################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '2.5% 1,6HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52913 1 3 '2D 1H-15N HSQC' . . . 52913 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.004627382 . 52913 1 na 'all 15N' . -0.0046260217641856 . 52913 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.536 . . . . . . . . 2 ALA H . 52913 1 2 . 1 . 1 2 2 ALA N N 15 125.765 . . . . . . . . 2 ALA N . 52913 1 3 . 1 . 1 3 3 SER H H 1 8.276 . . . . . . . . 3 SER H . 52913 1 4 . 1 . 1 3 3 SER N N 15 115.018 . . . . . . . . 3 SER N . 52913 1 5 . 1 . 1 4 4 ASN H H 1 8.399 . . . . . . . . 4 ASN H . 52913 1 6 . 1 . 1 4 4 ASN N N 15 120.285 . . . . . . . . 4 ASN N . 52913 1 7 . 1 . 1 5 5 ASP H H 1 8.144 . . . . . . . . 5 ASP H . 52913 1 8 . 1 . 1 5 5 ASP N N 15 120.095 . . . . . . . . 5 ASP N . 52913 1 9 . 1 . 1 6 6 TYR H H 1 8.166 . . . . . . . . 6 TYR H . 52913 1 10 . 1 . 1 6 6 TYR N N 15 120.965 . . . . . . . . 6 TYR N . 52913 1 11 . 1 . 1 7 7 THR H H 1 8.044 . . . . . . . . 7 THR H . 52913 1 12 . 1 . 1 7 7 THR N N 15 115.1 . . . . . . . . 7 THR N . 52913 1 13 . 1 . 1 8 8 GLN H H 1 8.189 . . . . . . . . 8 GLN H . 52913 1 14 . 1 . 1 8 8 GLN N N 15 122.046 . . . . . . . . 8 GLN N . 52913 1 15 . 1 . 1 9 9 GLN H H 1 8.259 . . . . . . . . 9 GLN H . 52913 1 16 . 1 . 1 9 9 GLN N N 15 121.055 . . . . . . . . 9 GLN N . 52913 1 17 . 1 . 1 10 10 ALA H H 1 8.334 . . . . . . . . 10 ALA H . 52913 1 18 . 1 . 1 10 10 ALA N N 15 124.897 . . . . . . . . 10 ALA N . 52913 1 19 . 1 . 1 11 11 THR H H 1 8.054 . . . . . . . . 11 THR H . 52913 1 20 . 1 . 1 11 11 THR N N 15 112.934 . . . . . . . . 11 THR N . 52913 1 21 . 1 . 1 12 12 GLN H H 1 8.279 . . . . . . . . 12 GLN H . 52913 1 22 . 1 . 1 12 12 GLN N N 15 122.239 . . . . . . . . 12 GLN N . 52913 1 23 . 1 . 1 13 13 SER H H 1 8.233 . . . . . . . . 13 SER H . 52913 1 24 . 1 . 1 13 13 SER N N 15 116.751 . . . . . . . . 13 SER N . 52913 1 25 . 1 . 1 14 14 TYR H H 1 8.189 . . . . . . . . 14 TYR H . 52913 1 26 . 1 . 1 14 14 TYR N N 15 122.069 . . . . . . . . 14 TYR N . 52913 1 27 . 1 . 1 15 15 GLY H H 1 8.21 . . . . . . . . 15 GLY H . 52913 1 28 . 1 . 1 15 15 GLY N N 15 110.341 . . . . . . . . 15 GLY N . 52913 1 29 . 1 . 1 16 16 ALA H H 1 7.93 . . . . . . . . 16 ALA H . 52913 1 30 . 1 . 1 16 16 ALA N N 15 123.256 . . . . . . . . 16 ALA N . 52913 1 31 . 1 . 1 17 17 TYR H H 1 8.046 . . . . . . . . 17 TYR H . 52913 1 32 . 1 . 1 17 17 TYR N N 15 120.078 . . . . . . . . 17 TYR N . 52913 1 33 . 1 . 1 19 19 THR H H 1 8.123 . . . . . . . . 19 THR H . 52913 1 34 . 1 . 1 19 19 THR N N 15 114.114 . . . . . . . . 19 THR N . 52913 1 35 . 1 . 1 20 20 GLN H H 1 8.285 . . . . . . . . 20 GLN H . 52913 1 36 . 1 . 1 20 20 GLN N N 15 123.177 . . . . . . . . 20 GLN N . 52913 1 37 . 1 . 1 22 22 GLY H H 1 8.487 . . . . . . . . 22 GLY H . 52913 1 38 . 1 . 1 22 22 GLY N N 15 109.5 . . . . . . . . 22 GLY N . 52913 1 39 . 1 . 1 23 23 GLN H H 1 8.148 . . . . . . . . 23 GLN H . 52913 1 40 . 1 . 1 23 23 GLN N N 15 119.409 . . . . . . . . 23 GLN N . 52913 1 41 . 1 . 1 24 24 GLY H H 1 8.416 . . . . . . . . 24 GLY H . 52913 1 42 . 1 . 1 24 24 GLY N N 15 109.72 . . . . . . . . 24 GLY N . 52913 1 43 . 1 . 1 25 25 TYR H H 1 8.041 . . . . . . . . 25 TYR H . 52913 1 44 . 1 . 1 25 25 TYR N N 15 120.073 . . . . . . . . 25 TYR N . 52913 1 45 . 1 . 1 26 26 SER H H 1 8.215 . . . . . . . . 26 SER H . 52913 1 46 . 1 . 1 26 26 SER N N 15 117.485 . . . . . . . . 26 SER N . 52913 1 47 . 1 . 1 27 27 GLN H H 1 8.354 . . . . . . . . 27 GLN H . 52913 1 48 . 1 . 1 27 27 GLN N N 15 122.208 . . . . . . . . 27 GLN N . 52913 1 49 . 1 . 1 28 28 GLN H H 1 8.356 . . . . . . . . 28 GLN H . 52913 1 50 . 1 . 1 28 28 GLN N N 15 120.998 . . . . . . . . 28 GLN N . 52913 1 51 . 1 . 1 29 29 SER H H 1 8.294 . . . . . . . . 29 SER H . 52913 1 52 . 1 . 1 29 29 SER N N 15 116.575 . . . . . . . . 29 SER N . 52913 1 53 . 1 . 1 30 30 SER H H 1 8.29 . . . . . . . . 30 SER H . 52913 1 54 . 1 . 1 30 30 SER N N 15 117.455 . . . . . . . . 30 SER N . 52913 1 55 . 1 . 1 31 31 GLN H H 1 8.223 . . . . . . . . 31 GLN H . 52913 1 56 . 1 . 1 31 31 GLN N N 15 122.295 . . . . . . . . 31 GLN N . 52913 1 57 . 1 . 1 33 33 TYR H H 1 8.151 . . . . . . . . 33 TYR H . 52913 1 58 . 1 . 1 33 33 TYR N N 15 119.996 . . . . . . . . 33 TYR N . 52913 1 59 . 1 . 1 34 34 GLY H H 1 8.199 . . . . . . . . 34 GLY H . 52913 1 60 . 1 . 1 34 34 GLY N N 15 110.53 . . . . . . . . 34 GLY N . 52913 1 61 . 1 . 1 35 35 GLN H H 1 8.136 . . . . . . . . 35 GLN H . 52913 1 62 . 1 . 1 35 35 GLN N N 15 119.688 . . . . . . . . 35 GLN N . 52913 1 63 . 1 . 1 36 36 GLN H H 1 8.419 . . . . . . . . 36 GLN H . 52913 1 64 . 1 . 1 36 36 GLN N N 15 121.3 . . . . . . . . 36 GLN N . 52913 1 65 . 1 . 1 37 37 SER H H 1 8.252 . . . . . . . . 37 SER H . 52913 1 66 . 1 . 1 37 37 SER N N 15 116.533 . . . . . . . . 37 SER N . 52913 1 67 . 1 . 1 38 38 TYR H H 1 8.217 . . . . . . . . 38 TYR H . 52913 1 68 . 1 . 1 38 38 TYR N N 15 122.222 . . . . . . . . 38 TYR N . 52913 1 69 . 1 . 1 39 39 SER H H 1 8.247 . . . . . . . . 39 SER H . 52913 1 70 . 1 . 1 39 39 SER N N 15 117.789 . . . . . . . . 39 SER N . 52913 1 71 . 1 . 1 40 40 GLY H H 1 7.815 . . . . . . . . 40 GLY H . 52913 1 72 . 1 . 1 40 40 GLY N N 15 110.102 . . . . . . . . 40 GLY N . 52913 1 73 . 1 . 1 41 41 TYR H H 1 7.963 . . . . . . . . 41 TYR H . 52913 1 74 . 1 . 1 41 41 TYR N N 15 119.945 . . . . . . . . 41 TYR N . 52913 1 75 . 1 . 1 42 42 SER H H 1 8.179 . . . . . . . . 42 SER H . 52913 1 76 . 1 . 1 42 42 SER N N 15 117.703 . . . . . . . . 42 SER N . 52913 1 77 . 1 . 1 43 43 GLN H H 1 8.335 . . . . . . . . 43 GLN H . 52913 1 78 . 1 . 1 43 43 GLN N N 15 122.228 . . . . . . . . 43 GLN N . 52913 1 79 . 1 . 1 44 44 SER H H 1 8.339 . . . . . . . . 44 SER H . 52913 1 80 . 1 . 1 44 44 SER N N 15 116.678 . . . . . . . . 44 SER N . 52913 1 81 . 1 . 1 45 45 THR H H 1 8.161 . . . . . . . . 45 THR H . 52913 1 82 . 1 . 1 45 45 THR N N 15 115.293 . . . . . . . . 45 THR N . 52913 1 83 . 1 . 1 46 46 ASP H H 1 8.315 . . . . . . . . 46 ASP H . 52913 1 84 . 1 . 1 46 46 ASP N N 15 122.629 . . . . . . . . 46 ASP N . 52913 1 85 . 1 . 1 47 47 THR H H 1 8.203 . . . . . . . . 47 THR H . 52913 1 86 . 1 . 1 47 47 THR N N 15 114.48 . . . . . . . . 47 THR N . 52913 1 87 . 1 . 1 48 48 SER H H 1 8.36 . . . . . . . . 48 SER H . 52913 1 88 . 1 . 1 48 48 SER N N 15 118.174 . . . . . . . . 48 SER N . 52913 1 89 . 1 . 1 49 49 GLY H H 1 8.312 . . . . . . . . 49 GLY H . 52913 1 90 . 1 . 1 49 49 GLY N N 15 110.283 . . . . . . . . 49 GLY N . 52913 1 91 . 1 . 1 50 50 TYR H H 1 8.044 . . . . . . . . 50 TYR H . 52913 1 92 . 1 . 1 50 50 TYR N N 15 120.1 . . . . . . . . 50 TYR N . 52913 1 93 . 1 . 1 51 51 GLY H H 1 8.352 . . . . . . . . 51 GLY H . 52913 1 94 . 1 . 1 51 51 GLY N N 15 110.68 . . . . . . . . 51 GLY N . 52913 1 95 . 1 . 1 52 52 GLN H H 1 8.143 . . . . . . . . 52 GLN H . 52913 1 96 . 1 . 1 52 52 GLN N N 15 119.691 . . . . . . . . 52 GLN N . 52913 1 97 . 1 . 1 53 53 SER H H 1 8.382 . . . . . . . . 53 SER H . 52913 1 98 . 1 . 1 53 53 SER N N 15 116.669 . . . . . . . . 53 SER N . 52913 1 99 . 1 . 1 54 54 SER H H 1 8.264 . . . . . . . . 54 SER H . 52913 1 100 . 1 . 1 54 54 SER N N 15 117.382 . . . . . . . . 54 SER N . 52913 1 101 . 1 . 1 55 55 TYR H H 1 8.109 . . . . . . . . 55 TYR H . 52913 1 102 . 1 . 1 55 55 TYR N N 15 121.729 . . . . . . . . 55 TYR N . 52913 1 103 . 1 . 1 56 56 SER H H 1 8.081 . . . . . . . . 56 SER H . 52913 1 104 . 1 . 1 56 56 SER N N 15 116.909 . . . . . . . . 56 SER N . 52913 1 105 . 1 . 1 57 57 SER H H 1 8.183 . . . . . . . . 57 SER H . 52913 1 106 . 1 . 1 57 57 SER N N 15 117.653 . . . . . . . . 57 SER N . 52913 1 107 . 1 . 1 58 58 TYR H H 1 8.104 . . . . . . . . 58 TYR H . 52913 1 108 . 1 . 1 58 58 TYR N N 15 121.788 . . . . . . . . 58 TYR N . 52913 1 109 . 1 . 1 59 59 GLY H H 1 8.241 . . . . . . . . 59 GLY H . 52913 1 110 . 1 . 1 59 59 GLY N N 15 110.393 . . . . . . . . 59 GLY N . 52913 1 111 . 1 . 1 60 60 GLN H H 1 8.103 . . . . . . . . 60 GLN H . 52913 1 112 . 1 . 1 60 60 GLN N N 15 119.588 . . . . . . . . 60 GLN N . 52913 1 113 . 1 . 1 61 61 SER H H 1 8.347 . . . . . . . . 61 SER H . 52913 1 114 . 1 . 1 61 61 SER N N 15 116.694 . . . . . . . . 61 SER N . 52913 1 115 . 1 . 1 62 62 GLN H H 1 8.398 . . . . . . . . 62 GLN H . 52913 1 116 . 1 . 1 62 62 GLN N N 15 121.515 . . . . . . . . 62 GLN N . 52913 1 117 . 1 . 1 63 63 ASN H H 1 8.429 . . . . . . . . 63 ASN H . 52913 1 118 . 1 . 1 63 63 ASN N N 15 119.543 . . . . . . . . 63 ASN N . 52913 1 119 . 1 . 1 64 64 THR H H 1 8.112 . . . . . . . . 64 THR H . 52913 1 120 . 1 . 1 64 64 THR N N 15 113.699 . . . . . . . . 64 THR N . 52913 1 121 . 1 . 1 65 65 GLY H H 1 8.322 . . . . . . . . 65 GLY H . 52913 1 122 . 1 . 1 65 65 GLY N N 15 110.508 . . . . . . . . 65 GLY N . 52913 1 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 1 124 . 1 . 1 67 67 GLY N N 15 110.739 . . . . . . . . 67 GLY N . 52913 1 125 . 1 . 1 68 68 THR H H 1 8.037 . . . . . . . . 68 THR H . 52913 1 126 . 1 . 1 68 68 THR N N 15 113.409 . . . . . . . . 68 THR N . 52913 1 127 . 1 . 1 69 69 GLN H H 1 8.439 . . . . . . . . 69 GLN H . 52913 1 128 . 1 . 1 69 69 GLN N N 15 122.294 . . . . . . . . 69 GLN N . 52913 1 129 . 1 . 1 70 70 SER H H 1 8.334 . . . . . . . . 70 SER H . 52913 1 130 . 1 . 1 70 70 SER N N 15 117.036 . . . . . . . . 70 SER N . 52913 1 131 . 1 . 1 71 71 THR H H 1 8.128 . . . . . . . . 71 THR H . 52913 1 132 . 1 . 1 71 71 THR N N 15 117.509 . . . . . . . . 71 THR N . 52913 1 133 . 1 . 1 73 73 GLN H H 1 8.424 . . . . . . . . 73 GLN H . 52913 1 134 . 1 . 1 73 73 GLN N N 15 120.342 . . . . . . . . 73 GLN N . 52913 1 135 . 1 . 1 74 74 GLY H H 1 8.311 . . . . . . . . 74 GLY H . 52913 1 136 . 1 . 1 74 74 GLY N N 15 109.818 . . . . . . . . 74 GLY N . 52913 1 137 . 1 . 1 75 75 TYR H H 1 8.076 . . . . . . . . 75 TYR H . 52913 1 138 . 1 . 1 75 75 TYR N N 15 120.183 . . . . . . . . 75 TYR N . 52913 1 139 . 1 . 1 76 76 GLY H H 1 8.362 . . . . . . . . 76 GLY H . 52913 1 140 . 1 . 1 76 76 GLY N N 15 110.798 . . . . . . . . 76 GLY N . 52913 1 141 . 1 . 1 77 77 SER H H 1 8.19 . . . . . . . . 77 SER H . 52913 1 142 . 1 . 1 77 77 SER N N 15 115.59 . . . . . . . . 77 SER N . 52913 1 143 . 1 . 1 78 78 THR H H 1 8.226 . . . . . . . . 78 THR H . 52913 1 144 . 1 . 1 78 78 THR N N 15 114.809 . . . . . . . . 78 THR N . 52913 1 145 . 1 . 1 79 79 GLY H H 1 8.319 . . . . . . . . 79 GLY H . 52913 1 146 . 1 . 1 79 79 GLY N N 15 110.677 . . . . . . . . 79 GLY N . 52913 1 147 . 1 . 1 80 80 GLY H H 1 8.149 . . . . . . . . 80 GLY H . 52913 1 148 . 1 . 1 80 80 GLY N N 15 108.327 . . . . . . . . 80 GLY N . 52913 1 149 . 1 . 1 81 81 TYR H H 1 8.131 . . . . . . . . 81 TYR H . 52913 1 150 . 1 . 1 81 81 TYR N N 15 120.184 . . . . . . . . 81 TYR N . 52913 1 151 . 1 . 1 82 82 GLY H H 1 8.37 . . . . . . . . 82 GLY H . 52913 1 152 . 1 . 1 82 82 GLY N N 15 110.867 . . . . . . . . 82 GLY N . 52913 1 153 . 1 . 1 83 83 SER H H 1 8.15 . . . . . . . . 83 SER H . 52913 1 154 . 1 . 1 83 83 SER N N 15 115.518 . . . . . . . . 83 SER N . 52913 1 155 . 1 . 1 84 84 SER H H 1 8.408 . . . . . . . . 84 SER H . 52913 1 156 . 1 . 1 84 84 SER N N 15 117.621 . . . . . . . . 84 SER N . 52913 1 157 . 1 . 1 85 85 GLN H H 1 8.378 . . . . . . . . 85 GLN H . 52913 1 158 . 1 . 1 85 85 GLN N N 15 121.83 . . . . . . . . 85 GLN N . 52913 1 159 . 1 . 1 86 86 SER H H 1 8.29 . . . . . . . . 86 SER H . 52913 1 160 . 1 . 1 86 86 SER N N 15 116.469 . . . . . . . . 86 SER N . 52913 1 161 . 1 . 1 87 87 SER H H 1 8.324 . . . . . . . . 87 SER H . 52913 1 162 . 1 . 1 87 87 SER N N 15 117.47 . . . . . . . . 87 SER N . 52913 1 163 . 1 . 1 88 88 GLN H H 1 8.33 . . . . . . . . 88 GLN H . 52913 1 164 . 1 . 1 88 88 GLN N N 15 121.762 . . . . . . . . 88 GLN N . 52913 1 165 . 1 . 1 89 89 SER H H 1 8.27 . . . . . . . . 89 SER H . 52913 1 166 . 1 . 1 89 89 SER N N 15 116.448 . . . . . . . . 89 SER N . 52913 1 167 . 1 . 1 90 90 SER H H 1 8.224 . . . . . . . . 90 SER H . 52913 1 168 . 1 . 1 90 90 SER N N 15 117.475 . . . . . . . . 90 SER N . 52913 1 169 . 1 . 1 91 91 TYR H H 1 8.134 . . . . . . . . 91 TYR H . 52913 1 170 . 1 . 1 91 91 TYR N N 15 121.823 . . . . . . . . 91 TYR N . 52913 1 171 . 1 . 1 92 92 GLY H H 1 8.243 . . . . . . . . 92 GLY H . 52913 1 172 . 1 . 1 92 92 GLY N N 15 110.328 . . . . . . . . 92 GLY N . 52913 1 173 . 1 . 1 93 93 GLN H H 1 8.143 . . . . . . . . 93 GLN H . 52913 1 174 . 1 . 1 93 93 GLN N N 15 119.629 . . . . . . . . 93 GLN N . 52913 1 175 . 1 . 1 95 95 SER H H 1 8.297 . . . . . . . . 95 SER H . 52913 1 176 . 1 . 1 95 95 SER N N 15 116.516 . . . . . . . . 95 SER N . 52913 1 177 . 1 . 1 96 96 SER H H 1 8.144 . . . . . . . . 96 SER H . 52913 1 178 . 1 . 1 96 96 SER N N 15 117.034 . . . . . . . . 96 SER N . 52913 1 179 . 1 . 1 97 97 TYR H H 1 8.087 . . . . . . . . 97 TYR H . 52913 1 180 . 1 . 1 97 97 TYR N N 15 122.713 . . . . . . . . 97 TYR N . 52913 1 181 . 1 . 1 99 99 GLY H H 1 7.914 . . . . . . . . 99 GLY H . 52913 1 182 . 1 . 1 99 99 GLY N N 15 108.6 . . . . . . . . 99 GLY N . 52913 1 183 . 1 . 1 100 100 TYR H H 1 7.92 . . . . . . . . 100 TYR H . 52913 1 184 . 1 . 1 100 100 TYR N N 15 120.035 . . . . . . . . 100 TYR N . 52913 1 185 . 1 . 1 101 101 GLY H H 1 8.348 . . . . . . . . 101 GLY H . 52913 1 186 . 1 . 1 101 101 GLY N N 15 111.04 . . . . . . . . 101 GLY N . 52913 1 187 . 1 . 1 102 102 GLN H H 1 8.085 . . . . . . . . 102 GLN H . 52913 1 188 . 1 . 1 102 102 GLN N N 15 119.516 . . . . . . . . 102 GLN N . 52913 1 189 . 1 . 1 103 103 GLN H H 1 8.403 . . . . . . . . 103 GLN H . 52913 1 190 . 1 . 1 103 103 GLN N N 15 122.636 . . . . . . . . 103 GLN N . 52913 1 191 . 1 . 1 105 105 ALA H H 1 8.362 . . . . . . . . 105 ALA H . 52913 1 192 . 1 . 1 105 105 ALA N N 15 125.502 . . . . . . . . 105 ALA N . 52913 1 193 . 1 . 1 107 107 SER H H 1 8.38 . . . . . . . . 107 SER H . 52913 1 194 . 1 . 1 107 107 SER N N 15 115.645 . . . . . . . . 107 SER N . 52913 1 195 . 1 . 1 108 108 SER H H 1 8.385 . . . . . . . . 108 SER H . 52913 1 196 . 1 . 1 108 108 SER N N 15 117.555 . . . . . . . . 108 SER N . 52913 1 197 . 1 . 1 109 109 THR H H 1 8.193 . . . . . . . . 109 THR H . 52913 1 198 . 1 . 1 109 109 THR N N 15 114.872 . . . . . . . . 109 THR N . 52913 1 199 . 1 . 1 110 110 SER H H 1 8.244 . . . . . . . . 110 SER H . 52913 1 200 . 1 . 1 110 110 SER N N 15 117.768 . . . . . . . . 110 SER N . 52913 1 201 . 1 . 1 111 111 GLY H H 1 8.349 . . . . . . . . 111 GLY H . 52913 1 202 . 1 . 1 111 111 GLY N N 15 110.709 . . . . . . . . 111 GLY N . 52913 1 203 . 1 . 1 112 112 SER H H 1 8.11 . . . . . . . . 112 SER H . 52913 1 204 . 1 . 1 112 112 SER N N 15 115.445 . . . . . . . . 112 SER N . 52913 1 205 . 1 . 1 113 113 TYR H H 1 8.253 . . . . . . . . 113 TYR H . 52913 1 206 . 1 . 1 113 113 TYR N N 15 122.227 . . . . . . . . 113 TYR N . 52913 1 207 . 1 . 1 114 114 GLY H H 1 8.288 . . . . . . . . 114 GLY H . 52913 1 208 . 1 . 1 114 114 GLY N N 15 110.606 . . . . . . . . 114 GLY N . 52913 1 209 . 1 . 1 115 115 SER H H 1 8.181 . . . . . . . . 115 SER H . 52913 1 210 . 1 . 1 115 115 SER N N 15 115.589 . . . . . . . . 115 SER N . 52913 1 211 . 1 . 1 116 116 SER H H 1 8.421 . . . . . . . . 116 SER H . 52913 1 212 . 1 . 1 116 116 SER N N 15 117.682 . . . . . . . . 116 SER N . 52913 1 213 . 1 . 1 117 117 SER H H 1 8.323 . . . . . . . . 117 SER H . 52913 1 214 . 1 . 1 117 117 SER N N 15 117.64 . . . . . . . . 117 SER N . 52913 1 215 . 1 . 1 118 118 GLN H H 1 8.323 . . . . . . . . 118 GLN H . 52913 1 216 . 1 . 1 118 118 GLN N N 15 121.828 . . . . . . . . 118 GLN N . 52913 1 217 . 1 . 1 119 119 SER H H 1 8.289 . . . . . . . . 119 SER H . 52913 1 218 . 1 . 1 119 119 SER N N 15 116.53 . . . . . . . . 119 SER N . 52913 1 219 . 1 . 1 120 120 SER H H 1 8.324 . . . . . . . . 120 SER H . 52913 1 220 . 1 . 1 120 120 SER N N 15 117.572 . . . . . . . . 120 SER N . 52913 1 221 . 1 . 1 121 121 SER H H 1 8.237 . . . . . . . . 121 SER H . 52913 1 222 . 1 . 1 121 121 SER N N 15 117.378 . . . . . . . . 121 SER N . 52913 1 223 . 1 . 1 122 122 TYR H H 1 8.081 . . . . . . . . 122 TYR H . 52913 1 224 . 1 . 1 122 122 TYR N N 15 121.867 . . . . . . . . 122 TYR N . 52913 1 225 . 1 . 1 123 123 GLY H H 1 8.22 . . . . . . . . 123 GLY H . 52913 1 226 . 1 . 1 123 123 GLY N N 15 110.591 . . . . . . . . 123 GLY N . 52913 1 227 . 1 . 1 124 124 GLN H H 1 8.063 . . . . . . . . 124 GLN H . 52913 1 228 . 1 . 1 124 124 GLN N N 15 120.442 . . . . . . . . 124 GLN N . 52913 1 229 . 1 . 1 126 126 GLN H H 1 8.55 . . . . . . . . 126 GLN H . 52913 1 230 . 1 . 1 126 126 GLN N N 15 120.646 . . . . . . . . 126 GLN N . 52913 1 231 . 1 . 1 127 127 SER H H 1 8.353 . . . . . . . . 127 SER H . 52913 1 232 . 1 . 1 127 127 SER N N 15 116.76 . . . . . . . . 127 SER N . 52913 1 233 . 1 . 1 128 128 GLY H H 1 8.413 . . . . . . . . 128 GLY H . 52913 1 234 . 1 . 1 128 128 GLY N N 15 110.731 . . . . . . . . 128 GLY N . 52913 1 235 . 1 . 1 129 129 SER H H 1 8.118 . . . . . . . . 129 SER H . 52913 1 236 . 1 . 1 129 129 SER N N 15 115.403 . . . . . . . . 129 SER N . 52913 1 237 . 1 . 1 131 131 SER H H 1 8.113 . . . . . . . . 131 SER H . 52913 1 238 . 1 . 1 131 131 SER N N 15 117.004 . . . . . . . . 131 SER N . 52913 1 239 . 1 . 1 132 132 GLN H H 1 8.237 . . . . . . . . 132 GLN H . 52913 1 240 . 1 . 1 132 132 GLN N N 15 121.841 . . . . . . . . 132 GLN N . 52913 1 241 . 1 . 1 133 133 GLN H H 1 8.308 . . . . . . . . 133 GLN H . 52913 1 242 . 1 . 1 133 133 GLN N N 15 122.41 . . . . . . . . 133 GLN N . 52913 1 243 . 1 . 1 135 135 SER H H 1 8.281 . . . . . . . . 135 SER H . 52913 1 244 . 1 . 1 135 135 SER N N 15 115.501 . . . . . . . . 135 SER N . 52913 1 245 . 1 . 1 136 136 TYR H H 1 8.19 . . . . . . . . 136 TYR H . 52913 1 246 . 1 . 1 136 136 TYR N N 15 122.062 . . . . . . . . 136 TYR N . 52913 1 247 . 1 . 1 137 137 GLY H H 1 8.338 . . . . . . . . 137 GLY H . 52913 1 248 . 1 . 1 137 137 GLY N N 15 110.762 . . . . . . . . 137 GLY N . 52913 1 249 . 1 . 1 138 138 GLY H H 1 7.951 . . . . . . . . 138 GLY H . 52913 1 250 . 1 . 1 138 138 GLY N N 15 108.258 . . . . . . . . 138 GLY N . 52913 1 251 . 1 . 1 139 139 GLN H H 1 8.268 . . . . . . . . 139 GLN H . 52913 1 252 . 1 . 1 139 139 GLN N N 15 119.662 . . . . . . . . 139 GLN N . 52913 1 253 . 1 . 1 140 140 GLN H H 1 8.464 . . . . . . . . 140 GLN H . 52913 1 254 . 1 . 1 140 140 GLN N N 15 121.415 . . . . . . . . 140 GLN N . 52913 1 255 . 1 . 1 141 141 GLN H H 1 8.402 . . . . . . . . 141 GLN H . 52913 1 256 . 1 . 1 141 141 GLN N N 15 121.401 . . . . . . . . 141 GLN N . 52913 1 257 . 1 . 1 142 142 SER H H 1 8.253 . . . . . . . . 142 SER H . 52913 1 258 . 1 . 1 142 142 SER N N 15 116.606 . . . . . . . . 142 SER N . 52913 1 259 . 1 . 1 143 143 TYR H H 1 8.221 . . . . . . . . 143 TYR H . 52913 1 260 . 1 . 1 143 143 TYR N N 15 122.076 . . . . . . . . 143 TYR N . 52913 1 261 . 1 . 1 144 144 GLY H H 1 8.311 . . . . . . . . 144 GLY H . 52913 1 262 . 1 . 1 144 144 GLY N N 15 110.224 . . . . . . . . 144 GLY N . 52913 1 263 . 1 . 1 145 145 GLN H H 1 8.171 . . . . . . . . 145 GLN H . 52913 1 264 . 1 . 1 145 145 GLN N N 15 119.698 . . . . . . . . 145 GLN N . 52913 1 265 . 1 . 1 146 146 GLN H H 1 8.444 . . . . . . . . 146 GLN H . 52913 1 266 . 1 . 1 146 146 GLN N N 15 121.299 . . . . . . . . 146 GLN N . 52913 1 267 . 1 . 1 147 147 GLN H H 1 8.412 . . . . . . . . 147 GLN H . 52913 1 268 . 1 . 1 147 147 GLN N N 15 121.376 . . . . . . . . 147 GLN N . 52913 1 269 . 1 . 1 148 148 SER H H 1 8.256 . . . . . . . . 148 SER H . 52913 1 270 . 1 . 1 148 148 SER N N 15 116.668 . . . . . . . . 148 SER N . 52913 1 271 . 1 . 1 149 149 TYR H H 1 8.188 . . . . . . . . 149 TYR H . 52913 1 272 . 1 . 1 149 149 TYR N N 15 122.333 . . . . . . . . 149 TYR N . 52913 1 273 . 1 . 1 150 150 ASN H H 1 8.209 . . . . . . . . 150 ASN H . 52913 1 274 . 1 . 1 150 150 ASN N N 15 123.088 . . . . . . . . 150 ASN N . 52913 1 275 . 1 . 1 153 153 GLN H H 1 8.443 . . . . . . . . 153 GLN H . 52913 1 276 . 1 . 1 153 153 GLN N N 15 119.98 . . . . . . . . 153 GLN N . 52913 1 277 . 1 . 1 154 154 GLY H H 1 8.341 . . . . . . . . 154 GLY H . 52913 1 278 . 1 . 1 154 154 GLY N N 15 109.95 . . . . . . . . 154 GLY N . 52913 1 279 . 1 . 1 155 155 TYR H H 1 8.108 . . . . . . . . 155 TYR H . 52913 1 280 . 1 . 1 155 155 TYR N N 15 120.025 . . . . . . . . 155 TYR N . 52913 1 281 . 1 . 1 156 156 GLY H H 1 8.391 . . . . . . . . 156 GLY H . 52913 1 282 . 1 . 1 156 156 GLY N N 15 110.823 . . . . . . . . 156 GLY N . 52913 1 283 . 1 . 1 157 157 GLN H H 1 8.169 . . . . . . . . 157 GLN H . 52913 1 284 . 1 . 1 157 157 GLN N N 15 119.632 . . . . . . . . 157 GLN N . 52913 1 285 . 1 . 1 158 158 GLN H H 1 8.465 . . . . . . . . 158 GLN H . 52913 1 286 . 1 . 1 158 158 GLN N N 15 120.973 . . . . . . . . 158 GLN N . 52913 1 287 . 1 . 1 159 159 ASN H H 1 8.434 . . . . . . . . 159 ASN H . 52913 1 288 . 1 . 1 159 159 ASN N N 15 119.499 . . . . . . . . 159 ASN N . 52913 1 289 . 1 . 1 160 160 GLN H H 1 8.289 . . . . . . . . 160 GLN H . 52913 1 290 . 1 . 1 160 160 GLN N N 15 120.118 . . . . . . . . 160 GLN N . 52913 1 291 . 1 . 1 161 161 TYR H H 1 8.191 . . . . . . . . 161 TYR H . 52913 1 292 . 1 . 1 161 161 TYR N N 15 120.439 . . . . . . . . 161 TYR N . 52913 1 293 . 1 . 1 162 162 ASN H H 1 8.275 . . . . . . . . 162 ASN H . 52913 1 294 . 1 . 1 162 162 ASN N N 15 120.462 . . . . . . . . 162 ASN N . 52913 1 295 . 1 . 1 163 163 SER H H 1 7.835 . . . . . . . . 163 SER H . 52913 1 296 . 1 . 1 163 163 SER N N 15 121.319 . . . . . . . . 163 SER N . 52913 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '5% 1,6HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52913 2 2 '2D 1H-15N HSQC' . . . 52913 2 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0083450391971865 . 52913 2 na 'all 15N' . -0.0083450390699203 . 52913 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.533 . . . . . . . . 2 ALA H . 52913 2 2 . 1 . 1 2 2 ALA N N 15 125.719 . . . . . . . . 2 ALA N . 52913 2 3 . 1 . 1 3 3 SER H H 1 8.268 . . . . . . . . 3 SER H . 52913 2 4 . 1 . 1 3 3 SER N N 15 114.962 . . . . . . . . 3 SER N . 52913 2 5 . 1 . 1 4 4 ASN H H 1 8.395 . . . . . . . . 4 ASN H . 52913 2 6 . 1 . 1 4 4 ASN N N 15 120.251 . . . . . . . . 4 ASN N . 52913 2 7 . 1 . 1 5 5 ASP H H 1 8.141 . . . . . . . . 5 ASP H . 52913 2 8 . 1 . 1 5 5 ASP N N 15 120.044 . . . . . . . . 5 ASP N . 52913 2 9 . 1 . 1 6 6 TYR H H 1 8.163 . . . . . . . . 6 TYR H . 52913 2 10 . 1 . 1 6 6 TYR N N 15 120.916 . . . . . . . . 6 TYR N . 52913 2 11 . 1 . 1 7 7 THR H H 1 8.038 . . . . . . . . 7 THR H . 52913 2 12 . 1 . 1 7 7 THR N N 15 114.99 . . . . . . . . 7 THR N . 52913 2 13 . 1 . 1 8 8 GLN H H 1 8.185 . . . . . . . . 8 GLN H . 52913 2 14 . 1 . 1 8 8 GLN N N 15 122.006 . . . . . . . . 8 GLN N . 52913 2 15 . 1 . 1 9 9 GLN H H 1 8.252 . . . . . . . . 9 GLN H . 52913 2 16 . 1 . 1 9 9 GLN N N 15 120.976 . . . . . . . . 9 GLN N . 52913 2 17 . 1 . 1 10 10 ALA H H 1 8.329 . . . . . . . . 10 ALA H . 52913 2 18 . 1 . 1 10 10 ALA N N 15 124.819 . . . . . . . . 10 ALA N . 52913 2 19 . 1 . 1 11 11 THR H H 1 8.043 . . . . . . . . 11 THR H . 52913 2 20 . 1 . 1 11 11 THR N N 15 112.861 . . . . . . . . 11 THR N . 52913 2 21 . 1 . 1 12 12 GLN H H 1 8.268 . . . . . . . . 12 GLN H . 52913 2 22 . 1 . 1 12 12 GLN N N 15 122.178 . . . . . . . . 12 GLN N . 52913 2 23 . 1 . 1 13 13 SER H H 1 8.224 . . . . . . . . 13 SER H . 52913 2 24 . 1 . 1 13 13 SER N N 15 116.685 . . . . . . . . 13 SER N . 52913 2 25 . 1 . 1 14 14 TYR H H 1 8.185 . . . . . . . . 14 TYR H . 52913 2 26 . 1 . 1 14 14 TYR N N 15 122.029 . . . . . . . . 14 TYR N . 52913 2 27 . 1 . 1 15 15 GLY H H 1 8.208 . . . . . . . . 15 GLY H . 52913 2 28 . 1 . 1 15 15 GLY N N 15 110.276 . . . . . . . . 15 GLY N . 52913 2 29 . 1 . 1 16 16 ALA H H 1 7.925 . . . . . . . . 16 ALA H . 52913 2 30 . 1 . 1 16 16 ALA N N 15 123.206 . . . . . . . . 16 ALA N . 52913 2 31 . 1 . 1 17 17 TYR H H 1 8.042 . . . . . . . . 17 TYR H . 52913 2 32 . 1 . 1 17 17 TYR N N 15 120.049 . . . . . . . . 17 TYR N . 52913 2 33 . 1 . 1 19 19 THR H H 1 8.113 . . . . . . . . 19 THR H . 52913 2 34 . 1 . 1 19 19 THR N N 15 114.075 . . . . . . . . 19 THR N . 52913 2 35 . 1 . 1 20 20 GLN H H 1 8.281 . . . . . . . . 20 GLN H . 52913 2 36 . 1 . 1 20 20 GLN N N 15 123.128 . . . . . . . . 20 GLN N . 52913 2 37 . 1 . 1 22 22 GLY H H 1 8.487 . . . . . . . . 22 GLY H . 52913 2 38 . 1 . 1 22 22 GLY N N 15 109.47 . . . . . . . . 22 GLY N . 52913 2 39 . 1 . 1 23 23 GLN H H 1 8.144 . . . . . . . . 23 GLN H . 52913 2 40 . 1 . 1 23 23 GLN N N 15 119.372 . . . . . . . . 23 GLN N . 52913 2 41 . 1 . 1 24 24 GLY H H 1 8.414 . . . . . . . . 24 GLY H . 52913 2 42 . 1 . 1 24 24 GLY N N 15 109.668 . . . . . . . . 24 GLY N . 52913 2 43 . 1 . 1 25 25 TYR H H 1 8.039 . . . . . . . . 25 TYR H . 52913 2 44 . 1 . 1 25 25 TYR N N 15 120.054 . . . . . . . . 25 TYR N . 52913 2 45 . 1 . 1 26 26 SER H H 1 8.211 . . . . . . . . 26 SER H . 52913 2 46 . 1 . 1 26 26 SER N N 15 117.448 . . . . . . . . 26 SER N . 52913 2 47 . 1 . 1 27 27 GLN H H 1 8.354 . . . . . . . . 27 GLN H . 52913 2 48 . 1 . 1 27 27 GLN N N 15 122.173 . . . . . . . . 27 GLN N . 52913 2 49 . 1 . 1 28 28 GLN H H 1 8.353 . . . . . . . . 28 GLN H . 52913 2 50 . 1 . 1 28 28 GLN N N 15 120.966 . . . . . . . . 28 GLN N . 52913 2 51 . 1 . 1 29 29 SER H H 1 8.29 . . . . . . . . 29 SER H . 52913 2 52 . 1 . 1 29 29 SER N N 15 116.535 . . . . . . . . 29 SER N . 52913 2 53 . 1 . 1 30 30 SER H H 1 8.285 . . . . . . . . 30 SER H . 52913 2 54 . 1 . 1 30 30 SER N N 15 117.407 . . . . . . . . 30 SER N . 52913 2 55 . 1 . 1 31 31 GLN H H 1 8.219 . . . . . . . . 31 GLN H . 52913 2 56 . 1 . 1 31 31 GLN N N 15 122.255 . . . . . . . . 31 GLN N . 52913 2 57 . 1 . 1 33 33 TYR H H 1 8.145 . . . . . . . . 33 TYR H . 52913 2 58 . 1 . 1 33 33 TYR N N 15 119.902 . . . . . . . . 33 TYR N . 52913 2 59 . 1 . 1 34 34 GLY H H 1 8.196 . . . . . . . . 34 GLY H . 52913 2 60 . 1 . 1 34 34 GLY N N 15 110.486 . . . . . . . . 34 GLY N . 52913 2 61 . 1 . 1 35 35 GLN H H 1 8.136 . . . . . . . . 35 GLN H . 52913 2 62 . 1 . 1 35 35 GLN N N 15 119.648 . . . . . . . . 35 GLN N . 52913 2 63 . 1 . 1 36 36 GLN H H 1 8.421 . . . . . . . . 36 GLN H . 52913 2 64 . 1 . 1 36 36 GLN N N 15 121.245 . . . . . . . . 36 GLN N . 52913 2 65 . 1 . 1 37 37 SER H H 1 8.248 . . . . . . . . 37 SER H . 52913 2 66 . 1 . 1 37 37 SER N N 15 116.493 . . . . . . . . 37 SER N . 52913 2 67 . 1 . 1 38 38 TYR H H 1 8.216 . . . . . . . . 38 TYR H . 52913 2 68 . 1 . 1 38 38 TYR N N 15 122.175 . . . . . . . . 38 TYR N . 52913 2 69 . 1 . 1 39 39 SER H H 1 8.241 . . . . . . . . 39 SER H . 52913 2 70 . 1 . 1 39 39 SER N N 15 117.74 . . . . . . . . 39 SER N . 52913 2 71 . 1 . 1 40 40 GLY H H 1 7.817 . . . . . . . . 40 GLY H . 52913 2 72 . 1 . 1 40 40 GLY N N 15 110.052 . . . . . . . . 40 GLY N . 52913 2 73 . 1 . 1 41 41 TYR H H 1 7.96 . . . . . . . . 41 TYR H . 52913 2 74 . 1 . 1 41 41 TYR N N 15 119.899 . . . . . . . . 41 TYR N . 52913 2 75 . 1 . 1 42 42 SER H H 1 8.175 . . . . . . . . 42 SER H . 52913 2 76 . 1 . 1 42 42 SER N N 15 117.663 . . . . . . . . 42 SER N . 52913 2 77 . 1 . 1 43 43 GLN H H 1 8.335 . . . . . . . . 43 GLN H . 52913 2 78 . 1 . 1 43 43 GLN N N 15 122.194 . . . . . . . . 43 GLN N . 52913 2 79 . 1 . 1 44 44 SER H H 1 8.333 . . . . . . . . 44 SER H . 52913 2 80 . 1 . 1 44 44 SER N N 15 116.634 . . . . . . . . 44 SER N . 52913 2 81 . 1 . 1 45 45 THR H H 1 8.154 . . . . . . . . 45 THR H . 52913 2 82 . 1 . 1 45 45 THR N N 15 115.277 . . . . . . . . 45 THR N . 52913 2 83 . 1 . 1 46 46 ASP H H 1 8.311 . . . . . . . . 46 ASP H . 52913 2 84 . 1 . 1 46 46 ASP N N 15 122.62 . . . . . . . . 46 ASP N . 52913 2 85 . 1 . 1 47 47 THR H H 1 8.197 . . . . . . . . 47 THR H . 52913 2 86 . 1 . 1 47 47 THR N N 15 114.465 . . . . . . . . 47 THR N . 52913 2 87 . 1 . 1 48 48 SER H H 1 8.358 . . . . . . . . 48 SER H . 52913 2 88 . 1 . 1 48 48 SER N N 15 118.159 . . . . . . . . 48 SER N . 52913 2 89 . 1 . 1 49 49 GLY H H 1 8.308 . . . . . . . . 49 GLY H . 52913 2 90 . 1 . 1 49 49 GLY N N 15 110.243 . . . . . . . . 49 GLY N . 52913 2 91 . 1 . 1 50 50 TYR H H 1 8.043 . . . . . . . . 50 TYR H . 52913 2 92 . 1 . 1 50 50 TYR N N 15 120.062 . . . . . . . . 50 TYR N . 52913 2 93 . 1 . 1 51 51 GLY H H 1 8.351 . . . . . . . . 51 GLY H . 52913 2 94 . 1 . 1 51 51 GLY N N 15 110.628 . . . . . . . . 51 GLY N . 52913 2 95 . 1 . 1 52 52 GLN H H 1 8.138 . . . . . . . . 52 GLN H . 52913 2 96 . 1 . 1 52 52 GLN N N 15 119.655 . . . . . . . . 52 GLN N . 52913 2 97 . 1 . 1 53 53 SER H H 1 8.377 . . . . . . . . 53 SER H . 52913 2 98 . 1 . 1 53 53 SER N N 15 116.62 . . . . . . . . 53 SER N . 52913 2 99 . 1 . 1 54 54 SER H H 1 8.262 . . . . . . . . 54 SER H . 52913 2 100 . 1 . 1 54 54 SER N N 15 117.363 . . . . . . . . 54 SER N . 52913 2 101 . 1 . 1 55 55 TYR H H 1 8.107 . . . . . . . . 55 TYR H . 52913 2 102 . 1 . 1 55 55 TYR N N 15 121.698 . . . . . . . . 55 TYR N . 52913 2 103 . 1 . 1 56 56 SER H H 1 8.076 . . . . . . . . 56 SER H . 52913 2 104 . 1 . 1 56 56 SER N N 15 116.84 . . . . . . . . 56 SER N . 52913 2 105 . 1 . 1 57 57 SER H H 1 8.179 . . . . . . . . 57 SER H . 52913 2 106 . 1 . 1 57 57 SER N N 15 117.613 . . . . . . . . 57 SER N . 52913 2 107 . 1 . 1 58 58 TYR H H 1 8.098 . . . . . . . . 58 TYR H . 52913 2 108 . 1 . 1 58 58 TYR N N 15 121.746 . . . . . . . . 58 TYR N . 52913 2 109 . 1 . 1 59 59 GLY H H 1 8.237 . . . . . . . . 59 GLY H . 52913 2 110 . 1 . 1 59 59 GLY N N 15 110.353 . . . . . . . . 59 GLY N . 52913 2 111 . 1 . 1 60 60 GLN H H 1 8.099 . . . . . . . . 60 GLN H . 52913 2 112 . 1 . 1 60 60 GLN N N 15 119.561 . . . . . . . . 60 GLN N . 52913 2 113 . 1 . 1 61 61 SER H H 1 8.34 . . . . . . . . 61 SER H . 52913 2 114 . 1 . 1 61 61 SER N N 15 116.658 . . . . . . . . 61 SER N . 52913 2 115 . 1 . 1 62 62 GLN H H 1 8.394 . . . . . . . . 62 GLN H . 52913 2 116 . 1 . 1 62 62 GLN N N 15 121.509 . . . . . . . . 62 GLN N . 52913 2 117 . 1 . 1 63 63 ASN H H 1 8.425 . . . . . . . . 63 ASN H . 52913 2 118 . 1 . 1 63 63 ASN N N 15 119.503 . . . . . . . . 63 ASN N . 52913 2 119 . 1 . 1 64 64 THR H H 1 8.103 . . . . . . . . 64 THR H . 52913 2 120 . 1 . 1 64 64 THR N N 15 113.652 . . . . . . . . 64 THR N . 52913 2 121 . 1 . 1 65 65 GLY H H 1 8.319 . . . . . . . . 65 GLY H . 52913 2 122 . 1 . 1 65 65 GLY N N 15 110.449 . . . . . . . . 65 GLY N . 52913 2 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 2 124 . 1 . 1 67 67 GLY N N 15 110.691 . . . . . . . . 67 GLY N . 52913 2 125 . 1 . 1 68 68 THR H H 1 8.031 . . . . . . . . 68 THR H . 52913 2 126 . 1 . 1 68 68 THR N N 15 113.378 . . . . . . . . 68 THR N . 52913 2 127 . 1 . 1 69 69 GLN H H 1 8.438 . . . . . . . . 69 GLN H . 52913 2 128 . 1 . 1 69 69 GLN N N 15 122.251 . . . . . . . . 69 GLN N . 52913 2 129 . 1 . 1 70 70 SER H H 1 8.326 . . . . . . . . 70 SER H . 52913 2 130 . 1 . 1 70 70 SER N N 15 117.001 . . . . . . . . 70 SER N . 52913 2 131 . 1 . 1 71 71 THR H H 1 8.124 . . . . . . . . 71 THR H . 52913 2 132 . 1 . 1 71 71 THR N N 15 117.475 . . . . . . . . 71 THR N . 52913 2 133 . 1 . 1 73 73 GLN H H 1 8.422 . . . . . . . . 73 GLN H . 52913 2 134 . 1 . 1 73 73 GLN N N 15 120.303 . . . . . . . . 73 GLN N . 52913 2 135 . 1 . 1 74 74 GLY H H 1 8.309 . . . . . . . . 74 GLY H . 52913 2 136 . 1 . 1 74 74 GLY N N 15 109.78 . . . . . . . . 74 GLY N . 52913 2 137 . 1 . 1 75 75 TYR H H 1 8.077 . . . . . . . . 75 TYR H . 52913 2 138 . 1 . 1 75 75 TYR N N 15 120.147 . . . . . . . . 75 TYR N . 52913 2 139 . 1 . 1 76 76 GLY H H 1 8.358 . . . . . . . . 76 GLY H . 52913 2 140 . 1 . 1 76 76 GLY N N 15 110.758 . . . . . . . . 76 GLY N . 52913 2 141 . 1 . 1 77 77 SER H H 1 8.186 . . . . . . . . 77 SER H . 52913 2 142 . 1 . 1 77 77 SER N N 15 115.55 . . . . . . . . 77 SER N . 52913 2 143 . 1 . 1 78 78 THR H H 1 8.219 . . . . . . . . 78 THR H . 52913 2 144 . 1 . 1 78 78 THR N N 15 114.778 . . . . . . . . 78 THR N . 52913 2 145 . 1 . 1 79 79 GLY H H 1 8.319 . . . . . . . . 79 GLY H . 52913 2 146 . 1 . 1 79 79 GLY N N 15 110.663 . . . . . . . . 79 GLY N . 52913 2 147 . 1 . 1 80 80 GLY H H 1 8.15 . . . . . . . . 80 GLY H . 52913 2 148 . 1 . 1 80 80 GLY N N 15 108.3 . . . . . . . . 80 GLY N . 52913 2 149 . 1 . 1 81 81 TYR H H 1 8.134 . . . . . . . . 81 TYR H . 52913 2 150 . 1 . 1 81 81 TYR N N 15 120.138 . . . . . . . . 81 TYR N . 52913 2 151 . 1 . 1 82 82 GLY H H 1 8.37 . . . . . . . . 82 GLY H . 52913 2 152 . 1 . 1 82 82 GLY N N 15 110.832 . . . . . . . . 82 GLY N . 52913 2 153 . 1 . 1 83 83 SER H H 1 8.145 . . . . . . . . 83 SER H . 52913 2 154 . 1 . 1 83 83 SER N N 15 115.495 . . . . . . . . 83 SER N . 52913 2 155 . 1 . 1 84 84 SER H H 1 8.404 . . . . . . . . 84 SER H . 52913 2 156 . 1 . 1 84 84 SER N N 15 117.606 . . . . . . . . 84 SER N . 52913 2 157 . 1 . 1 85 85 GLN H H 1 8.375 . . . . . . . . 85 GLN H . 52913 2 158 . 1 . 1 85 85 GLN N N 15 121.792 . . . . . . . . 85 GLN N . 52913 2 159 . 1 . 1 86 86 SER H H 1 8.286 . . . . . . . . 86 SER H . 52913 2 160 . 1 . 1 86 86 SER N N 15 116.429 . . . . . . . . 86 SER N . 52913 2 161 . 1 . 1 87 87 SER H H 1 8.32 . . . . . . . . 87 SER H . 52913 2 162 . 1 . 1 87 87 SER N N 15 117.43 . . . . . . . . 87 SER N . 52913 2 163 . 1 . 1 88 88 GLN H H 1 8.326 . . . . . . . . 88 GLN H . 52913 2 164 . 1 . 1 88 88 GLN N N 15 121.722 . . . . . . . . 88 GLN N . 52913 2 165 . 1 . 1 89 89 SER H H 1 8.261 . . . . . . . . 89 SER H . 52913 2 166 . 1 . 1 89 89 SER N N 15 116.405 . . . . . . . . 89 SER N . 52913 2 167 . 1 . 1 90 90 SER H H 1 8.223 . . . . . . . . 90 SER H . 52913 2 168 . 1 . 1 90 90 SER N N 15 117.458 . . . . . . . . 90 SER N . 52913 2 169 . 1 . 1 91 91 TYR H H 1 8.131 . . . . . . . . 91 TYR H . 52913 2 170 . 1 . 1 91 91 TYR N N 15 121.771 . . . . . . . . 91 TYR N . 52913 2 171 . 1 . 1 92 92 GLY H H 1 8.239 . . . . . . . . 92 GLY H . 52913 2 172 . 1 . 1 92 92 GLY N N 15 110.288 . . . . . . . . 92 GLY N . 52913 2 173 . 1 . 1 93 93 GLN H H 1 8.137 . . . . . . . . 93 GLN H . 52913 2 174 . 1 . 1 93 93 GLN N N 15 119.607 . . . . . . . . 93 GLN N . 52913 2 175 . 1 . 1 95 95 SER H H 1 8.293 . . . . . . . . 95 SER H . 52913 2 176 . 1 . 1 95 95 SER N N 15 116.476 . . . . . . . . 95 SER N . 52913 2 177 . 1 . 1 96 96 SER H H 1 8.14 . . . . . . . . 96 SER H . 52913 2 178 . 1 . 1 96 96 SER N N 15 117.011 . . . . . . . . 96 SER N . 52913 2 179 . 1 . 1 97 97 TYR H H 1 8.091 . . . . . . . . 97 TYR H . 52913 2 180 . 1 . 1 97 97 TYR N N 15 122.687 . . . . . . . . 97 TYR N . 52913 2 181 . 1 . 1 99 99 GLY H H 1 7.923 . . . . . . . . 99 GLY H . 52913 2 182 . 1 . 1 99 99 GLY N N 15 108.575 . . . . . . . . 99 GLY N . 52913 2 183 . 1 . 1 100 100 TYR H H 1 7.923 . . . . . . . . 100 TYR H . 52913 2 184 . 1 . 1 100 100 TYR N N 15 120.01 . . . . . . . . 100 TYR N . 52913 2 185 . 1 . 1 101 101 GLY H H 1 8.349 . . . . . . . . 101 GLY H . 52913 2 186 . 1 . 1 101 101 GLY N N 15 110.995 . . . . . . . . 101 GLY N . 52913 2 187 . 1 . 1 102 102 GLN H H 1 8.082 . . . . . . . . 102 GLN H . 52913 2 188 . 1 . 1 102 102 GLN N N 15 119.492 . . . . . . . . 102 GLN N . 52913 2 189 . 1 . 1 103 103 GLN H H 1 8.402 . . . . . . . . 103 GLN H . 52913 2 190 . 1 . 1 103 103 GLN N N 15 122.618 . . . . . . . . 103 GLN N . 52913 2 191 . 1 . 1 105 105 ALA H H 1 8.358 . . . . . . . . 105 ALA H . 52913 2 192 . 1 . 1 105 105 ALA N N 15 125.446 . . . . . . . . 105 ALA N . 52913 2 193 . 1 . 1 107 107 SER H H 1 8.374 . . . . . . . . 107 SER H . 52913 2 194 . 1 . 1 107 107 SER N N 15 115.597 . . . . . . . . 107 SER N . 52913 2 195 . 1 . 1 108 108 SER H H 1 8.385 . . . . . . . . 108 SER H . 52913 2 196 . 1 . 1 108 108 SER N N 15 117.536 . . . . . . . . 108 SER N . 52913 2 197 . 1 . 1 109 109 THR H H 1 8.189 . . . . . . . . 109 THR H . 52913 2 198 . 1 . 1 109 109 THR N N 15 114.832 . . . . . . . . 109 THR N . 52913 2 199 . 1 . 1 110 110 SER H H 1 8.237 . . . . . . . . 110 SER H . 52913 2 200 . 1 . 1 110 110 SER N N 15 117.709 . . . . . . . . 110 SER N . 52913 2 201 . 1 . 1 111 111 GLY H H 1 8.348 . . . . . . . . 111 GLY H . 52913 2 202 . 1 . 1 111 111 GLY N N 15 110.665 . . . . . . . . 111 GLY N . 52913 2 203 . 1 . 1 112 112 SER H H 1 8.102 . . . . . . . . 112 SER H . 52913 2 204 . 1 . 1 112 112 SER N N 15 115.428 . . . . . . . . 112 SER N . 52913 2 205 . 1 . 1 113 113 TYR H H 1 8.249 . . . . . . . . 113 TYR H . 52913 2 206 . 1 . 1 113 113 TYR N N 15 122.187 . . . . . . . . 113 TYR N . 52913 2 207 . 1 . 1 114 114 GLY H H 1 8.285 . . . . . . . . 114 GLY H . 52913 2 208 . 1 . 1 114 114 GLY N N 15 110.575 . . . . . . . . 114 GLY N . 52913 2 209 . 1 . 1 115 115 SER H H 1 8.176 . . . . . . . . 115 SER H . 52913 2 210 . 1 . 1 115 115 SER N N 15 115.554 . . . . . . . . 115 SER N . 52913 2 211 . 1 . 1 116 116 SER H H 1 8.414 . . . . . . . . 116 SER H . 52913 2 212 . 1 . 1 116 116 SER N N 15 117.629 . . . . . . . . 116 SER N . 52913 2 213 . 1 . 1 117 117 SER H H 1 8.317 . . . . . . . . 117 SER H . 52913 2 214 . 1 . 1 117 117 SER N N 15 117.615 . . . . . . . . 117 SER N . 52913 2 215 . 1 . 1 118 118 GLN H H 1 8.319 . . . . . . . . 118 GLN H . 52913 2 216 . 1 . 1 118 118 GLN N N 15 121.788 . . . . . . . . 118 GLN N . 52913 2 217 . 1 . 1 119 119 SER H H 1 8.285 . . . . . . . . 119 SER H . 52913 2 218 . 1 . 1 119 119 SER N N 15 116.49 . . . . . . . . 119 SER N . 52913 2 219 . 1 . 1 120 120 SER H H 1 8.318 . . . . . . . . 120 SER H . 52913 2 220 . 1 . 1 120 120 SER N N 15 117.534 . . . . . . . . 120 SER N . 52913 2 221 . 1 . 1 121 121 SER H H 1 8.233 . . . . . . . . 121 SER H . 52913 2 222 . 1 . 1 121 121 SER N N 15 117.338 . . . . . . . . 121 SER N . 52913 2 223 . 1 . 1 122 122 TYR H H 1 8.077 . . . . . . . . 122 TYR H . 52913 2 224 . 1 . 1 122 122 TYR N N 15 121.828 . . . . . . . . 122 TYR N . 52913 2 225 . 1 . 1 123 123 GLY H H 1 8.214 . . . . . . . . 123 GLY H . 52913 2 226 . 1 . 1 123 123 GLY N N 15 110.528 . . . . . . . . 123 GLY N . 52913 2 227 . 1 . 1 124 124 GLN H H 1 8.06 . . . . . . . . 124 GLN H . 52913 2 228 . 1 . 1 124 124 GLN N N 15 120.42 . . . . . . . . 124 GLN N . 52913 2 229 . 1 . 1 126 126 GLN H H 1 8.548 . . . . . . . . 126 GLN H . 52913 2 230 . 1 . 1 126 126 GLN N N 15 120.606 . . . . . . . . 126 GLN N . 52913 2 231 . 1 . 1 127 127 SER H H 1 8.344 . . . . . . . . 127 SER H . 52913 2 232 . 1 . 1 127 127 SER N N 15 116.699 . . . . . . . . 127 SER N . 52913 2 233 . 1 . 1 128 128 GLY H H 1 8.407 . . . . . . . . 128 GLY H . 52913 2 234 . 1 . 1 128 128 GLY N N 15 110.701 . . . . . . . . 128 GLY N . 52913 2 235 . 1 . 1 129 129 SER H H 1 8.114 . . . . . . . . 129 SER H . 52913 2 236 . 1 . 1 129 129 SER N N 15 115.371 . . . . . . . . 129 SER N . 52913 2 237 . 1 . 1 131 131 SER H H 1 8.108 . . . . . . . . 131 SER H . 52913 2 238 . 1 . 1 131 131 SER N N 15 116.944 . . . . . . . . 131 SER N . 52913 2 239 . 1 . 1 132 132 GLN H H 1 8.233 . . . . . . . . 132 GLN H . 52913 2 240 . 1 . 1 132 132 GLN N N 15 121.808 . . . . . . . . 132 GLN N . 52913 2 241 . 1 . 1 133 133 GLN H H 1 8.303 . . . . . . . . 133 GLN H . 52913 2 242 . 1 . 1 133 133 GLN N N 15 122.38 . . . . . . . . 133 GLN N . 52913 2 243 . 1 . 1 135 135 SER H H 1 8.275 . . . . . . . . 135 SER H . 52913 2 244 . 1 . 1 135 135 SER N N 15 115.47 . . . . . . . . 135 SER N . 52913 2 245 . 1 . 1 136 136 TYR H H 1 8.186 . . . . . . . . 136 TYR H . 52913 2 246 . 1 . 1 136 136 TYR N N 15 122.022 . . . . . . . . 136 TYR N . 52913 2 247 . 1 . 1 137 137 GLY H H 1 8.339 . . . . . . . . 137 GLY H . 52913 2 248 . 1 . 1 137 137 GLY N N 15 110.714 . . . . . . . . 137 GLY N . 52913 2 249 . 1 . 1 138 138 GLY H H 1 7.948 . . . . . . . . 138 GLY H . 52913 2 250 . 1 . 1 138 138 GLY N N 15 108.235 . . . . . . . . 138 GLY N . 52913 2 251 . 1 . 1 139 139 GLN H H 1 8.267 . . . . . . . . 139 GLN H . 52913 2 252 . 1 . 1 139 139 GLN N N 15 119.643 . . . . . . . . 139 GLN N . 52913 2 253 . 1 . 1 140 140 GLN H H 1 8.461 . . . . . . . . 140 GLN H . 52913 2 254 . 1 . 1 140 140 GLN N N 15 121.375 . . . . . . . . 140 GLN N . 52913 2 255 . 1 . 1 141 141 GLN H H 1 8.398 . . . . . . . . 141 GLN H . 52913 2 256 . 1 . 1 141 141 GLN N N 15 121.361 . . . . . . . . 141 GLN N . 52913 2 257 . 1 . 1 142 142 SER H H 1 8.249 . . . . . . . . 142 SER H . 52913 2 258 . 1 . 1 142 142 SER N N 15 116.566 . . . . . . . . 142 SER N . 52913 2 259 . 1 . 1 143 143 TYR H H 1 8.22 . . . . . . . . 143 TYR H . 52913 2 260 . 1 . 1 143 143 TYR N N 15 122.078 . . . . . . . . 143 TYR N . 52913 2 261 . 1 . 1 144 144 GLY H H 1 8.307 . . . . . . . . 144 GLY H . 52913 2 262 . 1 . 1 144 144 GLY N N 15 110.184 . . . . . . . . 144 GLY N . 52913 2 263 . 1 . 1 145 145 GLN H H 1 8.167 . . . . . . . . 145 GLN H . 52913 2 264 . 1 . 1 145 145 GLN N N 15 119.658 . . . . . . . . 145 GLN N . 52913 2 265 . 1 . 1 146 146 GLN H H 1 8.442 . . . . . . . . 146 GLN H . 52913 2 266 . 1 . 1 146 146 GLN N N 15 121.276 . . . . . . . . 146 GLN N . 52913 2 267 . 1 . 1 147 147 GLN H H 1 8.407 . . . . . . . . 147 GLN H . 52913 2 268 . 1 . 1 147 147 GLN N N 15 121.313 . . . . . . . . 147 GLN N . 52913 2 269 . 1 . 1 148 148 SER H H 1 8.252 . . . . . . . . 148 SER H . 52913 2 270 . 1 . 1 148 148 SER N N 15 116.628 . . . . . . . . 148 SER N . 52913 2 271 . 1 . 1 149 149 TYR H H 1 8.186 . . . . . . . . 149 TYR H . 52913 2 272 . 1 . 1 149 149 TYR N N 15 122.291 . . . . . . . . 149 TYR N . 52913 2 273 . 1 . 1 150 150 ASN H H 1 8.21 . . . . . . . . 150 ASN H . 52913 2 274 . 1 . 1 150 150 ASN N N 15 123.029 . . . . . . . . 150 ASN N . 52913 2 275 . 1 . 1 153 153 GLN H H 1 8.439 . . . . . . . . 153 GLN H . 52913 2 276 . 1 . 1 153 153 GLN N N 15 119.954 . . . . . . . . 153 GLN N . 52913 2 277 . 1 . 1 154 154 GLY H H 1 8.337 . . . . . . . . 154 GLY H . 52913 2 278 . 1 . 1 154 154 GLY N N 15 109.886 . . . . . . . . 154 GLY N . 52913 2 279 . 1 . 1 155 155 TYR H H 1 8.108 . . . . . . . . 155 TYR H . 52913 2 280 . 1 . 1 155 155 TYR N N 15 119.979 . . . . . . . . 155 TYR N . 52913 2 281 . 1 . 1 156 156 GLY H H 1 8.389 . . . . . . . . 156 GLY H . 52913 2 282 . 1 . 1 156 156 GLY N N 15 110.771 . . . . . . . . 156 GLY N . 52913 2 283 . 1 . 1 157 157 GLN H H 1 8.165 . . . . . . . . 157 GLN H . 52913 2 284 . 1 . 1 157 157 GLN N N 15 119.628 . . . . . . . . 157 GLN N . 52913 2 285 . 1 . 1 158 158 GLN H H 1 8.464 . . . . . . . . 158 GLN H . 52913 2 286 . 1 . 1 158 158 GLN N N 15 120.94 . . . . . . . . 158 GLN N . 52913 2 287 . 1 . 1 159 159 ASN H H 1 8.43 . . . . . . . . 159 ASN H . 52913 2 288 . 1 . 1 159 159 ASN N N 15 119.459 . . . . . . . . 159 ASN N . 52913 2 289 . 1 . 1 160 160 GLN H H 1 8.288 . . . . . . . . 160 GLN H . 52913 2 290 . 1 . 1 160 160 GLN N N 15 120.066 . . . . . . . . 160 GLN N . 52913 2 291 . 1 . 1 161 161 TYR H H 1 8.186 . . . . . . . . 161 TYR H . 52913 2 292 . 1 . 1 161 161 TYR N N 15 120.37 . . . . . . . . 161 TYR N . 52913 2 293 . 1 . 1 162 162 ASN H H 1 8.265 . . . . . . . . 162 ASN H . 52913 2 294 . 1 . 1 162 162 ASN N N 15 120.405 . . . . . . . . 162 ASN N . 52913 2 295 . 1 . 1 163 163 SER H H 1 7.825 . . . . . . . . 163 SER H . 52913 2 296 . 1 . 1 163 163 SER N N 15 121.287 . . . . . . . . 163 SER N . 52913 2 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name '2.5% 2,5HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-15N HSQC' . . . 52913 3 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0061530288756858 . 52913 3 na 'all 15N' . -0.0061530289406035 . 52913 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.535 . . . . . . . . 2 ALA H . 52913 3 2 . 1 . 1 2 2 ALA N N 15 125.786 . . . . . . . . 2 ALA N . 52913 3 3 . 1 . 1 3 3 SER H H 1 8.275 . . . . . . . . 3 SER H . 52913 3 4 . 1 . 1 3 3 SER N N 15 115.026 . . . . . . . . 3 SER N . 52913 3 5 . 1 . 1 4 4 ASN H H 1 8.397 . . . . . . . . 4 ASN H . 52913 3 6 . 1 . 1 4 4 ASN N N 15 120.285 . . . . . . . . 4 ASN N . 52913 3 7 . 1 . 1 5 5 ASP H H 1 8.144 . . . . . . . . 5 ASP H . 52913 3 8 . 1 . 1 5 5 ASP N N 15 120.09 . . . . . . . . 5 ASP N . 52913 3 9 . 1 . 1 6 6 TYR H H 1 8.164 . . . . . . . . 6 TYR H . 52913 3 10 . 1 . 1 6 6 TYR N N 15 120.973 . . . . . . . . 6 TYR N . 52913 3 11 . 1 . 1 7 7 THR H H 1 8.042 . . . . . . . . 7 THR H . 52913 3 12 . 1 . 1 7 7 THR N N 15 115.114 . . . . . . . . 7 THR N . 52913 3 13 . 1 . 1 8 8 GLN H H 1 8.189 . . . . . . . . 8 GLN H . 52913 3 14 . 1 . 1 8 8 GLN N N 15 122.046 . . . . . . . . 8 GLN N . 52913 3 15 . 1 . 1 9 9 GLN H H 1 8.257 . . . . . . . . 9 GLN H . 52913 3 16 . 1 . 1 9 9 GLN N N 15 121.064 . . . . . . . . 9 GLN N . 52913 3 17 . 1 . 1 10 10 ALA H H 1 8.333 . . . . . . . . 10 ALA H . 52913 3 18 . 1 . 1 10 10 ALA N N 15 124.907 . . . . . . . . 10 ALA N . 52913 3 19 . 1 . 1 11 11 THR H H 1 8.052 . . . . . . . . 11 THR H . 52913 3 20 . 1 . 1 11 11 THR N N 15 112.943 . . . . . . . . 11 THR N . 52913 3 21 . 1 . 1 12 12 GLN H H 1 8.277 . . . . . . . . 12 GLN H . 52913 3 22 . 1 . 1 12 12 GLN N N 15 122.245 . . . . . . . . 12 GLN N . 52913 3 23 . 1 . 1 13 13 SER H H 1 8.232 . . . . . . . . 13 SER H . 52913 3 24 . 1 . 1 13 13 SER N N 15 116.762 . . . . . . . . 13 SER N . 52913 3 25 . 1 . 1 14 14 TYR H H 1 8.187 . . . . . . . . 14 TYR H . 52913 3 26 . 1 . 1 14 14 TYR N N 15 122.079 . . . . . . . . 14 TYR N . 52913 3 27 . 1 . 1 15 15 GLY H H 1 8.208 . . . . . . . . 15 GLY H . 52913 3 28 . 1 . 1 15 15 GLY N N 15 110.35 . . . . . . . . 15 GLY N . 52913 3 29 . 1 . 1 16 16 ALA H H 1 7.928 . . . . . . . . 16 ALA H . 52913 3 30 . 1 . 1 16 16 ALA N N 15 123.266 . . . . . . . . 16 ALA N . 52913 3 31 . 1 . 1 17 17 TYR H H 1 8.043 . . . . . . . . 17 TYR H . 52913 3 32 . 1 . 1 17 17 TYR N N 15 120.109 . . . . . . . . 17 TYR N . 52913 3 33 . 1 . 1 19 19 THR H H 1 8.12 . . . . . . . . 19 THR H . 52913 3 34 . 1 . 1 19 19 THR N N 15 114.121 . . . . . . . . 19 THR N . 52913 3 35 . 1 . 1 20 20 GLN H H 1 8.281 . . . . . . . . 20 GLN H . 52913 3 36 . 1 . 1 20 20 GLN N N 15 123.184 . . . . . . . . 20 GLN N . 52913 3 37 . 1 . 1 22 22 GLY H H 1 8.484 . . . . . . . . 22 GLY H . 52913 3 38 . 1 . 1 22 22 GLY N N 15 109.504 . . . . . . . . 22 GLY N . 52913 3 39 . 1 . 1 23 23 GLN H H 1 8.146 . . . . . . . . 23 GLN H . 52913 3 40 . 1 . 1 23 23 GLN N N 15 119.41 . . . . . . . . 23 GLN N . 52913 3 41 . 1 . 1 24 24 GLY H H 1 8.415 . . . . . . . . 24 GLY H . 52913 3 42 . 1 . 1 24 24 GLY N N 15 109.731 . . . . . . . . 24 GLY N . 52913 3 43 . 1 . 1 25 25 TYR H H 1 8.041 . . . . . . . . 25 TYR H . 52913 3 44 . 1 . 1 25 25 TYR N N 15 120.097 . . . . . . . . 25 TYR N . 52913 3 45 . 1 . 1 26 26 SER H H 1 8.217 . . . . . . . . 26 SER H . 52913 3 46 . 1 . 1 26 26 SER N N 15 117.496 . . . . . . . . 26 SER N . 52913 3 47 . 1 . 1 27 27 GLN H H 1 8.351 . . . . . . . . 27 GLN H . 52913 3 48 . 1 . 1 27 27 GLN N N 15 122.21 . . . . . . . . 27 GLN N . 52913 3 49 . 1 . 1 28 28 GLN H H 1 8.353 . . . . . . . . 28 GLN H . 52913 3 50 . 1 . 1 28 28 GLN N N 15 121.001 . . . . . . . . 28 GLN N . 52913 3 51 . 1 . 1 29 29 SER H H 1 8.292 . . . . . . . . 29 SER H . 52913 3 52 . 1 . 1 29 29 SER N N 15 116.579 . . . . . . . . 29 SER N . 52913 3 53 . 1 . 1 30 30 SER H H 1 8.289 . . . . . . . . 30 SER H . 52913 3 54 . 1 . 1 30 30 SER N N 15 117.456 . . . . . . . . 30 SER N . 52913 3 55 . 1 . 1 31 31 GLN H H 1 8.218 . . . . . . . . 31 GLN H . 52913 3 56 . 1 . 1 31 31 GLN N N 15 122.299 . . . . . . . . 31 GLN N . 52913 3 57 . 1 . 1 33 33 TYR H H 1 8.148 . . . . . . . . 33 TYR H . 52913 3 58 . 1 . 1 33 33 TYR N N 15 119.971 . . . . . . . . 33 TYR N . 52913 3 59 . 1 . 1 34 34 GLY H H 1 8.197 . . . . . . . . 34 GLY H . 52913 3 60 . 1 . 1 34 34 GLY N N 15 110.551 . . . . . . . . 34 GLY N . 52913 3 61 . 1 . 1 35 35 GLN H H 1 8.134 . . . . . . . . 35 GLN H . 52913 3 62 . 1 . 1 35 35 GLN N N 15 119.711 . . . . . . . . 35 GLN N . 52913 3 63 . 1 . 1 36 36 GLN H H 1 8.417 . . . . . . . . 36 GLN H . 52913 3 64 . 1 . 1 36 36 GLN N N 15 121.306 . . . . . . . . 36 GLN N . 52913 3 65 . 1 . 1 37 37 SER H H 1 8.248 . . . . . . . . 37 SER H . 52913 3 66 . 1 . 1 37 37 SER N N 15 116.565 . . . . . . . . 37 SER N . 52913 3 67 . 1 . 1 38 38 TYR H H 1 8.213 . . . . . . . . 38 TYR H . 52913 3 68 . 1 . 1 38 38 TYR N N 15 122.216 . . . . . . . . 38 TYR N . 52913 3 69 . 1 . 1 39 39 SER H H 1 8.245 . . . . . . . . 39 SER H . 52913 3 70 . 1 . 1 39 39 SER N N 15 117.787 . . . . . . . . 39 SER N . 52913 3 71 . 1 . 1 40 40 GLY H H 1 7.811 . . . . . . . . 40 GLY H . 52913 3 72 . 1 . 1 40 40 GLY N N 15 110.103 . . . . . . . . 40 GLY N . 52913 3 73 . 1 . 1 41 41 TYR H H 1 7.962 . . . . . . . . 41 TYR H . 52913 3 74 . 1 . 1 41 41 TYR N N 15 119.958 . . . . . . . . 41 TYR N . 52913 3 75 . 1 . 1 42 42 SER H H 1 8.173 . . . . . . . . 42 SER H . 52913 3 76 . 1 . 1 42 42 SER N N 15 117.748 . . . . . . . . 42 SER N . 52913 3 77 . 1 . 1 43 43 GLN H H 1 8.333 . . . . . . . . 43 GLN H . 52913 3 78 . 1 . 1 43 43 GLN N N 15 122.233 . . . . . . . . 43 GLN N . 52913 3 79 . 1 . 1 44 44 SER H H 1 8.337 . . . . . . . . 44 SER H . 52913 3 80 . 1 . 1 44 44 SER N N 15 116.684 . . . . . . . . 44 SER N . 52913 3 81 . 1 . 1 45 45 THR H H 1 8.157 . . . . . . . . 45 THR H . 52913 3 82 . 1 . 1 45 45 THR N N 15 115.289 . . . . . . . . 45 THR N . 52913 3 83 . 1 . 1 46 46 ASP H H 1 8.312 . . . . . . . . 46 ASP H . 52913 3 84 . 1 . 1 46 46 ASP N N 15 122.628 . . . . . . . . 46 ASP N . 52913 3 85 . 1 . 1 47 47 THR H H 1 8.198 . . . . . . . . 47 THR H . 52913 3 86 . 1 . 1 47 47 THR N N 15 114.477 . . . . . . . . 47 THR N . 52913 3 87 . 1 . 1 48 48 SER H H 1 8.359 . . . . . . . . 48 SER H . 52913 3 88 . 1 . 1 48 48 SER N N 15 118.172 . . . . . . . . 48 SER N . 52913 3 89 . 1 . 1 49 49 GLY H H 1 8.309 . . . . . . . . 49 GLY H . 52913 3 90 . 1 . 1 49 49 GLY N N 15 110.277 . . . . . . . . 49 GLY N . 52913 3 91 . 1 . 1 50 50 TYR H H 1 8.044 . . . . . . . . 50 TYR H . 52913 3 92 . 1 . 1 50 50 TYR N N 15 120.076 . . . . . . . . 50 TYR N . 52913 3 93 . 1 . 1 51 51 GLY H H 1 8.35 . . . . . . . . 51 GLY H . 52913 3 94 . 1 . 1 51 51 GLY N N 15 110.679 . . . . . . . . 51 GLY N . 52913 3 95 . 1 . 1 52 52 GLN H H 1 8.139 . . . . . . . . 52 GLN H . 52913 3 96 . 1 . 1 52 52 GLN N N 15 119.692 . . . . . . . . 52 GLN N . 52913 3 97 . 1 . 1 53 53 SER H H 1 8.379 . . . . . . . . 53 SER H . 52913 3 98 . 1 . 1 53 53 SER N N 15 116.669 . . . . . . . . 53 SER N . 52913 3 99 . 1 . 1 54 54 SER H H 1 8.261 . . . . . . . . 54 SER H . 52913 3 100 . 1 . 1 54 54 SER N N 15 117.383 . . . . . . . . 54 SER N . 52913 3 101 . 1 . 1 55 55 TYR H H 1 8.108 . . . . . . . . 55 TYR H . 52913 3 102 . 1 . 1 55 55 TYR N N 15 121.748 . . . . . . . . 55 TYR N . 52913 3 103 . 1 . 1 56 56 SER H H 1 8.079 . . . . . . . . 56 SER H . 52913 3 104 . 1 . 1 56 56 SER N N 15 116.916 . . . . . . . . 56 SER N . 52913 3 105 . 1 . 1 57 57 SER H H 1 8.18 . . . . . . . . 57 SER H . 52913 3 106 . 1 . 1 57 57 SER N N 15 117.687 . . . . . . . . 57 SER N . 52913 3 107 . 1 . 1 58 58 TYR H H 1 8.101 . . . . . . . . 58 TYR H . 52913 3 108 . 1 . 1 58 58 TYR N N 15 121.781 . . . . . . . . 58 TYR N . 52913 3 109 . 1 . 1 59 59 GLY H H 1 8.239 . . . . . . . . 59 GLY H . 52913 3 110 . 1 . 1 59 59 GLY N N 15 110.365 . . . . . . . . 59 GLY N . 52913 3 111 . 1 . 1 60 60 GLN H H 1 8.101 . . . . . . . . 60 GLN H . 52913 3 112 . 1 . 1 60 60 GLN N N 15 119.59 . . . . . . . . 60 GLN N . 52913 3 113 . 1 . 1 61 61 SER H H 1 8.344 . . . . . . . . 61 SER H . 52913 3 114 . 1 . 1 61 61 SER N N 15 116.687 . . . . . . . . 61 SER N . 52913 3 115 . 1 . 1 62 62 GLN H H 1 8.395 . . . . . . . . 62 GLN H . 52913 3 116 . 1 . 1 62 62 GLN N N 15 121.509 . . . . . . . . 62 GLN N . 52913 3 117 . 1 . 1 63 63 ASN H H 1 8.424 . . . . . . . . 63 ASN H . 52913 3 118 . 1 . 1 63 63 ASN N N 15 119.564 . . . . . . . . 63 ASN N . 52913 3 119 . 1 . 1 64 64 THR H H 1 8.108 . . . . . . . . 64 THR H . 52913 3 120 . 1 . 1 64 64 THR N N 15 113.702 . . . . . . . . 64 THR N . 52913 3 121 . 1 . 1 65 65 GLY H H 1 8.319 . . . . . . . . 65 GLY H . 52913 3 122 . 1 . 1 65 65 GLY N N 15 110.51 . . . . . . . . 65 GLY N . 52913 3 123 . 1 . 1 67 67 GLY H H 1 8.343 . . . . . . . . 67 GLY H . 52913 3 124 . 1 . 1 67 67 GLY N N 15 110.741 . . . . . . . . 67 GLY N . 52913 3 125 . 1 . 1 68 68 THR H H 1 8.038 . . . . . . . . 68 THR H . 52913 3 126 . 1 . 1 68 68 THR N N 15 113.412 . . . . . . . . 68 THR N . 52913 3 127 . 1 . 1 69 69 GLN H H 1 8.437 . . . . . . . . 69 GLN H . 52913 3 128 . 1 . 1 69 69 GLN N N 15 122.295 . . . . . . . . 69 GLN N . 52913 3 129 . 1 . 1 70 70 SER H H 1 8.333 . . . . . . . . 70 SER H . 52913 3 130 . 1 . 1 70 70 SER N N 15 117.044 . . . . . . . . 70 SER N . 52913 3 131 . 1 . 1 71 71 THR H H 1 8.126 . . . . . . . . 71 THR H . 52913 3 132 . 1 . 1 71 71 THR N N 15 117.511 . . . . . . . . 71 THR N . 52913 3 133 . 1 . 1 73 73 GLN H H 1 8.421 . . . . . . . . 73 GLN H . 52913 3 134 . 1 . 1 73 73 GLN N N 15 120.34 . . . . . . . . 73 GLN N . 52913 3 135 . 1 . 1 74 74 GLY H H 1 8.308 . . . . . . . . 74 GLY H . 52913 3 136 . 1 . 1 74 74 GLY N N 15 109.825 . . . . . . . . 74 GLY N . 52913 3 137 . 1 . 1 75 75 TYR H H 1 8.074 . . . . . . . . 75 TYR H . 52913 3 138 . 1 . 1 75 75 TYR N N 15 120.183 . . . . . . . . 75 TYR N . 52913 3 139 . 1 . 1 76 76 GLY H H 1 8.362 . . . . . . . . 76 GLY H . 52913 3 140 . 1 . 1 76 76 GLY N N 15 110.798 . . . . . . . . 76 GLY N . 52913 3 141 . 1 . 1 77 77 SER H H 1 8.192 . . . . . . . . 77 SER H . 52913 3 142 . 1 . 1 77 77 SER N N 15 115.593 . . . . . . . . 77 SER N . 52913 3 143 . 1 . 1 78 78 THR H H 1 8.22 . . . . . . . . 78 THR H . 52913 3 144 . 1 . 1 78 78 THR N N 15 114.809 . . . . . . . . 78 THR N . 52913 3 145 . 1 . 1 79 79 GLY H H 1 8.316 . . . . . . . . 79 GLY H . 52913 3 146 . 1 . 1 79 79 GLY N N 15 110.684 . . . . . . . . 79 GLY N . 52913 3 147 . 1 . 1 80 80 GLY H H 1 8.147 . . . . . . . . 80 GLY H . 52913 3 148 . 1 . 1 80 80 GLY N N 15 108.332 . . . . . . . . 80 GLY N . 52913 3 149 . 1 . 1 81 81 TYR H H 1 8.128 . . . . . . . . 81 TYR H . 52913 3 150 . 1 . 1 81 81 TYR N N 15 120.186 . . . . . . . . 81 TYR N . 52913 3 151 . 1 . 1 82 82 GLY H H 1 8.368 . . . . . . . . 82 GLY H . 52913 3 152 . 1 . 1 82 82 GLY N N 15 110.877 . . . . . . . . 82 GLY N . 52913 3 153 . 1 . 1 83 83 SER H H 1 8.149 . . . . . . . . 83 SER H . 52913 3 154 . 1 . 1 83 83 SER N N 15 115.523 . . . . . . . . 83 SER N . 52913 3 155 . 1 . 1 84 84 SER H H 1 8.408 . . . . . . . . 84 SER H . 52913 3 156 . 1 . 1 84 84 SER N N 15 117.62 . . . . . . . . 84 SER N . 52913 3 157 . 1 . 1 85 85 GLN H H 1 8.374 . . . . . . . . 85 GLN H . 52913 3 158 . 1 . 1 85 85 GLN N N 15 121.833 . . . . . . . . 85 GLN N . 52913 3 159 . 1 . 1 86 86 SER H H 1 8.288 . . . . . . . . 86 SER H . 52913 3 160 . 1 . 1 86 86 SER N N 15 116.459 . . . . . . . . 86 SER N . 52913 3 161 . 1 . 1 87 87 SER H H 1 8.322 . . . . . . . . 87 SER H . 52913 3 162 . 1 . 1 87 87 SER N N 15 117.469 . . . . . . . . 87 SER N . 52913 3 163 . 1 . 1 88 88 GLN H H 1 8.328 . . . . . . . . 88 GLN H . 52913 3 164 . 1 . 1 88 88 GLN N N 15 121.766 . . . . . . . . 88 GLN N . 52913 3 165 . 1 . 1 89 89 SER H H 1 8.266 . . . . . . . . 89 SER H . 52913 3 166 . 1 . 1 89 89 SER N N 15 116.453 . . . . . . . . 89 SER N . 52913 3 167 . 1 . 1 90 90 SER H H 1 8.222 . . . . . . . . 90 SER H . 52913 3 168 . 1 . 1 90 90 SER N N 15 117.474 . . . . . . . . 90 SER N . 52913 3 169 . 1 . 1 91 91 TYR H H 1 8.131 . . . . . . . . 91 TYR H . 52913 3 170 . 1 . 1 91 91 TYR N N 15 121.823 . . . . . . . . 91 TYR N . 52913 3 171 . 1 . 1 92 92 GLY H H 1 8.24 . . . . . . . . 92 GLY H . 52913 3 172 . 1 . 1 92 92 GLY N N 15 110.317 . . . . . . . . 92 GLY N . 52913 3 173 . 1 . 1 93 93 GLN H H 1 8.141 . . . . . . . . 93 GLN H . 52913 3 174 . 1 . 1 93 93 GLN N N 15 119.653 . . . . . . . . 93 GLN N . 52913 3 175 . 1 . 1 95 95 SER H H 1 8.293 . . . . . . . . 95 SER H . 52913 3 176 . 1 . 1 95 95 SER N N 15 116.518 . . . . . . . . 95 SER N . 52913 3 177 . 1 . 1 96 96 SER H H 1 8.141 . . . . . . . . 96 SER H . 52913 3 178 . 1 . 1 96 96 SER N N 15 117.035 . . . . . . . . 96 SER N . 52913 3 179 . 1 . 1 97 97 TYR H H 1 8.082 . . . . . . . . 97 TYR H . 52913 3 180 . 1 . 1 97 97 TYR N N 15 122.712 . . . . . . . . 97 TYR N . 52913 3 181 . 1 . 1 99 99 GLY H H 1 7.903 . . . . . . . . 99 GLY H . 52913 3 182 . 1 . 1 99 99 GLY N N 15 108.584 . . . . . . . . 99 GLY N . 52913 3 183 . 1 . 1 100 100 TYR H H 1 7.917 . . . . . . . . 100 TYR H . 52913 3 184 . 1 . 1 100 100 TYR N N 15 120.034 . . . . . . . . 100 TYR N . 52913 3 185 . 1 . 1 101 101 GLY H H 1 8.346 . . . . . . . . 101 GLY H . 52913 3 186 . 1 . 1 101 101 GLY N N 15 111.045 . . . . . . . . 101 GLY N . 52913 3 187 . 1 . 1 102 102 GLN H H 1 8.082 . . . . . . . . 102 GLN H . 52913 3 188 . 1 . 1 102 102 GLN N N 15 119.52 . . . . . . . . 102 GLN N . 52913 3 189 . 1 . 1 103 103 GLN H H 1 8.401 . . . . . . . . 103 GLN H . 52913 3 190 . 1 . 1 103 103 GLN N N 15 122.639 . . . . . . . . 103 GLN N . 52913 3 191 . 1 . 1 105 105 ALA H H 1 8.361 . . . . . . . . 105 ALA H . 52913 3 192 . 1 . 1 105 105 ALA N N 15 125.505 . . . . . . . . 105 ALA N . 52913 3 193 . 1 . 1 107 107 SER H H 1 8.376 . . . . . . . . 107 SER H . 52913 3 194 . 1 . 1 107 107 SER N N 15 115.651 . . . . . . . . 107 SER N . 52913 3 195 . 1 . 1 108 108 SER H H 1 8.387 . . . . . . . . 108 SER H . 52913 3 196 . 1 . 1 108 108 SER N N 15 117.563 . . . . . . . . 108 SER N . 52913 3 197 . 1 . 1 109 109 THR H H 1 8.193 . . . . . . . . 109 THR H . 52913 3 198 . 1 . 1 109 109 THR N N 15 114.874 . . . . . . . . 109 THR N . 52913 3 199 . 1 . 1 110 110 SER H H 1 8.242 . . . . . . . . 110 SER H . 52913 3 200 . 1 . 1 110 110 SER N N 15 117.77 . . . . . . . . 110 SER N . 52913 3 201 . 1 . 1 111 111 GLY H H 1 8.348 . . . . . . . . 111 GLY H . 52913 3 202 . 1 . 1 111 111 GLY N N 15 110.719 . . . . . . . . 111 GLY N . 52913 3 203 . 1 . 1 112 112 SER H H 1 8.104 . . . . . . . . 112 SER H . 52913 3 204 . 1 . 1 112 112 SER N N 15 115.46 . . . . . . . . 112 SER N . 52913 3 205 . 1 . 1 113 113 TYR H H 1 8.25 . . . . . . . . 113 TYR H . 52913 3 206 . 1 . 1 113 113 TYR N N 15 122.229 . . . . . . . . 113 TYR N . 52913 3 207 . 1 . 1 114 114 GLY H H 1 8.286 . . . . . . . . 114 GLY H . 52913 3 208 . 1 . 1 114 114 GLY N N 15 110.623 . . . . . . . . 114 GLY N . 52913 3 209 . 1 . 1 115 115 SER H H 1 8.179 . . . . . . . . 115 SER H . 52913 3 210 . 1 . 1 115 115 SER N N 15 115.594 . . . . . . . . 115 SER N . 52913 3 211 . 1 . 1 116 116 SER H H 1 8.417 . . . . . . . . 116 SER H . 52913 3 212 . 1 . 1 116 116 SER N N 15 117.672 . . . . . . . . 116 SER N . 52913 3 213 . 1 . 1 117 117 SER H H 1 8.321 . . . . . . . . 117 SER H . 52913 3 214 . 1 . 1 117 117 SER N N 15 117.671 . . . . . . . . 117 SER N . 52913 3 215 . 1 . 1 118 118 GLN H H 1 8.319 . . . . . . . . 118 GLN H . 52913 3 216 . 1 . 1 118 118 GLN N N 15 121.81 . . . . . . . . 118 GLN N . 52913 3 217 . 1 . 1 119 119 SER H H 1 8.286 . . . . . . . . 119 SER H . 52913 3 218 . 1 . 1 119 119 SER N N 15 116.522 . . . . . . . . 119 SER N . 52913 3 219 . 1 . 1 120 120 SER H H 1 8.321 . . . . . . . . 120 SER H . 52913 3 220 . 1 . 1 120 120 SER N N 15 117.607 . . . . . . . . 120 SER N . 52913 3 221 . 1 . 1 121 121 SER H H 1 8.235 . . . . . . . . 121 SER H . 52913 3 222 . 1 . 1 121 121 SER N N 15 117.352 . . . . . . . . 121 SER N . 52913 3 223 . 1 . 1 122 122 TYR H H 1 8.078 . . . . . . . . 122 TYR H . 52913 3 224 . 1 . 1 122 122 TYR N N 15 121.878 . . . . . . . . 122 TYR N . 52913 3 225 . 1 . 1 123 123 GLY H H 1 8.217 . . . . . . . . 123 GLY H . 52913 3 226 . 1 . 1 123 123 GLY N N 15 110.599 . . . . . . . . 123 GLY N . 52913 3 227 . 1 . 1 124 124 GLN H H 1 8.06 . . . . . . . . 124 GLN H . 52913 3 228 . 1 . 1 124 124 GLN N N 15 120.446 . . . . . . . . 124 GLN N . 52913 3 229 . 1 . 1 126 126 GLN H H 1 8.548 . . . . . . . . 126 GLN H . 52913 3 230 . 1 . 1 126 126 GLN N N 15 120.655 . . . . . . . . 126 GLN N . 52913 3 231 . 1 . 1 127 127 SER H H 1 8.348 . . . . . . . . 127 SER H . 52913 3 232 . 1 . 1 127 127 SER N N 15 116.757 . . . . . . . . 127 SER N . 52913 3 233 . 1 . 1 128 128 GLY H H 1 8.411 . . . . . . . . 128 GLY H . 52913 3 234 . 1 . 1 128 128 GLY N N 15 110.741 . . . . . . . . 128 GLY N . 52913 3 235 . 1 . 1 129 129 SER H H 1 8.119 . . . . . . . . 129 SER H . 52913 3 236 . 1 . 1 129 129 SER N N 15 115.41 . . . . . . . . 129 SER N . 52913 3 237 . 1 . 1 131 131 SER H H 1 8.112 . . . . . . . . 131 SER H . 52913 3 238 . 1 . 1 131 131 SER N N 15 117.017 . . . . . . . . 131 SER N . 52913 3 239 . 1 . 1 132 132 GLN H H 1 8.233 . . . . . . . . 132 GLN H . 52913 3 240 . 1 . 1 132 132 GLN N N 15 121.841 . . . . . . . . 132 GLN N . 52913 3 241 . 1 . 1 133 133 GLN H H 1 8.305 . . . . . . . . 133 GLN H . 52913 3 242 . 1 . 1 133 133 GLN N N 15 122.412 . . . . . . . . 133 GLN N . 52913 3 243 . 1 . 1 135 135 SER H H 1 8.278 . . . . . . . . 135 SER H . 52913 3 244 . 1 . 1 135 135 SER N N 15 115.501 . . . . . . . . 135 SER N . 52913 3 245 . 1 . 1 136 136 TYR H H 1 8.186 . . . . . . . . 136 TYR H . 52913 3 246 . 1 . 1 136 136 TYR N N 15 122.069 . . . . . . . . 136 TYR N . 52913 3 247 . 1 . 1 137 137 GLY H H 1 8.338 . . . . . . . . 137 GLY H . 52913 3 248 . 1 . 1 137 137 GLY N N 15 110.759 . . . . . . . . 137 GLY N . 52913 3 249 . 1 . 1 138 138 GLY H H 1 7.949 . . . . . . . . 138 GLY H . 52913 3 250 . 1 . 1 138 138 GLY N N 15 108.268 . . . . . . . . 138 GLY N . 52913 3 251 . 1 . 1 139 139 GLN H H 1 8.267 . . . . . . . . 139 GLN H . 52913 3 252 . 1 . 1 139 139 GLN N N 15 119.667 . . . . . . . . 139 GLN N . 52913 3 253 . 1 . 1 140 140 GLN H H 1 8.462 . . . . . . . . 140 GLN H . 52913 3 254 . 1 . 1 140 140 GLN N N 15 121.422 . . . . . . . . 140 GLN N . 52913 3 255 . 1 . 1 141 141 GLN H H 1 8.397 . . . . . . . . 141 GLN H . 52913 3 256 . 1 . 1 141 141 GLN N N 15 121.395 . . . . . . . . 141 GLN N . 52913 3 257 . 1 . 1 142 142 SER H H 1 8.252 . . . . . . . . 142 SER H . 52913 3 258 . 1 . 1 142 142 SER N N 15 116.608 . . . . . . . . 142 SER N . 52913 3 259 . 1 . 1 143 143 TYR H H 1 8.218 . . . . . . . . 143 TYR H . 52913 3 260 . 1 . 1 143 143 TYR N N 15 122.086 . . . . . . . . 143 TYR N . 52913 3 261 . 1 . 1 144 144 GLY H H 1 8.311 . . . . . . . . 144 GLY H . 52913 3 262 . 1 . 1 144 144 GLY N N 15 110.224 . . . . . . . . 144 GLY N . 52913 3 263 . 1 . 1 145 145 GLN H H 1 8.168 . . . . . . . . 145 GLN H . 52913 3 264 . 1 . 1 145 145 GLN N N 15 119.72 . . . . . . . . 145 GLN N . 52913 3 265 . 1 . 1 146 146 GLN H H 1 8.441 . . . . . . . . 146 GLN H . 52913 3 266 . 1 . 1 146 146 GLN N N 15 121.301 . . . . . . . . 146 GLN N . 52913 3 267 . 1 . 1 147 147 GLN H H 1 8.409 . . . . . . . . 147 GLN H . 52913 3 268 . 1 . 1 147 147 GLN N N 15 121.359 . . . . . . . . 147 GLN N . 52913 3 269 . 1 . 1 148 148 SER H H 1 8.253 . . . . . . . . 148 SER H . 52913 3 270 . 1 . 1 148 148 SER N N 15 116.669 . . . . . . . . 148 SER N . 52913 3 271 . 1 . 1 149 149 TYR H H 1 8.186 . . . . . . . . 149 TYR H . 52913 3 272 . 1 . 1 149 149 TYR N N 15 122.34 . . . . . . . . 149 TYR N . 52913 3 273 . 1 . 1 150 150 ASN H H 1 8.205 . . . . . . . . 150 ASN H . 52913 3 274 . 1 . 1 150 150 ASN N N 15 123.098 . . . . . . . . 150 ASN N . 52913 3 275 . 1 . 1 153 153 GLN H H 1 8.439 . . . . . . . . 153 GLN H . 52913 3 276 . 1 . 1 153 153 GLN N N 15 119.976 . . . . . . . . 153 GLN N . 52913 3 277 . 1 . 1 154 154 GLY H H 1 8.339 . . . . . . . . 154 GLY H . 52913 3 278 . 1 . 1 154 154 GLY N N 15 109.958 . . . . . . . . 154 GLY N . 52913 3 279 . 1 . 1 155 155 TYR H H 1 8.106 . . . . . . . . 155 TYR H . 52913 3 280 . 1 . 1 155 155 TYR N N 15 120.032 . . . . . . . . 155 TYR N . 52913 3 281 . 1 . 1 156 156 GLY H H 1 8.389 . . . . . . . . 156 GLY H . 52913 3 282 . 1 . 1 156 156 GLY N N 15 110.829 . . . . . . . . 156 GLY N . 52913 3 283 . 1 . 1 157 157 GLN H H 1 8.166 . . . . . . . . 157 GLN H . 52913 3 284 . 1 . 1 157 157 GLN N N 15 119.662 . . . . . . . . 157 GLN N . 52913 3 285 . 1 . 1 158 158 GLN H H 1 8.463 . . . . . . . . 158 GLN H . 52913 3 286 . 1 . 1 158 158 GLN N N 15 120.976 . . . . . . . . 158 GLN N . 52913 3 287 . 1 . 1 159 159 ASN H H 1 8.431 . . . . . . . . 159 ASN H . 52913 3 288 . 1 . 1 159 159 ASN N N 15 119.507 . . . . . . . . 159 ASN N . 52913 3 289 . 1 . 1 160 160 GLN H H 1 8.286 . . . . . . . . 160 GLN H . 52913 3 290 . 1 . 1 160 160 GLN N N 15 120.122 . . . . . . . . 160 GLN N . 52913 3 291 . 1 . 1 161 161 TYR H H 1 8.188 . . . . . . . . 161 TYR H . 52913 3 292 . 1 . 1 161 161 TYR N N 15 120.447 . . . . . . . . 161 TYR N . 52913 3 293 . 1 . 1 162 162 ASN H H 1 8.273 . . . . . . . . 162 ASN H . 52913 3 294 . 1 . 1 162 162 ASN N N 15 120.485 . . . . . . . . 162 ASN N . 52913 3 295 . 1 . 1 163 163 SER H H 1 7.832 . . . . . . . . 163 SER H . 52913 3 296 . 1 . 1 163 163 SER N N 15 121.32 . . . . . . . . 163 SER N . 52913 3 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name '2.5% 1,2CHD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-15N HSQC' . . . 52913 4 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0035600167307844 . 52913 4 na 'all 15N' . -0.0035600168561484 . 52913 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.537 . . . . . . . . 2 ALA H . 52913 4 2 . 1 . 1 2 2 ALA N N 15 125.776 . . . . . . . . 2 ALA N . 52913 4 3 . 1 . 1 3 3 SER H H 1 8.277 . . . . . . . . 3 SER H . 52913 4 4 . 1 . 1 3 3 SER N N 15 115.021 . . . . . . . . 3 SER N . 52913 4 5 . 1 . 1 4 4 ASN H H 1 8.398 . . . . . . . . 4 ASN H . 52913 4 6 . 1 . 1 4 4 ASN N N 15 120.284 . . . . . . . . 4 ASN N . 52913 4 7 . 1 . 1 5 5 ASP H H 1 8.147 . . . . . . . . 5 ASP H . 52913 4 8 . 1 . 1 5 5 ASP N N 15 120.049 . . . . . . . . 5 ASP N . 52913 4 9 . 1 . 1 6 6 TYR H H 1 8.166 . . . . . . . . 6 TYR H . 52913 4 10 . 1 . 1 6 6 TYR N N 15 120.972 . . . . . . . . 6 TYR N . 52913 4 11 . 1 . 1 7 7 THR H H 1 8.045 . . . . . . . . 7 THR H . 52913 4 12 . 1 . 1 7 7 THR N N 15 115.11 . . . . . . . . 7 THR N . 52913 4 13 . 1 . 1 8 8 GLN H H 1 8.188 . . . . . . . . 8 GLN H . 52913 4 14 . 1 . 1 8 8 GLN N N 15 122.03 . . . . . . . . 8 GLN N . 52913 4 15 . 1 . 1 9 9 GLN H H 1 8.26 . . . . . . . . 9 GLN H . 52913 4 16 . 1 . 1 9 9 GLN N N 15 121.059 . . . . . . . . 9 GLN N . 52913 4 17 . 1 . 1 10 10 ALA H H 1 8.335 . . . . . . . . 10 ALA H . 52913 4 18 . 1 . 1 10 10 ALA N N 15 124.897 . . . . . . . . 10 ALA N . 52913 4 19 . 1 . 1 11 11 THR H H 1 8.054 . . . . . . . . 11 THR H . 52913 4 20 . 1 . 1 11 11 THR N N 15 112.94 . . . . . . . . 11 THR N . 52913 4 21 . 1 . 1 12 12 GLN H H 1 8.279 . . . . . . . . 12 GLN H . 52913 4 22 . 1 . 1 12 12 GLN N N 15 122.24 . . . . . . . . 12 GLN N . 52913 4 23 . 1 . 1 13 13 SER H H 1 8.234 . . . . . . . . 13 SER H . 52913 4 24 . 1 . 1 13 13 SER N N 15 116.757 . . . . . . . . 13 SER N . 52913 4 25 . 1 . 1 14 14 TYR H H 1 8.189 . . . . . . . . 14 TYR H . 52913 4 26 . 1 . 1 14 14 TYR N N 15 122.073 . . . . . . . . 14 TYR N . 52913 4 27 . 1 . 1 15 15 GLY H H 1 8.212 . . . . . . . . 15 GLY H . 52913 4 28 . 1 . 1 15 15 GLY N N 15 110.349 . . . . . . . . 15 GLY N . 52913 4 29 . 1 . 1 16 16 ALA H H 1 7.929 . . . . . . . . 16 ALA H . 52913 4 30 . 1 . 1 16 16 ALA N N 15 123.265 . . . . . . . . 16 ALA N . 52913 4 31 . 1 . 1 17 17 TYR H H 1 8.047 . . . . . . . . 17 TYR H . 52913 4 32 . 1 . 1 17 17 TYR N N 15 120.12 . . . . . . . . 17 TYR N . 52913 4 33 . 1 . 1 19 19 THR H H 1 8.123 . . . . . . . . 19 THR H . 52913 4 34 . 1 . 1 19 19 THR N N 15 114.109 . . . . . . . . 19 THR N . 52913 4 35 . 1 . 1 20 20 GLN H H 1 8.284 . . . . . . . . 20 GLN H . 52913 4 36 . 1 . 1 20 20 GLN N N 15 123.181 . . . . . . . . 20 GLN N . 52913 4 37 . 1 . 1 22 22 GLY H H 1 8.487 . . . . . . . . 22 GLY H . 52913 4 38 . 1 . 1 22 22 GLY N N 15 109.5 . . . . . . . . 22 GLY N . 52913 4 39 . 1 . 1 23 23 GLN H H 1 8.15 . . . . . . . . 23 GLN H . 52913 4 40 . 1 . 1 23 23 GLN N N 15 119.412 . . . . . . . . 23 GLN N . 52913 4 41 . 1 . 1 24 24 GLY H H 1 8.417 . . . . . . . . 24 GLY H . 52913 4 42 . 1 . 1 24 24 GLY N N 15 109.728 . . . . . . . . 24 GLY N . 52913 4 43 . 1 . 1 25 25 TYR H H 1 8.042 . . . . . . . . 25 TYR H . 52913 4 44 . 1 . 1 25 25 TYR N N 15 120.102 . . . . . . . . 25 TYR N . 52913 4 45 . 1 . 1 26 26 SER H H 1 8.219 . . . . . . . . 26 SER H . 52913 4 46 . 1 . 1 26 26 SER N N 15 117.499 . . . . . . . . 26 SER N . 52913 4 47 . 1 . 1 27 27 GLN H H 1 8.355 . . . . . . . . 27 GLN H . 52913 4 48 . 1 . 1 27 27 GLN N N 15 122.207 . . . . . . . . 27 GLN N . 52913 4 49 . 1 . 1 28 28 GLN H H 1 8.355 . . . . . . . . 28 GLN H . 52913 4 50 . 1 . 1 28 28 GLN N N 15 120.996 . . . . . . . . 28 GLN N . 52913 4 51 . 1 . 1 29 29 SER H H 1 8.294 . . . . . . . . 29 SER H . 52913 4 52 . 1 . 1 29 29 SER N N 15 116.577 . . . . . . . . 29 SER N . 52913 4 53 . 1 . 1 30 30 SER H H 1 8.291 . . . . . . . . 30 SER H . 52913 4 54 . 1 . 1 30 30 SER N N 15 117.458 . . . . . . . . 30 SER N . 52913 4 55 . 1 . 1 31 31 GLN H H 1 8.221 . . . . . . . . 31 GLN H . 52913 4 56 . 1 . 1 31 31 GLN N N 15 122.304 . . . . . . . . 31 GLN N . 52913 4 57 . 1 . 1 33 33 TYR H H 1 8.15 . . . . . . . . 33 TYR H . 52913 4 58 . 1 . 1 33 33 TYR N N 15 119.964 . . . . . . . . 33 TYR N . 52913 4 59 . 1 . 1 34 34 GLY H H 1 8.2 . . . . . . . . 34 GLY H . 52913 4 60 . 1 . 1 34 34 GLY N N 15 110.541 . . . . . . . . 34 GLY N . 52913 4 61 . 1 . 1 35 35 GLN H H 1 8.139 . . . . . . . . 35 GLN H . 52913 4 62 . 1 . 1 35 35 GLN N N 15 119.695 . . . . . . . . 35 GLN N . 52913 4 63 . 1 . 1 36 36 GLN H H 1 8.421 . . . . . . . . 36 GLN H . 52913 4 64 . 1 . 1 36 36 GLN N N 15 121.289 . . . . . . . . 36 GLN N . 52913 4 65 . 1 . 1 37 37 SER H H 1 8.249 . . . . . . . . 37 SER H . 52913 4 66 . 1 . 1 37 37 SER N N 15 116.545 . . . . . . . . 37 SER N . 52913 4 67 . 1 . 1 38 38 TYR H H 1 8.218 . . . . . . . . 38 TYR H . 52913 4 68 . 1 . 1 38 38 TYR N N 15 122.239 . . . . . . . . 38 TYR N . 52913 4 69 . 1 . 1 39 39 SER H H 1 8.245 . . . . . . . . 39 SER H . 52913 4 70 . 1 . 1 39 39 SER N N 15 117.778 . . . . . . . . 39 SER N . 52913 4 71 . 1 . 1 40 40 GLY H H 1 7.815 . . . . . . . . 40 GLY H . 52913 4 72 . 1 . 1 40 40 GLY N N 15 110.105 . . . . . . . . 40 GLY N . 52913 4 73 . 1 . 1 41 41 TYR H H 1 7.964 . . . . . . . . 41 TYR H . 52913 4 74 . 1 . 1 41 41 TYR N N 15 119.955 . . . . . . . . 41 TYR N . 52913 4 75 . 1 . 1 42 42 SER H H 1 8.179 . . . . . . . . 42 SER H . 52913 4 76 . 1 . 1 42 42 SER N N 15 117.72 . . . . . . . . 42 SER N . 52913 4 77 . 1 . 1 43 43 GLN H H 1 8.335 . . . . . . . . 43 GLN H . 52913 4 78 . 1 . 1 43 43 GLN N N 15 122.232 . . . . . . . . 43 GLN N . 52913 4 79 . 1 . 1 44 44 SER H H 1 8.335 . . . . . . . . 44 SER H . 52913 4 80 . 1 . 1 44 44 SER N N 15 116.672 . . . . . . . . 44 SER N . 52913 4 81 . 1 . 1 45 45 THR H H 1 8.161 . . . . . . . . 45 THR H . 52913 4 82 . 1 . 1 45 45 THR N N 15 115.295 . . . . . . . . 45 THR N . 52913 4 83 . 1 . 1 46 46 ASP H H 1 8.315 . . . . . . . . 46 ASP H . 52913 4 84 . 1 . 1 46 46 ASP N N 15 122.63 . . . . . . . . 46 ASP N . 52913 4 85 . 1 . 1 47 47 THR H H 1 8.199 . . . . . . . . 47 THR H . 52913 4 86 . 1 . 1 47 47 THR N N 15 114.475 . . . . . . . . 47 THR N . 52913 4 87 . 1 . 1 48 48 SER H H 1 8.36 . . . . . . . . 48 SER H . 52913 4 88 . 1 . 1 48 48 SER N N 15 118.174 . . . . . . . . 48 SER N . 52913 4 89 . 1 . 1 49 49 GLY H H 1 8.311 . . . . . . . . 49 GLY H . 52913 4 90 . 1 . 1 49 49 GLY N N 15 110.296 . . . . . . . . 49 GLY N . 52913 4 91 . 1 . 1 50 50 TYR H H 1 8.042 . . . . . . . . 50 TYR H . 52913 4 92 . 1 . 1 50 50 TYR N N 15 120.058 . . . . . . . . 50 TYR N . 52913 4 93 . 1 . 1 51 51 GLY H H 1 8.354 . . . . . . . . 51 GLY H . 52913 4 94 . 1 . 1 51 51 GLY N N 15 110.678 . . . . . . . . 51 GLY N . 52913 4 95 . 1 . 1 52 52 GLN H H 1 8.142 . . . . . . . . 52 GLN H . 52913 4 96 . 1 . 1 52 52 GLN N N 15 119.722 . . . . . . . . 52 GLN N . 52913 4 97 . 1 . 1 53 53 SER H H 1 8.384 . . . . . . . . 53 SER H . 52913 4 98 . 1 . 1 53 53 SER N N 15 116.673 . . . . . . . . 53 SER N . 52913 4 99 . 1 . 1 54 54 SER H H 1 8.263 . . . . . . . . 54 SER H . 52913 4 100 . 1 . 1 54 54 SER N N 15 117.387 . . . . . . . . 54 SER N . 52913 4 101 . 1 . 1 55 55 TYR H H 1 8.11 . . . . . . . . 55 TYR H . 52913 4 102 . 1 . 1 55 55 TYR N N 15 121.746 . . . . . . . . 55 TYR N . 52913 4 103 . 1 . 1 56 56 SER H H 1 8.083 . . . . . . . . 56 SER H . 52913 4 104 . 1 . 1 56 56 SER N N 15 116.913 . . . . . . . . 56 SER N . 52913 4 105 . 1 . 1 57 57 SER H H 1 8.183 . . . . . . . . 57 SER H . 52913 4 106 . 1 . 1 57 57 SER N N 15 117.678 . . . . . . . . 57 SER N . 52913 4 107 . 1 . 1 58 58 TYR H H 1 8.105 . . . . . . . . 58 TYR H . 52913 4 108 . 1 . 1 58 58 TYR N N 15 121.784 . . . . . . . . 58 TYR N . 52913 4 109 . 1 . 1 59 59 GLY H H 1 8.245 . . . . . . . . 59 GLY H . 52913 4 110 . 1 . 1 59 59 GLY N N 15 110.433 . . . . . . . . 59 GLY N . 52913 4 111 . 1 . 1 60 60 GLN H H 1 8.103 . . . . . . . . 60 GLN H . 52913 4 112 . 1 . 1 60 60 GLN N N 15 119.592 . . . . . . . . 60 GLN N . 52913 4 113 . 1 . 1 61 61 SER H H 1 8.343 . . . . . . . . 61 SER H . 52913 4 114 . 1 . 1 61 61 SER N N 15 116.688 . . . . . . . . 61 SER N . 52913 4 115 . 1 . 1 62 62 GLN H H 1 8.397 . . . . . . . . 62 GLN H . 52913 4 116 . 1 . 1 62 62 GLN N N 15 121.486 . . . . . . . . 62 GLN N . 52913 4 117 . 1 . 1 63 63 ASN H H 1 8.432 . . . . . . . . 63 ASN H . 52913 4 118 . 1 . 1 63 63 ASN N N 15 119.561 . . . . . . . . 63 ASN N . 52913 4 119 . 1 . 1 64 64 THR H H 1 8.11 . . . . . . . . 64 THR H . 52913 4 120 . 1 . 1 64 64 THR N N 15 113.703 . . . . . . . . 64 THR N . 52913 4 121 . 1 . 1 65 65 GLY H H 1 8.323 . . . . . . . . 65 GLY H . 52913 4 122 . 1 . 1 65 65 GLY N N 15 110.511 . . . . . . . . 65 GLY N . 52913 4 123 . 1 . 1 67 67 GLY H H 1 8.346 . . . . . . . . 67 GLY H . 52913 4 124 . 1 . 1 67 67 GLY N N 15 110.756 . . . . . . . . 67 GLY N . 52913 4 125 . 1 . 1 68 68 THR H H 1 8.039 . . . . . . . . 68 THR H . 52913 4 126 . 1 . 1 68 68 THR N N 15 113.412 . . . . . . . . 68 THR N . 52913 4 127 . 1 . 1 69 69 GLN H H 1 8.441 . . . . . . . . 69 GLN H . 52913 4 128 . 1 . 1 69 69 GLN N N 15 122.3 . . . . . . . . 69 GLN N . 52913 4 129 . 1 . 1 70 70 SER H H 1 8.337 . . . . . . . . 70 SER H . 52913 4 130 . 1 . 1 70 70 SER N N 15 117.046 . . . . . . . . 70 SER N . 52913 4 131 . 1 . 1 71 71 THR H H 1 8.129 . . . . . . . . 71 THR H . 52913 4 132 . 1 . 1 71 71 THR N N 15 117.511 . . . . . . . . 71 THR N . 52913 4 133 . 1 . 1 73 73 GLN H H 1 8.424 . . . . . . . . 73 GLN H . 52913 4 134 . 1 . 1 73 73 GLN N N 15 120.343 . . . . . . . . 73 GLN N . 52913 4 135 . 1 . 1 74 74 GLY H H 1 8.312 . . . . . . . . 74 GLY H . 52913 4 136 . 1 . 1 74 74 GLY N N 15 109.83 . . . . . . . . 74 GLY N . 52913 4 137 . 1 . 1 75 75 TYR H H 1 8.075 . . . . . . . . 75 TYR H . 52913 4 138 . 1 . 1 75 75 TYR N N 15 120.189 . . . . . . . . 75 TYR N . 52913 4 139 . 1 . 1 76 76 GLY H H 1 8.364 . . . . . . . . 76 GLY H . 52913 4 140 . 1 . 1 76 76 GLY N N 15 110.802 . . . . . . . . 76 GLY N . 52913 4 141 . 1 . 1 77 77 SER H H 1 8.184 . . . . . . . . 77 SER H . 52913 4 142 . 1 . 1 77 77 SER N N 15 115.594 . . . . . . . . 77 SER N . 52913 4 143 . 1 . 1 78 78 THR H H 1 8.224 . . . . . . . . 78 THR H . 52913 4 144 . 1 . 1 78 78 THR N N 15 114.812 . . . . . . . . 78 THR N . 52913 4 145 . 1 . 1 79 79 GLY H H 1 8.32 . . . . . . . . 79 GLY H . 52913 4 146 . 1 . 1 79 79 GLY N N 15 110.698 . . . . . . . . 79 GLY N . 52913 4 147 . 1 . 1 80 80 GLY H H 1 8.15 . . . . . . . . 80 GLY H . 52913 4 148 . 1 . 1 80 80 GLY N N 15 108.337 . . . . . . . . 80 GLY N . 52913 4 149 . 1 . 1 81 81 TYR H H 1 8.131 . . . . . . . . 81 TYR H . 52913 4 150 . 1 . 1 81 81 TYR N N 15 120.185 . . . . . . . . 81 TYR N . 52913 4 151 . 1 . 1 82 82 GLY H H 1 8.37 . . . . . . . . 82 GLY H . 52913 4 152 . 1 . 1 82 82 GLY N N 15 110.887 . . . . . . . . 82 GLY N . 52913 4 153 . 1 . 1 83 83 SER H H 1 8.151 . . . . . . . . 83 SER H . 52913 4 154 . 1 . 1 83 83 SER N N 15 115.519 . . . . . . . . 83 SER N . 52913 4 155 . 1 . 1 84 84 SER H H 1 8.409 . . . . . . . . 84 SER H . 52913 4 156 . 1 . 1 84 84 SER N N 15 117.626 . . . . . . . . 84 SER N . 52913 4 157 . 1 . 1 85 85 GLN H H 1 8.379 . . . . . . . . 85 GLN H . 52913 4 158 . 1 . 1 85 85 GLN N N 15 121.831 . . . . . . . . 85 GLN N . 52913 4 159 . 1 . 1 86 86 SER H H 1 8.29 . . . . . . . . 86 SER H . 52913 4 160 . 1 . 1 86 86 SER N N 15 116.465 . . . . . . . . 86 SER N . 52913 4 161 . 1 . 1 87 87 SER H H 1 8.325 . . . . . . . . 87 SER H . 52913 4 162 . 1 . 1 87 87 SER N N 15 117.501 . . . . . . . . 87 SER N . 52913 4 163 . 1 . 1 88 88 GLN H H 1 8.33 . . . . . . . . 88 GLN H . 52913 4 164 . 1 . 1 88 88 GLN N N 15 121.765 . . . . . . . . 88 GLN N . 52913 4 165 . 1 . 1 89 89 SER H H 1 8.27 . . . . . . . . 89 SER H . 52913 4 166 . 1 . 1 89 89 SER N N 15 116.455 . . . . . . . . 89 SER N . 52913 4 167 . 1 . 1 90 90 SER H H 1 8.228 . . . . . . . . 90 SER H . 52913 4 168 . 1 . 1 90 90 SER N N 15 117.466 . . . . . . . . 90 SER N . 52913 4 169 . 1 . 1 91 91 TYR H H 1 8.135 . . . . . . . . 91 TYR H . 52913 4 170 . 1 . 1 91 91 TYR N N 15 121.828 . . . . . . . . 91 TYR N . 52913 4 171 . 1 . 1 92 92 GLY H H 1 8.247 . . . . . . . . 92 GLY H . 52913 4 172 . 1 . 1 92 92 GLY N N 15 110.368 . . . . . . . . 92 GLY N . 52913 4 173 . 1 . 1 93 93 GLN H H 1 8.144 . . . . . . . . 93 GLN H . 52913 4 174 . 1 . 1 93 93 GLN N N 15 119.665 . . . . . . . . 93 GLN N . 52913 4 175 . 1 . 1 95 95 SER H H 1 8.297 . . . . . . . . 95 SER H . 52913 4 176 . 1 . 1 95 95 SER N N 15 116.533 . . . . . . . . 95 SER N . 52913 4 177 . 1 . 1 96 96 SER H H 1 8.145 . . . . . . . . 96 SER H . 52913 4 178 . 1 . 1 96 96 SER N N 15 117.042 . . . . . . . . 96 SER N . 52913 4 179 . 1 . 1 97 97 TYR H H 1 8.084 . . . . . . . . 97 TYR H . 52913 4 180 . 1 . 1 97 97 TYR N N 15 122.713 . . . . . . . . 97 TYR N . 52913 4 181 . 1 . 1 99 99 GLY H H 1 7.91 . . . . . . . . 99 GLY H . 52913 4 182 . 1 . 1 99 99 GLY N N 15 108.591 . . . . . . . . 99 GLY N . 52913 4 183 . 1 . 1 100 100 TYR H H 1 7.919 . . . . . . . . 100 TYR H . 52913 4 184 . 1 . 1 100 100 TYR N N 15 120.037 . . . . . . . . 100 TYR N . 52913 4 185 . 1 . 1 101 101 GLY H H 1 8.35 . . . . . . . . 101 GLY H . 52913 4 186 . 1 . 1 101 101 GLY N N 15 111.05 . . . . . . . . 101 GLY N . 52913 4 187 . 1 . 1 102 102 GLN H H 1 8.085 . . . . . . . . 102 GLN H . 52913 4 188 . 1 . 1 102 102 GLN N N 15 119.529 . . . . . . . . 102 GLN N . 52913 4 189 . 1 . 1 103 103 GLN H H 1 8.404 . . . . . . . . 103 GLN H . 52913 4 190 . 1 . 1 103 103 GLN N N 15 122.636 . . . . . . . . 103 GLN N . 52913 4 191 . 1 . 1 105 105 ALA H H 1 8.362 . . . . . . . . 105 ALA H . 52913 4 192 . 1 . 1 105 105 ALA N N 15 125.501 . . . . . . . . 105 ALA N . 52913 4 193 . 1 . 1 107 107 SER H H 1 8.379 . . . . . . . . 107 SER H . 52913 4 194 . 1 . 1 107 107 SER N N 15 115.65 . . . . . . . . 107 SER N . 52913 4 195 . 1 . 1 108 108 SER H H 1 8.387 . . . . . . . . 108 SER H . 52913 4 196 . 1 . 1 108 108 SER N N 15 117.559 . . . . . . . . 108 SER N . 52913 4 197 . 1 . 1 109 109 THR H H 1 8.2 . . . . . . . . 109 THR H . 52913 4 198 . 1 . 1 109 109 THR N N 15 114.864 . . . . . . . . 109 THR N . 52913 4 199 . 1 . 1 110 110 SER H H 1 8.245 . . . . . . . . 110 SER H . 52913 4 200 . 1 . 1 110 110 SER N N 15 117.739 . . . . . . . . 110 SER N . 52913 4 201 . 1 . 1 111 111 GLY H H 1 8.351 . . . . . . . . 111 GLY H . 52913 4 202 . 1 . 1 111 111 GLY N N 15 110.728 . . . . . . . . 111 GLY N . 52913 4 203 . 1 . 1 112 112 SER H H 1 8.107 . . . . . . . . 112 SER H . 52913 4 204 . 1 . 1 112 112 SER N N 15 115.449 . . . . . . . . 112 SER N . 52913 4 205 . 1 . 1 113 113 TYR H H 1 8.254 . . . . . . . . 113 TYR H . 52913 4 206 . 1 . 1 113 113 TYR N N 15 122.231 . . . . . . . . 113 TYR N . 52913 4 207 . 1 . 1 114 114 GLY H H 1 8.289 . . . . . . . . 114 GLY H . 52913 4 208 . 1 . 1 114 114 GLY N N 15 110.611 . . . . . . . . 114 GLY N . 52913 4 209 . 1 . 1 115 115 SER H H 1 8.177 . . . . . . . . 115 SER H . 52913 4 210 . 1 . 1 115 115 SER N N 15 115.589 . . . . . . . . 115 SER N . 52913 4 211 . 1 . 1 116 116 SER H H 1 8.422 . . . . . . . . 116 SER H . 52913 4 212 . 1 . 1 116 116 SER N N 15 117.687 . . . . . . . . 116 SER N . 52913 4 213 . 1 . 1 117 117 SER H H 1 8.325 . . . . . . . . 117 SER H . 52913 4 214 . 1 . 1 117 117 SER N N 15 117.681 . . . . . . . . 117 SER N . 52913 4 215 . 1 . 1 118 118 GLN H H 1 8.322 . . . . . . . . 118 GLN H . 52913 4 216 . 1 . 1 118 118 GLN N N 15 121.816 . . . . . . . . 118 GLN N . 52913 4 217 . 1 . 1 119 119 SER H H 1 8.289 . . . . . . . . 119 SER H . 52913 4 218 . 1 . 1 119 119 SER N N 15 116.523 . . . . . . . . 119 SER N . 52913 4 219 . 1 . 1 120 120 SER H H 1 8.323 . . . . . . . . 120 SER H . 52913 4 220 . 1 . 1 120 120 SER N N 15 117.638 . . . . . . . . 120 SER N . 52913 4 221 . 1 . 1 121 121 SER H H 1 8.236 . . . . . . . . 121 SER H . 52913 4 222 . 1 . 1 121 121 SER N N 15 117.408 . . . . . . . . 121 SER N . 52913 4 223 . 1 . 1 122 122 TYR H H 1 8.082 . . . . . . . . 122 TYR H . 52913 4 224 . 1 . 1 122 122 TYR N N 15 121.889 . . . . . . . . 122 TYR N . 52913 4 225 . 1 . 1 123 123 GLY H H 1 8.22 . . . . . . . . 123 GLY H . 52913 4 226 . 1 . 1 123 123 GLY N N 15 110.6 . . . . . . . . 123 GLY N . 52913 4 227 . 1 . 1 124 124 GLN H H 1 8.064 . . . . . . . . 124 GLN H . 52913 4 228 . 1 . 1 124 124 GLN N N 15 120.449 . . . . . . . . 124 GLN N . 52913 4 229 . 1 . 1 126 126 GLN H H 1 8.55 . . . . . . . . 126 GLN H . 52913 4 230 . 1 . 1 126 126 GLN N N 15 120.652 . . . . . . . . 126 GLN N . 52913 4 231 . 1 . 1 127 127 SER H H 1 8.352 . . . . . . . . 127 SER H . 52913 4 232 . 1 . 1 127 127 SER N N 15 116.759 . . . . . . . . 127 SER N . 52913 4 233 . 1 . 1 128 128 GLY H H 1 8.414 . . . . . . . . 128 GLY H . 52913 4 234 . 1 . 1 128 128 GLY N N 15 110.744 . . . . . . . . 128 GLY N . 52913 4 235 . 1 . 1 129 129 SER H H 1 8.122 . . . . . . . . 129 SER H . 52913 4 236 . 1 . 1 129 129 SER N N 15 115.404 . . . . . . . . 129 SER N . 52913 4 237 . 1 . 1 131 131 SER H H 1 8.116 . . . . . . . . 131 SER H . 52913 4 238 . 1 . 1 131 131 SER N N 15 117.012 . . . . . . . . 131 SER N . 52913 4 239 . 1 . 1 132 132 GLN H H 1 8.235 . . . . . . . . 132 GLN H . 52913 4 240 . 1 . 1 132 132 GLN N N 15 121.84 . . . . . . . . 132 GLN N . 52913 4 241 . 1 . 1 133 133 GLN H H 1 8.308 . . . . . . . . 133 GLN H . 52913 4 242 . 1 . 1 133 133 GLN N N 15 122.395 . . . . . . . . 133 GLN N . 52913 4 243 . 1 . 1 135 135 SER H H 1 8.28 . . . . . . . . 135 SER H . 52913 4 244 . 1 . 1 135 135 SER N N 15 115.499 . . . . . . . . 135 SER N . 52913 4 245 . 1 . 1 136 136 TYR H H 1 8.188 . . . . . . . . 136 TYR H . 52913 4 246 . 1 . 1 136 136 TYR N N 15 122.067 . . . . . . . . 136 TYR N . 52913 4 247 . 1 . 1 137 137 GLY H H 1 8.343 . . . . . . . . 137 GLY H . 52913 4 248 . 1 . 1 137 137 GLY N N 15 110.781 . . . . . . . . 137 GLY N . 52913 4 249 . 1 . 1 138 138 GLY H H 1 7.95 . . . . . . . . 138 GLY H . 52913 4 250 . 1 . 1 138 138 GLY N N 15 108.267 . . . . . . . . 138 GLY N . 52913 4 251 . 1 . 1 139 139 GLN H H 1 8.269 . . . . . . . . 139 GLN H . 52913 4 252 . 1 . 1 139 139 GLN N N 15 119.665 . . . . . . . . 139 GLN N . 52913 4 253 . 1 . 1 140 140 GLN H H 1 8.465 . . . . . . . . 140 GLN H . 52913 4 254 . 1 . 1 140 140 GLN N N 15 121.42 . . . . . . . . 140 GLN N . 52913 4 255 . 1 . 1 141 141 GLN H H 1 8.401 . . . . . . . . 141 GLN H . 52913 4 256 . 1 . 1 141 141 GLN N N 15 121.377 . . . . . . . . 141 GLN N . 52913 4 257 . 1 . 1 142 142 SER H H 1 8.253 . . . . . . . . 142 SER H . 52913 4 258 . 1 . 1 142 142 SER N N 15 116.594 . . . . . . . . 142 SER N . 52913 4 259 . 1 . 1 143 143 TYR H H 1 8.222 . . . . . . . . 143 TYR H . 52913 4 260 . 1 . 1 143 143 TYR N N 15 122.086 . . . . . . . . 143 TYR N . 52913 4 261 . 1 . 1 144 144 GLY H H 1 8.312 . . . . . . . . 144 GLY H . 52913 4 262 . 1 . 1 144 144 GLY N N 15 110.229 . . . . . . . . 144 GLY N . 52913 4 263 . 1 . 1 145 145 GLN H H 1 8.174 . . . . . . . . 145 GLN H . 52913 4 264 . 1 . 1 145 145 GLN N N 15 119.727 . . . . . . . . 145 GLN N . 52913 4 265 . 1 . 1 146 146 GLN H H 1 8.444 . . . . . . . . 146 GLN H . 52913 4 266 . 1 . 1 146 146 GLN N N 15 121.299 . . . . . . . . 146 GLN N . 52913 4 267 . 1 . 1 147 147 GLN H H 1 8.414 . . . . . . . . 147 GLN H . 52913 4 268 . 1 . 1 147 147 GLN N N 15 121.349 . . . . . . . . 147 GLN N . 52913 4 269 . 1 . 1 148 148 SER H H 1 8.255 . . . . . . . . 148 SER H . 52913 4 270 . 1 . 1 148 148 SER N N 15 116.648 . . . . . . . . 148 SER N . 52913 4 271 . 1 . 1 149 149 TYR H H 1 8.189 . . . . . . . . 149 TYR H . 52913 4 272 . 1 . 1 149 149 TYR N N 15 122.346 . . . . . . . . 149 TYR N . 52913 4 273 . 1 . 1 150 150 ASN H H 1 8.21 . . . . . . . . 150 ASN H . 52913 4 274 . 1 . 1 150 150 ASN N N 15 123.092 . . . . . . . . 150 ASN N . 52913 4 275 . 1 . 1 153 153 GLN H H 1 8.443 . . . . . . . . 153 GLN H . 52913 4 276 . 1 . 1 153 153 GLN N N 15 119.976 . . . . . . . . 153 GLN N . 52913 4 277 . 1 . 1 154 154 GLY H H 1 8.343 . . . . . . . . 154 GLY H . 52913 4 278 . 1 . 1 154 154 GLY N N 15 109.96 . . . . . . . . 154 GLY N . 52913 4 279 . 1 . 1 155 155 TYR H H 1 8.108 . . . . . . . . 155 TYR H . 52913 4 280 . 1 . 1 155 155 TYR N N 15 120.032 . . . . . . . . 155 TYR N . 52913 4 281 . 1 . 1 156 156 GLY H H 1 8.392 . . . . . . . . 156 GLY H . 52913 4 282 . 1 . 1 156 156 GLY N N 15 110.827 . . . . . . . . 156 GLY N . 52913 4 283 . 1 . 1 157 157 GLN H H 1 8.17 . . . . . . . . 157 GLN H . 52913 4 284 . 1 . 1 157 157 GLN N N 15 119.691 . . . . . . . . 157 GLN N . 52913 4 285 . 1 . 1 158 158 GLN H H 1 8.467 . . . . . . . . 158 GLN H . 52913 4 286 . 1 . 1 158 158 GLN N N 15 120.979 . . . . . . . . 158 GLN N . 52913 4 287 . 1 . 1 159 159 ASN H H 1 8.437 . . . . . . . . 159 ASN H . 52913 4 288 . 1 . 1 159 159 ASN N N 15 119.499 . . . . . . . . 159 ASN N . 52913 4 289 . 1 . 1 160 160 GLN H H 1 8.29 . . . . . . . . 160 GLN H . 52913 4 290 . 1 . 1 160 160 GLN N N 15 120.122 . . . . . . . . 160 GLN N . 52913 4 291 . 1 . 1 161 161 TYR H H 1 8.189 . . . . . . . . 161 TYR H . 52913 4 292 . 1 . 1 161 161 TYR N N 15 120.446 . . . . . . . . 161 TYR N . 52913 4 293 . 1 . 1 162 162 ASN H H 1 8.273 . . . . . . . . 162 ASN H . 52913 4 294 . 1 . 1 162 162 ASN N N 15 120.464 . . . . . . . . 162 ASN N . 52913 4 295 . 1 . 1 163 163 SER H H 1 7.835 . . . . . . . . 163 SER H . 52913 4 296 . 1 . 1 163 163 SER N N 15 121.33 . . . . . . . . 163 SER N . 52913 4 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name '5% 1,2HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 52913 5 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0065590309218452 . 52913 5 na 'all 15N' . -0.0065590309218452 . 52913 5 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.532 . . . . . . . . 2 ALA H . 52913 5 2 . 1 . 1 2 2 ALA N N 15 125.735 . . . . . . . . 2 ALA N . 52913 5 3 . 1 . 1 3 3 SER H H 1 8.267 . . . . . . . . 3 SER H . 52913 5 4 . 1 . 1 3 3 SER N N 15 114.966 . . . . . . . . 3 SER N . 52913 5 5 . 1 . 1 4 4 ASN H H 1 8.392 . . . . . . . . 4 ASN H . 52913 5 6 . 1 . 1 4 4 ASN N N 15 120.26 . . . . . . . . 4 ASN N . 52913 5 7 . 1 . 1 5 5 ASP H H 1 8.14 . . . . . . . . 5 ASP H . 52913 5 8 . 1 . 1 5 5 ASP N N 15 120.045 . . . . . . . . 5 ASP N . 52913 5 9 . 1 . 1 6 6 TYR H H 1 8.161 . . . . . . . . 6 TYR H . 52913 5 10 . 1 . 1 6 6 TYR N N 15 120.927 . . . . . . . . 6 TYR N . 52913 5 11 . 1 . 1 7 7 THR H H 1 8.038 . . . . . . . . 7 THR H . 52913 5 12 . 1 . 1 7 7 THR N N 15 115.016 . . . . . . . . 7 THR N . 52913 5 13 . 1 . 1 8 8 GLN H H 1 8.181 . . . . . . . . 8 GLN H . 52913 5 14 . 1 . 1 8 8 GLN N N 15 121.984 . . . . . . . . 8 GLN N . 52913 5 15 . 1 . 1 9 9 GLN H H 1 8.249 . . . . . . . . 9 GLN H . 52913 5 16 . 1 . 1 9 9 GLN N N 15 120.974 . . . . . . . . 9 GLN N . 52913 5 17 . 1 . 1 10 10 ALA H H 1 8.328 . . . . . . . . 10 ALA H . 52913 5 18 . 1 . 1 10 10 ALA N N 15 124.824 . . . . . . . . 10 ALA N . 52913 5 19 . 1 . 1 11 11 THR H H 1 8.042 . . . . . . . . 11 THR H . 52913 5 20 . 1 . 1 11 11 THR N N 15 112.864 . . . . . . . . 11 THR N . 52913 5 21 . 1 . 1 12 12 GLN H H 1 8.269 . . . . . . . . 12 GLN H . 52913 5 22 . 1 . 1 12 12 GLN N N 15 122.175 . . . . . . . . 12 GLN N . 52913 5 23 . 1 . 1 13 13 SER H H 1 8.225 . . . . . . . . 13 SER H . 52913 5 24 . 1 . 1 13 13 SER N N 15 116.685 . . . . . . . . 13 SER N . 52913 5 25 . 1 . 1 14 14 TYR H H 1 8.182 . . . . . . . . 14 TYR H . 52913 5 26 . 1 . 1 14 14 TYR N N 15 122.035 . . . . . . . . 14 TYR N . 52913 5 27 . 1 . 1 15 15 GLY H H 1 8.208 . . . . . . . . 15 GLY H . 52913 5 28 . 1 . 1 15 15 GLY N N 15 110.294 . . . . . . . . 15 GLY N . 52913 5 29 . 1 . 1 16 16 ALA H H 1 7.923 . . . . . . . . 16 ALA H . 52913 5 30 . 1 . 1 16 16 ALA N N 15 123.227 . . . . . . . . 16 ALA N . 52913 5 31 . 1 . 1 17 17 TYR H H 1 8.04 . . . . . . . . 17 TYR H . 52913 5 32 . 1 . 1 17 17 TYR N N 15 120.092 . . . . . . . . 17 TYR N . 52913 5 33 . 1 . 1 19 19 THR H H 1 8.113 . . . . . . . . 19 THR H . 52913 5 34 . 1 . 1 19 19 THR N N 15 114.047 . . . . . . . . 19 THR N . 52913 5 35 . 1 . 1 20 20 GLN H H 1 8.276 . . . . . . . . 20 GLN H . 52913 5 36 . 1 . 1 20 20 GLN N N 15 123.136 . . . . . . . . 20 GLN N . 52913 5 37 . 1 . 1 22 22 GLY H H 1 8.484 . . . . . . . . 22 GLY H . 52913 5 38 . 1 . 1 22 22 GLY N N 15 109.479 . . . . . . . . 22 GLY N . 52913 5 39 . 1 . 1 23 23 GLN H H 1 8.144 . . . . . . . . 23 GLN H . 52913 5 40 . 1 . 1 23 23 GLN N N 15 119.381 . . . . . . . . 23 GLN N . 52913 5 41 . 1 . 1 24 24 GLY H H 1 8.414 . . . . . . . . 24 GLY H . 52913 5 42 . 1 . 1 24 24 GLY N N 15 109.699 . . . . . . . . 24 GLY N . 52913 5 43 . 1 . 1 25 25 TYR H H 1 8.038 . . . . . . . . 25 TYR H . 52913 5 44 . 1 . 1 25 25 TYR N N 15 120.062 . . . . . . . . 25 TYR N . 52913 5 45 . 1 . 1 26 26 SER H H 1 8.215 . . . . . . . . 26 SER H . 52913 5 46 . 1 . 1 26 26 SER N N 15 117.459 . . . . . . . . 26 SER N . 52913 5 47 . 1 . 1 27 27 GLN H H 1 8.352 . . . . . . . . 27 GLN H . 52913 5 48 . 1 . 1 27 27 GLN N N 15 122.17 . . . . . . . . 27 GLN N . 52913 5 49 . 1 . 1 28 28 GLN H H 1 8.35 . . . . . . . . 28 GLN H . 52913 5 50 . 1 . 1 28 28 GLN N N 15 120.968 . . . . . . . . 28 GLN N . 52913 5 51 . 1 . 1 29 29 SER H H 1 8.287 . . . . . . . . 29 SER H . 52913 5 52 . 1 . 1 29 29 SER N N 15 116.52 . . . . . . . . 29 SER N . 52913 5 53 . 1 . 1 30 30 SER H H 1 8.284 . . . . . . . . 30 SER H . 52913 5 54 . 1 . 1 30 30 SER N N 15 117.422 . . . . . . . . 30 SER N . 52913 5 55 . 1 . 1 31 31 GLN H H 1 8.217 . . . . . . . . 31 GLN H . 52913 5 56 . 1 . 1 31 31 GLN N N 15 122.264 . . . . . . . . 31 GLN N . 52913 5 57 . 1 . 1 33 33 TYR H H 1 8.141 . . . . . . . . 33 TYR H . 52913 5 58 . 1 . 1 33 33 TYR N N 15 119.896 . . . . . . . . 33 TYR N . 52913 5 59 . 1 . 1 34 34 GLY H H 1 8.196 . . . . . . . . 34 GLY H . 52913 5 60 . 1 . 1 34 34 GLY N N 15 110.497 . . . . . . . . 34 GLY N . 52913 5 61 . 1 . 1 35 35 GLN H H 1 8.135 . . . . . . . . 35 GLN H . 52913 5 62 . 1 . 1 35 35 GLN N N 15 119.655 . . . . . . . . 35 GLN N . 52913 5 63 . 1 . 1 36 36 GLN H H 1 8.42 . . . . . . . . 36 GLN H . 52913 5 64 . 1 . 1 36 36 GLN N N 15 121.239 . . . . . . . . 36 GLN N . 52913 5 65 . 1 . 1 37 37 SER H H 1 8.242 . . . . . . . . 37 SER H . 52913 5 66 . 1 . 1 37 37 SER N N 15 116.502 . . . . . . . . 37 SER N . 52913 5 67 . 1 . 1 38 38 TYR H H 1 8.214 . . . . . . . . 38 TYR H . 52913 5 68 . 1 . 1 38 38 TYR N N 15 122.199 . . . . . . . . 38 TYR N . 52913 5 69 . 1 . 1 39 39 SER H H 1 8.239 . . . . . . . . 39 SER H . 52913 5 70 . 1 . 1 39 39 SER N N 15 117.737 . . . . . . . . 39 SER N . 52913 5 71 . 1 . 1 40 40 GLY H H 1 7.816 . . . . . . . . 40 GLY H . 52913 5 72 . 1 . 1 40 40 GLY N N 15 110.074 . . . . . . . . 40 GLY N . 52913 5 73 . 1 . 1 41 41 TYR H H 1 7.958 . . . . . . . . 41 TYR H . 52913 5 74 . 1 . 1 41 41 TYR N N 15 119.908 . . . . . . . . 41 TYR N . 52913 5 75 . 1 . 1 42 42 SER H H 1 8.175 . . . . . . . . 42 SER H . 52913 5 76 . 1 . 1 42 42 SER N N 15 117.68 . . . . . . . . 42 SER N . 52913 5 77 . 1 . 1 43 43 GLN H H 1 8.332 . . . . . . . . 43 GLN H . 52913 5 78 . 1 . 1 43 43 GLN N N 15 122.192 . . . . . . . . 43 GLN N . 52913 5 79 . 1 . 1 44 44 SER H H 1 8.331 . . . . . . . . 44 SER H . 52913 5 80 . 1 . 1 44 44 SER N N 15 116.632 . . . . . . . . 44 SER N . 52913 5 81 . 1 . 1 45 45 THR H H 1 8.151 . . . . . . . . 45 THR H . 52913 5 82 . 1 . 1 45 45 THR N N 15 115.277 . . . . . . . . 45 THR N . 52913 5 83 . 1 . 1 46 46 ASP H H 1 8.311 . . . . . . . . 46 ASP H . 52913 5 84 . 1 . 1 46 46 ASP N N 15 122.619 . . . . . . . . 46 ASP N . 52913 5 85 . 1 . 1 47 47 THR H H 1 8.192 . . . . . . . . 47 THR H . 52913 5 86 . 1 . 1 47 47 THR N N 15 114.45 . . . . . . . . 47 THR N . 52913 5 87 . 1 . 1 48 48 SER H H 1 8.357 . . . . . . . . 48 SER H . 52913 5 88 . 1 . 1 48 48 SER N N 15 118.164 . . . . . . . . 48 SER N . 52913 5 89 . 1 . 1 49 49 GLY H H 1 8.31 . . . . . . . . 49 GLY H . 52913 5 90 . 1 . 1 49 49 GLY N N 15 110.251 . . . . . . . . 49 GLY N . 52913 5 91 . 1 . 1 50 50 TYR H H 1 8.037 . . . . . . . . 50 TYR H . 52913 5 92 . 1 . 1 50 50 TYR N N 15 120.035 . . . . . . . . 50 TYR N . 52913 5 93 . 1 . 1 51 51 GLY H H 1 8.35 . . . . . . . . 51 GLY H . 52913 5 94 . 1 . 1 51 51 GLY N N 15 110.638 . . . . . . . . 51 GLY N . 52913 5 95 . 1 . 1 52 52 GLN H H 1 8.135 . . . . . . . . 52 GLN H . 52913 5 96 . 1 . 1 52 52 GLN N N 15 119.693 . . . . . . . . 52 GLN N . 52913 5 97 . 1 . 1 53 53 SER H H 1 8.375 . . . . . . . . 53 SER H . 52913 5 98 . 1 . 1 53 53 SER N N 15 116.623 . . . . . . . . 53 SER N . 52913 5 99 . 1 . 1 54 54 SER H H 1 8.259 . . . . . . . . 54 SER H . 52913 5 100 . 1 . 1 54 54 SER N N 15 117.368 . . . . . . . . 54 SER N . 52913 5 101 . 1 . 1 55 55 TYR H H 1 8.106 . . . . . . . . 55 TYR H . 52913 5 102 . 1 . 1 55 55 TYR N N 15 121.706 . . . . . . . . 55 TYR N . 52913 5 103 . 1 . 1 56 56 SER H H 1 8.078 . . . . . . . . 56 SER H . 52913 5 104 . 1 . 1 56 56 SER N N 15 116.84 . . . . . . . . 56 SER N . 52913 5 105 . 1 . 1 57 57 SER H H 1 8.177 . . . . . . . . 57 SER H . 52913 5 106 . 1 . 1 57 57 SER N N 15 117.63 . . . . . . . . 57 SER N . 52913 5 107 . 1 . 1 58 58 TYR H H 1 8.101 . . . . . . . . 58 TYR H . 52913 5 108 . 1 . 1 58 58 TYR N N 15 121.744 . . . . . . . . 58 TYR N . 52913 5 109 . 1 . 1 59 59 GLY H H 1 8.24 . . . . . . . . 59 GLY H . 52913 5 110 . 1 . 1 59 59 GLY N N 15 110.345 . . . . . . . . 59 GLY N . 52913 5 111 . 1 . 1 60 60 GLN H H 1 8.098 . . . . . . . . 60 GLN H . 52913 5 112 . 1 . 1 60 60 GLN N N 15 119.567 . . . . . . . . 60 GLN N . 52913 5 113 . 1 . 1 61 61 SER H H 1 8.338 . . . . . . . . 61 SER H . 52913 5 114 . 1 . 1 61 61 SER N N 15 116.666 . . . . . . . . 61 SER N . 52913 5 115 . 1 . 1 62 62 GLN H H 1 8.391 . . . . . . . . 62 GLN H . 52913 5 116 . 1 . 1 62 62 GLN N N 15 121.51 . . . . . . . . 62 GLN N . 52913 5 117 . 1 . 1 63 63 ASN H H 1 8.425 . . . . . . . . 63 ASN H . 52913 5 118 . 1 . 1 63 63 ASN N N 15 119.534 . . . . . . . . 63 ASN N . 52913 5 119 . 1 . 1 64 64 THR H H 1 8.1 . . . . . . . . 64 THR H . 52913 5 120 . 1 . 1 64 64 THR N N 15 113.656 . . . . . . . . 64 THR N . 52913 5 121 . 1 . 1 65 65 GLY H H 1 8.319 . . . . . . . . 65 GLY H . 52913 5 122 . 1 . 1 65 65 GLY N N 15 110.464 . . . . . . . . 65 GLY N . 52913 5 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 5 124 . 1 . 1 67 67 GLY N N 15 110.691 . . . . . . . . 67 GLY N . 52913 5 125 . 1 . 1 68 68 THR H H 1 8.03 . . . . . . . . 68 THR H . 52913 5 126 . 1 . 1 68 68 THR N N 15 113.39 . . . . . . . . 68 THR N . 52913 5 127 . 1 . 1 69 69 GLN H H 1 8.435 . . . . . . . . 69 GLN H . 52913 5 128 . 1 . 1 69 69 GLN N N 15 122.253 . . . . . . . . 69 GLN N . 52913 5 129 . 1 . 1 70 70 SER H H 1 8.328 . . . . . . . . 70 SER H . 52913 5 130 . 1 . 1 70 70 SER N N 15 117.001 . . . . . . . . 70 SER N . 52913 5 131 . 1 . 1 71 71 THR H H 1 8.12 . . . . . . . . 71 THR H . 52913 5 132 . 1 . 1 71 71 THR N N 15 117.47 . . . . . . . . 71 THR N . 52913 5 133 . 1 . 1 73 73 GLN H H 1 8.419 . . . . . . . . 73 GLN H . 52913 5 134 . 1 . 1 73 73 GLN N N 15 120.302 . . . . . . . . 73 GLN N . 52913 5 135 . 1 . 1 74 74 GLY H H 1 8.308 . . . . . . . . 74 GLY H . 52913 5 136 . 1 . 1 74 74 GLY N N 15 109.796 . . . . . . . . 74 GLY N . 52913 5 137 . 1 . 1 75 75 TYR H H 1 8.072 . . . . . . . . 75 TYR H . 52913 5 138 . 1 . 1 75 75 TYR N N 15 120.167 . . . . . . . . 75 TYR N . 52913 5 139 . 1 . 1 76 76 GLY H H 1 8.36 . . . . . . . . 76 GLY H . 52913 5 140 . 1 . 1 76 76 GLY N N 15 110.762 . . . . . . . . 76 GLY N . 52913 5 141 . 1 . 1 77 77 SER H H 1 8.179 . . . . . . . . 77 SER H . 52913 5 142 . 1 . 1 77 77 SER N N 15 115.571 . . . . . . . . 77 SER N . 52913 5 143 . 1 . 1 78 78 THR H H 1 8.213 . . . . . . . . 78 THR H . 52913 5 144 . 1 . 1 78 78 THR N N 15 114.788 . . . . . . . . 78 THR N . 52913 5 145 . 1 . 1 79 79 GLY H H 1 8.316 . . . . . . . . 79 GLY H . 52913 5 146 . 1 . 1 79 79 GLY N N 15 110.67 . . . . . . . . 79 GLY N . 52913 5 147 . 1 . 1 80 80 GLY H H 1 8.149 . . . . . . . . 80 GLY H . 52913 5 148 . 1 . 1 80 80 GLY N N 15 108.317 . . . . . . . . 80 GLY N . 52913 5 149 . 1 . 1 81 81 TYR H H 1 8.127 . . . . . . . . 81 TYR H . 52913 5 150 . 1 . 1 81 81 TYR N N 15 120.145 . . . . . . . . 81 TYR N . 52913 5 151 . 1 . 1 82 82 GLY H H 1 8.369 . . . . . . . . 82 GLY H . 52913 5 152 . 1 . 1 82 82 GLY N N 15 110.838 . . . . . . . . 82 GLY N . 52913 5 153 . 1 . 1 83 83 SER H H 1 8.144 . . . . . . . . 83 SER H . 52913 5 154 . 1 . 1 83 83 SER N N 15 115.504 . . . . . . . . 83 SER N . 52913 5 155 . 1 . 1 84 84 SER H H 1 8.408 . . . . . . . . 84 SER H . 52913 5 156 . 1 . 1 84 84 SER N N 15 117.619 . . . . . . . . 84 SER N . 52913 5 157 . 1 . 1 85 85 GLN H H 1 8.375 . . . . . . . . 85 GLN H . 52913 5 158 . 1 . 1 85 85 GLN N N 15 121.798 . . . . . . . . 85 GLN N . 52913 5 159 . 1 . 1 86 86 SER H H 1 8.283 . . . . . . . . 86 SER H . 52913 5 160 . 1 . 1 86 86 SER N N 15 116.413 . . . . . . . . 86 SER N . 52913 5 161 . 1 . 1 87 87 SER H H 1 8.321 . . . . . . . . 87 SER H . 52913 5 162 . 1 . 1 87 87 SER N N 15 117.461 . . . . . . . . 87 SER N . 52913 5 163 . 1 . 1 88 88 GLN H H 1 8.326 . . . . . . . . 88 GLN H . 52913 5 164 . 1 . 1 88 88 GLN N N 15 121.725 . . . . . . . . 88 GLN N . 52913 5 165 . 1 . 1 89 89 SER H H 1 8.265 . . . . . . . . 89 SER H . 52913 5 166 . 1 . 1 89 89 SER N N 15 116.412 . . . . . . . . 89 SER N . 52913 5 167 . 1 . 1 90 90 SER H H 1 8.225 . . . . . . . . 90 SER H . 52913 5 168 . 1 . 1 90 90 SER N N 15 117.435 . . . . . . . . 90 SER N . 52913 5 169 . 1 . 1 91 91 TYR H H 1 8.129 . . . . . . . . 91 TYR H . 52913 5 170 . 1 . 1 91 91 TYR N N 15 121.784 . . . . . . . . 91 TYR N . 52913 5 171 . 1 . 1 92 92 GLY H H 1 8.24 . . . . . . . . 92 GLY H . 52913 5 172 . 1 . 1 92 92 GLY N N 15 110.287 . . . . . . . . 92 GLY N . 52913 5 173 . 1 . 1 93 93 GLN H H 1 8.139 . . . . . . . . 93 GLN H . 52913 5 174 . 1 . 1 93 93 GLN N N 15 119.648 . . . . . . . . 93 GLN N . 52913 5 175 . 1 . 1 95 95 SER H H 1 8.289 . . . . . . . . 95 SER H . 52913 5 176 . 1 . 1 95 95 SER N N 15 116.485 . . . . . . . . 95 SER N . 52913 5 177 . 1 . 1 96 96 SER H H 1 8.137 . . . . . . . . 96 SER H . 52913 5 178 . 1 . 1 96 96 SER N N 15 117.006 . . . . . . . . 96 SER N . 52913 5 179 . 1 . 1 97 97 TYR H H 1 8.082 . . . . . . . . 97 TYR H . 52913 5 180 . 1 . 1 97 97 TYR N N 15 122.691 . . . . . . . . 97 TYR N . 52913 5 181 . 1 . 1 99 99 GLY H H 1 7.917 . . . . . . . . 99 GLY H . 52913 5 182 . 1 . 1 99 99 GLY N N 15 108.587 . . . . . . . . 99 GLY N . 52913 5 183 . 1 . 1 100 100 TYR H H 1 7.919 . . . . . . . . 100 TYR H . 52913 5 184 . 1 . 1 100 100 TYR N N 15 120.022 . . . . . . . . 100 TYR N . 52913 5 185 . 1 . 1 101 101 GLY H H 1 8.346 . . . . . . . . 101 GLY H . 52913 5 186 . 1 . 1 101 101 GLY N N 15 111.009 . . . . . . . . 101 GLY N . 52913 5 187 . 1 . 1 102 102 GLN H H 1 8.078 . . . . . . . . 102 GLN H . 52913 5 188 . 1 . 1 102 102 GLN N N 15 119.495 . . . . . . . . 102 GLN N . 52913 5 189 . 1 . 1 103 103 GLN H H 1 8.398 . . . . . . . . 103 GLN H . 52913 5 190 . 1 . 1 103 103 GLN N N 15 122.606 . . . . . . . . 103 GLN N . 52913 5 191 . 1 . 1 105 105 ALA H H 1 8.354 . . . . . . . . 105 ALA H . 52913 5 192 . 1 . 1 105 105 ALA N N 15 125.444 . . . . . . . . 105 ALA N . 52913 5 193 . 1 . 1 107 107 SER H H 1 8.372 . . . . . . . . 107 SER H . 52913 5 194 . 1 . 1 107 107 SER N N 15 115.597 . . . . . . . . 107 SER N . 52913 5 195 . 1 . 1 108 108 SER H H 1 8.381 . . . . . . . . 108 SER H . 52913 5 196 . 1 . 1 108 108 SER N N 15 117.536 . . . . . . . . 108 SER N . 52913 5 197 . 1 . 1 109 109 THR H H 1 8.189 . . . . . . . . 109 THR H . 52913 5 198 . 1 . 1 109 109 THR N N 15 114.823 . . . . . . . . 109 THR N . 52913 5 199 . 1 . 1 110 110 SER H H 1 8.237 . . . . . . . . 110 SER H . 52913 5 200 . 1 . 1 110 110 SER N N 15 117.702 . . . . . . . . 110 SER N . 52913 5 201 . 1 . 1 111 111 GLY H H 1 8.35 . . . . . . . . 111 GLY H . 52913 5 202 . 1 . 1 111 111 GLY N N 15 110.675 . . . . . . . . 111 GLY N . 52913 5 203 . 1 . 1 112 112 SER H H 1 8.101 . . . . . . . . 112 SER H . 52913 5 204 . 1 . 1 112 112 SER N N 15 115.433 . . . . . . . . 112 SER N . 52913 5 205 . 1 . 1 113 113 TYR H H 1 8.249 . . . . . . . . 113 TYR H . 52913 5 206 . 1 . 1 113 113 TYR N N 15 122.201 . . . . . . . . 113 TYR N . 52913 5 207 . 1 . 1 114 114 GLY H H 1 8.285 . . . . . . . . 114 GLY H . 52913 5 208 . 1 . 1 114 114 GLY N N 15 110.584 . . . . . . . . 114 GLY N . 52913 5 209 . 1 . 1 115 115 SER H H 1 8.171 . . . . . . . . 115 SER H . 52913 5 210 . 1 . 1 115 115 SER N N 15 115.562 . . . . . . . . 115 SER N . 52913 5 211 . 1 . 1 116 116 SER H H 1 8.415 . . . . . . . . 116 SER H . 52913 5 212 . 1 . 1 116 116 SER N N 15 117.665 . . . . . . . . 116 SER N . 52913 5 213 . 1 . 1 117 117 SER H H 1 8.315 . . . . . . . . 117 SER H . 52913 5 214 . 1 . 1 117 117 SER N N 15 117.623 . . . . . . . . 117 SER N . 52913 5 215 . 1 . 1 118 118 GLN H H 1 8.318 . . . . . . . . 118 GLN H . 52913 5 216 . 1 . 1 118 118 GLN N N 15 121.776 . . . . . . . . 118 GLN N . 52913 5 217 . 1 . 1 119 119 SER H H 1 8.282 . . . . . . . . 119 SER H . 52913 5 218 . 1 . 1 119 119 SER N N 15 116.474 . . . . . . . . 119 SER N . 52913 5 219 . 1 . 1 120 120 SER H H 1 8.316 . . . . . . . . 120 SER H . 52913 5 220 . 1 . 1 120 120 SER N N 15 117.598 . . . . . . . . 120 SER N . 52913 5 221 . 1 . 1 121 121 SER H H 1 8.231 . . . . . . . . 121 SER H . 52913 5 222 . 1 . 1 121 121 SER N N 15 117.342 . . . . . . . . 121 SER N . 52913 5 223 . 1 . 1 122 122 TYR H H 1 8.075 . . . . . . . . 122 TYR H . 52913 5 224 . 1 . 1 122 122 TYR N N 15 121.841 . . . . . . . . 122 TYR N . 52913 5 225 . 1 . 1 123 123 GLY H H 1 8.217 . . . . . . . . 123 GLY H . 52913 5 226 . 1 . 1 123 123 GLY N N 15 110.555 . . . . . . . . 123 GLY N . 52913 5 227 . 1 . 1 124 124 GLN H H 1 8.057 . . . . . . . . 124 GLN H . 52913 5 228 . 1 . 1 124 124 GLN N N 15 120.423 . . . . . . . . 124 GLN N . 52913 5 229 . 1 . 1 126 126 GLN H H 1 8.543 . . . . . . . . 126 GLN H . 52913 5 230 . 1 . 1 126 126 GLN N N 15 120.594 . . . . . . . . 126 GLN N . 52913 5 231 . 1 . 1 127 127 SER H H 1 8.344 . . . . . . . . 127 SER H . 52913 5 232 . 1 . 1 127 127 SER N N 15 116.718 . . . . . . . . 127 SER N . 52913 5 233 . 1 . 1 128 128 GLY H H 1 8.407 . . . . . . . . 128 GLY H . 52913 5 234 . 1 . 1 128 128 GLY N N 15 110.72 . . . . . . . . 128 GLY N . 52913 5 235 . 1 . 1 129 129 SER H H 1 8.114 . . . . . . . . 129 SER H . 52913 5 236 . 1 . 1 129 129 SER N N 15 115.373 . . . . . . . . 129 SER N . 52913 5 237 . 1 . 1 131 131 SER H H 1 8.108 . . . . . . . . 131 SER H . 52913 5 238 . 1 . 1 131 131 SER N N 15 116.948 . . . . . . . . 131 SER N . 52913 5 239 . 1 . 1 132 132 GLN H H 1 8.231 . . . . . . . . 132 GLN H . 52913 5 240 . 1 . 1 132 132 GLN N N 15 121.81 . . . . . . . . 132 GLN N . 52913 5 241 . 1 . 1 133 133 GLN H H 1 8.299 . . . . . . . . 133 GLN H . 52913 5 242 . 1 . 1 133 133 GLN N N 15 122.375 . . . . . . . . 133 GLN N . 52913 5 243 . 1 . 1 135 135 SER H H 1 8.272 . . . . . . . . 135 SER H . 52913 5 244 . 1 . 1 135 135 SER N N 15 115.456 . . . . . . . . 135 SER N . 52913 5 245 . 1 . 1 136 136 TYR H H 1 8.181 . . . . . . . . 136 TYR H . 52913 5 246 . 1 . 1 136 136 TYR N N 15 122.012 . . . . . . . . 136 TYR N . 52913 5 247 . 1 . 1 137 137 GLY H H 1 8.34 . . . . . . . . 137 GLY H . 52913 5 248 . 1 . 1 137 137 GLY N N 15 110.717 . . . . . . . . 137 GLY N . 52913 5 249 . 1 . 1 138 138 GLY H H 1 7.947 . . . . . . . . 138 GLY H . 52913 5 250 . 1 . 1 138 138 GLY N N 15 108.248 . . . . . . . . 138 GLY N . 52913 5 251 . 1 . 1 139 139 GLN H H 1 8.265 . . . . . . . . 139 GLN H . 52913 5 252 . 1 . 1 139 139 GLN N N 15 119.647 . . . . . . . . 139 GLN N . 52913 5 253 . 1 . 1 140 140 GLN H H 1 8.46 . . . . . . . . 140 GLN H . 52913 5 254 . 1 . 1 140 140 GLN N N 15 121.375 . . . . . . . . 140 GLN N . 52913 5 255 . 1 . 1 141 141 GLN H H 1 8.392 . . . . . . . . 141 GLN H . 52913 5 256 . 1 . 1 141 141 GLN N N 15 121.359 . . . . . . . . 141 GLN N . 52913 5 257 . 1 . 1 142 142 SER H H 1 8.245 . . . . . . . . 142 SER H . 52913 5 258 . 1 . 1 142 142 SER N N 15 116.55 . . . . . . . . 142 SER N . 52913 5 259 . 1 . 1 143 143 TYR H H 1 8.218 . . . . . . . . 143 TYR H . 52913 5 260 . 1 . 1 143 143 TYR N N 15 122.075 . . . . . . . . 143 TYR N . 52913 5 261 . 1 . 1 144 144 GLY H H 1 8.308 . . . . . . . . 144 GLY H . 52913 5 262 . 1 . 1 144 144 GLY N N 15 110.189 . . . . . . . . 144 GLY N . 52913 5 263 . 1 . 1 145 145 GLN H H 1 8.168 . . . . . . . . 145 GLN H . 52913 5 264 . 1 . 1 145 145 GLN N N 15 119.689 . . . . . . . . 145 GLN N . 52913 5 265 . 1 . 1 146 146 GLN H H 1 8.44 . . . . . . . . 146 GLN H . 52913 5 266 . 1 . 1 146 146 GLN N N 15 121.271 . . . . . . . . 146 GLN N . 52913 5 267 . 1 . 1 147 147 GLN H H 1 8.41 . . . . . . . . 147 GLN H . 52913 5 268 . 1 . 1 147 147 GLN N N 15 121.298 . . . . . . . . 147 GLN N . 52913 5 269 . 1 . 1 148 148 SER H H 1 8.247 . . . . . . . . 148 SER H . 52913 5 270 . 1 . 1 148 148 SER N N 15 116.599 . . . . . . . . 148 SER N . 52913 5 271 . 1 . 1 149 149 TYR H H 1 8.184 . . . . . . . . 149 TYR H . 52913 5 272 . 1 . 1 149 149 TYR N N 15 122.308 . . . . . . . . 149 TYR N . 52913 5 273 . 1 . 1 150 150 ASN H H 1 8.204 . . . . . . . . 150 ASN H . 52913 5 274 . 1 . 1 150 150 ASN N N 15 123.033 . . . . . . . . 150 ASN N . 52913 5 275 . 1 . 1 153 153 GLN H H 1 8.436 . . . . . . . . 153 GLN H . 52913 5 276 . 1 . 1 153 153 GLN N N 15 119.946 . . . . . . . . 153 GLN N . 52913 5 277 . 1 . 1 154 154 GLY H H 1 8.338 . . . . . . . . 154 GLY H . 52913 5 278 . 1 . 1 154 154 GLY N N 15 109.899 . . . . . . . . 154 GLY N . 52913 5 279 . 1 . 1 155 155 TYR H H 1 8.104 . . . . . . . . 155 TYR H . 52913 5 280 . 1 . 1 155 155 TYR N N 15 119.986 . . . . . . . . 155 TYR N . 52913 5 281 . 1 . 1 156 156 GLY H H 1 8.388 . . . . . . . . 156 GLY H . 52913 5 282 . 1 . 1 156 156 GLY N N 15 110.787 . . . . . . . . 156 GLY N . 52913 5 283 . 1 . 1 157 157 GLN H H 1 8.166 . . . . . . . . 157 GLN H . 52913 5 284 . 1 . 1 157 157 GLN N N 15 119.651 . . . . . . . . 157 GLN N . 52913 5 285 . 1 . 1 158 158 GLN H H 1 8.462 . . . . . . . . 158 GLN H . 52913 5 286 . 1 . 1 158 158 GLN N N 15 120.94 . . . . . . . . 158 GLN N . 52913 5 287 . 1 . 1 159 159 ASN H H 1 8.43 . . . . . . . . 159 ASN H . 52913 5 288 . 1 . 1 159 159 ASN N N 15 119.458 . . . . . . . . 159 ASN N . 52913 5 289 . 1 . 1 160 160 GLN H H 1 8.285 . . . . . . . . 160 GLN H . 52913 5 290 . 1 . 1 160 160 GLN N N 15 120.07 . . . . . . . . 160 GLN N . 52913 5 291 . 1 . 1 161 161 TYR H H 1 8.183 . . . . . . . . 161 TYR H . 52913 5 292 . 1 . 1 161 161 TYR N N 15 120.381 . . . . . . . . 161 TYR N . 52913 5 293 . 1 . 1 162 162 ASN H H 1 8.264 . . . . . . . . 162 ASN H . 52913 5 294 . 1 . 1 162 162 ASN N N 15 120.412 . . . . . . . . 162 ASN N . 52913 5 295 . 1 . 1 163 163 SER H H 1 7.824 . . . . . . . . 163 SER H . 52913 5 296 . 1 . 1 163 163 SER N N 15 121.293 . . . . . . . . 163 SER N . 52913 5 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name '2.5% 1,5PD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 52913 6 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0048980229183423 . 52913 6 na 'all 15N' . -0.0048980229074865 . 52913 6 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 6 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.536 . . . . . . . . 2 ALA H . 52913 6 2 . 1 . 1 2 2 ALA N N 15 125.779 . . . . . . . . 2 ALA N . 52913 6 3 . 1 . 1 3 3 SER H H 1 8.275 . . . . . . . . 3 SER H . 52913 6 4 . 1 . 1 3 3 SER N N 15 115.026 . . . . . . . . 3 SER N . 52913 6 5 . 1 . 1 4 4 ASN H H 1 8.397 . . . . . . . . 4 ASN H . 52913 6 6 . 1 . 1 4 4 ASN N N 15 120.288 . . . . . . . . 4 ASN N . 52913 6 7 . 1 . 1 5 5 ASP H H 1 8.144 . . . . . . . . 5 ASP H . 52913 6 8 . 1 . 1 5 5 ASP N N 15 120.09 . . . . . . . . 5 ASP N . 52913 6 9 . 1 . 1 6 6 TYR H H 1 8.166 . . . . . . . . 6 TYR H . 52913 6 10 . 1 . 1 6 6 TYR N N 15 120.971 . . . . . . . . 6 TYR N . 52913 6 11 . 1 . 1 7 7 THR H H 1 8.043 . . . . . . . . 7 THR H . 52913 6 12 . 1 . 1 7 7 THR N N 15 115.115 . . . . . . . . 7 THR N . 52913 6 13 . 1 . 1 8 8 GLN H H 1 8.184 . . . . . . . . 8 GLN H . 52913 6 14 . 1 . 1 8 8 GLN N N 15 122.022 . . . . . . . . 8 GLN N . 52913 6 15 . 1 . 1 9 9 GLN H H 1 8.259 . . . . . . . . 9 GLN H . 52913 6 16 . 1 . 1 9 9 GLN N N 15 121.064 . . . . . . . . 9 GLN N . 52913 6 17 . 1 . 1 10 10 ALA H H 1 8.334 . . . . . . . . 10 ALA H . 52913 6 18 . 1 . 1 10 10 ALA N N 15 124.906 . . . . . . . . 10 ALA N . 52913 6 19 . 1 . 1 11 11 THR H H 1 8.054 . . . . . . . . 11 THR H . 52913 6 20 . 1 . 1 11 11 THR N N 15 112.949 . . . . . . . . 11 THR N . 52913 6 21 . 1 . 1 12 12 GLN H H 1 8.278 . . . . . . . . 12 GLN H . 52913 6 22 . 1 . 1 12 12 GLN N N 15 122.246 . . . . . . . . 12 GLN N . 52913 6 23 . 1 . 1 13 13 SER H H 1 8.234 . . . . . . . . 13 SER H . 52913 6 24 . 1 . 1 13 13 SER N N 15 116.759 . . . . . . . . 13 SER N . 52913 6 25 . 1 . 1 14 14 TYR H H 1 8.192 . . . . . . . . 14 TYR H . 52913 6 26 . 1 . 1 14 14 TYR N N 15 122.078 . . . . . . . . 14 TYR N . 52913 6 27 . 1 . 1 15 15 GLY H H 1 8.211 . . . . . . . . 15 GLY H . 52913 6 28 . 1 . 1 15 15 GLY N N 15 110.358 . . . . . . . . 15 GLY N . 52913 6 29 . 1 . 1 16 16 ALA H H 1 7.929 . . . . . . . . 16 ALA H . 52913 6 30 . 1 . 1 16 16 ALA N N 15 123.263 . . . . . . . . 16 ALA N . 52913 6 31 . 1 . 1 17 17 TYR H H 1 8.047 . . . . . . . . 17 TYR H . 52913 6 32 . 1 . 1 17 17 TYR N N 15 120.108 . . . . . . . . 17 TYR N . 52913 6 33 . 1 . 1 19 19 THR H H 1 8.122 . . . . . . . . 19 THR H . 52913 6 34 . 1 . 1 19 19 THR N N 15 114.124 . . . . . . . . 19 THR N . 52913 6 35 . 1 . 1 20 20 GLN H H 1 8.282 . . . . . . . . 20 GLN H . 52913 6 36 . 1 . 1 20 20 GLN N N 15 123.185 . . . . . . . . 20 GLN N . 52913 6 37 . 1 . 1 22 22 GLY H H 1 8.484 . . . . . . . . 22 GLY H . 52913 6 38 . 1 . 1 22 22 GLY N N 15 109.497 . . . . . . . . 22 GLY N . 52913 6 39 . 1 . 1 23 23 GLN H H 1 8.147 . . . . . . . . 23 GLN H . 52913 6 40 . 1 . 1 23 23 GLN N N 15 119.411 . . . . . . . . 23 GLN N . 52913 6 41 . 1 . 1 24 24 GLY H H 1 8.415 . . . . . . . . 24 GLY H . 52913 6 42 . 1 . 1 24 24 GLY N N 15 109.728 . . . . . . . . 24 GLY N . 52913 6 43 . 1 . 1 25 25 TYR H H 1 8.04 . . . . . . . . 25 TYR H . 52913 6 44 . 1 . 1 25 25 TYR N N 15 120.108 . . . . . . . . 25 TYR N . 52913 6 45 . 1 . 1 26 26 SER H H 1 8.216 . . . . . . . . 26 SER H . 52913 6 46 . 1 . 1 26 26 SER N N 15 117.513 . . . . . . . . 26 SER N . 52913 6 47 . 1 . 1 27 27 GLN H H 1 8.352 . . . . . . . . 27 GLN H . 52913 6 48 . 1 . 1 27 27 GLN N N 15 122.21 . . . . . . . . 27 GLN N . 52913 6 49 . 1 . 1 28 28 GLN H H 1 8.355 . . . . . . . . 28 GLN H . 52913 6 50 . 1 . 1 28 28 GLN N N 15 121.002 . . . . . . . . 28 GLN N . 52913 6 51 . 1 . 1 29 29 SER H H 1 8.295 . . . . . . . . 29 SER H . 52913 6 52 . 1 . 1 29 29 SER N N 15 116.592 . . . . . . . . 29 SER N . 52913 6 53 . 1 . 1 30 30 SER H H 1 8.287 . . . . . . . . 30 SER H . 52913 6 54 . 1 . 1 30 30 SER N N 15 117.455 . . . . . . . . 30 SER N . 52913 6 55 . 1 . 1 31 31 GLN H H 1 8.221 . . . . . . . . 31 GLN H . 52913 6 56 . 1 . 1 31 31 GLN N N 15 122.298 . . . . . . . . 31 GLN N . 52913 6 57 . 1 . 1 33 33 TYR H H 1 8.151 . . . . . . . . 33 TYR H . 52913 6 58 . 1 . 1 33 33 TYR N N 15 119.995 . . . . . . . . 33 TYR N . 52913 6 59 . 1 . 1 34 34 GLY H H 1 8.197 . . . . . . . . 34 GLY H . 52913 6 60 . 1 . 1 34 34 GLY N N 15 110.533 . . . . . . . . 34 GLY N . 52913 6 61 . 1 . 1 35 35 GLN H H 1 8.135 . . . . . . . . 35 GLN H . 52913 6 62 . 1 . 1 35 35 GLN N N 15 119.714 . . . . . . . . 35 GLN N . 52913 6 63 . 1 . 1 36 36 GLN H H 1 8.42 . . . . . . . . 36 GLN H . 52913 6 64 . 1 . 1 36 36 GLN N N 15 121.306 . . . . . . . . 36 GLN N . 52913 6 65 . 1 . 1 37 37 SER H H 1 8.248 . . . . . . . . 37 SER H . 52913 6 66 . 1 . 1 37 37 SER N N 15 116.541 . . . . . . . . 37 SER N . 52913 6 67 . 1 . 1 38 38 TYR H H 1 8.215 . . . . . . . . 38 TYR H . 52913 6 68 . 1 . 1 38 38 TYR N N 15 122.237 . . . . . . . . 38 TYR N . 52913 6 69 . 1 . 1 39 39 SER H H 1 8.244 . . . . . . . . 39 SER H . 52913 6 70 . 1 . 1 39 39 SER N N 15 117.78 . . . . . . . . 39 SER N . 52913 6 71 . 1 . 1 40 40 GLY H H 1 7.812 . . . . . . . . 40 GLY H . 52913 6 72 . 1 . 1 40 40 GLY N N 15 110.103 . . . . . . . . 40 GLY N . 52913 6 73 . 1 . 1 41 41 TYR H H 1 7.963 . . . . . . . . 41 TYR H . 52913 6 74 . 1 . 1 41 41 TYR N N 15 119.952 . . . . . . . . 41 TYR N . 52913 6 75 . 1 . 1 42 42 SER H H 1 8.177 . . . . . . . . 42 SER H . 52913 6 76 . 1 . 1 42 42 SER N N 15 117.742 . . . . . . . . 42 SER N . 52913 6 77 . 1 . 1 43 43 GLN H H 1 8.332 . . . . . . . . 43 GLN H . 52913 6 78 . 1 . 1 43 43 GLN N N 15 122.236 . . . . . . . . 43 GLN N . 52913 6 79 . 1 . 1 44 44 SER H H 1 8.333 . . . . . . . . 44 SER H . 52913 6 80 . 1 . 1 44 44 SER N N 15 116.674 . . . . . . . . 44 SER N . 52913 6 81 . 1 . 1 45 45 THR H H 1 8.16 . . . . . . . . 45 THR H . 52913 6 82 . 1 . 1 45 45 THR N N 15 115.285 . . . . . . . . 45 THR N . 52913 6 83 . 1 . 1 46 46 ASP H H 1 8.314 . . . . . . . . 46 ASP H . 52913 6 84 . 1 . 1 46 46 ASP N N 15 122.631 . . . . . . . . 46 ASP N . 52913 6 85 . 1 . 1 47 47 THR H H 1 8.199 . . . . . . . . 47 THR H . 52913 6 86 . 1 . 1 47 47 THR N N 15 114.475 . . . . . . . . 47 THR N . 52913 6 87 . 1 . 1 48 48 SER H H 1 8.359 . . . . . . . . 48 SER H . 52913 6 88 . 1 . 1 48 48 SER N N 15 118.173 . . . . . . . . 48 SER N . 52913 6 89 . 1 . 1 49 49 GLY H H 1 8.31 . . . . . . . . 49 GLY H . 52913 6 90 . 1 . 1 49 49 GLY N N 15 110.285 . . . . . . . . 49 GLY N . 52913 6 91 . 1 . 1 50 50 TYR H H 1 8.043 . . . . . . . . 50 TYR H . 52913 6 92 . 1 . 1 50 50 TYR N N 15 120.052 . . . . . . . . 50 TYR N . 52913 6 93 . 1 . 1 51 51 GLY H H 1 8.352 . . . . . . . . 51 GLY H . 52913 6 94 . 1 . 1 51 51 GLY N N 15 110.675 . . . . . . . . 51 GLY N . 52913 6 95 . 1 . 1 52 52 GLN H H 1 8.141 . . . . . . . . 52 GLN H . 52913 6 96 . 1 . 1 52 52 GLN N N 15 119.724 . . . . . . . . 52 GLN N . 52913 6 97 . 1 . 1 53 53 SER H H 1 8.381 . . . . . . . . 53 SER H . 52913 6 98 . 1 . 1 53 53 SER N N 15 116.671 . . . . . . . . 53 SER N . 52913 6 99 . 1 . 1 54 54 SER H H 1 8.262 . . . . . . . . 54 SER H . 52913 6 100 . 1 . 1 54 54 SER N N 15 117.385 . . . . . . . . 54 SER N . 52913 6 101 . 1 . 1 55 55 TYR H H 1 8.109 . . . . . . . . 55 TYR H . 52913 6 102 . 1 . 1 55 55 TYR N N 15 121.746 . . . . . . . . 55 TYR N . 52913 6 103 . 1 . 1 56 56 SER H H 1 8.083 . . . . . . . . 56 SER H . 52913 6 104 . 1 . 1 56 56 SER N N 15 116.928 . . . . . . . . 56 SER N . 52913 6 105 . 1 . 1 57 57 SER H H 1 8.185 . . . . . . . . 57 SER H . 52913 6 106 . 1 . 1 57 57 SER N N 15 117.66 . . . . . . . . 57 SER N . 52913 6 107 . 1 . 1 58 58 TYR H H 1 8.101 . . . . . . . . 58 TYR H . 52913 6 108 . 1 . 1 58 58 TYR N N 15 121.792 . . . . . . . . 58 TYR N . 52913 6 109 . 1 . 1 59 59 GLY H H 1 8.239 . . . . . . . . 59 GLY H . 52913 6 110 . 1 . 1 59 59 GLY N N 15 110.398 . . . . . . . . 59 GLY N . 52913 6 111 . 1 . 1 60 60 GLN H H 1 8.102 . . . . . . . . 60 GLN H . 52913 6 112 . 1 . 1 60 60 GLN N N 15 119.591 . . . . . . . . 60 GLN N . 52913 6 113 . 1 . 1 61 61 SER H H 1 8.345 . . . . . . . . 61 SER H . 52913 6 114 . 1 . 1 61 61 SER N N 15 116.702 . . . . . . . . 61 SER N . 52913 6 115 . 1 . 1 62 62 GLN H H 1 8.395 . . . . . . . . 62 GLN H . 52913 6 116 . 1 . 1 62 62 GLN N N 15 121.508 . . . . . . . . 62 GLN N . 52913 6 117 . 1 . 1 63 63 ASN H H 1 8.428 . . . . . . . . 63 ASN H . 52913 6 118 . 1 . 1 63 63 ASN N N 15 119.575 . . . . . . . . 63 ASN N . 52913 6 119 . 1 . 1 64 64 THR H H 1 8.108 . . . . . . . . 64 THR H . 52913 6 120 . 1 . 1 64 64 THR N N 15 113.7 . . . . . . . . 64 THR N . 52913 6 121 . 1 . 1 65 65 GLY H H 1 8.321 . . . . . . . . 65 GLY H . 52913 6 122 . 1 . 1 65 65 GLY N N 15 110.51 . . . . . . . . 65 GLY N . 52913 6 123 . 1 . 1 67 67 GLY H H 1 8.347 . . . . . . . . 67 GLY H . 52913 6 124 . 1 . 1 67 67 GLY N N 15 110.717 . . . . . . . . 67 GLY N . 52913 6 125 . 1 . 1 68 68 THR H H 1 8.037 . . . . . . . . 68 THR H . 52913 6 126 . 1 . 1 68 68 THR N N 15 113.411 . . . . . . . . 68 THR N . 52913 6 127 . 1 . 1 69 69 GLN H H 1 8.439 . . . . . . . . 69 GLN H . 52913 6 128 . 1 . 1 69 69 GLN N N 15 122.297 . . . . . . . . 69 GLN N . 52913 6 129 . 1 . 1 70 70 SER H H 1 8.335 . . . . . . . . 70 SER H . 52913 6 130 . 1 . 1 70 70 SER N N 15 117.045 . . . . . . . . 70 SER N . 52913 6 131 . 1 . 1 71 71 THR H H 1 8.128 . . . . . . . . 71 THR H . 52913 6 132 . 1 . 1 71 71 THR N N 15 117.516 . . . . . . . . 71 THR N . 52913 6 133 . 1 . 1 73 73 GLN H H 1 8.422 . . . . . . . . 73 GLN H . 52913 6 134 . 1 . 1 73 73 GLN N N 15 120.34 . . . . . . . . 73 GLN N . 52913 6 135 . 1 . 1 74 74 GLY H H 1 8.309 . . . . . . . . 74 GLY H . 52913 6 136 . 1 . 1 74 74 GLY N N 15 109.823 . . . . . . . . 74 GLY N . 52913 6 137 . 1 . 1 75 75 TYR H H 1 8.074 . . . . . . . . 75 TYR H . 52913 6 138 . 1 . 1 75 75 TYR N N 15 120.184 . . . . . . . . 75 TYR N . 52913 6 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 6 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 6 141 . 1 . 1 77 77 SER H H 1 8.183 . . . . . . . . 77 SER H . 52913 6 142 . 1 . 1 77 77 SER N N 15 115.591 . . . . . . . . 77 SER N . 52913 6 143 . 1 . 1 78 78 THR H H 1 8.221 . . . . . . . . 78 THR H . 52913 6 144 . 1 . 1 78 78 THR N N 15 114.814 . . . . . . . . 78 THR N . 52913 6 145 . 1 . 1 79 79 GLY H H 1 8.316 . . . . . . . . 79 GLY H . 52913 6 146 . 1 . 1 79 79 GLY N N 15 110.684 . . . . . . . . 79 GLY N . 52913 6 147 . 1 . 1 80 80 GLY H H 1 8.148 . . . . . . . . 80 GLY H . 52913 6 148 . 1 . 1 80 80 GLY N N 15 108.331 . . . . . . . . 80 GLY N . 52913 6 149 . 1 . 1 81 81 TYR H H 1 8.129 . . . . . . . . 81 TYR H . 52913 6 150 . 1 . 1 81 81 TYR N N 15 120.183 . . . . . . . . 81 TYR N . 52913 6 151 . 1 . 1 82 82 GLY H H 1 8.368 . . . . . . . . 82 GLY H . 52913 6 152 . 1 . 1 82 82 GLY N N 15 110.9 . . . . . . . . 82 GLY N . 52913 6 153 . 1 . 1 83 83 SER H H 1 8.149 . . . . . . . . 83 SER H . 52913 6 154 . 1 . 1 83 83 SER N N 15 115.517 . . . . . . . . 83 SER N . 52913 6 155 . 1 . 1 84 84 SER H H 1 8.405 . . . . . . . . 84 SER H . 52913 6 156 . 1 . 1 84 84 SER N N 15 117.609 . . . . . . . . 84 SER N . 52913 6 157 . 1 . 1 85 85 GLN H H 1 8.375 . . . . . . . . 85 GLN H . 52913 6 158 . 1 . 1 85 85 GLN N N 15 121.83 . . . . . . . . 85 GLN N . 52913 6 159 . 1 . 1 86 86 SER H H 1 8.289 . . . . . . . . 86 SER H . 52913 6 160 . 1 . 1 86 86 SER N N 15 116.476 . . . . . . . . 86 SER N . 52913 6 161 . 1 . 1 87 87 SER H H 1 8.322 . . . . . . . . 87 SER H . 52913 6 162 . 1 . 1 87 87 SER N N 15 117.489 . . . . . . . . 87 SER N . 52913 6 163 . 1 . 1 88 88 GLN H H 1 8.329 . . . . . . . . 88 GLN H . 52913 6 164 . 1 . 1 88 88 GLN N N 15 121.762 . . . . . . . . 88 GLN N . 52913 6 165 . 1 . 1 89 89 SER H H 1 8.268 . . . . . . . . 89 SER H . 52913 6 166 . 1 . 1 89 89 SER N N 15 116.466 . . . . . . . . 89 SER N . 52913 6 167 . 1 . 1 90 90 SER H H 1 8.225 . . . . . . . . 90 SER H . 52913 6 168 . 1 . 1 90 90 SER N N 15 117.478 . . . . . . . . 90 SER N . 52913 6 169 . 1 . 1 91 91 TYR H H 1 8.133 . . . . . . . . 91 TYR H . 52913 6 170 . 1 . 1 91 91 TYR N N 15 121.83 . . . . . . . . 91 TYR N . 52913 6 171 . 1 . 1 92 92 GLY H H 1 8.242 . . . . . . . . 92 GLY H . 52913 6 172 . 1 . 1 92 92 GLY N N 15 110.328 . . . . . . . . 92 GLY N . 52913 6 173 . 1 . 1 93 93 GLN H H 1 8.143 . . . . . . . . 93 GLN H . 52913 6 174 . 1 . 1 93 93 GLN N N 15 119.659 . . . . . . . . 93 GLN N . 52913 6 175 . 1 . 1 95 95 SER H H 1 8.296 . . . . . . . . 95 SER H . 52913 6 176 . 1 . 1 95 95 SER N N 15 116.534 . . . . . . . . 95 SER N . 52913 6 177 . 1 . 1 96 96 SER H H 1 8.143 . . . . . . . . 96 SER H . 52913 6 178 . 1 . 1 96 96 SER N N 15 117.044 . . . . . . . . 96 SER N . 52913 6 179 . 1 . 1 97 97 TYR H H 1 8.083 . . . . . . . . 97 TYR H . 52913 6 180 . 1 . 1 97 97 TYR N N 15 122.716 . . . . . . . . 97 TYR N . 52913 6 181 . 1 . 1 99 99 GLY H H 1 7.908 . . . . . . . . 99 GLY H . 52913 6 182 . 1 . 1 99 99 GLY N N 15 108.588 . . . . . . . . 99 GLY N . 52913 6 183 . 1 . 1 100 100 TYR H H 1 7.919 . . . . . . . . 100 TYR H . 52913 6 184 . 1 . 1 100 100 TYR N N 15 120.032 . . . . . . . . 100 TYR N . 52913 6 185 . 1 . 1 101 101 GLY H H 1 8.347 . . . . . . . . 101 GLY H . 52913 6 186 . 1 . 1 101 101 GLY N N 15 111.042 . . . . . . . . 101 GLY N . 52913 6 187 . 1 . 1 102 102 GLN H H 1 8.084 . . . . . . . . 102 GLN H . 52913 6 188 . 1 . 1 102 102 GLN N N 15 119.519 . . . . . . . . 102 GLN N . 52913 6 189 . 1 . 1 103 103 GLN H H 1 8.404 . . . . . . . . 103 GLN H . 52913 6 190 . 1 . 1 103 103 GLN N N 15 122.648 . . . . . . . . 103 GLN N . 52913 6 191 . 1 . 1 105 105 ALA H H 1 8.362 . . . . . . . . 105 ALA H . 52913 6 192 . 1 . 1 105 105 ALA N N 15 125.505 . . . . . . . . 105 ALA N . 52913 6 193 . 1 . 1 107 107 SER H H 1 8.379 . . . . . . . . 107 SER H . 52913 6 194 . 1 . 1 107 107 SER N N 15 115.655 . . . . . . . . 107 SER N . 52913 6 195 . 1 . 1 108 108 SER H H 1 8.387 . . . . . . . . 108 SER H . 52913 6 196 . 1 . 1 108 108 SER N N 15 117.557 . . . . . . . . 108 SER N . 52913 6 197 . 1 . 1 109 109 THR H H 1 8.195 . . . . . . . . 109 THR H . 52913 6 198 . 1 . 1 109 109 THR N N 15 114.873 . . . . . . . . 109 THR N . 52913 6 199 . 1 . 1 110 110 SER H H 1 8.244 . . . . . . . . 110 SER H . 52913 6 200 . 1 . 1 110 110 SER N N 15 117.729 . . . . . . . . 110 SER N . 52913 6 201 . 1 . 1 111 111 GLY H H 1 8.351 . . . . . . . . 111 GLY H . 52913 6 202 . 1 . 1 111 111 GLY N N 15 110.724 . . . . . . . . 111 GLY N . 52913 6 203 . 1 . 1 112 112 SER H H 1 8.107 . . . . . . . . 112 SER H . 52913 6 204 . 1 . 1 112 112 SER N N 15 115.446 . . . . . . . . 112 SER N . 52913 6 205 . 1 . 1 113 113 TYR H H 1 8.253 . . . . . . . . 113 TYR H . 52913 6 206 . 1 . 1 113 113 TYR N N 15 122.229 . . . . . . . . 113 TYR N . 52913 6 207 . 1 . 1 114 114 GLY H H 1 8.287 . . . . . . . . 114 GLY H . 52913 6 208 . 1 . 1 114 114 GLY N N 15 110.609 . . . . . . . . 114 GLY N . 52913 6 209 . 1 . 1 115 115 SER H H 1 8.173 . . . . . . . . 115 SER H . 52913 6 210 . 1 . 1 115 115 SER N N 15 115.589 . . . . . . . . 115 SER N . 52913 6 211 . 1 . 1 116 116 SER H H 1 8.417 . . . . . . . . 116 SER H . 52913 6 212 . 1 . 1 116 116 SER N N 15 117.677 . . . . . . . . 116 SER N . 52913 6 213 . 1 . 1 117 117 SER H H 1 8.323 . . . . . . . . 117 SER H . 52913 6 214 . 1 . 1 117 117 SER N N 15 117.684 . . . . . . . . 117 SER N . 52913 6 215 . 1 . 1 118 118 GLN H H 1 8.321 . . . . . . . . 118 GLN H . 52913 6 216 . 1 . 1 118 118 GLN N N 15 121.823 . . . . . . . . 118 GLN N . 52913 6 217 . 1 . 1 119 119 SER H H 1 8.288 . . . . . . . . 119 SER H . 52913 6 218 . 1 . 1 119 119 SER N N 15 116.534 . . . . . . . . 119 SER N . 52913 6 219 . 1 . 1 120 120 SER H H 1 8.323 . . . . . . . . 120 SER H . 52913 6 220 . 1 . 1 120 120 SER N N 15 117.616 . . . . . . . . 120 SER N . 52913 6 221 . 1 . 1 121 121 SER H H 1 8.236 . . . . . . . . 121 SER H . 52913 6 222 . 1 . 1 121 121 SER N N 15 117.39 . . . . . . . . 121 SER N . 52913 6 223 . 1 . 1 122 122 TYR H H 1 8.08 . . . . . . . . 122 TYR H . 52913 6 224 . 1 . 1 122 122 TYR N N 15 121.88 . . . . . . . . 122 TYR N . 52913 6 225 . 1 . 1 123 123 GLY H H 1 8.219 . . . . . . . . 123 GLY H . 52913 6 226 . 1 . 1 123 123 GLY N N 15 110.598 . . . . . . . . 123 GLY N . 52913 6 227 . 1 . 1 124 124 GLN H H 1 8.063 . . . . . . . . 124 GLN H . 52913 6 228 . 1 . 1 124 124 GLN N N 15 120.448 . . . . . . . . 124 GLN N . 52913 6 229 . 1 . 1 126 126 GLN H H 1 8.548 . . . . . . . . 126 GLN H . 52913 6 230 . 1 . 1 126 126 GLN N N 15 120.654 . . . . . . . . 126 GLN N . 52913 6 231 . 1 . 1 127 127 SER H H 1 8.35 . . . . . . . . 127 SER H . 52913 6 232 . 1 . 1 127 127 SER N N 15 116.767 . . . . . . . . 127 SER N . 52913 6 233 . 1 . 1 128 128 GLY H H 1 8.412 . . . . . . . . 128 GLY H . 52913 6 234 . 1 . 1 128 128 GLY N N 15 110.743 . . . . . . . . 128 GLY N . 52913 6 235 . 1 . 1 129 129 SER H H 1 8.121 . . . . . . . . 129 SER H . 52913 6 236 . 1 . 1 129 129 SER N N 15 115.422 . . . . . . . . 129 SER N . 52913 6 237 . 1 . 1 131 131 SER H H 1 8.113 . . . . . . . . 131 SER H . 52913 6 238 . 1 . 1 131 131 SER N N 15 117.013 . . . . . . . . 131 SER N . 52913 6 239 . 1 . 1 132 132 GLN H H 1 8.235 . . . . . . . . 132 GLN H . 52913 6 240 . 1 . 1 132 132 GLN N N 15 121.842 . . . . . . . . 132 GLN N . 52913 6 241 . 1 . 1 133 133 GLN H H 1 8.306 . . . . . . . . 133 GLN H . 52913 6 242 . 1 . 1 133 133 GLN N N 15 122.433 . . . . . . . . 133 GLN N . 52913 6 243 . 1 . 1 135 135 SER H H 1 8.28 . . . . . . . . 135 SER H . 52913 6 244 . 1 . 1 135 135 SER N N 15 115.502 . . . . . . . . 135 SER N . 52913 6 245 . 1 . 1 136 136 TYR H H 1 8.187 . . . . . . . . 136 TYR H . 52913 6 246 . 1 . 1 136 136 TYR N N 15 122.067 . . . . . . . . 136 TYR N . 52913 6 247 . 1 . 1 137 137 GLY H H 1 8.343 . . . . . . . . 137 GLY H . 52913 6 248 . 1 . 1 137 137 GLY N N 15 110.75 . . . . . . . . 137 GLY N . 52913 6 249 . 1 . 1 138 138 GLY H H 1 7.948 . . . . . . . . 138 GLY H . 52913 6 250 . 1 . 1 138 138 GLY N N 15 108.26 . . . . . . . . 138 GLY N . 52913 6 251 . 1 . 1 139 139 GLN H H 1 8.268 . . . . . . . . 139 GLN H . 52913 6 252 . 1 . 1 139 139 GLN N N 15 119.666 . . . . . . . . 139 GLN N . 52913 6 253 . 1 . 1 140 140 GLN H H 1 8.463 . . . . . . . . 140 GLN H . 52913 6 254 . 1 . 1 140 140 GLN N N 15 121.425 . . . . . . . . 140 GLN N . 52913 6 255 . 1 . 1 141 141 GLN H H 1 8.401 . . . . . . . . 141 GLN H . 52913 6 256 . 1 . 1 141 141 GLN N N 15 121.408 . . . . . . . . 141 GLN N . 52913 6 257 . 1 . 1 142 142 SER H H 1 8.252 . . . . . . . . 142 SER H . 52913 6 258 . 1 . 1 142 142 SER N N 15 116.606 . . . . . . . . 142 SER N . 52913 6 259 . 1 . 1 143 143 TYR H H 1 8.222 . . . . . . . . 143 TYR H . 52913 6 260 . 1 . 1 143 143 TYR N N 15 122.08 . . . . . . . . 143 TYR N . 52913 6 261 . 1 . 1 144 144 GLY H H 1 8.31 . . . . . . . . 144 GLY H . 52913 6 262 . 1 . 1 144 144 GLY N N 15 110.219 . . . . . . . . 144 GLY N . 52913 6 263 . 1 . 1 145 145 GLN H H 1 8.169 . . . . . . . . 145 GLN H . 52913 6 264 . 1 . 1 145 145 GLN N N 15 119.731 . . . . . . . . 145 GLN N . 52913 6 265 . 1 . 1 146 146 GLN H H 1 8.442 . . . . . . . . 146 GLN H . 52913 6 266 . 1 . 1 146 146 GLN N N 15 121.301 . . . . . . . . 146 GLN N . 52913 6 267 . 1 . 1 147 147 GLN H H 1 8.411 . . . . . . . . 147 GLN H . 52913 6 268 . 1 . 1 147 147 GLN N N 15 121.373 . . . . . . . . 147 GLN N . 52913 6 269 . 1 . 1 148 148 SER H H 1 8.255 . . . . . . . . 148 SER H . 52913 6 270 . 1 . 1 148 148 SER N N 15 116.671 . . . . . . . . 148 SER N . 52913 6 271 . 1 . 1 149 149 TYR H H 1 8.189 . . . . . . . . 149 TYR H . 52913 6 272 . 1 . 1 149 149 TYR N N 15 122.338 . . . . . . . . 149 TYR N . 52913 6 273 . 1 . 1 150 150 ASN H H 1 8.209 . . . . . . . . 150 ASN H . 52913 6 274 . 1 . 1 150 150 ASN N N 15 123.1 . . . . . . . . 150 ASN N . 52913 6 275 . 1 . 1 153 153 GLN H H 1 8.441 . . . . . . . . 153 GLN H . 52913 6 276 . 1 . 1 153 153 GLN N N 15 119.981 . . . . . . . . 153 GLN N . 52913 6 277 . 1 . 1 154 154 GLY H H 1 8.341 . . . . . . . . 154 GLY H . 52913 6 278 . 1 . 1 154 154 GLY N N 15 109.95 . . . . . . . . 154 GLY N . 52913 6 279 . 1 . 1 155 155 TYR H H 1 8.107 . . . . . . . . 155 TYR H . 52913 6 280 . 1 . 1 155 155 TYR N N 15 120.033 . . . . . . . . 155 TYR N . 52913 6 281 . 1 . 1 156 156 GLY H H 1 8.39 . . . . . . . . 156 GLY H . 52913 6 282 . 1 . 1 156 156 GLY N N 15 110.826 . . . . . . . . 156 GLY N . 52913 6 283 . 1 . 1 157 157 GLN H H 1 8.168 . . . . . . . . 157 GLN H . 52913 6 284 . 1 . 1 157 157 GLN N N 15 119.668 . . . . . . . . 157 GLN N . 52913 6 285 . 1 . 1 158 158 GLN H H 1 8.465 . . . . . . . . 158 GLN H . 52913 6 286 . 1 . 1 158 158 GLN N N 15 120.979 . . . . . . . . 158 GLN N . 52913 6 287 . 1 . 1 159 159 ASN H H 1 8.433 . . . . . . . . 159 ASN H . 52913 6 288 . 1 . 1 159 159 ASN N N 15 119.516 . . . . . . . . 159 ASN N . 52913 6 289 . 1 . 1 160 160 GLN H H 1 8.287 . . . . . . . . 160 GLN H . 52913 6 290 . 1 . 1 160 160 GLN N N 15 120.123 . . . . . . . . 160 GLN N . 52913 6 291 . 1 . 1 161 161 TYR H H 1 8.189 . . . . . . . . 161 TYR H . 52913 6 292 . 1 . 1 161 161 TYR N N 15 120.446 . . . . . . . . 161 TYR N . 52913 6 293 . 1 . 1 162 162 ASN H H 1 8.274 . . . . . . . . 162 ASN H . 52913 6 294 . 1 . 1 162 162 ASN N N 15 120.474 . . . . . . . . 162 ASN N . 52913 6 295 . 1 . 1 163 163 SER H H 1 7.831 . . . . . . . . 163 SER H . 52913 6 296 . 1 . 1 163 163 SER N N 15 121.322 . . . . . . . . 163 SER N . 52913 6 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Name '5% 1,5PD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '2D 1H-15N HSQC' . . . 52913 7 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0098300461066677 . 52913 7 na 'all 15N' . -0.0098300461308429 . 52913 7 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 7 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.529 . . . . . . . . 2 ALA H . 52913 7 2 . 1 . 1 2 2 ALA N N 15 125.727 . . . . . . . . 2 ALA N . 52913 7 3 . 1 . 1 3 3 SER H H 1 8.265 . . . . . . . . 3 SER H . 52913 7 4 . 1 . 1 3 3 SER N N 15 114.969 . . . . . . . . 3 SER N . 52913 7 5 . 1 . 1 4 4 ASN H H 1 8.39 . . . . . . . . 4 ASN H . 52913 7 6 . 1 . 1 4 4 ASN N N 15 120.26 . . . . . . . . 4 ASN N . 52913 7 7 . 1 . 1 5 5 ASP H H 1 8.139 . . . . . . . . 5 ASP H . 52913 7 8 . 1 . 1 5 5 ASP N N 15 120.033 . . . . . . . . 5 ASP N . 52913 7 9 . 1 . 1 6 6 TYR H H 1 8.16 . . . . . . . . 6 TYR H . 52913 7 10 . 1 . 1 6 6 TYR N N 15 120.926 . . . . . . . . 6 TYR N . 52913 7 11 . 1 . 1 7 7 THR H H 1 8.036 . . . . . . . . 7 THR H . 52913 7 12 . 1 . 1 7 7 THR N N 15 115.032 . . . . . . . . 7 THR N . 52913 7 13 . 1 . 1 8 8 GLN H H 1 8.179 . . . . . . . . 8 GLN H . 52913 7 14 . 1 . 1 8 8 GLN N N 15 121.985 . . . . . . . . 8 GLN N . 52913 7 15 . 1 . 1 9 9 GLN H H 1 8.249 . . . . . . . . 9 GLN H . 52913 7 16 . 1 . 1 9 9 GLN N N 15 120.994 . . . . . . . . 9 GLN N . 52913 7 17 . 1 . 1 10 10 ALA H H 1 8.326 . . . . . . . . 10 ALA H . 52913 7 18 . 1 . 1 10 10 ALA N N 15 124.844 . . . . . . . . 10 ALA N . 52913 7 19 . 1 . 1 11 11 THR H H 1 8.042 . . . . . . . . 11 THR H . 52913 7 20 . 1 . 1 11 11 THR N N 15 112.885 . . . . . . . . 11 THR N . 52913 7 21 . 1 . 1 12 12 GLN H H 1 8.268 . . . . . . . . 12 GLN H . 52913 7 22 . 1 . 1 12 12 GLN N N 15 122.202 . . . . . . . . 12 GLN N . 52913 7 23 . 1 . 1 13 13 SER H H 1 8.224 . . . . . . . . 13 SER H . 52913 7 24 . 1 . 1 13 13 SER N N 15 116.701 . . . . . . . . 13 SER N . 52913 7 25 . 1 . 1 14 14 TYR H H 1 8.185 . . . . . . . . 14 TYR H . 52913 7 26 . 1 . 1 14 14 TYR N N 15 122.031 . . . . . . . . 14 TYR N . 52913 7 27 . 1 . 1 15 15 GLY H H 1 8.203 . . . . . . . . 15 GLY H . 52913 7 28 . 1 . 1 15 15 GLY N N 15 110.297 . . . . . . . . 15 GLY N . 52913 7 29 . 1 . 1 16 16 ALA H H 1 7.922 . . . . . . . . 16 ALA H . 52913 7 30 . 1 . 1 16 16 ALA N N 15 123.227 . . . . . . . . 16 ALA N . 52913 7 31 . 1 . 1 17 17 TYR H H 1 8.047 . . . . . . . . 17 TYR H . 52913 7 32 . 1 . 1 17 17 TYR N N 15 120.108 . . . . . . . . 17 TYR N . 52913 7 33 . 1 . 1 19 19 THR H H 1 8.113 . . . . . . . . 19 THR H . 52913 7 34 . 1 . 1 19 19 THR N N 15 114.092 . . . . . . . . 19 THR N . 52913 7 35 . 1 . 1 20 20 GLN H H 1 8.278 . . . . . . . . 20 GLN H . 52913 7 36 . 1 . 1 20 20 GLN N N 15 123.154 . . . . . . . . 20 GLN N . 52913 7 37 . 1 . 1 22 22 GLY H H 1 8.481 . . . . . . . . 22 GLY H . 52913 7 38 . 1 . 1 22 22 GLY N N 15 109.471 . . . . . . . . 22 GLY N . 52913 7 39 . 1 . 1 23 23 GLN H H 1 8.14 . . . . . . . . 23 GLN H . 52913 7 40 . 1 . 1 23 23 GLN N N 15 119.375 . . . . . . . . 23 GLN N . 52913 7 41 . 1 . 1 24 24 GLY H H 1 8.41 . . . . . . . . 24 GLY H . 52913 7 42 . 1 . 1 24 24 GLY N N 15 109.686 . . . . . . . . 24 GLY N . 52913 7 43 . 1 . 1 25 25 TYR H H 1 8.04 . . . . . . . . 25 TYR H . 52913 7 44 . 1 . 1 25 25 TYR N N 15 120.108 . . . . . . . . 25 TYR N . 52913 7 45 . 1 . 1 26 26 SER H H 1 8.211 . . . . . . . . 26 SER H . 52913 7 46 . 1 . 1 26 26 SER N N 15 117.462 . . . . . . . . 26 SER N . 52913 7 47 . 1 . 1 27 27 GLN H H 1 8.349 . . . . . . . . 27 GLN H . 52913 7 48 . 1 . 1 27 27 GLN N N 15 122.172 . . . . . . . . 27 GLN N . 52913 7 49 . 1 . 1 28 28 GLN H H 1 8.349 . . . . . . . . 28 GLN H . 52913 7 50 . 1 . 1 28 28 GLN N N 15 120.976 . . . . . . . . 28 GLN N . 52913 7 51 . 1 . 1 29 29 SER H H 1 8.286 . . . . . . . . 29 SER H . 52913 7 52 . 1 . 1 29 29 SER N N 15 116.529 . . . . . . . . 29 SER N . 52913 7 53 . 1 . 1 30 30 SER H H 1 8.281 . . . . . . . . 30 SER H . 52913 7 54 . 1 . 1 30 30 SER N N 15 117.416 . . . . . . . . 30 SER N . 52913 7 55 . 1 . 1 31 31 GLN H H 1 8.216 . . . . . . . . 31 GLN H . 52913 7 56 . 1 . 1 31 31 GLN N N 15 122.264 . . . . . . . . 31 GLN N . 52913 7 57 . 1 . 1 33 33 TYR H H 1 8.143 . . . . . . . . 33 TYR H . 52913 7 58 . 1 . 1 33 33 TYR N N 15 119.908 . . . . . . . . 33 TYR N . 52913 7 59 . 1 . 1 34 34 GLY H H 1 8.192 . . . . . . . . 34 GLY H . 52913 7 60 . 1 . 1 34 34 GLY N N 15 110.503 . . . . . . . . 34 GLY N . 52913 7 61 . 1 . 1 35 35 GLN H H 1 8.131 . . . . . . . . 35 GLN H . 52913 7 62 . 1 . 1 35 35 GLN N N 15 119.679 . . . . . . . . 35 GLN N . 52913 7 63 . 1 . 1 36 36 GLN H H 1 8.412 . . . . . . . . 36 GLN H . 52913 7 64 . 1 . 1 36 36 GLN N N 15 121.278 . . . . . . . . 36 GLN N . 52913 7 65 . 1 . 1 37 37 SER H H 1 8.242 . . . . . . . . 37 SER H . 52913 7 66 . 1 . 1 37 37 SER N N 15 116.524 . . . . . . . . 37 SER N . 52913 7 67 . 1 . 1 38 38 TYR H H 1 8.212 . . . . . . . . 38 TYR H . 52913 7 68 . 1 . 1 38 38 TYR N N 15 122.208 . . . . . . . . 38 TYR N . 52913 7 69 . 1 . 1 39 39 SER H H 1 8.236 . . . . . . . . 39 SER H . 52913 7 70 . 1 . 1 39 39 SER N N 15 117.756 . . . . . . . . 39 SER N . 52913 7 71 . 1 . 1 40 40 GLY H H 1 7.811 . . . . . . . . 40 GLY H . 52913 7 72 . 1 . 1 40 40 GLY N N 15 110.058 . . . . . . . . 40 GLY N . 52913 7 73 . 1 . 1 41 41 TYR H H 1 7.957 . . . . . . . . 41 TYR H . 52913 7 74 . 1 . 1 41 41 TYR N N 15 119.907 . . . . . . . . 41 TYR N . 52913 7 75 . 1 . 1 42 42 SER H H 1 8.171 . . . . . . . . 42 SER H . 52913 7 76 . 1 . 1 42 42 SER N N 15 117.687 . . . . . . . . 42 SER N . 52913 7 77 . 1 . 1 43 43 GLN H H 1 8.329 . . . . . . . . 43 GLN H . 52913 7 78 . 1 . 1 43 43 GLN N N 15 122.222 . . . . . . . . 43 GLN N . 52913 7 79 . 1 . 1 44 44 SER H H 1 8.328 . . . . . . . . 44 SER H . 52913 7 80 . 1 . 1 44 44 SER N N 15 116.63 . . . . . . . . 44 SER N . 52913 7 81 . 1 . 1 45 45 THR H H 1 8.153 . . . . . . . . 45 THR H . 52913 7 82 . 1 . 1 45 45 THR N N 15 115.278 . . . . . . . . 45 THR N . 52913 7 83 . 1 . 1 46 46 ASP H H 1 8.308 . . . . . . . . 46 ASP H . 52913 7 84 . 1 . 1 46 46 ASP N N 15 122.615 . . . . . . . . 46 ASP N . 52913 7 85 . 1 . 1 47 47 THR H H 1 8.192 . . . . . . . . 47 THR H . 52913 7 86 . 1 . 1 47 47 THR N N 15 114.45 . . . . . . . . 47 THR N . 52913 7 87 . 1 . 1 48 48 SER H H 1 8.353 . . . . . . . . 48 SER H . 52913 7 88 . 1 . 1 48 48 SER N N 15 118.156 . . . . . . . . 48 SER N . 52913 7 89 . 1 . 1 49 49 GLY H H 1 8.305 . . . . . . . . 49 GLY H . 52913 7 90 . 1 . 1 49 49 GLY N N 15 110.253 . . . . . . . . 49 GLY N . 52913 7 91 . 1 . 1 50 50 TYR H H 1 8.043 . . . . . . . . 50 TYR H . 52913 7 92 . 1 . 1 50 50 TYR N N 15 120.052 . . . . . . . . 50 TYR N . 52913 7 93 . 1 . 1 51 51 GLY H H 1 8.347 . . . . . . . . 51 GLY H . 52913 7 94 . 1 . 1 51 51 GLY N N 15 110.638 . . . . . . . . 51 GLY N . 52913 7 95 . 1 . 1 52 52 GLN H H 1 8.137 . . . . . . . . 52 GLN H . 52913 7 96 . 1 . 1 52 52 GLN N N 15 119.679 . . . . . . . . 52 GLN N . 52913 7 97 . 1 . 1 53 53 SER H H 1 8.373 . . . . . . . . 53 SER H . 52913 7 98 . 1 . 1 53 53 SER N N 15 116.627 . . . . . . . . 53 SER N . 52913 7 99 . 1 . 1 54 54 SER H H 1 8.256 . . . . . . . . 54 SER H . 52913 7 100 . 1 . 1 54 54 SER N N 15 117.383 . . . . . . . . 54 SER N . 52913 7 101 . 1 . 1 55 55 TYR H H 1 8.103 . . . . . . . . 55 TYR H . 52913 7 102 . 1 . 1 55 55 TYR N N 15 121.709 . . . . . . . . 55 TYR N . 52913 7 103 . 1 . 1 56 56 SER H H 1 8.074 . . . . . . . . 56 SER H . 52913 7 104 . 1 . 1 56 56 SER N N 15 116.857 . . . . . . . . 56 SER N . 52913 7 105 . 1 . 1 57 57 SER H H 1 8.176 . . . . . . . . 57 SER H . 52913 7 106 . 1 . 1 57 57 SER N N 15 117.635 . . . . . . . . 57 SER N . 52913 7 107 . 1 . 1 58 58 TYR H H 1 8.096 . . . . . . . . 58 TYR H . 52913 7 108 . 1 . 1 58 58 TYR N N 15 121.75 . . . . . . . . 58 TYR N . 52913 7 109 . 1 . 1 59 59 GLY H H 1 8.234 . . . . . . . . 59 GLY H . 52913 7 110 . 1 . 1 59 59 GLY N N 15 110.349 . . . . . . . . 59 GLY N . 52913 7 111 . 1 . 1 60 60 GLN H H 1 8.096 . . . . . . . . 60 GLN H . 52913 7 112 . 1 . 1 60 60 GLN N N 15 119.569 . . . . . . . . 60 GLN N . 52913 7 113 . 1 . 1 61 61 SER H H 1 8.335 . . . . . . . . 61 SER H . 52913 7 114 . 1 . 1 61 61 SER N N 15 116.665 . . . . . . . . 61 SER N . 52913 7 115 . 1 . 1 62 62 GLN H H 1 8.39 . . . . . . . . 62 GLN H . 52913 7 116 . 1 . 1 62 62 GLN N N 15 121.5 . . . . . . . . 62 GLN N . 52913 7 117 . 1 . 1 63 63 ASN H H 1 8.421 . . . . . . . . 63 ASN H . 52913 7 118 . 1 . 1 63 63 ASN N N 15 119.561 . . . . . . . . 63 ASN N . 52913 7 119 . 1 . 1 64 64 THR H H 1 8.101 . . . . . . . . 64 THR H . 52913 7 120 . 1 . 1 64 64 THR N N 15 113.658 . . . . . . . . 64 THR N . 52913 7 121 . 1 . 1 65 65 GLY H H 1 8.315 . . . . . . . . 65 GLY H . 52913 7 122 . 1 . 1 65 65 GLY N N 15 110.457 . . . . . . . . 65 GLY N . 52913 7 123 . 1 . 1 67 67 GLY H H 1 8.344 . . . . . . . . 67 GLY H . 52913 7 124 . 1 . 1 67 67 GLY N N 15 110.695 . . . . . . . . 67 GLY N . 52913 7 125 . 1 . 1 68 68 THR H H 1 8.029 . . . . . . . . 68 THR H . 52913 7 126 . 1 . 1 68 68 THR N N 15 113.384 . . . . . . . . 68 THR N . 52913 7 127 . 1 . 1 69 69 GLN H H 1 8.434 . . . . . . . . 69 GLN H . 52913 7 128 . 1 . 1 69 69 GLN N N 15 122.253 . . . . . . . . 69 GLN N . 52913 7 129 . 1 . 1 70 70 SER H H 1 8.325 . . . . . . . . 70 SER H . 52913 7 130 . 1 . 1 70 70 SER N N 15 117.001 . . . . . . . . 70 SER N . 52913 7 131 . 1 . 1 71 71 THR H H 1 8.119 . . . . . . . . 71 THR H . 52913 7 132 . 1 . 1 71 71 THR N N 15 117.475 . . . . . . . . 71 THR N . 52913 7 133 . 1 . 1 73 73 GLN H H 1 8.417 . . . . . . . . 73 GLN H . 52913 7 134 . 1 . 1 73 73 GLN N N 15 120.3 . . . . . . . . 73 GLN N . 52913 7 135 . 1 . 1 74 74 GLY H H 1 8.304 . . . . . . . . 74 GLY H . 52913 7 136 . 1 . 1 74 74 GLY N N 15 109.792 . . . . . . . . 74 GLY N . 52913 7 137 . 1 . 1 75 75 TYR H H 1 8.072 . . . . . . . . 75 TYR H . 52913 7 138 . 1 . 1 75 75 TYR N N 15 120.158 . . . . . . . . 75 TYR N . 52913 7 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 7 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 7 141 . 1 . 1 77 77 SER H H 1 8.182 . . . . . . . . 77 SER H . 52913 7 142 . 1 . 1 77 77 SER N N 15 115.562 . . . . . . . . 77 SER N . 52913 7 143 . 1 . 1 78 78 THR H H 1 8.213 . . . . . . . . 78 THR H . 52913 7 144 . 1 . 1 78 78 THR N N 15 114.783 . . . . . . . . 78 THR N . 52913 7 145 . 1 . 1 79 79 GLY H H 1 8.312 . . . . . . . . 79 GLY H . 52913 7 146 . 1 . 1 79 79 GLY N N 15 110.664 . . . . . . . . 79 GLY N . 52913 7 147 . 1 . 1 80 80 GLY H H 1 8.144 . . . . . . . . 80 GLY H . 52913 7 148 . 1 . 1 80 80 GLY N N 15 108.308 . . . . . . . . 80 GLY N . 52913 7 149 . 1 . 1 81 81 TYR H H 1 8.126 . . . . . . . . 81 TYR H . 52913 7 150 . 1 . 1 81 81 TYR N N 15 120.151 . . . . . . . . 81 TYR N . 52913 7 151 . 1 . 1 82 82 GLY H H 1 8.368 . . . . . . . . 82 GLY H . 52913 7 152 . 1 . 1 82 82 GLY N N 15 110.9 . . . . . . . . 82 GLY N . 52913 7 153 . 1 . 1 83 83 SER H H 1 8.142 . . . . . . . . 83 SER H . 52913 7 154 . 1 . 1 83 83 SER N N 15 115.498 . . . . . . . . 83 SER N . 52913 7 155 . 1 . 1 84 84 SER H H 1 8.404 . . . . . . . . 84 SER H . 52913 7 156 . 1 . 1 84 84 SER N N 15 117.611 . . . . . . . . 84 SER N . 52913 7 157 . 1 . 1 85 85 GLN H H 1 8.371 . . . . . . . . 85 GLN H . 52913 7 158 . 1 . 1 85 85 GLN N N 15 121.79 . . . . . . . . 85 GLN N . 52913 7 159 . 1 . 1 86 86 SER H H 1 8.28 . . . . . . . . 86 SER H . 52913 7 160 . 1 . 1 86 86 SER N N 15 116.412 . . . . . . . . 86 SER N . 52913 7 161 . 1 . 1 87 87 SER H H 1 8.316 . . . . . . . . 87 SER H . 52913 7 162 . 1 . 1 87 87 SER N N 15 117.488 . . . . . . . . 87 SER N . 52913 7 163 . 1 . 1 88 88 GLN H H 1 8.323 . . . . . . . . 88 GLN H . 52913 7 164 . 1 . 1 88 88 GLN N N 15 121.719 . . . . . . . . 88 GLN N . 52913 7 165 . 1 . 1 89 89 SER H H 1 8.257 . . . . . . . . 89 SER H . 52913 7 166 . 1 . 1 89 89 SER N N 15 116.422 . . . . . . . . 89 SER N . 52913 7 167 . 1 . 1 90 90 SER H H 1 8.218 . . . . . . . . 90 SER H . 52913 7 168 . 1 . 1 90 90 SER N N 15 117.459 . . . . . . . . 90 SER N . 52913 7 169 . 1 . 1 91 91 TYR H H 1 8.127 . . . . . . . . 91 TYR H . 52913 7 170 . 1 . 1 91 91 TYR N N 15 121.779 . . . . . . . . 91 TYR N . 52913 7 171 . 1 . 1 92 92 GLY H H 1 8.239 . . . . . . . . 92 GLY H . 52913 7 172 . 1 . 1 92 92 GLY N N 15 110.295 . . . . . . . . 92 GLY N . 52913 7 173 . 1 . 1 93 93 GLN H H 1 8.136 . . . . . . . . 93 GLN H . 52913 7 174 . 1 . 1 93 93 GLN N N 15 119.634 . . . . . . . . 93 GLN N . 52913 7 175 . 1 . 1 95 95 SER H H 1 8.288 . . . . . . . . 95 SER H . 52913 7 176 . 1 . 1 95 95 SER N N 15 116.483 . . . . . . . . 95 SER N . 52913 7 177 . 1 . 1 96 96 SER H H 1 8.137 . . . . . . . . 96 SER H . 52913 7 178 . 1 . 1 96 96 SER N N 15 117.018 . . . . . . . . 96 SER N . 52913 7 179 . 1 . 1 97 97 TYR H H 1 8.083 . . . . . . . . 97 TYR H . 52913 7 180 . 1 . 1 97 97 TYR N N 15 122.695 . . . . . . . . 97 TYR N . 52913 7 181 . 1 . 1 99 99 GLY H H 1 7.912 . . . . . . . . 99 GLY H . 52913 7 182 . 1 . 1 99 99 GLY N N 15 108.573 . . . . . . . . 99 GLY N . 52913 7 183 . 1 . 1 100 100 TYR H H 1 7.918 . . . . . . . . 100 TYR H . 52913 7 184 . 1 . 1 100 100 TYR N N 15 120.009 . . . . . . . . 100 TYR N . 52913 7 185 . 1 . 1 101 101 GLY H H 1 8.343 . . . . . . . . 101 GLY H . 52913 7 186 . 1 . 1 101 101 GLY N N 15 110.998 . . . . . . . . 101 GLY N . 52913 7 187 . 1 . 1 102 102 GLN H H 1 8.077 . . . . . . . . 102 GLN H . 52913 7 188 . 1 . 1 102 102 GLN N N 15 119.495 . . . . . . . . 102 GLN N . 52913 7 189 . 1 . 1 103 103 GLN H H 1 8.398 . . . . . . . . 103 GLN H . 52913 7 190 . 1 . 1 103 103 GLN N N 15 122.625 . . . . . . . . 103 GLN N . 52913 7 191 . 1 . 1 105 105 ALA H H 1 8.355 . . . . . . . . 105 ALA H . 52913 7 192 . 1 . 1 105 105 ALA N N 15 125.453 . . . . . . . . 105 ALA N . 52913 7 193 . 1 . 1 107 107 SER H H 1 8.369 . . . . . . . . 107 SER H . 52913 7 194 . 1 . 1 107 107 SER N N 15 115.6 . . . . . . . . 107 SER N . 52913 7 195 . 1 . 1 108 108 SER H H 1 8.38 . . . . . . . . 108 SER H . 52913 7 196 . 1 . 1 108 108 SER N N 15 117.537 . . . . . . . . 108 SER N . 52913 7 197 . 1 . 1 109 109 THR H H 1 8.185 . . . . . . . . 109 THR H . 52913 7 198 . 1 . 1 109 109 THR N N 15 114.821 . . . . . . . . 109 THR N . 52913 7 199 . 1 . 1 110 110 SER H H 1 8.235 . . . . . . . . 110 SER H . 52913 7 200 . 1 . 1 110 110 SER N N 15 117.7 . . . . . . . . 110 SER N . 52913 7 201 . 1 . 1 111 111 GLY H H 1 8.347 . . . . . . . . 111 GLY H . 52913 7 202 . 1 . 1 111 111 GLY N N 15 110.689 . . . . . . . . 111 GLY N . 52913 7 203 . 1 . 1 112 112 SER H H 1 8.098 . . . . . . . . 112 SER H . 52913 7 204 . 1 . 1 112 112 SER N N 15 115.434 . . . . . . . . 112 SER N . 52913 7 205 . 1 . 1 113 113 TYR H H 1 8.247 . . . . . . . . 113 TYR H . 52913 7 206 . 1 . 1 113 113 TYR N N 15 122.189 . . . . . . . . 113 TYR N . 52913 7 207 . 1 . 1 114 114 GLY H H 1 8.282 . . . . . . . . 114 GLY H . 52913 7 208 . 1 . 1 114 114 GLY N N 15 110.582 . . . . . . . . 114 GLY N . 52913 7 209 . 1 . 1 115 115 SER H H 1 8.174 . . . . . . . . 115 SER H . 52913 7 210 . 1 . 1 115 115 SER N N 15 115.566 . . . . . . . . 115 SER N . 52913 7 211 . 1 . 1 116 116 SER H H 1 8.414 . . . . . . . . 116 SER H . 52913 7 212 . 1 . 1 116 116 SER N N 15 117.658 . . . . . . . . 116 SER N . 52913 7 213 . 1 . 1 117 117 SER H H 1 8.314 . . . . . . . . 117 SER H . 52913 7 214 . 1 . 1 117 117 SER N N 15 117.645 . . . . . . . . 117 SER N . 52913 7 215 . 1 . 1 118 118 GLN H H 1 8.316 . . . . . . . . 118 GLN H . 52913 7 216 . 1 . 1 118 118 GLN N N 15 121.778 . . . . . . . . 118 GLN N . 52913 7 217 . 1 . 1 119 119 SER H H 1 8.279 . . . . . . . . 119 SER H . 52913 7 218 . 1 . 1 119 119 SER N N 15 116.499 . . . . . . . . 119 SER N . 52913 7 219 . 1 . 1 120 120 SER H H 1 8.314 . . . . . . . . 120 SER H . 52913 7 220 . 1 . 1 120 120 SER N N 15 117.593 . . . . . . . . 120 SER N . 52913 7 221 . 1 . 1 121 121 SER H H 1 8.229 . . . . . . . . 121 SER H . 52913 7 222 . 1 . 1 121 121 SER N N 15 117.344 . . . . . . . . 121 SER N . 52913 7 223 . 1 . 1 122 122 TYR H H 1 8.074 . . . . . . . . 122 TYR H . 52913 7 224 . 1 . 1 122 122 TYR N N 15 121.839 . . . . . . . . 122 TYR N . 52913 7 225 . 1 . 1 123 123 GLY H H 1 8.213 . . . . . . . . 123 GLY H . 52913 7 226 . 1 . 1 123 123 GLY N N 15 110.555 . . . . . . . . 123 GLY N . 52913 7 227 . 1 . 1 124 124 GLN H H 1 8.056 . . . . . . . . 124 GLN H . 52913 7 228 . 1 . 1 124 124 GLN N N 15 120.427 . . . . . . . . 124 GLN N . 52913 7 229 . 1 . 1 126 126 GLN H H 1 8.543 . . . . . . . . 126 GLN H . 52913 7 230 . 1 . 1 126 126 GLN N N 15 120.605 . . . . . . . . 126 GLN N . 52913 7 231 . 1 . 1 127 127 SER H H 1 8.34 . . . . . . . . 127 SER H . 52913 7 232 . 1 . 1 127 127 SER N N 15 116.72 . . . . . . . . 127 SER N . 52913 7 233 . 1 . 1 128 128 GLY H H 1 8.404 . . . . . . . . 128 GLY H . 52913 7 234 . 1 . 1 128 128 GLY N N 15 110.705 . . . . . . . . 128 GLY N . 52913 7 235 . 1 . 1 129 129 SER H H 1 8.113 . . . . . . . . 129 SER H . 52913 7 236 . 1 . 1 129 129 SER N N 15 115.376 . . . . . . . . 129 SER N . 52913 7 237 . 1 . 1 131 131 SER H H 1 8.105 . . . . . . . . 131 SER H . 52913 7 238 . 1 . 1 131 131 SER N N 15 116.967 . . . . . . . . 131 SER N . 52913 7 239 . 1 . 1 132 132 GLN H H 1 8.228 . . . . . . . . 132 GLN H . 52913 7 240 . 1 . 1 132 132 GLN N N 15 121.816 . . . . . . . . 132 GLN N . 52913 7 241 . 1 . 1 133 133 GLN H H 1 8.299 . . . . . . . . 133 GLN H . 52913 7 242 . 1 . 1 133 133 GLN N N 15 122.389 . . . . . . . . 133 GLN N . 52913 7 243 . 1 . 1 135 135 SER H H 1 8.272 . . . . . . . . 135 SER H . 52913 7 244 . 1 . 1 135 135 SER N N 15 115.467 . . . . . . . . 135 SER N . 52913 7 245 . 1 . 1 136 136 TYR H H 1 8.179 . . . . . . . . 136 TYR H . 52913 7 246 . 1 . 1 136 136 TYR N N 15 122.023 . . . . . . . . 136 TYR N . 52913 7 247 . 1 . 1 137 137 GLY H H 1 8.339 . . . . . . . . 137 GLY H . 52913 7 248 . 1 . 1 137 137 GLY N N 15 110.711 . . . . . . . . 137 GLY N . 52913 7 249 . 1 . 1 138 138 GLY H H 1 7.945 . . . . . . . . 138 GLY H . 52913 7 250 . 1 . 1 138 138 GLY N N 15 108.237 . . . . . . . . 138 GLY N . 52913 7 251 . 1 . 1 139 139 GLN H H 1 8.263 . . . . . . . . 139 GLN H . 52913 7 252 . 1 . 1 139 139 GLN N N 15 119.647 . . . . . . . . 139 GLN N . 52913 7 253 . 1 . 1 140 140 GLN H H 1 8.457 . . . . . . . . 140 GLN H . 52913 7 254 . 1 . 1 140 140 GLN N N 15 121.381 . . . . . . . . 140 GLN N . 52913 7 255 . 1 . 1 141 141 GLN H H 1 8.39 . . . . . . . . 141 GLN H . 52913 7 256 . 1 . 1 141 141 GLN N N 15 121.375 . . . . . . . . 141 GLN N . 52913 7 257 . 1 . 1 142 142 SER H H 1 8.243 . . . . . . . . 142 SER H . 52913 7 258 . 1 . 1 142 142 SER N N 15 116.586 . . . . . . . . 142 SER N . 52913 7 259 . 1 . 1 143 143 TYR H H 1 8.215 . . . . . . . . 143 TYR H . 52913 7 260 . 1 . 1 143 143 TYR N N 15 122.085 . . . . . . . . 143 TYR N . 52913 7 261 . 1 . 1 144 144 GLY H H 1 8.305 . . . . . . . . 144 GLY H . 52913 7 262 . 1 . 1 144 144 GLY N N 15 110.176 . . . . . . . . 144 GLY N . 52913 7 263 . 1 . 1 145 145 GLN H H 1 8.166 . . . . . . . . 145 GLN H . 52913 7 264 . 1 . 1 145 145 GLN N N 15 119.7 . . . . . . . . 145 GLN N . 52913 7 265 . 1 . 1 146 146 GLN H H 1 8.437 . . . . . . . . 146 GLN H . 52913 7 266 . 1 . 1 146 146 GLN N N 15 121.281 . . . . . . . . 146 GLN N . 52913 7 267 . 1 . 1 147 147 GLN H H 1 8.4 . . . . . . . . 147 GLN H . 52913 7 268 . 1 . 1 147 147 GLN N N 15 121.348 . . . . . . . . 147 GLN N . 52913 7 269 . 1 . 1 148 148 SER H H 1 8.246 . . . . . . . . 148 SER H . 52913 7 270 . 1 . 1 148 148 SER N N 15 116.619 . . . . . . . . 148 SER N . 52913 7 271 . 1 . 1 149 149 TYR H H 1 8.181 . . . . . . . . 149 TYR H . 52913 7 272 . 1 . 1 149 149 TYR N N 15 122.304 . . . . . . . . 149 TYR N . 52913 7 273 . 1 . 1 150 150 ASN H H 1 8.202 . . . . . . . . 150 ASN H . 52913 7 274 . 1 . 1 150 150 ASN N N 15 123.048 . . . . . . . . 150 ASN N . 52913 7 275 . 1 . 1 153 153 GLN H H 1 8.435 . . . . . . . . 153 GLN H . 52913 7 276 . 1 . 1 153 153 GLN N N 15 119.955 . . . . . . . . 153 GLN N . 52913 7 277 . 1 . 1 154 154 GLY H H 1 8.333 . . . . . . . . 154 GLY H . 52913 7 278 . 1 . 1 154 154 GLY N N 15 109.893 . . . . . . . . 154 GLY N . 52913 7 279 . 1 . 1 155 155 TYR H H 1 8.104 . . . . . . . . 155 TYR H . 52913 7 280 . 1 . 1 155 155 TYR N N 15 119.985 . . . . . . . . 155 TYR N . 52913 7 281 . 1 . 1 156 156 GLY H H 1 8.384 . . . . . . . . 156 GLY H . 52913 7 282 . 1 . 1 156 156 GLY N N 15 110.793 . . . . . . . . 156 GLY N . 52913 7 283 . 1 . 1 157 157 GLN H H 1 8.164 . . . . . . . . 157 GLN H . 52913 7 284 . 1 . 1 157 157 GLN N N 15 119.648 . . . . . . . . 157 GLN N . 52913 7 285 . 1 . 1 158 158 GLN H H 1 8.46 . . . . . . . . 158 GLN H . 52913 7 286 . 1 . 1 158 158 GLN N N 15 120.953 . . . . . . . . 158 GLN N . 52913 7 287 . 1 . 1 159 159 ASN H H 1 8.427 . . . . . . . . 159 ASN H . 52913 7 288 . 1 . 1 159 159 ASN N N 15 119.495 . . . . . . . . 159 ASN N . 52913 7 289 . 1 . 1 160 160 GLN H H 1 8.284 . . . . . . . . 160 GLN H . 52913 7 290 . 1 . 1 160 160 GLN N N 15 120.092 . . . . . . . . 160 GLN N . 52913 7 291 . 1 . 1 161 161 TYR H H 1 8.182 . . . . . . . . 161 TYR H . 52913 7 292 . 1 . 1 161 161 TYR N N 15 120.391 . . . . . . . . 161 TYR N . 52913 7 293 . 1 . 1 162 162 ASN H H 1 8.263 . . . . . . . . 162 ASN H . 52913 7 294 . 1 . 1 162 162 ASN N N 15 120.42 . . . . . . . . 162 ASN N . 52913 7 295 . 1 . 1 163 163 SER H H 1 7.822 . . . . . . . . 163 SER H . 52913 7 296 . 1 . 1 163 163 SER N N 15 121.287 . . . . . . . . 163 SER N . 52913 7 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Name '2.5% 1,4BD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 8 '2D 1H-15N HSQC' . . . 52913 8 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0063290297371680 . 52913 8 na 'all 15N' . -0.0063290297210823 . 52913 8 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 8 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.534 . . . . . . . . 2 ALA H . 52913 8 2 . 1 . 1 2 2 ALA N N 15 125.788 . . . . . . . . 2 ALA N . 52913 8 3 . 1 . 1 3 3 SER H H 1 8.275 . . . . . . . . 3 SER H . 52913 8 4 . 1 . 1 3 3 SER N N 15 115.03 . . . . . . . . 3 SER N . 52913 8 5 . 1 . 1 4 4 ASN H H 1 8.398 . . . . . . . . 4 ASN H . 52913 8 6 . 1 . 1 4 4 ASN N N 15 120.29 . . . . . . . . 4 ASN N . 52913 8 7 . 1 . 1 5 5 ASP H H 1 8.143 . . . . . . . . 5 ASP H . 52913 8 8 . 1 . 1 5 5 ASP N N 15 120.072 . . . . . . . . 5 ASP N . 52913 8 9 . 1 . 1 6 6 TYR H H 1 8.164 . . . . . . . . 6 TYR H . 52913 8 10 . 1 . 1 6 6 TYR N N 15 120.977 . . . . . . . . 6 TYR N . 52913 8 11 . 1 . 1 7 7 THR H H 1 8.042 . . . . . . . . 7 THR H . 52913 8 12 . 1 . 1 7 7 THR N N 15 115.124 . . . . . . . . 7 THR N . 52913 8 13 . 1 . 1 8 8 GLN H H 1 8.189 . . . . . . . . 8 GLN H . 52913 8 14 . 1 . 1 8 8 GLN N N 15 122.046 . . . . . . . . 8 GLN N . 52913 8 15 . 1 . 1 9 9 GLN H H 1 8.257 . . . . . . . . 9 GLN H . 52913 8 16 . 1 . 1 9 9 GLN N N 15 121.073 . . . . . . . . 9 GLN N . 52913 8 17 . 1 . 1 10 10 ALA H H 1 8.332 . . . . . . . . 10 ALA H . 52913 8 18 . 1 . 1 10 10 ALA N N 15 124.915 . . . . . . . . 10 ALA N . 52913 8 19 . 1 . 1 11 11 THR H H 1 8.053 . . . . . . . . 11 THR H . 52913 8 20 . 1 . 1 11 11 THR N N 15 112.957 . . . . . . . . 11 THR N . 52913 8 21 . 1 . 1 12 12 GLN H H 1 8.277 . . . . . . . . 12 GLN H . 52913 8 22 . 1 . 1 12 12 GLN N N 15 122.252 . . . . . . . . 12 GLN N . 52913 8 23 . 1 . 1 13 13 SER H H 1 8.234 . . . . . . . . 13 SER H . 52913 8 24 . 1 . 1 13 13 SER N N 15 116.765 . . . . . . . . 13 SER N . 52913 8 25 . 1 . 1 14 14 TYR H H 1 8.189 . . . . . . . . 14 TYR H . 52913 8 26 . 1 . 1 14 14 TYR N N 15 122.077 . . . . . . . . 14 TYR N . 52913 8 27 . 1 . 1 15 15 GLY H H 1 8.208 . . . . . . . . 15 GLY H . 52913 8 28 . 1 . 1 15 15 GLY N N 15 110.357 . . . . . . . . 15 GLY N . 52913 8 29 . 1 . 1 16 16 ALA H H 1 7.927 . . . . . . . . 16 ALA H . 52913 8 30 . 1 . 1 16 16 ALA N N 15 123.271 . . . . . . . . 16 ALA N . 52913 8 31 . 1 . 1 17 17 TYR H H 1 8.043 . . . . . . . . 17 TYR H . 52913 8 32 . 1 . 1 17 17 TYR N N 15 120.123 . . . . . . . . 17 TYR N . 52913 8 33 . 1 . 1 19 19 THR H H 1 8.121 . . . . . . . . 19 THR H . 52913 8 34 . 1 . 1 19 19 THR N N 15 114.129 . . . . . . . . 19 THR N . 52913 8 35 . 1 . 1 20 20 GLN H H 1 8.283 . . . . . . . . 20 GLN H . 52913 8 36 . 1 . 1 20 20 GLN N N 15 123.187 . . . . . . . . 20 GLN N . 52913 8 37 . 1 . 1 22 22 GLY H H 1 8.482 . . . . . . . . 22 GLY H . 52913 8 38 . 1 . 1 22 22 GLY N N 15 109.499 . . . . . . . . 22 GLY N . 52913 8 39 . 1 . 1 23 23 GLN H H 1 8.146 . . . . . . . . 23 GLN H . 52913 8 40 . 1 . 1 23 23 GLN N N 15 119.412 . . . . . . . . 23 GLN N . 52913 8 41 . 1 . 1 24 24 GLY H H 1 8.414 . . . . . . . . 24 GLY H . 52913 8 42 . 1 . 1 24 24 GLY N N 15 109.732 . . . . . . . . 24 GLY N . 52913 8 43 . 1 . 1 25 25 TYR H H 1 8.035 . . . . . . . . 25 TYR H . 52913 8 44 . 1 . 1 25 25 TYR N N 15 120.097 . . . . . . . . 25 TYR N . 52913 8 45 . 1 . 1 26 26 SER H H 1 8.217 . . . . . . . . 26 SER H . 52913 8 46 . 1 . 1 26 26 SER N N 15 117.511 . . . . . . . . 26 SER N . 52913 8 47 . 1 . 1 27 27 GLN H H 1 8.349 . . . . . . . . 27 GLN H . 52913 8 48 . 1 . 1 27 27 GLN N N 15 122.212 . . . . . . . . 27 GLN N . 52913 8 49 . 1 . 1 28 28 GLN H H 1 8.353 . . . . . . . . 28 GLN H . 52913 8 50 . 1 . 1 28 28 GLN N N 15 121.007 . . . . . . . . 28 GLN N . 52913 8 51 . 1 . 1 29 29 SER H H 1 8.292 . . . . . . . . 29 SER H . 52913 8 52 . 1 . 1 29 29 SER N N 15 116.564 . . . . . . . . 29 SER N . 52913 8 53 . 1 . 1 30 30 SER H H 1 8.287 . . . . . . . . 30 SER H . 52913 8 54 . 1 . 1 30 30 SER N N 15 117.457 . . . . . . . . 30 SER N . 52913 8 55 . 1 . 1 31 31 GLN H H 1 8.219 . . . . . . . . 31 GLN H . 52913 8 56 . 1 . 1 31 31 GLN N N 15 122.3 . . . . . . . . 31 GLN N . 52913 8 57 . 1 . 1 33 33 TYR H H 1 8.151 . . . . . . . . 33 TYR H . 52913 8 58 . 1 . 1 33 33 TYR N N 15 119.976 . . . . . . . . 33 TYR N . 52913 8 59 . 1 . 1 34 34 GLY H H 1 8.198 . . . . . . . . 34 GLY H . 52913 8 60 . 1 . 1 34 34 GLY N N 15 110.562 . . . . . . . . 34 GLY N . 52913 8 61 . 1 . 1 35 35 GLN H H 1 8.133 . . . . . . . . 35 GLN H . 52913 8 62 . 1 . 1 35 35 GLN N N 15 119.717 . . . . . . . . 35 GLN N . 52913 8 63 . 1 . 1 36 36 GLN H H 1 8.417 . . . . . . . . 36 GLN H . 52913 8 64 . 1 . 1 36 36 GLN N N 15 121.311 . . . . . . . . 36 GLN N . 52913 8 65 . 1 . 1 37 37 SER H H 1 8.246 . . . . . . . . 37 SER H . 52913 8 66 . 1 . 1 37 37 SER N N 15 116.546 . . . . . . . . 37 SER N . 52913 8 67 . 1 . 1 38 38 TYR H H 1 8.214 . . . . . . . . 38 TYR H . 52913 8 68 . 1 . 1 38 38 TYR N N 15 122.265 . . . . . . . . 38 TYR N . 52913 8 69 . 1 . 1 39 39 SER H H 1 8.243 . . . . . . . . 39 SER H . 52913 8 70 . 1 . 1 39 39 SER N N 15 117.768 . . . . . . . . 39 SER N . 52913 8 71 . 1 . 1 40 40 GLY H H 1 7.811 . . . . . . . . 40 GLY H . 52913 8 72 . 1 . 1 40 40 GLY N N 15 110.106 . . . . . . . . 40 GLY N . 52913 8 73 . 1 . 1 41 41 TYR H H 1 7.961 . . . . . . . . 41 TYR H . 52913 8 74 . 1 . 1 41 41 TYR N N 15 119.956 . . . . . . . . 41 TYR N . 52913 8 75 . 1 . 1 42 42 SER H H 1 8.178 . . . . . . . . 42 SER H . 52913 8 76 . 1 . 1 42 42 SER N N 15 117.714 . . . . . . . . 42 SER N . 52913 8 77 . 1 . 1 43 43 GLN H H 1 8.332 . . . . . . . . 43 GLN H . 52913 8 78 . 1 . 1 43 43 GLN N N 15 122.241 . . . . . . . . 43 GLN N . 52913 8 79 . 1 . 1 44 44 SER H H 1 8.337 . . . . . . . . 44 SER H . 52913 8 80 . 1 . 1 44 44 SER N N 15 116.687 . . . . . . . . 44 SER N . 52913 8 81 . 1 . 1 45 45 THR H H 1 8.157 . . . . . . . . 45 THR H . 52913 8 82 . 1 . 1 45 45 THR N N 15 115.292 . . . . . . . . 45 THR N . 52913 8 83 . 1 . 1 46 46 ASP H H 1 8.312 . . . . . . . . 46 ASP H . 52913 8 84 . 1 . 1 46 46 ASP N N 15 122.627 . . . . . . . . 46 ASP N . 52913 8 85 . 1 . 1 47 47 THR H H 1 8.197 . . . . . . . . 47 THR H . 52913 8 86 . 1 . 1 47 47 THR N N 15 114.471 . . . . . . . . 47 THR N . 52913 8 87 . 1 . 1 48 48 SER H H 1 8.358 . . . . . . . . 48 SER H . 52913 8 88 . 1 . 1 48 48 SER N N 15 118.17 . . . . . . . . 48 SER N . 52913 8 89 . 1 . 1 49 49 GLY H H 1 8.307 . . . . . . . . 49 GLY H . 52913 8 90 . 1 . 1 49 49 GLY N N 15 110.27 . . . . . . . . 49 GLY N . 52913 8 91 . 1 . 1 50 50 TYR H H 1 8.043 . . . . . . . . 50 TYR H . 52913 8 92 . 1 . 1 50 50 TYR N N 15 120.078 . . . . . . . . 50 TYR N . 52913 8 93 . 1 . 1 51 51 GLY H H 1 8.35 . . . . . . . . 51 GLY H . 52913 8 94 . 1 . 1 51 51 GLY N N 15 110.673 . . . . . . . . 51 GLY N . 52913 8 95 . 1 . 1 52 52 GLN H H 1 8.139 . . . . . . . . 52 GLN H . 52913 8 96 . 1 . 1 52 52 GLN N N 15 119.701 . . . . . . . . 52 GLN N . 52913 8 97 . 1 . 1 53 53 SER H H 1 8.38 . . . . . . . . 53 SER H . 52913 8 98 . 1 . 1 53 53 SER N N 15 116.677 . . . . . . . . 53 SER N . 52913 8 99 . 1 . 1 54 54 SER H H 1 8.261 . . . . . . . . 54 SER H . 52913 8 100 . 1 . 1 54 54 SER N N 15 117.383 . . . . . . . . 54 SER N . 52913 8 101 . 1 . 1 55 55 TYR H H 1 8.11 . . . . . . . . 55 TYR H . 52913 8 102 . 1 . 1 55 55 TYR N N 15 121.755 . . . . . . . . 55 TYR N . 52913 8 103 . 1 . 1 56 56 SER H H 1 8.08 . . . . . . . . 56 SER H . 52913 8 104 . 1 . 1 56 56 SER N N 15 116.927 . . . . . . . . 56 SER N . 52913 8 105 . 1 . 1 57 57 SER H H 1 8.181 . . . . . . . . 57 SER H . 52913 8 106 . 1 . 1 57 57 SER N N 15 117.666 . . . . . . . . 57 SER N . 52913 8 107 . 1 . 1 58 58 TYR H H 1 8.103 . . . . . . . . 58 TYR H . 52913 8 108 . 1 . 1 58 58 TYR N N 15 121.772 . . . . . . . . 58 TYR N . 52913 8 109 . 1 . 1 59 59 GLY H H 1 8.237 . . . . . . . . 59 GLY H . 52913 8 110 . 1 . 1 59 59 GLY N N 15 110.378 . . . . . . . . 59 GLY N . 52913 8 111 . 1 . 1 60 60 GLN H H 1 8.1 . . . . . . . . 60 GLN H . 52913 8 112 . 1 . 1 60 60 GLN N N 15 119.597 . . . . . . . . 60 GLN N . 52913 8 113 . 1 . 1 61 61 SER H H 1 8.345 . . . . . . . . 61 SER H . 52913 8 114 . 1 . 1 61 61 SER N N 15 116.706 . . . . . . . . 61 SER N . 52913 8 115 . 1 . 1 62 62 GLN H H 1 8.395 . . . . . . . . 62 GLN H . 52913 8 116 . 1 . 1 62 62 GLN N N 15 121.523 . . . . . . . . 62 GLN N . 52913 8 117 . 1 . 1 63 63 ASN H H 1 8.427 . . . . . . . . 63 ASN H . 52913 8 118 . 1 . 1 63 63 ASN N N 15 119.548 . . . . . . . . 63 ASN N . 52913 8 119 . 1 . 1 64 64 THR H H 1 8.107 . . . . . . . . 64 THR H . 52913 8 120 . 1 . 1 64 64 THR N N 15 113.705 . . . . . . . . 64 THR N . 52913 8 121 . 1 . 1 65 65 GLY H H 1 8.319 . . . . . . . . 65 GLY H . 52913 8 122 . 1 . 1 65 65 GLY N N 15 110.512 . . . . . . . . 65 GLY N . 52913 8 123 . 1 . 1 67 67 GLY H H 1 8.343 . . . . . . . . 67 GLY H . 52913 8 124 . 1 . 1 67 67 GLY N N 15 110.738 . . . . . . . . 67 GLY N . 52913 8 125 . 1 . 1 68 68 THR H H 1 8.037 . . . . . . . . 68 THR H . 52913 8 126 . 1 . 1 68 68 THR N N 15 113.413 . . . . . . . . 68 THR N . 52913 8 127 . 1 . 1 69 69 GLN H H 1 8.437 . . . . . . . . 69 GLN H . 52913 8 128 . 1 . 1 69 69 GLN N N 15 122.3 . . . . . . . . 69 GLN N . 52913 8 129 . 1 . 1 70 70 SER H H 1 8.332 . . . . . . . . 70 SER H . 52913 8 130 . 1 . 1 70 70 SER N N 15 117.045 . . . . . . . . 70 SER N . 52913 8 131 . 1 . 1 71 71 THR H H 1 8.127 . . . . . . . . 71 THR H . 52913 8 132 . 1 . 1 71 71 THR N N 15 117.513 . . . . . . . . 71 THR N . 52913 8 133 . 1 . 1 73 73 GLN H H 1 8.42 . . . . . . . . 73 GLN H . 52913 8 134 . 1 . 1 73 73 GLN N N 15 120.342 . . . . . . . . 73 GLN N . 52913 8 135 . 1 . 1 74 74 GLY H H 1 8.307 . . . . . . . . 74 GLY H . 52913 8 136 . 1 . 1 74 74 GLY N N 15 109.827 . . . . . . . . 74 GLY N . 52913 8 137 . 1 . 1 75 75 TYR H H 1 8.072 . . . . . . . . 75 TYR H . 52913 8 138 . 1 . 1 75 75 TYR N N 15 120.186 . . . . . . . . 75 TYR N . 52913 8 139 . 1 . 1 76 76 GLY H H 1 8.365 . . . . . . . . 76 GLY H . 52913 8 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 8 141 . 1 . 1 77 77 SER H H 1 8.185 . . . . . . . . 77 SER H . 52913 8 142 . 1 . 1 77 77 SER N N 15 115.593 . . . . . . . . 77 SER N . 52913 8 143 . 1 . 1 78 78 THR H H 1 8.218 . . . . . . . . 78 THR H . 52913 8 144 . 1 . 1 78 78 THR N N 15 114.811 . . . . . . . . 78 THR N . 52913 8 145 . 1 . 1 79 79 GLY H H 1 8.315 . . . . . . . . 79 GLY H . 52913 8 146 . 1 . 1 79 79 GLY N N 15 110.691 . . . . . . . . 79 GLY N . 52913 8 147 . 1 . 1 80 80 GLY H H 1 8.145 . . . . . . . . 80 GLY H . 52913 8 148 . 1 . 1 80 80 GLY N N 15 108.336 . . . . . . . . 80 GLY N . 52913 8 149 . 1 . 1 81 81 TYR H H 1 8.127 . . . . . . . . 81 TYR H . 52913 8 150 . 1 . 1 81 81 TYR N N 15 120.181 . . . . . . . . 81 TYR N . 52913 8 151 . 1 . 1 82 82 GLY H H 1 8.367 . . . . . . . . 82 GLY H . 52913 8 152 . 1 . 1 82 82 GLY N N 15 110.896 . . . . . . . . 82 GLY N . 52913 8 153 . 1 . 1 83 83 SER H H 1 8.149 . . . . . . . . 83 SER H . 52913 8 154 . 1 . 1 83 83 SER N N 15 115.524 . . . . . . . . 83 SER N . 52913 8 155 . 1 . 1 84 84 SER H H 1 8.403 . . . . . . . . 84 SER H . 52913 8 156 . 1 . 1 84 84 SER N N 15 117.615 . . . . . . . . 84 SER N . 52913 8 157 . 1 . 1 85 85 GLN H H 1 8.375 . . . . . . . . 85 GLN H . 52913 8 158 . 1 . 1 85 85 GLN N N 15 121.834 . . . . . . . . 85 GLN N . 52913 8 159 . 1 . 1 86 86 SER H H 1 8.289 . . . . . . . . 86 SER H . 52913 8 160 . 1 . 1 86 86 SER N N 15 116.492 . . . . . . . . 86 SER N . 52913 8 161 . 1 . 1 87 87 SER H H 1 8.321 . . . . . . . . 87 SER H . 52913 8 162 . 1 . 1 87 87 SER N N 15 117.496 . . . . . . . . 87 SER N . 52913 8 163 . 1 . 1 88 88 GLN H H 1 8.325 . . . . . . . . 88 GLN H . 52913 8 164 . 1 . 1 88 88 GLN N N 15 121.753 . . . . . . . . 88 GLN N . 52913 8 165 . 1 . 1 89 89 SER H H 1 8.266 . . . . . . . . 89 SER H . 52913 8 166 . 1 . 1 89 89 SER N N 15 116.46 . . . . . . . . 89 SER N . 52913 8 167 . 1 . 1 90 90 SER H H 1 8.227 . . . . . . . . 90 SER H . 52913 8 168 . 1 . 1 90 90 SER N N 15 117.475 . . . . . . . . 90 SER N . 52913 8 169 . 1 . 1 91 91 TYR H H 1 8.131 . . . . . . . . 91 TYR H . 52913 8 170 . 1 . 1 91 91 TYR N N 15 121.829 . . . . . . . . 91 TYR N . 52913 8 171 . 1 . 1 92 92 GLY H H 1 8.241 . . . . . . . . 92 GLY H . 52913 8 172 . 1 . 1 92 92 GLY N N 15 110.339 . . . . . . . . 92 GLY N . 52913 8 173 . 1 . 1 93 93 GLN H H 1 8.139 . . . . . . . . 93 GLN H . 52913 8 174 . 1 . 1 93 93 GLN N N 15 119.66 . . . . . . . . 93 GLN N . 52913 8 175 . 1 . 1 95 95 SER H H 1 8.293 . . . . . . . . 95 SER H . 52913 8 176 . 1 . 1 95 95 SER N N 15 116.517 . . . . . . . . 95 SER N . 52913 8 177 . 1 . 1 96 96 SER H H 1 8.144 . . . . . . . . 96 SER H . 52913 8 178 . 1 . 1 96 96 SER N N 15 117.051 . . . . . . . . 96 SER N . 52913 8 179 . 1 . 1 97 97 TYR H H 1 8.08 . . . . . . . . 97 TYR H . 52913 8 180 . 1 . 1 97 97 TYR N N 15 122.717 . . . . . . . . 97 TYR N . 52913 8 181 . 1 . 1 99 99 GLY H H 1 7.903 . . . . . . . . 99 GLY H . 52913 8 182 . 1 . 1 99 99 GLY N N 15 108.589 . . . . . . . . 99 GLY N . 52913 8 183 . 1 . 1 100 100 TYR H H 1 7.917 . . . . . . . . 100 TYR H . 52913 8 184 . 1 . 1 100 100 TYR N N 15 120.032 . . . . . . . . 100 TYR N . 52913 8 185 . 1 . 1 101 101 GLY H H 1 8.344 . . . . . . . . 101 GLY H . 52913 8 186 . 1 . 1 101 101 GLY N N 15 111.047 . . . . . . . . 101 GLY N . 52913 8 187 . 1 . 1 102 102 GLN H H 1 8.082 . . . . . . . . 102 GLN H . 52913 8 188 . 1 . 1 102 102 GLN N N 15 119.524 . . . . . . . . 102 GLN N . 52913 8 189 . 1 . 1 103 103 GLN H H 1 8.401 . . . . . . . . 103 GLN H . 52913 8 190 . 1 . 1 103 103 GLN N N 15 122.65 . . . . . . . . 103 GLN N . 52913 8 191 . 1 . 1 105 105 ALA H H 1 8.361 . . . . . . . . 105 ALA H . 52913 8 192 . 1 . 1 105 105 ALA N N 15 125.51 . . . . . . . . 105 ALA N . 52913 8 193 . 1 . 1 107 107 SER H H 1 8.378 . . . . . . . . 107 SER H . 52913 8 194 . 1 . 1 107 107 SER N N 15 115.652 . . . . . . . . 107 SER N . 52913 8 195 . 1 . 1 108 108 SER H H 1 8.383 . . . . . . . . 108 SER H . 52913 8 196 . 1 . 1 108 108 SER N N 15 117.558 . . . . . . . . 108 SER N . 52913 8 197 . 1 . 1 109 109 THR H H 1 8.195 . . . . . . . . 109 THR H . 52913 8 198 . 1 . 1 109 109 THR N N 15 114.87 . . . . . . . . 109 THR N . 52913 8 199 . 1 . 1 110 110 SER H H 1 8.243 . . . . . . . . 110 SER H . 52913 8 200 . 1 . 1 110 110 SER N N 15 117.713 . . . . . . . . 110 SER N . 52913 8 201 . 1 . 1 111 111 GLY H H 1 8.348 . . . . . . . . 111 GLY H . 52913 8 202 . 1 . 1 111 111 GLY N N 15 110.7 . . . . . . . . 111 GLY N . 52913 8 203 . 1 . 1 112 112 SER H H 1 8.104 . . . . . . . . 112 SER H . 52913 8 204 . 1 . 1 112 112 SER N N 15 115.44 . . . . . . . . 112 SER N . 52913 8 205 . 1 . 1 113 113 TYR H H 1 8.251 . . . . . . . . 113 TYR H . 52913 8 206 . 1 . 1 113 113 TYR N N 15 122.232 . . . . . . . . 113 TYR N . 52913 8 207 . 1 . 1 114 114 GLY H H 1 8.285 . . . . . . . . 114 GLY H . 52913 8 208 . 1 . 1 114 114 GLY N N 15 110.617 . . . . . . . . 114 GLY N . 52913 8 209 . 1 . 1 115 115 SER H H 1 8.173 . . . . . . . . 115 SER H . 52913 8 210 . 1 . 1 115 115 SER N N 15 115.592 . . . . . . . . 115 SER N . 52913 8 211 . 1 . 1 116 116 SER H H 1 8.417 . . . . . . . . 116 SER H . 52913 8 212 . 1 . 1 116 116 SER N N 15 117.669 . . . . . . . . 116 SER N . 52913 8 213 . 1 . 1 117 117 SER H H 1 8.32 . . . . . . . . 117 SER H . 52913 8 214 . 1 . 1 117 117 SER N N 15 117.666 . . . . . . . . 117 SER N . 52913 8 215 . 1 . 1 118 118 GLN H H 1 8.319 . . . . . . . . 118 GLN H . 52913 8 216 . 1 . 1 118 118 GLN N N 15 121.809 . . . . . . . . 118 GLN N . 52913 8 217 . 1 . 1 119 119 SER H H 1 8.286 . . . . . . . . 119 SER H . 52913 8 218 . 1 . 1 119 119 SER N N 15 116.535 . . . . . . . . 119 SER N . 52913 8 219 . 1 . 1 120 120 SER H H 1 8.321 . . . . . . . . 120 SER H . 52913 8 220 . 1 . 1 120 120 SER N N 15 117.601 . . . . . . . . 120 SER N . 52913 8 221 . 1 . 1 121 121 SER H H 1 8.233 . . . . . . . . 121 SER H . 52913 8 222 . 1 . 1 121 121 SER N N 15 117.395 . . . . . . . . 121 SER N . 52913 8 223 . 1 . 1 122 122 TYR H H 1 8.078 . . . . . . . . 122 TYR H . 52913 8 224 . 1 . 1 122 122 TYR N N 15 121.89 . . . . . . . . 122 TYR N . 52913 8 225 . 1 . 1 123 123 GLY H H 1 8.217 . . . . . . . . 123 GLY H . 52913 8 226 . 1 . 1 123 123 GLY N N 15 110.599 . . . . . . . . 123 GLY N . 52913 8 227 . 1 . 1 124 124 GLN H H 1 8.06 . . . . . . . . 124 GLN H . 52913 8 228 . 1 . 1 124 124 GLN N N 15 120.45 . . . . . . . . 124 GLN N . 52913 8 229 . 1 . 1 126 126 GLN H H 1 8.547 . . . . . . . . 126 GLN H . 52913 8 230 . 1 . 1 126 126 GLN N N 15 120.66 . . . . . . . . 126 GLN N . 52913 8 231 . 1 . 1 127 127 SER H H 1 8.35 . . . . . . . . 127 SER H . 52913 8 232 . 1 . 1 127 127 SER N N 15 116.763 . . . . . . . . 127 SER N . 52913 8 233 . 1 . 1 128 128 GLY H H 1 8.41 . . . . . . . . 128 GLY H . 52913 8 234 . 1 . 1 128 128 GLY N N 15 110.745 . . . . . . . . 128 GLY N . 52913 8 235 . 1 . 1 129 129 SER H H 1 8.118 . . . . . . . . 129 SER H . 52913 8 236 . 1 . 1 129 129 SER N N 15 115.422 . . . . . . . . 129 SER N . 52913 8 237 . 1 . 1 131 131 SER H H 1 8.112 . . . . . . . . 131 SER H . 52913 8 238 . 1 . 1 131 131 SER N N 15 117.024 . . . . . . . . 131 SER N . 52913 8 239 . 1 . 1 132 132 GLN H H 1 8.233 . . . . . . . . 132 GLN H . 52913 8 240 . 1 . 1 132 132 GLN N N 15 121.843 . . . . . . . . 132 GLN N . 52913 8 241 . 1 . 1 133 133 GLN H H 1 8.306 . . . . . . . . 133 GLN H . 52913 8 242 . 1 . 1 133 133 GLN N N 15 122.42 . . . . . . . . 133 GLN N . 52913 8 243 . 1 . 1 135 135 SER H H 1 8.278 . . . . . . . . 135 SER H . 52913 8 244 . 1 . 1 135 135 SER N N 15 115.505 . . . . . . . . 135 SER N . 52913 8 245 . 1 . 1 136 136 TYR H H 1 8.184 . . . . . . . . 136 TYR H . 52913 8 246 . 1 . 1 136 136 TYR N N 15 122.06 . . . . . . . . 136 TYR N . 52913 8 247 . 1 . 1 137 137 GLY H H 1 8.34 . . . . . . . . 137 GLY H . 52913 8 248 . 1 . 1 137 137 GLY N N 15 110.747 . . . . . . . . 137 GLY N . 52913 8 249 . 1 . 1 138 138 GLY H H 1 7.947 . . . . . . . . 138 GLY H . 52913 8 250 . 1 . 1 138 138 GLY N N 15 108.263 . . . . . . . . 138 GLY N . 52913 8 251 . 1 . 1 139 139 GLN H H 1 8.265 . . . . . . . . 139 GLN H . 52913 8 252 . 1 . 1 139 139 GLN N N 15 119.666 . . . . . . . . 139 GLN N . 52913 8 253 . 1 . 1 140 140 GLN H H 1 8.465 . . . . . . . . 140 GLN H . 52913 8 254 . 1 . 1 140 140 GLN N N 15 121.413 . . . . . . . . 140 GLN N . 52913 8 255 . 1 . 1 141 141 GLN H H 1 8.397 . . . . . . . . 141 GLN H . 52913 8 256 . 1 . 1 141 141 GLN N N 15 121.426 . . . . . . . . 141 GLN N . 52913 8 257 . 1 . 1 142 142 SER H H 1 8.251 . . . . . . . . 142 SER H . 52913 8 258 . 1 . 1 142 142 SER N N 15 116.589 . . . . . . . . 142 SER N . 52913 8 259 . 1 . 1 143 143 TYR H H 1 8.219 . . . . . . . . 143 TYR H . 52913 8 260 . 1 . 1 143 143 TYR N N 15 122.09 . . . . . . . . 143 TYR N . 52913 8 261 . 1 . 1 144 144 GLY H H 1 8.308 . . . . . . . . 144 GLY H . 52913 8 262 . 1 . 1 144 144 GLY N N 15 110.221 . . . . . . . . 144 GLY N . 52913 8 263 . 1 . 1 145 145 GLN H H 1 8.169 . . . . . . . . 145 GLN H . 52913 8 264 . 1 . 1 145 145 GLN N N 15 119.727 . . . . . . . . 145 GLN N . 52913 8 265 . 1 . 1 146 146 GLN H H 1 8.44 . . . . . . . . 146 GLN H . 52913 8 266 . 1 . 1 146 146 GLN N N 15 121.302 . . . . . . . . 146 GLN N . 52913 8 267 . 1 . 1 147 147 GLN H H 1 8.406 . . . . . . . . 147 GLN H . 52913 8 268 . 1 . 1 147 147 GLN N N 15 121.375 . . . . . . . . 147 GLN N . 52913 8 269 . 1 . 1 148 148 SER H H 1 8.254 . . . . . . . . 148 SER H . 52913 8 270 . 1 . 1 148 148 SER N N 15 116.655 . . . . . . . . 148 SER N . 52913 8 271 . 1 . 1 149 149 TYR H H 1 8.186 . . . . . . . . 149 TYR H . 52913 8 272 . 1 . 1 149 149 TYR N N 15 122.342 . . . . . . . . 149 TYR N . 52913 8 273 . 1 . 1 150 150 ASN H H 1 8.207 . . . . . . . . 150 ASN H . 52913 8 274 . 1 . 1 150 150 ASN N N 15 123.105 . . . . . . . . 150 ASN N . 52913 8 275 . 1 . 1 153 153 GLN H H 1 8.439 . . . . . . . . 153 GLN H . 52913 8 276 . 1 . 1 153 153 GLN N N 15 119.98 . . . . . . . . 153 GLN N . 52913 8 277 . 1 . 1 154 154 GLY H H 1 8.338 . . . . . . . . 154 GLY H . 52913 8 278 . 1 . 1 154 154 GLY N N 15 109.961 . . . . . . . . 154 GLY N . 52913 8 279 . 1 . 1 155 155 TYR H H 1 8.106 . . . . . . . . 155 TYR H . 52913 8 280 . 1 . 1 155 155 TYR N N 15 120.032 . . . . . . . . 155 TYR N . 52913 8 281 . 1 . 1 156 156 GLY H H 1 8.388 . . . . . . . . 156 GLY H . 52913 8 282 . 1 . 1 156 156 GLY N N 15 110.832 . . . . . . . . 156 GLY N . 52913 8 283 . 1 . 1 157 157 GLN H H 1 8.167 . . . . . . . . 157 GLN H . 52913 8 284 . 1 . 1 157 157 GLN N N 15 119.669 . . . . . . . . 157 GLN N . 52913 8 285 . 1 . 1 158 158 GLN H H 1 8.463 . . . . . . . . 158 GLN H . 52913 8 286 . 1 . 1 158 158 GLN N N 15 120.981 . . . . . . . . 158 GLN N . 52913 8 287 . 1 . 1 159 159 ASN H H 1 8.434 . . . . . . . . 159 ASN H . 52913 8 288 . 1 . 1 159 159 ASN N N 15 119.506 . . . . . . . . 159 ASN N . 52913 8 289 . 1 . 1 160 160 GLN H H 1 8.285 . . . . . . . . 160 GLN H . 52913 8 290 . 1 . 1 160 160 GLN N N 15 120.128 . . . . . . . . 160 GLN N . 52913 8 291 . 1 . 1 161 161 TYR H H 1 8.187 . . . . . . . . 161 TYR H . 52913 8 292 . 1 . 1 161 161 TYR N N 15 120.455 . . . . . . . . 161 TYR N . 52913 8 293 . 1 . 1 162 162 ASN H H 1 8.273 . . . . . . . . 162 ASN H . 52913 8 294 . 1 . 1 162 162 ASN N N 15 120.489 . . . . . . . . 162 ASN N . 52913 8 295 . 1 . 1 163 163 SER H H 1 7.831 . . . . . . . . 163 SER H . 52913 8 296 . 1 . 1 163 163 SER N N 15 121.327 . . . . . . . . 163 SER N . 52913 8 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_9 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Name '5% 1,4BD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '2D 1H-15N HSQC' . . . 52913 9 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0012844060316257 . 52913 9 na 'all 15N' . -0.0012844060274850 . 52913 9 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 9 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.526 . . . . . . . . 2 ALA H . 52913 9 2 . 1 . 1 2 2 ALA N N 15 125.739 . . . . . . . . 2 ALA N . 52913 9 3 . 1 . 1 3 3 SER H H 1 8.264 . . . . . . . . 3 SER H . 52913 9 4 . 1 . 1 3 3 SER N N 15 114.975 . . . . . . . . 3 SER N . 52913 9 5 . 1 . 1 4 4 ASN H H 1 8.388 . . . . . . . . 4 ASN H . 52913 9 6 . 1 . 1 4 4 ASN N N 15 120.268 . . . . . . . . 4 ASN N . 52913 9 7 . 1 . 1 5 5 ASP H H 1 8.136 . . . . . . . . 5 ASP H . 52913 9 8 . 1 . 1 5 5 ASP N N 15 120.036 . . . . . . . . 5 ASP N . 52913 9 9 . 1 . 1 6 6 TYR H H 1 8.159 . . . . . . . . 6 TYR H . 52913 9 10 . 1 . 1 6 6 TYR N N 15 120.95 . . . . . . . . 6 TYR N . 52913 9 11 . 1 . 1 7 7 THR H H 1 8.033 . . . . . . . . 7 THR H . 52913 9 12 . 1 . 1 7 7 THR N N 15 115.048 . . . . . . . . 7 THR N . 52913 9 13 . 1 . 1 8 8 GLN H H 1 8.179 . . . . . . . . 8 GLN H . 52913 9 14 . 1 . 1 8 8 GLN N N 15 121.997 . . . . . . . . 8 GLN N . 52913 9 15 . 1 . 1 9 9 GLN H H 1 8.247 . . . . . . . . 9 GLN H . 52913 9 16 . 1 . 1 9 9 GLN N N 15 121.015 . . . . . . . . 9 GLN N . 52913 9 17 . 1 . 1 10 10 ALA H H 1 8.323 . . . . . . . . 10 ALA H . 52913 9 18 . 1 . 1 10 10 ALA N N 15 124.865 . . . . . . . . 10 ALA N . 52913 9 19 . 1 . 1 11 11 THR H H 1 8.041 . . . . . . . . 11 THR H . 52913 9 20 . 1 . 1 11 11 THR N N 15 112.907 . . . . . . . . 11 THR N . 52913 9 21 . 1 . 1 12 12 GLN H H 1 8.268 . . . . . . . . 12 GLN H . 52913 9 22 . 1 . 1 12 12 GLN N N 15 122.216 . . . . . . . . 12 GLN N . 52913 9 23 . 1 . 1 13 13 SER H H 1 8.222 . . . . . . . . 13 SER H . 52913 9 24 . 1 . 1 13 13 SER N N 15 116.72 . . . . . . . . 13 SER N . 52913 9 25 . 1 . 1 14 14 TYR H H 1 8.178 . . . . . . . . 14 TYR H . 52913 9 26 . 1 . 1 14 14 TYR N N 15 122.044 . . . . . . . . 14 TYR N . 52913 9 27 . 1 . 1 15 15 GLY H H 1 8.2 . . . . . . . . 15 GLY H . 52913 9 28 . 1 . 1 15 15 GLY N N 15 110.315 . . . . . . . . 15 GLY N . 52913 9 29 . 1 . 1 16 16 ALA H H 1 7.92 . . . . . . . . 16 ALA H . 52913 9 30 . 1 . 1 16 16 ALA N N 15 123.242 . . . . . . . . 16 ALA N . 52913 9 31 . 1 . 1 17 17 TYR H H 1 8.039 . . . . . . . . 17 TYR H . 52913 9 32 . 1 . 1 17 17 TYR N N 15 120.083 . . . . . . . . 17 TYR N . 52913 9 33 . 1 . 1 19 19 THR H H 1 8.11 . . . . . . . . 19 THR H . 52913 9 34 . 1 . 1 19 19 THR N N 15 114.101 . . . . . . . . 19 THR N . 52913 9 35 . 1 . 1 20 20 GLN H H 1 8.273 . . . . . . . . 20 GLN H . 52913 9 36 . 1 . 1 20 20 GLN N N 15 123.159 . . . . . . . . 20 GLN N . 52913 9 37 . 1 . 1 22 22 GLY H H 1 8.477 . . . . . . . . 22 GLY H . 52913 9 38 . 1 . 1 22 22 GLY N N 15 109.48 . . . . . . . . 22 GLY N . 52913 9 39 . 1 . 1 23 23 GLN H H 1 8.137 . . . . . . . . 23 GLN H . 52913 9 40 . 1 . 1 23 23 GLN N N 15 119.384 . . . . . . . . 23 GLN N . 52913 9 41 . 1 . 1 24 24 GLY H H 1 8.407 . . . . . . . . 24 GLY H . 52913 9 42 . 1 . 1 24 24 GLY N N 15 109.703 . . . . . . . . 24 GLY N . 52913 9 43 . 1 . 1 25 25 TYR H H 1 8.031 . . . . . . . . 25 TYR H . 52913 9 44 . 1 . 1 25 25 TYR N N 15 120.057 . . . . . . . . 25 TYR N . 52913 9 45 . 1 . 1 26 26 SER H H 1 8.213 . . . . . . . . 26 SER H . 52913 9 46 . 1 . 1 26 26 SER N N 15 117.471 . . . . . . . . 26 SER N . 52913 9 47 . 1 . 1 27 27 GLN H H 1 8.345 . . . . . . . . 27 GLN H . 52913 9 48 . 1 . 1 27 27 GLN N N 15 122.178 . . . . . . . . 27 GLN N . 52913 9 49 . 1 . 1 28 28 GLN H H 1 8.346 . . . . . . . . 28 GLN H . 52913 9 50 . 1 . 1 28 28 GLN N N 15 120.976 . . . . . . . . 28 GLN N . 52913 9 51 . 1 . 1 29 29 SER H H 1 8.283 . . . . . . . . 29 SER H . 52913 9 52 . 1 . 1 29 29 SER N N 15 116.525 . . . . . . . . 29 SER N . 52913 9 53 . 1 . 1 30 30 SER H H 1 8.279 . . . . . . . . 30 SER H . 52913 9 54 . 1 . 1 30 30 SER N N 15 117.422 . . . . . . . . 30 SER N . 52913 9 55 . 1 . 1 31 31 GLN H H 1 8.209 . . . . . . . . 31 GLN H . 52913 9 56 . 1 . 1 31 31 GLN N N 15 122.256 . . . . . . . . 31 GLN N . 52913 9 57 . 1 . 1 33 33 TYR H H 1 8.141 . . . . . . . . 33 TYR H . 52913 9 58 . 1 . 1 33 33 TYR N N 15 119.954 . . . . . . . . 33 TYR N . 52913 9 59 . 1 . 1 34 34 GLY H H 1 8.189 . . . . . . . . 34 GLY H . 52913 9 60 . 1 . 1 34 34 GLY N N 15 110.514 . . . . . . . . 34 GLY N . 52913 9 61 . 1 . 1 35 35 GLN H H 1 8.129 . . . . . . . . 35 GLN H . 52913 9 62 . 1 . 1 35 35 GLN N N 15 119.677 . . . . . . . . 35 GLN N . 52913 9 63 . 1 . 1 36 36 GLN H H 1 8.408 . . . . . . . . 36 GLN H . 52913 9 64 . 1 . 1 36 36 GLN N N 15 121.283 . . . . . . . . 36 GLN N . 52913 9 65 . 1 . 1 37 37 SER H H 1 8.238 . . . . . . . . 37 SER H . 52913 9 66 . 1 . 1 37 37 SER N N 15 116.534 . . . . . . . . 37 SER N . 52913 9 67 . 1 . 1 38 38 TYR H H 1 8.208 . . . . . . . . 38 TYR H . 52913 9 68 . 1 . 1 38 38 TYR N N 15 122.218 . . . . . . . . 38 TYR N . 52913 9 69 . 1 . 1 39 39 SER H H 1 8.233 . . . . . . . . 39 SER H . 52913 9 70 . 1 . 1 39 39 SER N N 15 117.737 . . . . . . . . 39 SER N . 52913 9 71 . 1 . 1 40 40 GLY H H 1 7.806 . . . . . . . . 40 GLY H . 52913 9 72 . 1 . 1 40 40 GLY N N 15 110.065 . . . . . . . . 40 GLY N . 52913 9 73 . 1 . 1 41 41 TYR H H 1 7.955 . . . . . . . . 41 TYR H . 52913 9 74 . 1 . 1 41 41 TYR N N 15 119.919 . . . . . . . . 41 TYR N . 52913 9 75 . 1 . 1 42 42 SER H H 1 8.168 . . . . . . . . 42 SER H . 52913 9 76 . 1 . 1 42 42 SER N N 15 117.698 . . . . . . . . 42 SER N . 52913 9 77 . 1 . 1 43 43 GLN H H 1 8.326 . . . . . . . . 43 GLN H . 52913 9 78 . 1 . 1 43 43 GLN N N 15 122.215 . . . . . . . . 43 GLN N . 52913 9 79 . 1 . 1 44 44 SER H H 1 8.328 . . . . . . . . 44 SER H . 52913 9 80 . 1 . 1 44 44 SER N N 15 116.655 . . . . . . . . 44 SER N . 52913 9 81 . 1 . 1 45 45 THR H H 1 8.147 . . . . . . . . 45 THR H . 52913 9 82 . 1 . 1 45 45 THR N N 15 115.272 . . . . . . . . 45 THR N . 52913 9 83 . 1 . 1 46 46 ASP H H 1 8.304 . . . . . . . . 46 ASP H . 52913 9 84 . 1 . 1 46 46 ASP N N 15 122.612 . . . . . . . . 46 ASP N . 52913 9 85 . 1 . 1 47 47 THR H H 1 8.188 . . . . . . . . 47 THR H . 52913 9 86 . 1 . 1 47 47 THR N N 15 114.441 . . . . . . . . 47 THR N . 52913 9 87 . 1 . 1 48 48 SER H H 1 8.35 . . . . . . . . 48 SER H . 52913 9 88 . 1 . 1 48 48 SER N N 15 118.153 . . . . . . . . 48 SER N . 52913 9 89 . 1 . 1 49 49 GLY H H 1 8.303 . . . . . . . . 49 GLY H . 52913 9 90 . 1 . 1 49 49 GLY N N 15 110.23 . . . . . . . . 49 GLY N . 52913 9 91 . 1 . 1 50 50 TYR H H 1 8.039 . . . . . . . . 50 TYR H . 52913 9 92 . 1 . 1 50 50 TYR N N 15 120.038 . . . . . . . . 50 TYR N . 52913 9 93 . 1 . 1 51 51 GLY H H 1 8.344 . . . . . . . . 51 GLY H . 52913 9 94 . 1 . 1 51 51 GLY N N 15 110.639 . . . . . . . . 51 GLY N . 52913 9 95 . 1 . 1 52 52 GLN H H 1 8.131 . . . . . . . . 52 GLN H . 52913 9 96 . 1 . 1 52 52 GLN N N 15 119.67 . . . . . . . . 52 GLN N . 52913 9 97 . 1 . 1 53 53 SER H H 1 8.371 . . . . . . . . 53 SER H . 52913 9 98 . 1 . 1 53 53 SER N N 15 116.637 . . . . . . . . 53 SER N . 52913 9 99 . 1 . 1 54 54 SER H H 1 8.254 . . . . . . . . 54 SER H . 52913 9 100 . 1 . 1 54 54 SER N N 15 117.369 . . . . . . . . 54 SER N . 52913 9 101 . 1 . 1 55 55 TYR H H 1 8.101 . . . . . . . . 55 TYR H . 52913 9 102 . 1 . 1 55 55 TYR N N 15 121.708 . . . . . . . . 55 TYR N . 52913 9 103 . 1 . 1 56 56 SER H H 1 8.071 . . . . . . . . 56 SER H . 52913 9 104 . 1 . 1 56 56 SER N N 15 116.88 . . . . . . . . 56 SER N . 52913 9 105 . 1 . 1 57 57 SER H H 1 8.173 . . . . . . . . 57 SER H . 52913 9 106 . 1 . 1 57 57 SER N N 15 117.649 . . . . . . . . 57 SER N . 52913 9 107 . 1 . 1 58 58 TYR H H 1 8.093 . . . . . . . . 58 TYR H . 52913 9 108 . 1 . 1 58 58 TYR N N 15 121.761 . . . . . . . . 58 TYR N . 52913 9 109 . 1 . 1 59 59 GLY H H 1 8.233 . . . . . . . . 59 GLY H . 52913 9 110 . 1 . 1 59 59 GLY N N 15 110.338 . . . . . . . . 59 GLY N . 52913 9 111 . 1 . 1 60 60 GLN H H 1 8.093 . . . . . . . . 60 GLN H . 52913 9 112 . 1 . 1 60 60 GLN N N 15 119.574 . . . . . . . . 60 GLN N . 52913 9 113 . 1 . 1 61 61 SER H H 1 8.336 . . . . . . . . 61 SER H . 52913 9 114 . 1 . 1 61 61 SER N N 15 116.693 . . . . . . . . 61 SER N . 52913 9 115 . 1 . 1 62 62 GLN H H 1 8.387 . . . . . . . . 62 GLN H . 52913 9 116 . 1 . 1 62 62 GLN N N 15 121.506 . . . . . . . . 62 GLN N . 52913 9 117 . 1 . 1 63 63 ASN H H 1 8.421 . . . . . . . . 63 ASN H . 52913 9 118 . 1 . 1 63 63 ASN N N 15 119.499 . . . . . . . . 63 ASN N . 52913 9 119 . 1 . 1 64 64 THR H H 1 8.096 . . . . . . . . 64 THR H . 52913 9 120 . 1 . 1 64 64 THR N N 15 113.661 . . . . . . . . 64 THR N . 52913 9 121 . 1 . 1 65 65 GLY H H 1 8.312 . . . . . . . . 65 GLY H . 52913 9 122 . 1 . 1 65 65 GLY N N 15 110.471 . . . . . . . . 65 GLY N . 52913 9 123 . 1 . 1 67 67 GLY H H 1 8.339 . . . . . . . . 67 GLY H . 52913 9 124 . 1 . 1 67 67 GLY N N 15 110.695 . . . . . . . . 67 GLY N . 52913 9 125 . 1 . 1 68 68 THR H H 1 8.027 . . . . . . . . 68 THR H . 52913 9 126 . 1 . 1 68 68 THR N N 15 113.392 . . . . . . . . 68 THR N . 52913 9 127 . 1 . 1 69 69 GLN H H 1 8.43 . . . . . . . . 69 GLN H . 52913 9 128 . 1 . 1 69 69 GLN N N 15 122.259 . . . . . . . . 69 GLN N . 52913 9 129 . 1 . 1 70 70 SER H H 1 8.324 . . . . . . . . 70 SER H . 52913 9 130 . 1 . 1 70 70 SER N N 15 117.001 . . . . . . . . 70 SER N . 52913 9 131 . 1 . 1 71 71 THR H H 1 8.118 . . . . . . . . 71 THR H . 52913 9 132 . 1 . 1 71 71 THR N N 15 117.471 . . . . . . . . 71 THR N . 52913 9 133 . 1 . 1 73 73 GLN H H 1 8.412 . . . . . . . . 73 GLN H . 52913 9 134 . 1 . 1 73 73 GLN N N 15 120.3 . . . . . . . . 73 GLN N . 52913 9 135 . 1 . 1 74 74 GLY H H 1 8.299 . . . . . . . . 74 GLY H . 52913 9 136 . 1 . 1 74 74 GLY N N 15 109.797 . . . . . . . . 74 GLY N . 52913 9 137 . 1 . 1 75 75 TYR H H 1 8.068 . . . . . . . . 75 TYR H . 52913 9 138 . 1 . 1 75 75 TYR N N 15 120.146 . . . . . . . . 75 TYR N . 52913 9 139 . 1 . 1 76 76 GLY H H 1 8.361 . . . . . . . . 76 GLY H . 52913 9 140 . 1 . 1 76 76 GLY N N 15 110.798 . . . . . . . . 76 GLY N . 52913 9 141 . 1 . 1 77 77 SER H H 1 8.176 . . . . . . . . 77 SER H . 52913 9 142 . 1 . 1 77 77 SER N N 15 115.572 . . . . . . . . 77 SER N . 52913 9 143 . 1 . 1 78 78 THR H H 1 8.208 . . . . . . . . 78 THR H . 52913 9 144 . 1 . 1 78 78 THR N N 15 114.789 . . . . . . . . 78 THR N . 52913 9 145 . 1 . 1 79 79 GLY H H 1 8.308 . . . . . . . . 79 GLY H . 52913 9 146 . 1 . 1 79 79 GLY N N 15 110.662 . . . . . . . . 79 GLY N . 52913 9 147 . 1 . 1 80 80 GLY H H 1 8.139 . . . . . . . . 80 GLY H . 52913 9 148 . 1 . 1 80 80 GLY N N 15 108.312 . . . . . . . . 80 GLY N . 52913 9 149 . 1 . 1 81 81 TYR H H 1 8.124 . . . . . . . . 81 TYR H . 52913 9 150 . 1 . 1 81 81 TYR N N 15 120.14 . . . . . . . . 81 TYR N . 52913 9 151 . 1 . 1 82 82 GLY H H 1 8.363 . . . . . . . . 82 GLY H . 52913 9 152 . 1 . 1 82 82 GLY N N 15 110.856 . . . . . . . . 82 GLY N . 52913 9 153 . 1 . 1 83 83 SER H H 1 8.14 . . . . . . . . 83 SER H . 52913 9 154 . 1 . 1 83 83 SER N N 15 115.503 . . . . . . . . 83 SER N . 52913 9 155 . 1 . 1 84 84 SER H H 1 8.397 . . . . . . . . 84 SER H . 52913 9 156 . 1 . 1 84 84 SER N N 15 117.585 . . . . . . . . 84 SER N . 52913 9 157 . 1 . 1 85 85 GLN H H 1 8.368 . . . . . . . . 85 GLN H . 52913 9 158 . 1 . 1 85 85 GLN N N 15 121.795 . . . . . . . . 85 GLN N . 52913 9 159 . 1 . 1 86 86 SER H H 1 8.279 . . . . . . . . 86 SER H . 52913 9 160 . 1 . 1 86 86 SER N N 15 116.434 . . . . . . . . 86 SER N . 52913 9 161 . 1 . 1 87 87 SER H H 1 8.315 . . . . . . . . 87 SER H . 52913 9 162 . 1 . 1 87 87 SER N N 15 117.459 . . . . . . . . 87 SER N . 52913 9 163 . 1 . 1 88 88 GLN H H 1 8.321 . . . . . . . . 88 GLN H . 52913 9 164 . 1 . 1 88 88 GLN N N 15 121.713 . . . . . . . . 88 GLN N . 52913 9 165 . 1 . 1 89 89 SER H H 1 8.256 . . . . . . . . 89 SER H . 52913 9 166 . 1 . 1 89 89 SER N N 15 116.424 . . . . . . . . 89 SER N . 52913 9 167 . 1 . 1 90 90 SER H H 1 8.223 . . . . . . . . 90 SER H . 52913 9 168 . 1 . 1 90 90 SER N N 15 117.435 . . . . . . . . 90 SER N . 52913 9 169 . 1 . 1 91 91 TYR H H 1 8.127 . . . . . . . . 91 TYR H . 52913 9 170 . 1 . 1 91 91 TYR N N 15 121.789 . . . . . . . . 91 TYR N . 52913 9 171 . 1 . 1 92 92 GLY H H 1 8.234 . . . . . . . . 92 GLY H . 52913 9 172 . 1 . 1 92 92 GLY N N 15 110.296 . . . . . . . . 92 GLY N . 52913 9 173 . 1 . 1 93 93 GLN H H 1 8.132 . . . . . . . . 93 GLN H . 52913 9 174 . 1 . 1 93 93 GLN N N 15 119.636 . . . . . . . . 93 GLN N . 52913 9 175 . 1 . 1 95 95 SER H H 1 8.284 . . . . . . . . 95 SER H . 52913 9 176 . 1 . 1 95 95 SER N N 15 116.472 . . . . . . . . 95 SER N . 52913 9 177 . 1 . 1 96 96 SER H H 1 8.134 . . . . . . . . 96 SER H . 52913 9 178 . 1 . 1 96 96 SER N N 15 117.016 . . . . . . . . 96 SER N . 52913 9 179 . 1 . 1 97 97 TYR H H 1 8.076 . . . . . . . . 97 TYR H . 52913 9 180 . 1 . 1 97 97 TYR N N 15 122.699 . . . . . . . . 97 TYR N . 52913 9 181 . 1 . 1 99 99 GLY H H 1 7.904 . . . . . . . . 99 GLY H . 52913 9 182 . 1 . 1 99 99 GLY N N 15 108.573 . . . . . . . . 99 GLY N . 52913 9 183 . 1 . 1 100 100 TYR H H 1 7.913 . . . . . . . . 100 TYR H . 52913 9 184 . 1 . 1 100 100 TYR N N 15 120.009 . . . . . . . . 100 TYR N . 52913 9 185 . 1 . 1 101 101 GLY H H 1 8.338 . . . . . . . . 101 GLY H . 52913 9 186 . 1 . 1 101 101 GLY N N 15 111.008 . . . . . . . . 101 GLY N . 52913 9 187 . 1 . 1 102 102 GLN H H 1 8.075 . . . . . . . . 102 GLN H . 52913 9 188 . 1 . 1 102 102 GLN N N 15 119.502 . . . . . . . . 102 GLN N . 52913 9 189 . 1 . 1 103 103 GLN H H 1 8.395 . . . . . . . . 103 GLN H . 52913 9 190 . 1 . 1 103 103 GLN N N 15 122.627 . . . . . . . . 103 GLN N . 52913 9 191 . 1 . 1 105 105 ALA H H 1 8.352 . . . . . . . . 105 ALA H . 52913 9 192 . 1 . 1 105 105 ALA N N 15 125.461 . . . . . . . . 105 ALA N . 52913 9 193 . 1 . 1 107 107 SER H H 1 8.367 . . . . . . . . 107 SER H . 52913 9 194 . 1 . 1 107 107 SER N N 15 115.603 . . . . . . . . 107 SER N . 52913 9 195 . 1 . 1 108 108 SER H H 1 8.375 . . . . . . . . 108 SER H . 52913 9 196 . 1 . 1 108 108 SER N N 15 117.538 . . . . . . . . 108 SER N . 52913 9 197 . 1 . 1 109 109 THR H H 1 8.184 . . . . . . . . 109 THR H . 52913 9 198 . 1 . 1 109 109 THR N N 15 114.826 . . . . . . . . 109 THR N . 52913 9 199 . 1 . 1 110 110 SER H H 1 8.233 . . . . . . . . 110 SER H . 52913 9 200 . 1 . 1 110 110 SER N N 15 117.7 . . . . . . . . 110 SER N . 52913 9 201 . 1 . 1 111 111 GLY H H 1 8.344 . . . . . . . . 111 GLY H . 52913 9 202 . 1 . 1 111 111 GLY N N 15 110.66 . . . . . . . . 111 GLY N . 52913 9 203 . 1 . 1 112 112 SER H H 1 8.098 . . . . . . . . 112 SER H . 52913 9 204 . 1 . 1 112 112 SER N N 15 115.435 . . . . . . . . 112 SER N . 52913 9 205 . 1 . 1 113 113 TYR H H 1 8.244 . . . . . . . . 113 TYR H . 52913 9 206 . 1 . 1 113 113 TYR N N 15 122.209 . . . . . . . . 113 TYR N . 52913 9 207 . 1 . 1 114 114 GLY H H 1 8.279 . . . . . . . . 114 GLY H . 52913 9 208 . 1 . 1 114 114 GLY N N 15 110.587 . . . . . . . . 114 GLY N . 52913 9 209 . 1 . 1 115 115 SER H H 1 8.166 . . . . . . . . 115 SER H . 52913 9 210 . 1 . 1 115 115 SER N N 15 115.573 . . . . . . . . 115 SER N . 52913 9 211 . 1 . 1 116 116 SER H H 1 8.405 . . . . . . . . 116 SER H . 52913 9 212 . 1 . 1 116 116 SER N N 15 117.631 . . . . . . . . 116 SER N . 52913 9 213 . 1 . 1 117 117 SER H H 1 8.312 . . . . . . . . 117 SER H . 52913 9 214 . 1 . 1 117 117 SER N N 15 117.616 . . . . . . . . 117 SER N . 52913 9 215 . 1 . 1 118 118 GLN H H 1 8.315 . . . . . . . . 118 GLN H . 52913 9 216 . 1 . 1 118 118 GLN N N 15 121.769 . . . . . . . . 118 GLN N . 52913 9 217 . 1 . 1 119 119 SER H H 1 8.278 . . . . . . . . 119 SER H . 52913 9 218 . 1 . 1 119 119 SER N N 15 116.492 . . . . . . . . 119 SER N . 52913 9 219 . 1 . 1 120 120 SER H H 1 8.312 . . . . . . . . 120 SER H . 52913 9 220 . 1 . 1 120 120 SER N N 15 117.552 . . . . . . . . 120 SER N . 52913 9 221 . 1 . 1 121 121 SER H H 1 8.225 . . . . . . . . 121 SER H . 52913 9 222 . 1 . 1 121 121 SER N N 15 117.346 . . . . . . . . 121 SER N . 52913 9 223 . 1 . 1 122 122 TYR H H 1 8.07 . . . . . . . . 122 TYR H . 52913 9 224 . 1 . 1 122 122 TYR N N 15 121.845 . . . . . . . . 122 TYR N . 52913 9 225 . 1 . 1 123 123 GLY H H 1 8.211 . . . . . . . . 123 GLY H . 52913 9 226 . 1 . 1 123 123 GLY N N 15 110.571 . . . . . . . . 123 GLY N . 52913 9 227 . 1 . 1 124 124 GLN H H 1 8.052 . . . . . . . . 124 GLN H . 52913 9 228 . 1 . 1 124 124 GLN N N 15 120.431 . . . . . . . . 124 GLN N . 52913 9 229 . 1 . 1 126 126 GLN H H 1 8.539 . . . . . . . . 126 GLN H . 52913 9 230 . 1 . 1 126 126 GLN N N 15 120.611 . . . . . . . . 126 GLN N . 52913 9 231 . 1 . 1 127 127 SER H H 1 8.342 . . . . . . . . 127 SER H . 52913 9 232 . 1 . 1 127 127 SER N N 15 116.739 . . . . . . . . 127 SER N . 52913 9 233 . 1 . 1 128 128 GLY H H 1 8.401 . . . . . . . . 128 GLY H . 52913 9 234 . 1 . 1 128 128 GLY N N 15 110.715 . . . . . . . . 128 GLY N . 52913 9 235 . 1 . 1 129 129 SER H H 1 8.111 . . . . . . . . 129 SER H . 52913 9 236 . 1 . 1 129 129 SER N N 15 115.372 . . . . . . . . 129 SER N . 52913 9 237 . 1 . 1 131 131 SER H H 1 8.102 . . . . . . . . 131 SER H . 52913 9 238 . 1 . 1 131 131 SER N N 15 116.984 . . . . . . . . 131 SER N . 52913 9 239 . 1 . 1 132 132 GLN H H 1 8.226 . . . . . . . . 132 GLN H . 52913 9 240 . 1 . 1 132 132 GLN N N 15 121.823 . . . . . . . . 132 GLN N . 52913 9 241 . 1 . 1 133 133 GLN H H 1 8.296 . . . . . . . . 133 GLN H . 52913 9 242 . 1 . 1 133 133 GLN N N 15 122.393 . . . . . . . . 133 GLN N . 52913 9 243 . 1 . 1 135 135 SER H H 1 8.27 . . . . . . . . 135 SER H . 52913 9 244 . 1 . 1 135 135 SER N N 15 115.475 . . . . . . . . 135 SER N . 52913 9 245 . 1 . 1 136 136 TYR H H 1 8.177 . . . . . . . . 136 TYR H . 52913 9 246 . 1 . 1 136 136 TYR N N 15 122.01 . . . . . . . . 136 TYR N . 52913 9 247 . 1 . 1 137 137 GLY H H 1 8.336 . . . . . . . . 137 GLY H . 52913 9 248 . 1 . 1 137 137 GLY N N 15 110.707 . . . . . . . . 137 GLY N . 52913 9 249 . 1 . 1 138 138 GLY H H 1 7.942 . . . . . . . . 138 GLY H . 52913 9 250 . 1 . 1 138 138 GLY N N 15 108.244 . . . . . . . . 138 GLY N . 52913 9 251 . 1 . 1 139 139 GLN H H 1 8.259 . . . . . . . . 139 GLN H . 52913 9 252 . 1 . 1 139 139 GLN N N 15 119.652 . . . . . . . . 139 GLN N . 52913 9 253 . 1 . 1 140 140 GLN H H 1 8.454 . . . . . . . . 140 GLN H . 52913 9 254 . 1 . 1 140 140 GLN N N 15 121.39 . . . . . . . . 140 GLN N . 52913 9 255 . 1 . 1 141 141 GLN H H 1 8.389 . . . . . . . . 141 GLN H . 52913 9 256 . 1 . 1 141 141 GLN N N 15 121.372 . . . . . . . . 141 GLN N . 52913 9 257 . 1 . 1 142 142 SER H H 1 8.241 . . . . . . . . 142 SER H . 52913 9 258 . 1 . 1 142 142 SER N N 15 116.562 . . . . . . . . 142 SER N . 52913 9 259 . 1 . 1 143 143 TYR H H 1 8.211 . . . . . . . . 143 TYR H . 52913 9 260 . 1 . 1 143 143 TYR N N 15 122.063 . . . . . . . . 143 TYR N . 52913 9 261 . 1 . 1 144 144 GLY H H 1 8.303 . . . . . . . . 144 GLY H . 52913 9 262 . 1 . 1 144 144 GLY N N 15 110.181 . . . . . . . . 144 GLY N . 52913 9 263 . 1 . 1 145 145 GLN H H 1 8.161 . . . . . . . . 145 GLN H . 52913 9 264 . 1 . 1 145 145 GLN N N 15 119.676 . . . . . . . . 145 GLN N . 52913 9 265 . 1 . 1 146 146 GLN H H 1 8.433 . . . . . . . . 146 GLN H . 52913 9 266 . 1 . 1 146 146 GLN N N 15 121.283 . . . . . . . . 146 GLN N . 52913 9 267 . 1 . 1 147 147 GLN H H 1 8.395 . . . . . . . . 147 GLN H . 52913 9 268 . 1 . 1 147 147 GLN N N 15 121.356 . . . . . . . . 147 GLN N . 52913 9 269 . 1 . 1 148 148 SER H H 1 8.243 . . . . . . . . 148 SER H . 52913 9 270 . 1 . 1 148 148 SER N N 15 116.609 . . . . . . . . 148 SER N . 52913 9 271 . 1 . 1 149 149 TYR H H 1 8.178 . . . . . . . . 149 TYR H . 52913 9 272 . 1 . 1 149 149 TYR N N 15 122.313 . . . . . . . . 149 TYR N . 52913 9 273 . 1 . 1 150 150 ASN H H 1 8.202 . . . . . . . . 150 ASN H . 52913 9 274 . 1 . 1 150 150 ASN N N 15 123.072 . . . . . . . . 150 ASN N . 52913 9 275 . 1 . 1 153 153 GLN H H 1 8.432 . . . . . . . . 153 GLN H . 52913 9 276 . 1 . 1 153 153 GLN N N 15 119.956 . . . . . . . . 153 GLN N . 52913 9 277 . 1 . 1 154 154 GLY H H 1 8.33 . . . . . . . . 154 GLY H . 52913 9 278 . 1 . 1 154 154 GLY N N 15 109.906 . . . . . . . . 154 GLY N . 52913 9 279 . 1 . 1 155 155 TYR H H 1 8.102 . . . . . . . . 155 TYR H . 52913 9 280 . 1 . 1 155 155 TYR N N 15 119.992 . . . . . . . . 155 TYR N . 52913 9 281 . 1 . 1 156 156 GLY H H 1 8.382 . . . . . . . . 156 GLY H . 52913 9 282 . 1 . 1 156 156 GLY N N 15 110.801 . . . . . . . . 156 GLY N . 52913 9 283 . 1 . 1 157 157 GLN H H 1 8.16 . . . . . . . . 157 GLN H . 52913 9 284 . 1 . 1 157 157 GLN N N 15 119.633 . . . . . . . . 157 GLN N . 52913 9 285 . 1 . 1 158 158 GLN H H 1 8.456 . . . . . . . . 158 GLN H . 52913 9 286 . 1 . 1 158 158 GLN N N 15 120.957 . . . . . . . . 158 GLN N . 52913 9 287 . 1 . 1 159 159 ASN H H 1 8.43 . . . . . . . . 159 ASN H . 52913 9 288 . 1 . 1 159 159 ASN N N 15 119.466 . . . . . . . . 159 ASN N . 52913 9 289 . 1 . 1 160 160 GLN H H 1 8.28 . . . . . . . . 160 GLN H . 52913 9 290 . 1 . 1 160 160 GLN N N 15 120.102 . . . . . . . . 160 GLN N . 52913 9 291 . 1 . 1 161 161 TYR H H 1 8.179 . . . . . . . . 161 TYR H . 52913 9 292 . 1 . 1 161 161 TYR N N 15 120.417 . . . . . . . . 161 TYR N . 52913 9 293 . 1 . 1 162 162 ASN H H 1 8.261 . . . . . . . . 162 ASN H . 52913 9 294 . 1 . 1 162 162 ASN N N 15 120.433 . . . . . . . . 162 ASN N . 52913 9 295 . 1 . 1 163 163 SER H H 1 7.821 . . . . . . . . 163 SER H . 52913 9 296 . 1 . 1 163 163 SER N N 15 121.291 . . . . . . . . 163 SER N . 52913 9 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_10 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_10 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 10 _Assigned_chem_shift_list.Name '2.5% 1,2HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 10 '2D 1H-15N HSQC' . . . 52913 10 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0012844060316257 . 52913 10 na 'all 15N' . -0.0012844060274850 . 52913 10 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 10 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.537 . . . . . . . . 2 ALA H . 52913 10 2 . 1 . 1 2 2 ALA N N 15 125.767 . . . . . . . . 2 ALA N . 52913 10 3 . 1 . 1 3 3 SER H H 1 8.276 . . . . . . . . 3 SER H . 52913 10 4 . 1 . 1 3 3 SER N N 15 115.006 . . . . . . . . 3 SER N . 52913 10 5 . 1 . 1 4 4 ASN H H 1 8.401 . . . . . . . . 4 ASN H . 52913 10 6 . 1 . 1 4 4 ASN N N 15 120.277 . . . . . . . . 4 ASN N . 52913 10 7 . 1 . 1 5 5 ASP H H 1 8.147 . . . . . . . . 5 ASP H . 52913 10 8 . 1 . 1 5 5 ASP N N 15 120.049 . . . . . . . . 5 ASP N . 52913 10 9 . 1 . 1 6 6 TYR H H 1 8.166 . . . . . . . . 6 TYR H . 52913 10 10 . 1 . 1 6 6 TYR N N 15 120.961 . . . . . . . . 6 TYR N . 52913 10 11 . 1 . 1 7 7 THR H H 1 8.045 . . . . . . . . 7 THR H . 52913 10 12 . 1 . 1 7 7 THR N N 15 115.073 . . . . . . . . 7 THR N . 52913 10 13 . 1 . 1 8 8 GLN H H 1 8.185 . . . . . . . . 8 GLN H . 52913 10 14 . 1 . 1 8 8 GLN N N 15 122.012 . . . . . . . . 8 GLN N . 52913 10 15 . 1 . 1 9 9 GLN H H 1 8.259 . . . . . . . . 9 GLN H . 52913 10 16 . 1 . 1 9 9 GLN N N 15 121.03 . . . . . . . . 9 GLN N . 52913 10 17 . 1 . 1 10 10 ALA H H 1 8.334 . . . . . . . . 10 ALA H . 52913 10 18 . 1 . 1 10 10 ALA N N 15 124.884 . . . . . . . . 10 ALA N . 52913 10 19 . 1 . 1 11 11 THR H H 1 8.052 . . . . . . . . 11 THR H . 52913 10 20 . 1 . 1 11 11 THR N N 15 112.912 . . . . . . . . 11 THR N . 52913 10 21 . 1 . 1 12 12 GLN H H 1 8.278 . . . . . . . . 12 GLN H . 52913 10 22 . 1 . 1 12 12 GLN N N 15 122.228 . . . . . . . . 12 GLN N . 52913 10 23 . 1 . 1 13 13 SER H H 1 8.233 . . . . . . . . 13 SER H . 52913 10 24 . 1 . 1 13 13 SER N N 15 116.731 . . . . . . . . 13 SER N . 52913 10 25 . 1 . 1 14 14 TYR H H 1 8.189 . . . . . . . . 14 TYR H . 52913 10 26 . 1 . 1 14 14 TYR N N 15 122.038 . . . . . . . . 14 TYR N . 52913 10 27 . 1 . 1 15 15 GLY H H 1 8.211 . . . . . . . . 15 GLY H . 52913 10 28 . 1 . 1 15 15 GLY N N 15 110.33 . . . . . . . . 15 GLY N . 52913 10 29 . 1 . 1 16 16 ALA H H 1 7.929 . . . . . . . . 16 ALA H . 52913 10 30 . 1 . 1 16 16 ALA N N 15 123.25 . . . . . . . . 16 ALA N . 52913 10 31 . 1 . 1 17 17 TYR H H 1 8.044 . . . . . . . . 17 TYR H . 52913 10 32 . 1 . 1 17 17 TYR N N 15 120.118 . . . . . . . . 17 TYR N . 52913 10 33 . 1 . 1 19 19 THR H H 1 8.121 . . . . . . . . 19 THR H . 52913 10 34 . 1 . 1 19 19 THR N N 15 114.092 . . . . . . . . 19 THR N . 52913 10 35 . 1 . 1 20 20 GLN H H 1 8.282 . . . . . . . . 20 GLN H . 52913 10 36 . 1 . 1 20 20 GLN N N 15 123.167 . . . . . . . . 20 GLN N . 52913 10 37 . 1 . 1 22 22 GLY H H 1 8.487 . . . . . . . . 22 GLY H . 52913 10 38 . 1 . 1 22 22 GLY N N 15 109.496 . . . . . . . . 22 GLY N . 52913 10 39 . 1 . 1 23 23 GLN H H 1 8.148 . . . . . . . . 23 GLN H . 52913 10 40 . 1 . 1 23 23 GLN N N 15 119.411 . . . . . . . . 23 GLN N . 52913 10 41 . 1 . 1 24 24 GLY H H 1 8.417 . . . . . . . . 24 GLY H . 52913 10 42 . 1 . 1 24 24 GLY N N 15 109.722 . . . . . . . . 24 GLY N . 52913 10 43 . 1 . 1 25 25 TYR H H 1 8.04 . . . . . . . . 25 TYR H . 52913 10 44 . 1 . 1 25 25 TYR N N 15 120.044 . . . . . . . . 25 TYR N . 52913 10 45 . 1 . 1 26 26 SER H H 1 8.223 . . . . . . . . 26 SER H . 52913 10 46 . 1 . 1 26 26 SER N N 15 117.469 . . . . . . . . 26 SER N . 52913 10 47 . 1 . 1 27 27 GLN H H 1 8.356 . . . . . . . . 27 GLN H . 52913 10 48 . 1 . 1 27 27 GLN N N 15 122.195 . . . . . . . . 27 GLN N . 52913 10 49 . 1 . 1 28 28 GLN H H 1 8.356 . . . . . . . . 28 GLN H . 52913 10 50 . 1 . 1 28 28 GLN N N 15 120.983 . . . . . . . . 28 GLN N . 52913 10 51 . 1 . 1 29 29 SER H H 1 8.291 . . . . . . . . 29 SER H . 52913 10 52 . 1 . 1 29 29 SER N N 15 116.529 . . . . . . . . 29 SER N . 52913 10 53 . 1 . 1 30 30 SER H H 1 8.29 . . . . . . . . 30 SER H . 52913 10 54 . 1 . 1 30 30 SER N N 15 117.464 . . . . . . . . 30 SER N . 52913 10 55 . 1 . 1 31 31 GLN H H 1 8.221 . . . . . . . . 31 GLN H . 52913 10 56 . 1 . 1 31 31 GLN N N 15 122.295 . . . . . . . . 31 GLN N . 52913 10 57 . 1 . 1 33 33 TYR H H 1 8.149 . . . . . . . . 33 TYR H . 52913 10 58 . 1 . 1 33 33 TYR N N 15 119.941 . . . . . . . . 33 TYR N . 52913 10 59 . 1 . 1 34 34 GLY H H 1 8.199 . . . . . . . . 34 GLY H . 52913 10 60 . 1 . 1 34 34 GLY N N 15 110.519 . . . . . . . . 34 GLY N . 52913 10 61 . 1 . 1 35 35 GLN H H 1 8.138 . . . . . . . . 35 GLN H . 52913 10 62 . 1 . 1 35 35 GLN N N 15 119.706 . . . . . . . . 35 GLN N . 52913 10 63 . 1 . 1 36 36 GLN H H 1 8.419 . . . . . . . . 36 GLN H . 52913 10 64 . 1 . 1 36 36 GLN N N 15 121.292 . . . . . . . . 36 GLN N . 52913 10 65 . 1 . 1 37 37 SER H H 1 8.248 . . . . . . . . 37 SER H . 52913 10 66 . 1 . 1 37 37 SER N N 15 116.538 . . . . . . . . 37 SER N . 52913 10 67 . 1 . 1 38 38 TYR H H 1 8.217 . . . . . . . . 38 TYR H . 52913 10 68 . 1 . 1 38 38 TYR N N 15 122.24 . . . . . . . . 38 TYR N . 52913 10 69 . 1 . 1 39 39 SER H H 1 8.245 . . . . . . . . 39 SER H . 52913 10 70 . 1 . 1 39 39 SER N N 15 117.783 . . . . . . . . 39 SER N . 52913 10 71 . 1 . 1 40 40 GLY H H 1 7.818 . . . . . . . . 40 GLY H . 52913 10 72 . 1 . 1 40 40 GLY N N 15 110.088 . . . . . . . . 40 GLY N . 52913 10 73 . 1 . 1 41 41 TYR H H 1 7.961 . . . . . . . . 41 TYR H . 52913 10 74 . 1 . 1 41 41 TYR N N 15 119.947 . . . . . . . . 41 TYR N . 52913 10 75 . 1 . 1 42 42 SER H H 1 8.177 . . . . . . . . 42 SER H . 52913 10 76 . 1 . 1 42 42 SER N N 15 117.704 . . . . . . . . 42 SER N . 52913 10 77 . 1 . 1 43 43 GLN H H 1 8.335 . . . . . . . . 43 GLN H . 52913 10 78 . 1 . 1 43 43 GLN N N 15 122.232 . . . . . . . . 43 GLN N . 52913 10 79 . 1 . 1 44 44 SER H H 1 8.341 . . . . . . . . 44 SER H . 52913 10 80 . 1 . 1 44 44 SER N N 15 116.673 . . . . . . . . 44 SER N . 52913 10 81 . 1 . 1 45 45 THR H H 1 8.16 . . . . . . . . 45 THR H . 52913 10 82 . 1 . 1 45 45 THR N N 15 115.295 . . . . . . . . 45 THR N . 52913 10 83 . 1 . 1 46 46 ASP H H 1 8.316 . . . . . . . . 46 ASP H . 52913 10 84 . 1 . 1 46 46 ASP N N 15 122.625 . . . . . . . . 46 ASP N . 52913 10 85 . 1 . 1 47 47 THR H H 1 8.203 . . . . . . . . 47 THR H . 52913 10 86 . 1 . 1 47 47 THR N N 15 114.477 . . . . . . . . 47 THR N . 52913 10 87 . 1 . 1 48 48 SER H H 1 8.362 . . . . . . . . 48 SER H . 52913 10 88 . 1 . 1 48 48 SER N N 15 118.177 . . . . . . . . 48 SER N . 52913 10 89 . 1 . 1 49 49 GLY H H 1 8.312 . . . . . . . . 49 GLY H . 52913 10 90 . 1 . 1 49 49 GLY N N 15 110.279 . . . . . . . . 49 GLY N . 52913 10 91 . 1 . 1 50 50 TYR H H 1 8.042 . . . . . . . . 50 TYR H . 52913 10 92 . 1 . 1 50 50 TYR N N 15 120.087 . . . . . . . . 50 TYR N . 52913 10 93 . 1 . 1 51 51 GLY H H 1 8.353 . . . . . . . . 51 GLY H . 52913 10 94 . 1 . 1 51 51 GLY N N 15 110.657 . . . . . . . . 51 GLY N . 52913 10 95 . 1 . 1 52 52 GLN H H 1 8.144 . . . . . . . . 52 GLN H . 52913 10 96 . 1 . 1 52 52 GLN N N 15 119.706 . . . . . . . . 52 GLN N . 52913 10 97 . 1 . 1 53 53 SER H H 1 8.381 . . . . . . . . 53 SER H . 52913 10 98 . 1 . 1 53 53 SER N N 15 116.656 . . . . . . . . 53 SER N . 52913 10 99 . 1 . 1 54 54 SER H H 1 8.264 . . . . . . . . 54 SER H . 52913 10 100 . 1 . 1 54 54 SER N N 15 117.378 . . . . . . . . 54 SER N . 52913 10 101 . 1 . 1 55 55 TYR H H 1 8.109 . . . . . . . . 55 TYR H . 52913 10 102 . 1 . 1 55 55 TYR N N 15 121.745 . . . . . . . . 55 TYR N . 52913 10 103 . 1 . 1 56 56 SER H H 1 8.086 . . . . . . . . 56 SER H . 52913 10 104 . 1 . 1 56 56 SER N N 15 116.891 . . . . . . . . 56 SER N . 52913 10 105 . 1 . 1 57 57 SER H H 1 8.182 . . . . . . . . 57 SER H . 52913 10 106 . 1 . 1 57 57 SER N N 15 117.654 . . . . . . . . 57 SER N . 52913 10 107 . 1 . 1 58 58 TYR H H 1 8.102 . . . . . . . . 58 TYR H . 52913 10 108 . 1 . 1 58 58 TYR N N 15 121.805 . . . . . . . . 58 TYR N . 52913 10 109 . 1 . 1 59 59 GLY H H 1 8.242 . . . . . . . . 59 GLY H . 52913 10 110 . 1 . 1 59 59 GLY N N 15 110.371 . . . . . . . . 59 GLY N . 52913 10 111 . 1 . 1 60 60 GLN H H 1 8.103 . . . . . . . . 60 GLN H . 52913 10 112 . 1 . 1 60 60 GLN N N 15 119.578 . . . . . . . . 60 GLN N . 52913 10 113 . 1 . 1 61 61 SER H H 1 8.346 . . . . . . . . 61 SER H . 52913 10 114 . 1 . 1 61 61 SER N N 15 116.68 . . . . . . . . 61 SER N . 52913 10 115 . 1 . 1 62 62 GLN H H 1 8.399 . . . . . . . . 62 GLN H . 52913 10 116 . 1 . 1 62 62 GLN N N 15 121.51 . . . . . . . . 62 GLN N . 52913 10 117 . 1 . 1 63 63 ASN H H 1 8.43 . . . . . . . . 63 ASN H . 52913 10 118 . 1 . 1 63 63 ASN N N 15 119.573 . . . . . . . . 63 ASN N . 52913 10 119 . 1 . 1 64 64 THR H H 1 8.112 . . . . . . . . 64 THR H . 52913 10 120 . 1 . 1 64 64 THR N N 15 113.696 . . . . . . . . 64 THR N . 52913 10 121 . 1 . 1 65 65 GLY H H 1 8.322 . . . . . . . . 65 GLY H . 52913 10 122 . 1 . 1 65 65 GLY N N 15 110.503 . . . . . . . . 65 GLY N . 52913 10 123 . 1 . 1 67 67 GLY H H 1 8.349 . . . . . . . . 67 GLY H . 52913 10 124 . 1 . 1 67 67 GLY N N 15 110.726 . . . . . . . . 67 GLY N . 52913 10 125 . 1 . 1 68 68 THR H H 1 8.036 . . . . . . . . 68 THR H . 52913 10 126 . 1 . 1 68 68 THR N N 15 113.405 . . . . . . . . 68 THR N . 52913 10 127 . 1 . 1 69 69 GLN H H 1 8.441 . . . . . . . . 69 GLN H . 52913 10 128 . 1 . 1 69 69 GLN N N 15 122.293 . . . . . . . . 69 GLN N . 52913 10 129 . 1 . 1 70 70 SER H H 1 8.335 . . . . . . . . 70 SER H . 52913 10 130 . 1 . 1 70 70 SER N N 15 117.021 . . . . . . . . 70 SER N . 52913 10 131 . 1 . 1 71 71 THR H H 1 8.132 . . . . . . . . 71 THR H . 52913 10 132 . 1 . 1 71 71 THR N N 15 117.487 . . . . . . . . 71 THR N . 52913 10 133 . 1 . 1 73 73 GLN H H 1 8.424 . . . . . . . . 73 GLN H . 52913 10 134 . 1 . 1 73 73 GLN N N 15 120.333 . . . . . . . . 73 GLN N . 52913 10 135 . 1 . 1 74 74 GLY H H 1 8.312 . . . . . . . . 74 GLY H . 52913 10 136 . 1 . 1 74 74 GLY N N 15 109.814 . . . . . . . . 74 GLY N . 52913 10 137 . 1 . 1 75 75 TYR H H 1 8.076 . . . . . . . . 75 TYR H . 52913 10 138 . 1 . 1 75 75 TYR N N 15 120.181 . . . . . . . . 75 TYR N . 52913 10 139 . 1 . 1 76 76 GLY H H 1 8.37 . . . . . . . . 76 GLY H . 52913 10 140 . 1 . 1 76 76 GLY N N 15 110.834 . . . . . . . . 76 GLY N . 52913 10 141 . 1 . 1 77 77 SER H H 1 8.188 . . . . . . . . 77 SER H . 52913 10 142 . 1 . 1 77 77 SER N N 15 115.582 . . . . . . . . 77 SER N . 52913 10 143 . 1 . 1 78 78 THR H H 1 8.222 . . . . . . . . 78 THR H . 52913 10 144 . 1 . 1 78 78 THR N N 15 114.804 . . . . . . . . 78 THR N . 52913 10 145 . 1 . 1 79 79 GLY H H 1 8.319 . . . . . . . . 79 GLY H . 52913 10 146 . 1 . 1 79 79 GLY N N 15 110.674 . . . . . . . . 79 GLY N . 52913 10 147 . 1 . 1 80 80 GLY H H 1 8.15 . . . . . . . . 80 GLY H . 52913 10 148 . 1 . 1 80 80 GLY N N 15 108.329 . . . . . . . . 80 GLY N . 52913 10 149 . 1 . 1 81 81 TYR H H 1 8.133 . . . . . . . . 81 TYR H . 52913 10 150 . 1 . 1 81 81 TYR N N 15 120.174 . . . . . . . . 81 TYR N . 52913 10 151 . 1 . 1 82 82 GLY H H 1 8.371 . . . . . . . . 82 GLY H . 52913 10 152 . 1 . 1 82 82 GLY N N 15 110.882 . . . . . . . . 82 GLY N . 52913 10 153 . 1 . 1 83 83 SER H H 1 8.152 . . . . . . . . 83 SER H . 52913 10 154 . 1 . 1 83 83 SER N N 15 115.509 . . . . . . . . 83 SER N . 52913 10 155 . 1 . 1 84 84 SER H H 1 8.41 . . . . . . . . 84 SER H . 52913 10 156 . 1 . 1 84 84 SER N N 15 117.618 . . . . . . . . 84 SER N . 52913 10 157 . 1 . 1 85 85 GLN H H 1 8.379 . . . . . . . . 85 GLN H . 52913 10 158 . 1 . 1 85 85 GLN N N 15 121.829 . . . . . . . . 85 GLN N . 52913 10 159 . 1 . 1 86 86 SER H H 1 8.29 . . . . . . . . 86 SER H . 52913 10 160 . 1 . 1 86 86 SER N N 15 116.436 . . . . . . . . 86 SER N . 52913 10 161 . 1 . 1 87 87 SER H H 1 8.324 . . . . . . . . 87 SER H . 52913 10 162 . 1 . 1 87 87 SER N N 15 117.489 . . . . . . . . 87 SER N . 52913 10 163 . 1 . 1 88 88 GLN H H 1 8.33 . . . . . . . . 88 GLN H . 52913 10 164 . 1 . 1 88 88 GLN N N 15 121.771 . . . . . . . . 88 GLN N . 52913 10 165 . 1 . 1 89 89 SER H H 1 8.267 . . . . . . . . 89 SER H . 52913 10 166 . 1 . 1 89 89 SER N N 15 116.444 . . . . . . . . 89 SER N . 52913 10 167 . 1 . 1 90 90 SER H H 1 8.231 . . . . . . . . 90 SER H . 52913 10 168 . 1 . 1 90 90 SER N N 15 117.454 . . . . . . . . 90 SER N . 52913 10 169 . 1 . 1 91 91 TYR H H 1 8.135 . . . . . . . . 91 TYR H . 52913 10 170 . 1 . 1 91 91 TYR N N 15 121.815 . . . . . . . . 91 TYR N . 52913 10 171 . 1 . 1 92 92 GLY H H 1 8.243 . . . . . . . . 92 GLY H . 52913 10 172 . 1 . 1 92 92 GLY N N 15 110.301 . . . . . . . . 92 GLY N . 52913 10 173 . 1 . 1 93 93 GLN H H 1 8.141 . . . . . . . . 93 GLN H . 52913 10 174 . 1 . 1 93 93 GLN N N 15 119.652 . . . . . . . . 93 GLN N . 52913 10 175 . 1 . 1 95 95 SER H H 1 8.296 . . . . . . . . 95 SER H . 52913 10 176 . 1 . 1 95 95 SER N N 15 116.496 . . . . . . . . 95 SER N . 52913 10 177 . 1 . 1 96 96 SER H H 1 8.141 . . . . . . . . 96 SER H . 52913 10 178 . 1 . 1 96 96 SER N N 15 117.021 . . . . . . . . 96 SER N . 52913 10 179 . 1 . 1 97 97 TYR H H 1 8.084 . . . . . . . . 97 TYR H . 52913 10 180 . 1 . 1 97 97 TYR N N 15 122.705 . . . . . . . . 97 TYR N . 52913 10 181 . 1 . 1 99 99 GLY H H 1 7.913 . . . . . . . . 99 GLY H . 52913 10 182 . 1 . 1 99 99 GLY N N 15 108.583 . . . . . . . . 99 GLY N . 52913 10 183 . 1 . 1 100 100 TYR H H 1 7.922 . . . . . . . . 100 TYR H . 52913 10 184 . 1 . 1 100 100 TYR N N 15 120.048 . . . . . . . . 100 TYR N . 52913 10 185 . 1 . 1 101 101 GLY H H 1 8.349 . . . . . . . . 101 GLY H . 52913 10 186 . 1 . 1 101 101 GLY N N 15 111.044 . . . . . . . . 101 GLY N . 52913 10 187 . 1 . 1 102 102 GLN H H 1 8.084 . . . . . . . . 102 GLN H . 52913 10 188 . 1 . 1 102 102 GLN N N 15 119.497 . . . . . . . . 102 GLN N . 52913 10 189 . 1 . 1 103 103 GLN H H 1 8.404 . . . . . . . . 103 GLN H . 52913 10 190 . 1 . 1 103 103 GLN N N 15 122.623 . . . . . . . . 103 GLN N . 52913 10 191 . 1 . 1 105 105 ALA H H 1 8.361 . . . . . . . . 105 ALA H . 52913 10 192 . 1 . 1 105 105 ALA N N 15 125.486 . . . . . . . . 105 ALA N . 52913 10 193 . 1 . 1 107 107 SER H H 1 8.379 . . . . . . . . 107 SER H . 52913 10 194 . 1 . 1 107 107 SER N N 15 115.63 . . . . . . . . 107 SER N . 52913 10 195 . 1 . 1 108 108 SER H H 1 8.387 . . . . . . . . 108 SER H . 52913 10 196 . 1 . 1 108 108 SER N N 15 117.553 . . . . . . . . 108 SER N . 52913 10 197 . 1 . 1 109 109 THR H H 1 8.2 . . . . . . . . 109 THR H . 52913 10 198 . 1 . 1 109 109 THR N N 15 114.861 . . . . . . . . 109 THR N . 52913 10 199 . 1 . 1 110 110 SER H H 1 8.244 . . . . . . . . 110 SER H . 52913 10 200 . 1 . 1 110 110 SER N N 15 117.73 . . . . . . . . 110 SER N . 52913 10 201 . 1 . 1 111 111 GLY H H 1 8.352 . . . . . . . . 111 GLY H . 52913 10 202 . 1 . 1 111 111 GLY N N 15 110.7 . . . . . . . . 111 GLY N . 52913 10 203 . 1 . 1 112 112 SER H H 1 8.106 . . . . . . . . 112 SER H . 52913 10 204 . 1 . 1 112 112 SER N N 15 115.45 . . . . . . . . 112 SER N . 52913 10 205 . 1 . 1 113 113 TYR H H 1 8.254 . . . . . . . . 113 TYR H . 52913 10 206 . 1 . 1 113 113 TYR N N 15 122.225 . . . . . . . . 113 TYR N . 52913 10 207 . 1 . 1 114 114 GLY H H 1 8.29 . . . . . . . . 114 GLY H . 52913 10 208 . 1 . 1 114 114 GLY N N 15 110.602 . . . . . . . . 114 GLY N . 52913 10 209 . 1 . 1 115 115 SER H H 1 8.179 . . . . . . . . 115 SER H . 52913 10 210 . 1 . 1 115 115 SER N N 15 115.585 . . . . . . . . 115 SER N . 52913 10 211 . 1 . 1 116 116 SER H H 1 8.421 . . . . . . . . 116 SER H . 52913 10 212 . 1 . 1 116 116 SER N N 15 117.662 . . . . . . . . 116 SER N . 52913 10 213 . 1 . 1 117 117 SER H H 1 8.322 . . . . . . . . 117 SER H . 52913 10 214 . 1 . 1 117 117 SER N N 15 117.661 . . . . . . . . 117 SER N . 52913 10 215 . 1 . 1 118 118 GLN H H 1 8.325 . . . . . . . . 118 GLN H . 52913 10 216 . 1 . 1 118 118 GLN N N 15 121.821 . . . . . . . . 118 GLN N . 52913 10 217 . 1 . 1 119 119 SER H H 1 8.287 . . . . . . . . 119 SER H . 52913 10 218 . 1 . 1 119 119 SER N N 15 116.501 . . . . . . . . 119 SER N . 52913 10 219 . 1 . 1 120 120 SER H H 1 8.321 . . . . . . . . 120 SER H . 52913 10 220 . 1 . 1 120 120 SER N N 15 117.625 . . . . . . . . 120 SER N . 52913 10 221 . 1 . 1 121 121 SER H H 1 8.239 . . . . . . . . 121 SER H . 52913 10 222 . 1 . 1 121 121 SER N N 15 117.345 . . . . . . . . 121 SER N . 52913 10 223 . 1 . 1 122 122 TYR H H 1 8.081 . . . . . . . . 122 TYR H . 52913 10 224 . 1 . 1 122 122 TYR N N 15 121.864 . . . . . . . . 122 TYR N . 52913 10 225 . 1 . 1 123 123 GLY H H 1 8.219 . . . . . . . . 123 GLY H . 52913 10 226 . 1 . 1 123 123 GLY N N 15 110.578 . . . . . . . . 123 GLY N . 52913 10 227 . 1 . 1 124 124 GLN H H 1 8.064 . . . . . . . . 124 GLN H . 52913 10 228 . 1 . 1 124 124 GLN N N 15 120.438 . . . . . . . . 124 GLN N . 52913 10 229 . 1 . 1 126 126 GLN H H 1 8.549 . . . . . . . . 126 GLN H . 52913 10 230 . 1 . 1 126 126 GLN N N 15 120.624 . . . . . . . . 126 GLN N . 52913 10 231 . 1 . 1 127 127 SER H H 1 8.352 . . . . . . . . 127 SER H . 52913 10 232 . 1 . 1 127 127 SER N N 15 116.771 . . . . . . . . 127 SER N . 52913 10 233 . 1 . 1 128 128 GLY H H 1 8.414 . . . . . . . . 128 GLY H . 52913 10 234 . 1 . 1 128 128 GLY N N 15 110.743 . . . . . . . . 128 GLY N . 52913 10 235 . 1 . 1 129 129 SER H H 1 8.122 . . . . . . . . 129 SER H . 52913 10 236 . 1 . 1 129 129 SER N N 15 115.367 . . . . . . . . 129 SER N . 52913 10 237 . 1 . 1 131 131 SER H H 1 8.117 . . . . . . . . 131 SER H . 52913 10 238 . 1 . 1 131 131 SER N N 15 116.995 . . . . . . . . 131 SER N . 52913 10 239 . 1 . 1 132 132 GLN H H 1 8.236 . . . . . . . . 132 GLN H . 52913 10 240 . 1 . 1 132 132 GLN N N 15 121.832 . . . . . . . . 132 GLN N . 52913 10 241 . 1 . 1 133 133 GLN H H 1 8.307 . . . . . . . . 133 GLN H . 52913 10 242 . 1 . 1 133 133 GLN N N 15 122.396 . . . . . . . . 133 GLN N . 52913 10 243 . 1 . 1 135 135 SER H H 1 8.279 . . . . . . . . 135 SER H . 52913 10 244 . 1 . 1 135 135 SER N N 15 115.488 . . . . . . . . 135 SER N . 52913 10 245 . 1 . 1 136 136 TYR H H 1 8.187 . . . . . . . . 136 TYR H . 52913 10 246 . 1 . 1 136 136 TYR N N 15 122.044 . . . . . . . . 136 TYR N . 52913 10 247 . 1 . 1 137 137 GLY H H 1 8.346 . . . . . . . . 137 GLY H . 52913 10 248 . 1 . 1 137 137 GLY N N 15 110.728 . . . . . . . . 137 GLY N . 52913 10 249 . 1 . 1 138 138 GLY H H 1 7.95 . . . . . . . . 138 GLY H . 52913 10 250 . 1 . 1 138 138 GLY N N 15 108.256 . . . . . . . . 138 GLY N . 52913 10 251 . 1 . 1 139 139 GLN H H 1 8.269 . . . . . . . . 139 GLN H . 52913 10 252 . 1 . 1 139 139 GLN N N 15 119.662 . . . . . . . . 139 GLN N . 52913 10 253 . 1 . 1 140 140 GLN H H 1 8.464 . . . . . . . . 140 GLN H . 52913 10 254 . 1 . 1 140 140 GLN N N 15 121.394 . . . . . . . . 140 GLN N . 52913 10 255 . 1 . 1 141 141 GLN H H 1 8.402 . . . . . . . . 141 GLN H . 52913 10 256 . 1 . 1 141 141 GLN N N 15 121.384 . . . . . . . . 141 GLN N . 52913 10 257 . 1 . 1 142 142 SER H H 1 8.251 . . . . . . . . 142 SER H . 52913 10 258 . 1 . 1 142 142 SER N N 15 116.584 . . . . . . . . 142 SER N . 52913 10 259 . 1 . 1 143 143 TYR H H 1 8.221 . . . . . . . . 143 TYR H . 52913 10 260 . 1 . 1 143 143 TYR N N 15 122.078 . . . . . . . . 143 TYR N . 52913 10 261 . 1 . 1 144 144 GLY H H 1 8.312 . . . . . . . . 144 GLY H . 52913 10 262 . 1 . 1 144 144 GLY N N 15 110.197 . . . . . . . . 144 GLY N . 52913 10 263 . 1 . 1 145 145 GLN H H 1 8.171 . . . . . . . . 145 GLN H . 52913 10 264 . 1 . 1 145 145 GLN N N 15 119.7 . . . . . . . . 145 GLN N . 52913 10 265 . 1 . 1 146 146 GLN H H 1 8.444 . . . . . . . . 146 GLN H . 52913 10 266 . 1 . 1 146 146 GLN N N 15 121.292 . . . . . . . . 146 GLN N . 52913 10 267 . 1 . 1 147 147 GLN H H 1 8.412 . . . . . . . . 147 GLN H . 52913 10 268 . 1 . 1 147 147 GLN N N 15 121.36 . . . . . . . . 147 GLN N . 52913 10 269 . 1 . 1 148 148 SER H H 1 8.255 . . . . . . . . 148 SER H . 52913 10 270 . 1 . 1 148 148 SER N N 15 116.628 . . . . . . . . 148 SER N . 52913 10 271 . 1 . 1 149 149 TYR H H 1 8.187 . . . . . . . . 149 TYR H . 52913 10 272 . 1 . 1 149 149 TYR N N 15 122.331 . . . . . . . . 149 TYR N . 52913 10 273 . 1 . 1 150 150 ASN H H 1 8.212 . . . . . . . . 150 ASN H . 52913 10 274 . 1 . 1 150 150 ASN N N 15 123.076 . . . . . . . . 150 ASN N . 52913 10 275 . 1 . 1 153 153 GLN H H 1 8.443 . . . . . . . . 153 GLN H . 52913 10 276 . 1 . 1 153 153 GLN N N 15 119.969 . . . . . . . . 153 GLN N . 52913 10 277 . 1 . 1 154 154 GLY H H 1 8.342 . . . . . . . . 154 GLY H . 52913 10 278 . 1 . 1 154 154 GLY N N 15 109.954 . . . . . . . . 154 GLY N . 52913 10 279 . 1 . 1 155 155 TYR H H 1 8.107 . . . . . . . . 155 TYR H . 52913 10 280 . 1 . 1 155 155 TYR N N 15 120.023 . . . . . . . . 155 TYR N . 52913 10 281 . 1 . 1 156 156 GLY H H 1 8.391 . . . . . . . . 156 GLY H . 52913 10 282 . 1 . 1 156 156 GLY N N 15 110.822 . . . . . . . . 156 GLY N . 52913 10 283 . 1 . 1 157 157 GLN H H 1 8.171 . . . . . . . . 157 GLN H . 52913 10 284 . 1 . 1 157 157 GLN N N 15 119.659 . . . . . . . . 157 GLN N . 52913 10 285 . 1 . 1 158 158 GLN H H 1 8.467 . . . . . . . . 158 GLN H . 52913 10 286 . 1 . 1 158 158 GLN N N 15 120.972 . . . . . . . . 158 GLN N . 52913 10 287 . 1 . 1 159 159 ASN H H 1 8.434 . . . . . . . . 159 ASN H . 52913 10 288 . 1 . 1 159 159 ASN N N 15 119.493 . . . . . . . . 159 ASN N . 52913 10 289 . 1 . 1 160 160 GLN H H 1 8.29 . . . . . . . . 160 GLN H . 52913 10 290 . 1 . 1 160 160 GLN N N 15 120.113 . . . . . . . . 160 GLN N . 52913 10 291 . 1 . 1 161 161 TYR H H 1 8.191 . . . . . . . . 161 TYR H . 52913 10 292 . 1 . 1 161 161 TYR N N 15 120.435 . . . . . . . . 161 TYR N . 52913 10 293 . 1 . 1 162 162 ASN H H 1 8.274 . . . . . . . . 162 ASN H . 52913 10 294 . 1 . 1 162 162 ASN N N 15 120.454 . . . . . . . . 162 ASN N . 52913 10 295 . 1 . 1 163 163 SER H H 1 7.834 . . . . . . . . 163 SER H . 52913 10 296 . 1 . 1 163 163 SER N N 15 121.322 . . . . . . . . 163 SER N . 52913 10 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_11 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_11 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 11 _Assigned_chem_shift_list.Name '5% 1,2CHD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '2D 1H-15N HSQC' . . . 52913 11 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 11 na 'all 15N' . -0.0024771819802792 . 52913 11 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 11 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.532 . . . . . . . . 2 ALA H . 52913 11 2 . 1 . 1 2 2 ALA N N 15 125.735 . . . . . . . . 2 ALA N . 52913 11 3 . 1 . 1 3 3 SER H H 1 8.267 . . . . . . . . 3 SER H . 52913 11 4 . 1 . 1 3 3 SER N N 15 114.966 . . . . . . . . 3 SER N . 52913 11 5 . 1 . 1 4 4 ASN H H 1 8.392 . . . . . . . . 4 ASN H . 52913 11 6 . 1 . 1 4 4 ASN N N 15 120.26 . . . . . . . . 4 ASN N . 52913 11 7 . 1 . 1 5 5 ASP H H 1 8.14 . . . . . . . . 5 ASP H . 52913 11 8 . 1 . 1 5 5 ASP N N 15 120.045 . . . . . . . . 5 ASP N . 52913 11 9 . 1 . 1 6 6 TYR H H 1 8.161 . . . . . . . . 6 TYR H . 52913 11 10 . 1 . 1 6 6 TYR N N 15 120.927 . . . . . . . . 6 TYR N . 52913 11 11 . 1 . 1 7 7 THR H H 1 8.038 . . . . . . . . 7 THR H . 52913 11 12 . 1 . 1 7 7 THR N N 15 115.016 . . . . . . . . 7 THR N . 52913 11 13 . 1 . 1 8 8 GLN H H 1 8.181 . . . . . . . . 8 GLN H . 52913 11 14 . 1 . 1 8 8 GLN N N 15 121.984 . . . . . . . . 8 GLN N . 52913 11 15 . 1 . 1 9 9 GLN H H 1 8.249 . . . . . . . . 9 GLN H . 52913 11 16 . 1 . 1 9 9 GLN N N 15 120.974 . . . . . . . . 9 GLN N . 52913 11 17 . 1 . 1 10 10 ALA H H 1 8.328 . . . . . . . . 10 ALA H . 52913 11 18 . 1 . 1 10 10 ALA N N 15 124.824 . . . . . . . . 10 ALA N . 52913 11 19 . 1 . 1 11 11 THR H H 1 8.042 . . . . . . . . 11 THR H . 52913 11 20 . 1 . 1 11 11 THR N N 15 112.864 . . . . . . . . 11 THR N . 52913 11 21 . 1 . 1 12 12 GLN H H 1 8.269 . . . . . . . . 12 GLN H . 52913 11 22 . 1 . 1 12 12 GLN N N 15 122.175 . . . . . . . . 12 GLN N . 52913 11 23 . 1 . 1 13 13 SER H H 1 8.225 . . . . . . . . 13 SER H . 52913 11 24 . 1 . 1 13 13 SER N N 15 116.685 . . . . . . . . 13 SER N . 52913 11 25 . 1 . 1 14 14 TYR H H 1 8.182 . . . . . . . . 14 TYR H . 52913 11 26 . 1 . 1 14 14 TYR N N 15 122.035 . . . . . . . . 14 TYR N . 52913 11 27 . 1 . 1 15 15 GLY H H 1 8.208 . . . . . . . . 15 GLY H . 52913 11 28 . 1 . 1 15 15 GLY N N 15 110.294 . . . . . . . . 15 GLY N . 52913 11 29 . 1 . 1 16 16 ALA H H 1 7.923 . . . . . . . . 16 ALA H . 52913 11 30 . 1 . 1 16 16 ALA N N 15 123.227 . . . . . . . . 16 ALA N . 52913 11 31 . 1 . 1 17 17 TYR H H 1 8.04 . . . . . . . . 17 TYR H . 52913 11 32 . 1 . 1 17 17 TYR N N 15 120.092 . . . . . . . . 17 TYR N . 52913 11 33 . 1 . 1 19 19 THR H H 1 8.113 . . . . . . . . 19 THR H . 52913 11 34 . 1 . 1 19 19 THR N N 15 114.047 . . . . . . . . 19 THR N . 52913 11 35 . 1 . 1 20 20 GLN H H 1 8.276 . . . . . . . . 20 GLN H . 52913 11 36 . 1 . 1 20 20 GLN N N 15 123.136 . . . . . . . . 20 GLN N . 52913 11 37 . 1 . 1 22 22 GLY H H 1 8.484 . . . . . . . . 22 GLY H . 52913 11 38 . 1 . 1 22 22 GLY N N 15 109.479 . . . . . . . . 22 GLY N . 52913 11 39 . 1 . 1 23 23 GLN H H 1 8.144 . . . . . . . . 23 GLN H . 52913 11 40 . 1 . 1 23 23 GLN N N 15 119.381 . . . . . . . . 23 GLN N . 52913 11 41 . 1 . 1 24 24 GLY H H 1 8.414 . . . . . . . . 24 GLY H . 52913 11 42 . 1 . 1 24 24 GLY N N 15 109.699 . . . . . . . . 24 GLY N . 52913 11 43 . 1 . 1 25 25 TYR H H 1 8.038 . . . . . . . . 25 TYR H . 52913 11 44 . 1 . 1 25 25 TYR N N 15 120.062 . . . . . . . . 25 TYR N . 52913 11 45 . 1 . 1 26 26 SER H H 1 8.215 . . . . . . . . 26 SER H . 52913 11 46 . 1 . 1 26 26 SER N N 15 117.459 . . . . . . . . 26 SER N . 52913 11 47 . 1 . 1 27 27 GLN H H 1 8.352 . . . . . . . . 27 GLN H . 52913 11 48 . 1 . 1 27 27 GLN N N 15 122.17 . . . . . . . . 27 GLN N . 52913 11 49 . 1 . 1 28 28 GLN H H 1 8.35 . . . . . . . . 28 GLN H . 52913 11 50 . 1 . 1 28 28 GLN N N 15 120.968 . . . . . . . . 28 GLN N . 52913 11 51 . 1 . 1 29 29 SER H H 1 8.287 . . . . . . . . 29 SER H . 52913 11 52 . 1 . 1 29 29 SER N N 15 116.52 . . . . . . . . 29 SER N . 52913 11 53 . 1 . 1 30 30 SER H H 1 8.284 . . . . . . . . 30 SER H . 52913 11 54 . 1 . 1 30 30 SER N N 15 117.422 . . . . . . . . 30 SER N . 52913 11 55 . 1 . 1 31 31 GLN H H 1 8.217 . . . . . . . . 31 GLN H . 52913 11 56 . 1 . 1 31 31 GLN N N 15 122.264 . . . . . . . . 31 GLN N . 52913 11 57 . 1 . 1 33 33 TYR H H 1 8.141 . . . . . . . . 33 TYR H . 52913 11 58 . 1 . 1 33 33 TYR N N 15 119.896 . . . . . . . . 33 TYR N . 52913 11 59 . 1 . 1 34 34 GLY H H 1 8.196 . . . . . . . . 34 GLY H . 52913 11 60 . 1 . 1 34 34 GLY N N 15 110.497 . . . . . . . . 34 GLY N . 52913 11 61 . 1 . 1 35 35 GLN H H 1 8.135 . . . . . . . . 35 GLN H . 52913 11 62 . 1 . 1 35 35 GLN N N 15 119.655 . . . . . . . . 35 GLN N . 52913 11 63 . 1 . 1 36 36 GLN H H 1 8.42 . . . . . . . . 36 GLN H . 52913 11 64 . 1 . 1 36 36 GLN N N 15 121.239 . . . . . . . . 36 GLN N . 52913 11 65 . 1 . 1 37 37 SER H H 1 8.242 . . . . . . . . 37 SER H . 52913 11 66 . 1 . 1 37 37 SER N N 15 116.502 . . . . . . . . 37 SER N . 52913 11 67 . 1 . 1 38 38 TYR H H 1 8.214 . . . . . . . . 38 TYR H . 52913 11 68 . 1 . 1 38 38 TYR N N 15 122.199 . . . . . . . . 38 TYR N . 52913 11 69 . 1 . 1 39 39 SER H H 1 8.239 . . . . . . . . 39 SER H . 52913 11 70 . 1 . 1 39 39 SER N N 15 117.737 . . . . . . . . 39 SER N . 52913 11 71 . 1 . 1 40 40 GLY H H 1 7.816 . . . . . . . . 40 GLY H . 52913 11 72 . 1 . 1 40 40 GLY N N 15 110.074 . . . . . . . . 40 GLY N . 52913 11 73 . 1 . 1 41 41 TYR H H 1 7.958 . . . . . . . . 41 TYR H . 52913 11 74 . 1 . 1 41 41 TYR N N 15 119.908 . . . . . . . . 41 TYR N . 52913 11 75 . 1 . 1 42 42 SER H H 1 8.175 . . . . . . . . 42 SER H . 52913 11 76 . 1 . 1 42 42 SER N N 15 117.68 . . . . . . . . 42 SER N . 52913 11 77 . 1 . 1 43 43 GLN H H 1 8.332 . . . . . . . . 43 GLN H . 52913 11 78 . 1 . 1 43 43 GLN N N 15 122.192 . . . . . . . . 43 GLN N . 52913 11 79 . 1 . 1 44 44 SER H H 1 8.331 . . . . . . . . 44 SER H . 52913 11 80 . 1 . 1 44 44 SER N N 15 116.632 . . . . . . . . 44 SER N . 52913 11 81 . 1 . 1 45 45 THR H H 1 8.151 . . . . . . . . 45 THR H . 52913 11 82 . 1 . 1 45 45 THR N N 15 115.277 . . . . . . . . 45 THR N . 52913 11 83 . 1 . 1 46 46 ASP H H 1 8.311 . . . . . . . . 46 ASP H . 52913 11 84 . 1 . 1 46 46 ASP N N 15 122.619 . . . . . . . . 46 ASP N . 52913 11 85 . 1 . 1 47 47 THR H H 1 8.192 . . . . . . . . 47 THR H . 52913 11 86 . 1 . 1 47 47 THR N N 15 114.45 . . . . . . . . 47 THR N . 52913 11 87 . 1 . 1 48 48 SER H H 1 8.357 . . . . . . . . 48 SER H . 52913 11 88 . 1 . 1 48 48 SER N N 15 118.164 . . . . . . . . 48 SER N . 52913 11 89 . 1 . 1 49 49 GLY H H 1 8.31 . . . . . . . . 49 GLY H . 52913 11 90 . 1 . 1 49 49 GLY N N 15 110.251 . . . . . . . . 49 GLY N . 52913 11 91 . 1 . 1 50 50 TYR H H 1 8.037 . . . . . . . . 50 TYR H . 52913 11 92 . 1 . 1 50 50 TYR N N 15 120.035 . . . . . . . . 50 TYR N . 52913 11 93 . 1 . 1 51 51 GLY H H 1 8.35 . . . . . . . . 51 GLY H . 52913 11 94 . 1 . 1 51 51 GLY N N 15 110.638 . . . . . . . . 51 GLY N . 52913 11 95 . 1 . 1 52 52 GLN H H 1 8.135 . . . . . . . . 52 GLN H . 52913 11 96 . 1 . 1 52 52 GLN N N 15 119.693 . . . . . . . . 52 GLN N . 52913 11 97 . 1 . 1 53 53 SER H H 1 8.375 . . . . . . . . 53 SER H . 52913 11 98 . 1 . 1 53 53 SER N N 15 116.623 . . . . . . . . 53 SER N . 52913 11 99 . 1 . 1 54 54 SER H H 1 8.259 . . . . . . . . 54 SER H . 52913 11 100 . 1 . 1 54 54 SER N N 15 117.368 . . . . . . . . 54 SER N . 52913 11 101 . 1 . 1 55 55 TYR H H 1 8.106 . . . . . . . . 55 TYR H . 52913 11 102 . 1 . 1 55 55 TYR N N 15 121.706 . . . . . . . . 55 TYR N . 52913 11 103 . 1 . 1 56 56 SER H H 1 8.078 . . . . . . . . 56 SER H . 52913 11 104 . 1 . 1 56 56 SER N N 15 116.84 . . . . . . . . 56 SER N . 52913 11 105 . 1 . 1 57 57 SER H H 1 8.177 . . . . . . . . 57 SER H . 52913 11 106 . 1 . 1 57 57 SER N N 15 117.63 . . . . . . . . 57 SER N . 52913 11 107 . 1 . 1 58 58 TYR H H 1 8.101 . . . . . . . . 58 TYR H . 52913 11 108 . 1 . 1 58 58 TYR N N 15 121.744 . . . . . . . . 58 TYR N . 52913 11 109 . 1 . 1 59 59 GLY H H 1 8.24 . . . . . . . . 59 GLY H . 52913 11 110 . 1 . 1 59 59 GLY N N 15 110.345 . . . . . . . . 59 GLY N . 52913 11 111 . 1 . 1 60 60 GLN H H 1 8.098 . . . . . . . . 60 GLN H . 52913 11 112 . 1 . 1 60 60 GLN N N 15 119.567 . . . . . . . . 60 GLN N . 52913 11 113 . 1 . 1 61 61 SER H H 1 8.338 . . . . . . . . 61 SER H . 52913 11 114 . 1 . 1 61 61 SER N N 15 116.666 . . . . . . . . 61 SER N . 52913 11 115 . 1 . 1 62 62 GLN H H 1 8.391 . . . . . . . . 62 GLN H . 52913 11 116 . 1 . 1 62 62 GLN N N 15 121.51 . . . . . . . . 62 GLN N . 52913 11 117 . 1 . 1 63 63 ASN H H 1 8.425 . . . . . . . . 63 ASN H . 52913 11 118 . 1 . 1 63 63 ASN N N 15 119.534 . . . . . . . . 63 ASN N . 52913 11 119 . 1 . 1 64 64 THR H H 1 8.1 . . . . . . . . 64 THR H . 52913 11 120 . 1 . 1 64 64 THR N N 15 113.656 . . . . . . . . 64 THR N . 52913 11 121 . 1 . 1 65 65 GLY H H 1 8.319 . . . . . . . . 65 GLY H . 52913 11 122 . 1 . 1 65 65 GLY N N 15 110.464 . . . . . . . . 65 GLY N . 52913 11 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 11 124 . 1 . 1 67 67 GLY N N 15 110.691 . . . . . . . . 67 GLY N . 52913 11 125 . 1 . 1 68 68 THR H H 1 8.03 . . . . . . . . 68 THR H . 52913 11 126 . 1 . 1 68 68 THR N N 15 113.39 . . . . . . . . 68 THR N . 52913 11 127 . 1 . 1 69 69 GLN H H 1 8.435 . . . . . . . . 69 GLN H . 52913 11 128 . 1 . 1 69 69 GLN N N 15 122.253 . . . . . . . . 69 GLN N . 52913 11 129 . 1 . 1 70 70 SER H H 1 8.328 . . . . . . . . 70 SER H . 52913 11 130 . 1 . 1 70 70 SER N N 15 117.001 . . . . . . . . 70 SER N . 52913 11 131 . 1 . 1 71 71 THR H H 1 8.12 . . . . . . . . 71 THR H . 52913 11 132 . 1 . 1 71 71 THR N N 15 117.47 . . . . . . . . 71 THR N . 52913 11 133 . 1 . 1 73 73 GLN H H 1 8.419 . . . . . . . . 73 GLN H . 52913 11 134 . 1 . 1 73 73 GLN N N 15 120.302 . . . . . . . . 73 GLN N . 52913 11 135 . 1 . 1 74 74 GLY H H 1 8.308 . . . . . . . . 74 GLY H . 52913 11 136 . 1 . 1 74 74 GLY N N 15 109.796 . . . . . . . . 74 GLY N . 52913 11 137 . 1 . 1 75 75 TYR H H 1 8.072 . . . . . . . . 75 TYR H . 52913 11 138 . 1 . 1 75 75 TYR N N 15 120.167 . . . . . . . . 75 TYR N . 52913 11 139 . 1 . 1 76 76 GLY H H 1 8.36 . . . . . . . . 76 GLY H . 52913 11 140 . 1 . 1 76 76 GLY N N 15 110.762 . . . . . . . . 76 GLY N . 52913 11 141 . 1 . 1 77 77 SER H H 1 8.179 . . . . . . . . 77 SER H . 52913 11 142 . 1 . 1 77 77 SER N N 15 115.571 . . . . . . . . 77 SER N . 52913 11 143 . 1 . 1 78 78 THR H H 1 8.213 . . . . . . . . 78 THR H . 52913 11 144 . 1 . 1 78 78 THR N N 15 114.788 . . . . . . . . 78 THR N . 52913 11 145 . 1 . 1 79 79 GLY H H 1 8.316 . . . . . . . . 79 GLY H . 52913 11 146 . 1 . 1 79 79 GLY N N 15 110.67 . . . . . . . . 79 GLY N . 52913 11 147 . 1 . 1 80 80 GLY H H 1 8.149 . . . . . . . . 80 GLY H . 52913 11 148 . 1 . 1 80 80 GLY N N 15 108.317 . . . . . . . . 80 GLY N . 52913 11 149 . 1 . 1 81 81 TYR H H 1 8.127 . . . . . . . . 81 TYR H . 52913 11 150 . 1 . 1 81 81 TYR N N 15 120.145 . . . . . . . . 81 TYR N . 52913 11 151 . 1 . 1 82 82 GLY H H 1 8.369 . . . . . . . . 82 GLY H . 52913 11 152 . 1 . 1 82 82 GLY N N 15 110.838 . . . . . . . . 82 GLY N . 52913 11 153 . 1 . 1 83 83 SER H H 1 8.144 . . . . . . . . 83 SER H . 52913 11 154 . 1 . 1 83 83 SER N N 15 115.504 . . . . . . . . 83 SER N . 52913 11 155 . 1 . 1 84 84 SER H H 1 8.408 . . . . . . . . 84 SER H . 52913 11 156 . 1 . 1 84 84 SER N N 15 117.619 . . . . . . . . 84 SER N . 52913 11 157 . 1 . 1 85 85 GLN H H 1 8.375 . . . . . . . . 85 GLN H . 52913 11 158 . 1 . 1 85 85 GLN N N 15 121.798 . . . . . . . . 85 GLN N . 52913 11 159 . 1 . 1 86 86 SER H H 1 8.283 . . . . . . . . 86 SER H . 52913 11 160 . 1 . 1 86 86 SER N N 15 116.413 . . . . . . . . 86 SER N . 52913 11 161 . 1 . 1 87 87 SER H H 1 8.321 . . . . . . . . 87 SER H . 52913 11 162 . 1 . 1 87 87 SER N N 15 117.461 . . . . . . . . 87 SER N . 52913 11 163 . 1 . 1 88 88 GLN H H 1 8.326 . . . . . . . . 88 GLN H . 52913 11 164 . 1 . 1 88 88 GLN N N 15 121.725 . . . . . . . . 88 GLN N . 52913 11 165 . 1 . 1 89 89 SER H H 1 8.265 . . . . . . . . 89 SER H . 52913 11 166 . 1 . 1 89 89 SER N N 15 116.412 . . . . . . . . 89 SER N . 52913 11 167 . 1 . 1 90 90 SER H H 1 8.225 . . . . . . . . 90 SER H . 52913 11 168 . 1 . 1 90 90 SER N N 15 117.435 . . . . . . . . 90 SER N . 52913 11 169 . 1 . 1 91 91 TYR H H 1 8.129 . . . . . . . . 91 TYR H . 52913 11 170 . 1 . 1 91 91 TYR N N 15 121.784 . . . . . . . . 91 TYR N . 52913 11 171 . 1 . 1 92 92 GLY H H 1 8.24 . . . . . . . . 92 GLY H . 52913 11 172 . 1 . 1 92 92 GLY N N 15 110.287 . . . . . . . . 92 GLY N . 52913 11 173 . 1 . 1 93 93 GLN H H 1 8.139 . . . . . . . . 93 GLN H . 52913 11 174 . 1 . 1 93 93 GLN N N 15 119.648 . . . . . . . . 93 GLN N . 52913 11 175 . 1 . 1 95 95 SER H H 1 8.289 . . . . . . . . 95 SER H . 52913 11 176 . 1 . 1 95 95 SER N N 15 116.485 . . . . . . . . 95 SER N . 52913 11 177 . 1 . 1 96 96 SER H H 1 8.137 . . . . . . . . 96 SER H . 52913 11 178 . 1 . 1 96 96 SER N N 15 117.006 . . . . . . . . 96 SER N . 52913 11 179 . 1 . 1 97 97 TYR H H 1 8.082 . . . . . . . . 97 TYR H . 52913 11 180 . 1 . 1 97 97 TYR N N 15 122.691 . . . . . . . . 97 TYR N . 52913 11 181 . 1 . 1 99 99 GLY H H 1 7.917 . . . . . . . . 99 GLY H . 52913 11 182 . 1 . 1 99 99 GLY N N 15 108.587 . . . . . . . . 99 GLY N . 52913 11 183 . 1 . 1 100 100 TYR H H 1 7.919 . . . . . . . . 100 TYR H . 52913 11 184 . 1 . 1 100 100 TYR N N 15 120.022 . . . . . . . . 100 TYR N . 52913 11 185 . 1 . 1 101 101 GLY H H 1 8.346 . . . . . . . . 101 GLY H . 52913 11 186 . 1 . 1 101 101 GLY N N 15 111.009 . . . . . . . . 101 GLY N . 52913 11 187 . 1 . 1 102 102 GLN H H 1 8.078 . . . . . . . . 102 GLN H . 52913 11 188 . 1 . 1 102 102 GLN N N 15 119.495 . . . . . . . . 102 GLN N . 52913 11 189 . 1 . 1 103 103 GLN H H 1 8.398 . . . . . . . . 103 GLN H . 52913 11 190 . 1 . 1 103 103 GLN N N 15 122.606 . . . . . . . . 103 GLN N . 52913 11 191 . 1 . 1 105 105 ALA H H 1 8.354 . . . . . . . . 105 ALA H . 52913 11 192 . 1 . 1 105 105 ALA N N 15 125.444 . . . . . . . . 105 ALA N . 52913 11 193 . 1 . 1 107 107 SER H H 1 8.372 . . . . . . . . 107 SER H . 52913 11 194 . 1 . 1 107 107 SER N N 15 115.597 . . . . . . . . 107 SER N . 52913 11 195 . 1 . 1 108 108 SER H H 1 8.381 . . . . . . . . 108 SER H . 52913 11 196 . 1 . 1 108 108 SER N N 15 117.536 . . . . . . . . 108 SER N . 52913 11 197 . 1 . 1 109 109 THR H H 1 8.189 . . . . . . . . 109 THR H . 52913 11 198 . 1 . 1 109 109 THR N N 15 114.823 . . . . . . . . 109 THR N . 52913 11 199 . 1 . 1 110 110 SER H H 1 8.237 . . . . . . . . 110 SER H . 52913 11 200 . 1 . 1 110 110 SER N N 15 117.702 . . . . . . . . 110 SER N . 52913 11 201 . 1 . 1 111 111 GLY H H 1 8.35 . . . . . . . . 111 GLY H . 52913 11 202 . 1 . 1 111 111 GLY N N 15 110.675 . . . . . . . . 111 GLY N . 52913 11 203 . 1 . 1 112 112 SER H H 1 8.101 . . . . . . . . 112 SER H . 52913 11 204 . 1 . 1 112 112 SER N N 15 115.433 . . . . . . . . 112 SER N . 52913 11 205 . 1 . 1 113 113 TYR H H 1 8.249 . . . . . . . . 113 TYR H . 52913 11 206 . 1 . 1 113 113 TYR N N 15 122.201 . . . . . . . . 113 TYR N . 52913 11 207 . 1 . 1 114 114 GLY H H 1 8.285 . . . . . . . . 114 GLY H . 52913 11 208 . 1 . 1 114 114 GLY N N 15 110.584 . . . . . . . . 114 GLY N . 52913 11 209 . 1 . 1 115 115 SER H H 1 8.171 . . . . . . . . 115 SER H . 52913 11 210 . 1 . 1 115 115 SER N N 15 115.562 . . . . . . . . 115 SER N . 52913 11 211 . 1 . 1 116 116 SER H H 1 8.415 . . . . . . . . 116 SER H . 52913 11 212 . 1 . 1 116 116 SER N N 15 117.665 . . . . . . . . 116 SER N . 52913 11 213 . 1 . 1 117 117 SER H H 1 8.315 . . . . . . . . 117 SER H . 52913 11 214 . 1 . 1 117 117 SER N N 15 117.623 . . . . . . . . 117 SER N . 52913 11 215 . 1 . 1 118 118 GLN H H 1 8.318 . . . . . . . . 118 GLN H . 52913 11 216 . 1 . 1 118 118 GLN N N 15 121.776 . . . . . . . . 118 GLN N . 52913 11 217 . 1 . 1 119 119 SER H H 1 8.282 . . . . . . . . 119 SER H . 52913 11 218 . 1 . 1 119 119 SER N N 15 116.474 . . . . . . . . 119 SER N . 52913 11 219 . 1 . 1 120 120 SER H H 1 8.316 . . . . . . . . 120 SER H . 52913 11 220 . 1 . 1 120 120 SER N N 15 117.598 . . . . . . . . 120 SER N . 52913 11 221 . 1 . 1 121 121 SER H H 1 8.231 . . . . . . . . 121 SER H . 52913 11 222 . 1 . 1 121 121 SER N N 15 117.342 . . . . . . . . 121 SER N . 52913 11 223 . 1 . 1 122 122 TYR H H 1 8.075 . . . . . . . . 122 TYR H . 52913 11 224 . 1 . 1 122 122 TYR N N 15 121.841 . . . . . . . . 122 TYR N . 52913 11 225 . 1 . 1 123 123 GLY H H 1 8.217 . . . . . . . . 123 GLY H . 52913 11 226 . 1 . 1 123 123 GLY N N 15 110.555 . . . . . . . . 123 GLY N . 52913 11 227 . 1 . 1 124 124 GLN H H 1 8.057 . . . . . . . . 124 GLN H . 52913 11 228 . 1 . 1 124 124 GLN N N 15 120.423 . . . . . . . . 124 GLN N . 52913 11 229 . 1 . 1 126 126 GLN H H 1 8.543 . . . . . . . . 126 GLN H . 52913 11 230 . 1 . 1 126 126 GLN N N 15 120.594 . . . . . . . . 126 GLN N . 52913 11 231 . 1 . 1 127 127 SER H H 1 8.344 . . . . . . . . 127 SER H . 52913 11 232 . 1 . 1 127 127 SER N N 15 116.718 . . . . . . . . 127 SER N . 52913 11 233 . 1 . 1 128 128 GLY H H 1 8.407 . . . . . . . . 128 GLY H . 52913 11 234 . 1 . 1 128 128 GLY N N 15 110.72 . . . . . . . . 128 GLY N . 52913 11 235 . 1 . 1 129 129 SER H H 1 8.114 . . . . . . . . 129 SER H . 52913 11 236 . 1 . 1 129 129 SER N N 15 115.373 . . . . . . . . 129 SER N . 52913 11 237 . 1 . 1 131 131 SER H H 1 8.108 . . . . . . . . 131 SER H . 52913 11 238 . 1 . 1 131 131 SER N N 15 116.948 . . . . . . . . 131 SER N . 52913 11 239 . 1 . 1 132 132 GLN H H 1 8.231 . . . . . . . . 132 GLN H . 52913 11 240 . 1 . 1 132 132 GLN N N 15 121.81 . . . . . . . . 132 GLN N . 52913 11 241 . 1 . 1 133 133 GLN H H 1 8.299 . . . . . . . . 133 GLN H . 52913 11 242 . 1 . 1 133 133 GLN N N 15 122.375 . . . . . . . . 133 GLN N . 52913 11 243 . 1 . 1 135 135 SER H H 1 8.272 . . . . . . . . 135 SER H . 52913 11 244 . 1 . 1 135 135 SER N N 15 115.456 . . . . . . . . 135 SER N . 52913 11 245 . 1 . 1 136 136 TYR H H 1 8.181 . . . . . . . . 136 TYR H . 52913 11 246 . 1 . 1 136 136 TYR N N 15 122.012 . . . . . . . . 136 TYR N . 52913 11 247 . 1 . 1 137 137 GLY H H 1 8.34 . . . . . . . . 137 GLY H . 52913 11 248 . 1 . 1 137 137 GLY N N 15 110.717 . . . . . . . . 137 GLY N . 52913 11 249 . 1 . 1 138 138 GLY H H 1 7.947 . . . . . . . . 138 GLY H . 52913 11 250 . 1 . 1 138 138 GLY N N 15 108.248 . . . . . . . . 138 GLY N . 52913 11 251 . 1 . 1 139 139 GLN H H 1 8.265 . . . . . . . . 139 GLN H . 52913 11 252 . 1 . 1 139 139 GLN N N 15 119.647 . . . . . . . . 139 GLN N . 52913 11 253 . 1 . 1 140 140 GLN H H 1 8.46 . . . . . . . . 140 GLN H . 52913 11 254 . 1 . 1 140 140 GLN N N 15 121.375 . . . . . . . . 140 GLN N . 52913 11 255 . 1 . 1 141 141 GLN H H 1 8.392 . . . . . . . . 141 GLN H . 52913 11 256 . 1 . 1 141 141 GLN N N 15 121.359 . . . . . . . . 141 GLN N . 52913 11 257 . 1 . 1 142 142 SER H H 1 8.245 . . . . . . . . 142 SER H . 52913 11 258 . 1 . 1 142 142 SER N N 15 116.55 . . . . . . . . 142 SER N . 52913 11 259 . 1 . 1 143 143 TYR H H 1 8.218 . . . . . . . . 143 TYR H . 52913 11 260 . 1 . 1 143 143 TYR N N 15 122.075 . . . . . . . . 143 TYR N . 52913 11 261 . 1 . 1 144 144 GLY H H 1 8.308 . . . . . . . . 144 GLY H . 52913 11 262 . 1 . 1 144 144 GLY N N 15 110.189 . . . . . . . . 144 GLY N . 52913 11 263 . 1 . 1 145 145 GLN H H 1 8.168 . . . . . . . . 145 GLN H . 52913 11 264 . 1 . 1 145 145 GLN N N 15 119.689 . . . . . . . . 145 GLN N . 52913 11 265 . 1 . 1 146 146 GLN H H 1 8.44 . . . . . . . . 146 GLN H . 52913 11 266 . 1 . 1 146 146 GLN N N 15 121.271 . . . . . . . . 146 GLN N . 52913 11 267 . 1 . 1 147 147 GLN H H 1 8.41 . . . . . . . . 147 GLN H . 52913 11 268 . 1 . 1 147 147 GLN N N 15 121.298 . . . . . . . . 147 GLN N . 52913 11 269 . 1 . 1 148 148 SER H H 1 8.247 . . . . . . . . 148 SER H . 52913 11 270 . 1 . 1 148 148 SER N N 15 116.599 . . . . . . . . 148 SER N . 52913 11 271 . 1 . 1 149 149 TYR H H 1 8.184 . . . . . . . . 149 TYR H . 52913 11 272 . 1 . 1 149 149 TYR N N 15 122.308 . . . . . . . . 149 TYR N . 52913 11 273 . 1 . 1 150 150 ASN H H 1 8.204 . . . . . . . . 150 ASN H . 52913 11 274 . 1 . 1 150 150 ASN N N 15 123.033 . . . . . . . . 150 ASN N . 52913 11 275 . 1 . 1 153 153 GLN H H 1 8.436 . . . . . . . . 153 GLN H . 52913 11 276 . 1 . 1 153 153 GLN N N 15 119.946 . . . . . . . . 153 GLN N . 52913 11 277 . 1 . 1 154 154 GLY H H 1 8.338 . . . . . . . . 154 GLY H . 52913 11 278 . 1 . 1 154 154 GLY N N 15 109.899 . . . . . . . . 154 GLY N . 52913 11 279 . 1 . 1 155 155 TYR H H 1 8.104 . . . . . . . . 155 TYR H . 52913 11 280 . 1 . 1 155 155 TYR N N 15 119.986 . . . . . . . . 155 TYR N . 52913 11 281 . 1 . 1 156 156 GLY H H 1 8.388 . . . . . . . . 156 GLY H . 52913 11 282 . 1 . 1 156 156 GLY N N 15 110.787 . . . . . . . . 156 GLY N . 52913 11 283 . 1 . 1 157 157 GLN H H 1 8.166 . . . . . . . . 157 GLN H . 52913 11 284 . 1 . 1 157 157 GLN N N 15 119.651 . . . . . . . . 157 GLN N . 52913 11 285 . 1 . 1 158 158 GLN H H 1 8.462 . . . . . . . . 158 GLN H . 52913 11 286 . 1 . 1 158 158 GLN N N 15 120.94 . . . . . . . . 158 GLN N . 52913 11 287 . 1 . 1 159 159 ASN H H 1 8.43 . . . . . . . . 159 ASN H . 52913 11 288 . 1 . 1 159 159 ASN N N 15 119.458 . . . . . . . . 159 ASN N . 52913 11 289 . 1 . 1 160 160 GLN H H 1 8.285 . . . . . . . . 160 GLN H . 52913 11 290 . 1 . 1 160 160 GLN N N 15 120.07 . . . . . . . . 160 GLN N . 52913 11 291 . 1 . 1 161 161 TYR H H 1 8.183 . . . . . . . . 161 TYR H . 52913 11 292 . 1 . 1 161 161 TYR N N 15 120.381 . . . . . . . . 161 TYR N . 52913 11 293 . 1 . 1 162 162 ASN H H 1 8.264 . . . . . . . . 162 ASN H . 52913 11 294 . 1 . 1 162 162 ASN N N 15 120.412 . . . . . . . . 162 ASN N . 52913 11 295 . 1 . 1 163 163 SER H H 1 7.824 . . . . . . . . 163 SER H . 52913 11 296 . 1 . 1 163 163 SER N N 15 121.293 . . . . . . . . 163 SER N . 52913 11 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_12 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_12 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 12 _Assigned_chem_shift_list.Name '5% 2,5HD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 12 '2D 1H-15N HSQC' . . . 52913 12 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 12 na 'all 15N' . -0.0024771819802792 . 52913 12 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 12 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.528 . . . . . . . . 2 ALA H . 52913 12 2 . 1 . 1 2 2 ALA N N 15 125.738 . . . . . . . . 2 ALA N . 52913 12 3 . 1 . 1 3 3 SER H H 1 8.264 . . . . . . . . 3 SER H . 52913 12 4 . 1 . 1 3 3 SER N N 15 114.967 . . . . . . . . 3 SER N . 52913 12 5 . 1 . 1 4 4 ASN H H 1 8.386 . . . . . . . . 4 ASN H . 52913 12 6 . 1 . 1 4 4 ASN N N 15 120.258 . . . . . . . . 4 ASN N . 52913 12 7 . 1 . 1 5 5 ASP H H 1 8.135 . . . . . . . . 5 ASP H . 52913 12 8 . 1 . 1 5 5 ASP N N 15 120.039 . . . . . . . . 5 ASP N . 52913 12 9 . 1 . 1 6 6 TYR H H 1 8.158 . . . . . . . . 6 TYR H . 52913 12 10 . 1 . 1 6 6 TYR N N 15 120.932 . . . . . . . . 6 TYR N . 52913 12 11 . 1 . 1 7 7 THR H H 1 8.033 . . . . . . . . 7 THR H . 52913 12 12 . 1 . 1 7 7 THR N N 15 115.033 . . . . . . . . 7 THR N . 52913 12 13 . 1 . 1 8 8 GLN H H 1 8.18 . . . . . . . . 8 GLN H . 52913 12 14 . 1 . 1 8 8 GLN N N 15 121.999 . . . . . . . . 8 GLN N . 52913 12 15 . 1 . 1 9 9 GLN H H 1 8.246 . . . . . . . . 9 GLN H . 52913 12 16 . 1 . 1 9 9 GLN N N 15 120.989 . . . . . . . . 9 GLN N . 52913 12 17 . 1 . 1 10 10 ALA H H 1 8.324 . . . . . . . . 10 ALA H . 52913 12 18 . 1 . 1 10 10 ALA N N 15 124.837 . . . . . . . . 10 ALA N . 52913 12 19 . 1 . 1 11 11 THR H H 1 8.038 . . . . . . . . 11 THR H . 52913 12 20 . 1 . 1 11 11 THR N N 15 112.872 . . . . . . . . 11 THR N . 52913 12 21 . 1 . 1 12 12 GLN H H 1 8.264 . . . . . . . . 12 GLN H . 52913 12 22 . 1 . 1 12 12 GLN N N 15 122.194 . . . . . . . . 12 GLN N . 52913 12 23 . 1 . 1 13 13 SER H H 1 8.222 . . . . . . . . 13 SER H . 52913 12 24 . 1 . 1 13 13 SER N N 15 116.694 . . . . . . . . 13 SER N . 52913 12 25 . 1 . 1 14 14 TYR H H 1 8.176 . . . . . . . . 14 TYR H . 52913 12 26 . 1 . 1 14 14 TYR N N 15 122.03 . . . . . . . . 14 TYR N . 52913 12 27 . 1 . 1 15 15 GLY H H 1 8.201 . . . . . . . . 15 GLY H . 52913 12 28 . 1 . 1 15 15 GLY N N 15 110.3 . . . . . . . . 15 GLY N . 52913 12 29 . 1 . 1 16 16 ALA H H 1 7.919 . . . . . . . . 16 ALA H . 52913 12 30 . 1 . 1 16 16 ALA N N 15 123.235 . . . . . . . . 16 ALA N . 52913 12 31 . 1 . 1 17 17 TYR H H 1 8.037 . . . . . . . . 17 TYR H . 52913 12 32 . 1 . 1 17 17 TYR N N 15 120.079 . . . . . . . . 17 TYR N . 52913 12 33 . 1 . 1 19 19 THR H H 1 8.108 . . . . . . . . 19 THR H . 52913 12 34 . 1 . 1 19 19 THR N N 15 114.074 . . . . . . . . 19 THR N . 52913 12 35 . 1 . 1 20 20 GLN H H 1 8.272 . . . . . . . . 20 GLN H . 52913 12 36 . 1 . 1 20 20 GLN N N 15 123.153 . . . . . . . . 20 GLN N . 52913 12 37 . 1 . 1 22 22 GLY H H 1 8.481 . . . . . . . . 22 GLY H . 52913 12 38 . 1 . 1 22 22 GLY N N 15 109.476 . . . . . . . . 22 GLY N . 52913 12 39 . 1 . 1 23 23 GLN H H 1 8.137 . . . . . . . . 23 GLN H . 52913 12 40 . 1 . 1 23 23 GLN N N 15 119.383 . . . . . . . . 23 GLN N . 52913 12 41 . 1 . 1 24 24 GLY H H 1 8.408 . . . . . . . . 24 GLY H . 52913 12 42 . 1 . 1 24 24 GLY N N 15 109.693 . . . . . . . . 24 GLY N . 52913 12 43 . 1 . 1 25 25 TYR H H 1 8.033 . . . . . . . . 25 TYR H . 52913 12 44 . 1 . 1 25 25 TYR N N 15 120.049 . . . . . . . . 25 TYR N . 52913 12 45 . 1 . 1 26 26 SER H H 1 8.213 . . . . . . . . 26 SER H . 52913 12 46 . 1 . 1 26 26 SER N N 15 117.456 . . . . . . . . 26 SER N . 52913 12 47 . 1 . 1 27 27 GLN H H 1 8.346 . . . . . . . . 27 GLN H . 52913 12 48 . 1 . 1 27 27 GLN N N 15 122.169 . . . . . . . . 27 GLN N . 52913 12 49 . 1 . 1 28 28 GLN H H 1 8.347 . . . . . . . . 28 GLN H . 52913 12 50 . 1 . 1 28 28 GLN N N 15 120.967 . . . . . . . . 28 GLN N . 52913 12 51 . 1 . 1 29 29 SER H H 1 8.282 . . . . . . . . 29 SER H . 52913 12 52 . 1 . 1 29 29 SER N N 15 116.52 . . . . . . . . 29 SER N . 52913 12 53 . 1 . 1 30 30 SER H H 1 8.281 . . . . . . . . 30 SER H . 52913 12 54 . 1 . 1 30 30 SER N N 15 117.413 . . . . . . . . 30 SER N . 52913 12 55 . 1 . 1 31 31 GLN H H 1 8.214 . . . . . . . . 31 GLN H . 52913 12 56 . 1 . 1 31 31 GLN N N 15 122.259 . . . . . . . . 31 GLN N . 52913 12 57 . 1 . 1 33 33 TYR H H 1 8.139 . . . . . . . . 33 TYR H . 52913 12 58 . 1 . 1 33 33 TYR N N 15 119.901 . . . . . . . . 33 TYR N . 52913 12 59 . 1 . 1 34 34 GLY H H 1 8.191 . . . . . . . . 34 GLY H . 52913 12 60 . 1 . 1 34 34 GLY N N 15 110.505 . . . . . . . . 34 GLY N . 52913 12 61 . 1 . 1 35 35 GLN H H 1 8.13 . . . . . . . . 35 GLN H . 52913 12 62 . 1 . 1 35 35 GLN N N 15 119.671 . . . . . . . . 35 GLN N . 52913 12 63 . 1 . 1 36 36 GLN H H 1 8.414 . . . . . . . . 36 GLN H . 52913 12 64 . 1 . 1 36 36 GLN N N 15 121.254 . . . . . . . . 36 GLN N . 52913 12 65 . 1 . 1 37 37 SER H H 1 8.239 . . . . . . . . 37 SER H . 52913 12 66 . 1 . 1 37 37 SER N N 15 116.52 . . . . . . . . 37 SER N . 52913 12 67 . 1 . 1 38 38 TYR H H 1 8.209 . . . . . . . . 38 TYR H . 52913 12 68 . 1 . 1 38 38 TYR N N 15 122.224 . . . . . . . . 38 TYR N . 52913 12 69 . 1 . 1 39 39 SER H H 1 8.236 . . . . . . . . 39 SER H . 52913 12 70 . 1 . 1 39 39 SER N N 15 117.746 . . . . . . . . 39 SER N . 52913 12 71 . 1 . 1 40 40 GLY H H 1 7.808 . . . . . . . . 40 GLY H . 52913 12 72 . 1 . 1 40 40 GLY N N 15 110.059 . . . . . . . . 40 GLY N . 52913 12 73 . 1 . 1 41 41 TYR H H 1 7.954 . . . . . . . . 41 TYR H . 52913 12 74 . 1 . 1 41 41 TYR N N 15 119.913 . . . . . . . . 41 TYR N . 52913 12 75 . 1 . 1 42 42 SER H H 1 8.164 . . . . . . . . 42 SER H . 52913 12 76 . 1 . 1 42 42 SER N N 15 117.692 . . . . . . . . 42 SER N . 52913 12 77 . 1 . 1 43 43 GLN H H 1 8.325 . . . . . . . . 43 GLN H . 52913 12 78 . 1 . 1 43 43 GLN N N 15 122.209 . . . . . . . . 43 GLN N . 52913 12 79 . 1 . 1 44 44 SER H H 1 8.327 . . . . . . . . 44 SER H . 52913 12 80 . 1 . 1 44 44 SER N N 15 116.63 . . . . . . . . 44 SER N . 52913 12 81 . 1 . 1 45 45 THR H H 1 8.146 . . . . . . . . 45 THR H . 52913 12 82 . 1 . 1 45 45 THR N N 15 115.272 . . . . . . . . 45 THR N . 52913 12 83 . 1 . 1 46 46 ASP H H 1 8.305 . . . . . . . . 46 ASP H . 52913 12 84 . 1 . 1 46 46 ASP N N 15 122.612 . . . . . . . . 46 ASP N . 52913 12 85 . 1 . 1 47 47 THR H H 1 8.189 . . . . . . . . 47 THR H . 52913 12 86 . 1 . 1 47 47 THR N N 15 114.445 . . . . . . . . 47 THR N . 52913 12 87 . 1 . 1 48 48 SER H H 1 8.351 . . . . . . . . 48 SER H . 52913 12 88 . 1 . 1 48 48 SER N N 15 118.154 . . . . . . . . 48 SER N . 52913 12 89 . 1 . 1 49 49 GLY H H 1 8.303 . . . . . . . . 49 GLY H . 52913 12 90 . 1 . 1 49 49 GLY N N 15 110.234 . . . . . . . . 49 GLY N . 52913 12 91 . 1 . 1 50 50 TYR H H 1 8.037 . . . . . . . . 50 TYR H . 52913 12 92 . 1 . 1 50 50 TYR N N 15 120.041 . . . . . . . . 50 TYR N . 52913 12 93 . 1 . 1 51 51 GLY H H 1 8.346 . . . . . . . . 51 GLY H . 52913 12 94 . 1 . 1 51 51 GLY N N 15 110.639 . . . . . . . . 51 GLY N . 52913 12 95 . 1 . 1 52 52 GLN H H 1 8.133 . . . . . . . . 52 GLN H . 52913 12 96 . 1 . 1 52 52 GLN N N 15 119.675 . . . . . . . . 52 GLN N . 52913 12 97 . 1 . 1 53 53 SER H H 1 8.372 . . . . . . . . 53 SER H . 52913 12 98 . 1 . 1 53 53 SER N N 15 116.622 . . . . . . . . 53 SER N . 52913 12 99 . 1 . 1 54 54 SER H H 1 8.253 . . . . . . . . 54 SER H . 52913 12 100 . 1 . 1 54 54 SER N N 15 117.366 . . . . . . . . 54 SER N . 52913 12 101 . 1 . 1 55 55 TYR H H 1 8.099 . . . . . . . . 55 TYR H . 52913 12 102 . 1 . 1 55 55 TYR N N 15 121.704 . . . . . . . . 55 TYR N . 52913 12 103 . 1 . 1 56 56 SER H H 1 8.071 . . . . . . . . 56 SER H . 52913 12 104 . 1 . 1 56 56 SER N N 15 116.856 . . . . . . . . 56 SER N . 52913 12 105 . 1 . 1 57 57 SER H H 1 8.171 . . . . . . . . 57 SER H . 52913 12 106 . 1 . 1 57 57 SER N N 15 117.639 . . . . . . . . 57 SER N . 52913 12 107 . 1 . 1 58 58 TYR H H 1 8.093 . . . . . . . . 58 TYR H . 52913 12 108 . 1 . 1 58 58 TYR N N 15 121.733 . . . . . . . . 58 TYR N . 52913 12 109 . 1 . 1 59 59 GLY H H 1 8.235 . . . . . . . . 59 GLY H . 52913 12 110 . 1 . 1 59 59 GLY N N 15 110.325 . . . . . . . . 59 GLY N . 52913 12 111 . 1 . 1 60 60 GLN H H 1 8.094 . . . . . . . . 60 GLN H . 52913 12 112 . 1 . 1 60 60 GLN N N 15 119.569 . . . . . . . . 60 GLN N . 52913 12 113 . 1 . 1 61 61 SER H H 1 8.334 . . . . . . . . 61 SER H . 52913 12 114 . 1 . 1 61 61 SER N N 15 116.681 . . . . . . . . 61 SER N . 52913 12 115 . 1 . 1 62 62 GLN H H 1 8.387 . . . . . . . . 62 GLN H . 52913 12 116 . 1 . 1 62 62 GLN N N 15 121.5 . . . . . . . . 62 GLN N . 52913 12 117 . 1 . 1 63 63 ASN H H 1 8.42 . . . . . . . . 63 ASN H . 52913 12 118 . 1 . 1 63 63 ASN N N 15 119.524 . . . . . . . . 63 ASN N . 52913 12 119 . 1 . 1 64 64 THR H H 1 8.096 . . . . . . . . 64 THR H . 52913 12 120 . 1 . 1 64 64 THR N N 15 113.659 . . . . . . . . 64 THR N . 52913 12 121 . 1 . 1 65 65 GLY H H 1 8.313 . . . . . . . . 65 GLY H . 52913 12 122 . 1 . 1 65 65 GLY N N 15 110.458 . . . . . . . . 65 GLY N . 52913 12 123 . 1 . 1 67 67 GLY H H 1 8.339 . . . . . . . . 67 GLY H . 52913 12 124 . 1 . 1 67 67 GLY N N 15 110.701 . . . . . . . . 67 GLY N . 52913 12 125 . 1 . 1 68 68 THR H H 1 8.026 . . . . . . . . 68 THR H . 52913 12 126 . 1 . 1 68 68 THR N N 15 113.392 . . . . . . . . 68 THR N . 52913 12 127 . 1 . 1 69 69 GLN H H 1 8.431 . . . . . . . . 69 GLN H . 52913 12 128 . 1 . 1 69 69 GLN N N 15 122.247 . . . . . . . . 69 GLN N . 52913 12 129 . 1 . 1 70 70 SER H H 1 8.322 . . . . . . . . 70 SER H . 52913 12 130 . 1 . 1 70 70 SER N N 15 116.999 . . . . . . . . 70 SER N . 52913 12 131 . 1 . 1 71 71 THR H H 1 8.116 . . . . . . . . 71 THR H . 52913 12 132 . 1 . 1 71 71 THR N N 15 117.472 . . . . . . . . 71 THR N . 52913 12 133 . 1 . 1 73 73 GLN H H 1 8.413 . . . . . . . . 73 GLN H . 52913 12 134 . 1 . 1 73 73 GLN N N 15 120.292 . . . . . . . . 73 GLN N . 52913 12 135 . 1 . 1 74 74 GLY H H 1 8.302 . . . . . . . . 74 GLY H . 52913 12 136 . 1 . 1 74 74 GLY N N 15 109.796 . . . . . . . . 74 GLY N . 52913 12 137 . 1 . 1 75 75 TYR H H 1 8.068 . . . . . . . . 75 TYR H . 52913 12 138 . 1 . 1 75 75 TYR N N 15 120.159 . . . . . . . . 75 TYR N . 52913 12 139 . 1 . 1 76 76 GLY H H 1 8.358 . . . . . . . . 76 GLY H . 52913 12 140 . 1 . 1 76 76 GLY N N 15 110.758 . . . . . . . . 76 GLY N . 52913 12 141 . 1 . 1 77 77 SER H H 1 8.179 . . . . . . . . 77 SER H . 52913 12 142 . 1 . 1 77 77 SER N N 15 115.572 . . . . . . . . 77 SER N . 52913 12 143 . 1 . 1 78 78 THR H H 1 8.21 . . . . . . . . 78 THR H . 52913 12 144 . 1 . 1 78 78 THR N N 15 114.788 . . . . . . . . 78 THR N . 52913 12 145 . 1 . 1 79 79 GLY H H 1 8.31 . . . . . . . . 79 GLY H . 52913 12 146 . 1 . 1 79 79 GLY N N 15 110.663 . . . . . . . . 79 GLY N . 52913 12 147 . 1 . 1 80 80 GLY H H 1 8.142 . . . . . . . . 80 GLY H . 52913 12 148 . 1 . 1 80 80 GLY N N 15 108.311 . . . . . . . . 80 GLY N . 52913 12 149 . 1 . 1 81 81 TYR H H 1 8.123 . . . . . . . . 81 TYR H . 52913 12 150 . 1 . 1 81 81 TYR N N 15 120.164 . . . . . . . . 81 TYR N . 52913 12 151 . 1 . 1 82 82 GLY H H 1 8.364 . . . . . . . . 82 GLY H . 52913 12 152 . 1 . 1 82 82 GLY N N 15 110.837 . . . . . . . . 82 GLY N . 52913 12 153 . 1 . 1 83 83 SER H H 1 8.14 . . . . . . . . 83 SER H . 52913 12 154 . 1 . 1 83 83 SER N N 15 115.503 . . . . . . . . 83 SER N . 52913 12 155 . 1 . 1 84 84 SER H H 1 8.403 . . . . . . . . 84 SER H . 52913 12 156 . 1 . 1 84 84 SER N N 15 117.619 . . . . . . . . 84 SER N . 52913 12 157 . 1 . 1 85 85 GLN H H 1 8.37 . . . . . . . . 85 GLN H . 52913 12 158 . 1 . 1 85 85 GLN N N 15 121.795 . . . . . . . . 85 GLN N . 52913 12 159 . 1 . 1 86 86 SER H H 1 8.279 . . . . . . . . 86 SER H . 52913 12 160 . 1 . 1 86 86 SER N N 15 116.419 . . . . . . . . 86 SER N . 52913 12 161 . 1 . 1 87 87 SER H H 1 8.314 . . . . . . . . 87 SER H . 52913 12 162 . 1 . 1 87 87 SER N N 15 117.462 . . . . . . . . 87 SER N . 52913 12 163 . 1 . 1 88 88 GLN H H 1 8.32 . . . . . . . . 88 GLN H . 52913 12 164 . 1 . 1 88 88 GLN N N 15 121.706 . . . . . . . . 88 GLN N . 52913 12 165 . 1 . 1 89 89 SER H H 1 8.257 . . . . . . . . 89 SER H . 52913 12 166 . 1 . 1 89 89 SER N N 15 116.402 . . . . . . . . 89 SER N . 52913 12 167 . 1 . 1 90 90 SER H H 1 8.218 . . . . . . . . 90 SER H . 52913 12 168 . 1 . 1 90 90 SER N N 15 117.434 . . . . . . . . 90 SER N . 52913 12 169 . 1 . 1 91 91 TYR H H 1 8.124 . . . . . . . . 91 TYR H . 52913 12 170 . 1 . 1 91 91 TYR N N 15 121.782 . . . . . . . . 91 TYR N . 52913 12 171 . 1 . 1 92 92 GLY H H 1 8.236 . . . . . . . . 92 GLY H . 52913 12 172 . 1 . 1 92 92 GLY N N 15 110.277 . . . . . . . . 92 GLY N . 52913 12 173 . 1 . 1 93 93 GLN H H 1 8.133 . . . . . . . . 93 GLN H . 52913 12 174 . 1 . 1 93 93 GLN N N 15 119.641 . . . . . . . . 93 GLN N . 52913 12 175 . 1 . 1 95 95 SER H H 1 8.282 . . . . . . . . 95 SER H . 52913 12 176 . 1 . 1 95 95 SER N N 15 116.472 . . . . . . . . 95 SER N . 52913 12 177 . 1 . 1 96 96 SER H H 1 8.132 . . . . . . . . 96 SER H . 52913 12 178 . 1 . 1 96 96 SER N N 15 117.013 . . . . . . . . 96 SER N . 52913 12 179 . 1 . 1 97 97 TYR H H 1 8.075 . . . . . . . . 97 TYR H . 52913 12 180 . 1 . 1 97 97 TYR N N 15 122.692 . . . . . . . . 97 TYR N . 52913 12 181 . 1 . 1 99 99 GLY H H 1 7.905 . . . . . . . . 99 GLY H . 52913 12 182 . 1 . 1 99 99 GLY N N 15 108.575 . . . . . . . . 99 GLY N . 52913 12 183 . 1 . 1 100 100 TYR H H 1 7.912 . . . . . . . . 100 TYR H . 52913 12 184 . 1 . 1 100 100 TYR N N 15 120.011 . . . . . . . . 100 TYR N . 52913 12 185 . 1 . 1 101 101 GLY H H 1 8.341 . . . . . . . . 101 GLY H . 52913 12 186 . 1 . 1 101 101 GLY N N 15 111.006 . . . . . . . . 101 GLY N . 52913 12 187 . 1 . 1 102 102 GLN H H 1 8.076 . . . . . . . . 102 GLN H . 52913 12 188 . 1 . 1 102 102 GLN N N 15 119.498 . . . . . . . . 102 GLN N . 52913 12 189 . 1 . 1 103 103 GLN H H 1 8.394 . . . . . . . . 103 GLN H . 52913 12 190 . 1 . 1 103 103 GLN N N 15 122.618 . . . . . . . . 103 GLN N . 52913 12 191 . 1 . 1 105 105 ALA H H 1 8.351 . . . . . . . . 105 ALA H . 52913 12 192 . 1 . 1 105 105 ALA N N 15 125.452 . . . . . . . . 105 ALA N . 52913 12 193 . 1 . 1 107 107 SER H H 1 8.368 . . . . . . . . 107 SER H . 52913 12 194 . 1 . 1 107 107 SER N N 15 115.593 . . . . . . . . 107 SER N . 52913 12 195 . 1 . 1 108 108 SER H H 1 8.376 . . . . . . . . 108 SER H . 52913 12 196 . 1 . 1 108 108 SER N N 15 117.542 . . . . . . . . 108 SER N . 52913 12 197 . 1 . 1 109 109 THR H H 1 8.182 . . . . . . . . 109 THR H . 52913 12 198 . 1 . 1 109 109 THR N N 15 114.821 . . . . . . . . 109 THR N . 52913 12 199 . 1 . 1 110 110 SER H H 1 8.231 . . . . . . . . 110 SER H . 52913 12 200 . 1 . 1 110 110 SER N N 15 117.703 . . . . . . . . 110 SER N . 52913 12 201 . 1 . 1 111 111 GLY H H 1 8.344 . . . . . . . . 111 GLY H . 52913 12 202 . 1 . 1 111 111 GLY N N 15 110.679 . . . . . . . . 111 GLY N . 52913 12 203 . 1 . 1 112 112 SER H H 1 8.098 . . . . . . . . 112 SER H . 52913 12 204 . 1 . 1 112 112 SER N N 15 115.434 . . . . . . . . 112 SER N . 52913 12 205 . 1 . 1 113 113 TYR H H 1 8.245 . . . . . . . . 113 TYR H . 52913 12 206 . 1 . 1 113 113 TYR N N 15 122.198 . . . . . . . . 113 TYR N . 52913 12 207 . 1 . 1 114 114 GLY H H 1 8.281 . . . . . . . . 114 GLY H . 52913 12 208 . 1 . 1 114 114 GLY N N 15 110.583 . . . . . . . . 114 GLY N . 52913 12 209 . 1 . 1 115 115 SER H H 1 8.165 . . . . . . . . 115 SER H . 52913 12 210 . 1 . 1 115 115 SER N N 15 115.574 . . . . . . . . 115 SER N . 52913 12 211 . 1 . 1 116 116 SER H H 1 8.409 . . . . . . . . 116 SER H . 52913 12 212 . 1 . 1 116 116 SER N N 15 117.654 . . . . . . . . 116 SER N . 52913 12 213 . 1 . 1 117 117 SER H H 1 8.311 . . . . . . . . 117 SER H . 52913 12 214 . 1 . 1 117 117 SER N N 15 117.624 . . . . . . . . 117 SER N . 52913 12 215 . 1 . 1 118 118 GLN H H 1 8.316 . . . . . . . . 118 GLN H . 52913 12 216 . 1 . 1 118 118 GLN N N 15 121.758 . . . . . . . . 118 GLN N . 52913 12 217 . 1 . 1 119 119 SER H H 1 8.276 . . . . . . . . 119 SER H . 52913 12 218 . 1 . 1 119 119 SER N N 15 116.47 . . . . . . . . 119 SER N . 52913 12 219 . 1 . 1 120 120 SER H H 1 8.311 . . . . . . . . 120 SER H . 52913 12 220 . 1 . 1 120 120 SER N N 15 117.566 . . . . . . . . 120 SER N . 52913 12 221 . 1 . 1 121 121 SER H H 1 8.227 . . . . . . . . 121 SER H . 52913 12 222 . 1 . 1 121 121 SER N N 15 117.336 . . . . . . . . 121 SER N . 52913 12 223 . 1 . 1 122 122 TYR H H 1 8.07 . . . . . . . . 122 TYR H . 52913 12 224 . 1 . 1 122 122 TYR N N 15 121.837 . . . . . . . . 122 TYR N . 52913 12 225 . 1 . 1 123 123 GLY H H 1 8.211 . . . . . . . . 123 GLY H . 52913 12 226 . 1 . 1 123 123 GLY N N 15 110.557 . . . . . . . . 123 GLY N . 52913 12 227 . 1 . 1 124 124 GLN H H 1 8.052 . . . . . . . . 124 GLN H . 52913 12 228 . 1 . 1 124 124 GLN N N 15 120.427 . . . . . . . . 124 GLN N . 52913 12 229 . 1 . 1 126 126 GLN H H 1 8.54 . . . . . . . . 126 GLN H . 52913 12 230 . 1 . 1 126 126 GLN N N 15 120.603 . . . . . . . . 126 GLN N . 52913 12 231 . 1 . 1 127 127 SER H H 1 8.34 . . . . . . . . 127 SER H . 52913 12 232 . 1 . 1 127 127 SER N N 15 116.731 . . . . . . . . 127 SER N . 52913 12 233 . 1 . 1 128 128 GLY H H 1 8.4 . . . . . . . . 128 GLY H . 52913 12 234 . 1 . 1 128 128 GLY N N 15 110.72 . . . . . . . . 128 GLY N . 52913 12 235 . 1 . 1 129 129 SER H H 1 8.113 . . . . . . . . 129 SER H . 52913 12 236 . 1 . 1 129 129 SER N N 15 115.356 . . . . . . . . 129 SER N . 52913 12 237 . 1 . 1 131 131 SER H H 1 8.101 . . . . . . . . 131 SER H . 52913 12 238 . 1 . 1 131 131 SER N N 15 116.954 . . . . . . . . 131 SER N . 52913 12 239 . 1 . 1 132 132 GLN H H 1 8.225 . . . . . . . . 132 GLN H . 52913 12 240 . 1 . 1 132 132 GLN N N 15 121.8 . . . . . . . . 132 GLN N . 52913 12 241 . 1 . 1 133 133 GLN H H 1 8.296 . . . . . . . . 133 GLN H . 52913 12 242 . 1 . 1 133 133 GLN N N 15 122.381 . . . . . . . . 133 GLN N . 52913 12 243 . 1 . 1 135 135 SER H H 1 8.267 . . . . . . . . 135 SER H . 52913 12 244 . 1 . 1 135 135 SER N N 15 115.458 . . . . . . . . 135 SER N . 52913 12 245 . 1 . 1 136 136 TYR H H 1 8.175 . . . . . . . . 136 TYR H . 52913 12 246 . 1 . 1 136 136 TYR N N 15 121.999 . . . . . . . . 136 TYR N . 52913 12 247 . 1 . 1 137 137 GLY H H 1 8.334 . . . . . . . . 137 GLY H . 52913 12 248 . 1 . 1 137 137 GLY N N 15 110.719 . . . . . . . . 137 GLY N . 52913 12 249 . 1 . 1 138 138 GLY H H 1 7.944 . . . . . . . . 138 GLY H . 52913 12 250 . 1 . 1 138 138 GLY N N 15 108.244 . . . . . . . . 138 GLY N . 52913 12 251 . 1 . 1 139 139 GLN H H 1 8.26 . . . . . . . . 139 GLN H . 52913 12 252 . 1 . 1 139 139 GLN N N 15 119.651 . . . . . . . . 139 GLN N . 52913 12 253 . 1 . 1 140 140 GLN H H 1 8.455 . . . . . . . . 140 GLN H . 52913 12 254 . 1 . 1 140 140 GLN N N 15 121.379 . . . . . . . . 140 GLN N . 52913 12 255 . 1 . 1 141 141 GLN H H 1 8.393 . . . . . . . . 141 GLN H . 52913 12 256 . 1 . 1 141 141 GLN N N 15 121.355 . . . . . . . . 141 GLN N . 52913 12 257 . 1 . 1 142 142 SER H H 1 8.241 . . . . . . . . 142 SER H . 52913 12 258 . 1 . 1 142 142 SER N N 15 116.563 . . . . . . . . 142 SER N . 52913 12 259 . 1 . 1 143 143 TYR H H 1 8.214 . . . . . . . . 143 TYR H . 52913 12 260 . 1 . 1 143 143 TYR N N 15 122.046 . . . . . . . . 143 TYR N . 52913 12 261 . 1 . 1 144 144 GLY H H 1 8.303 . . . . . . . . 144 GLY H . 52913 12 262 . 1 . 1 144 144 GLY N N 15 110.165 . . . . . . . . 144 GLY N . 52913 12 263 . 1 . 1 145 145 GLN H H 1 8.162 . . . . . . . . 145 GLN H . 52913 12 264 . 1 . 1 145 145 GLN N N 15 119.695 . . . . . . . . 145 GLN N . 52913 12 265 . 1 . 1 146 146 GLN H H 1 8.434 . . . . . . . . 146 GLN H . 52913 12 266 . 1 . 1 146 146 GLN N N 15 121.276 . . . . . . . . 146 GLN N . 52913 12 267 . 1 . 1 147 147 GLN H H 1 8.406 . . . . . . . . 147 GLN H . 52913 12 268 . 1 . 1 147 147 GLN N N 15 121.29 . . . . . . . . 147 GLN N . 52913 12 269 . 1 . 1 148 148 SER H H 1 8.243 . . . . . . . . 148 SER H . 52913 12 270 . 1 . 1 148 148 SER N N 15 116.609 . . . . . . . . 148 SER N . 52913 12 271 . 1 . 1 149 149 TYR H H 1 8.178 . . . . . . . . 149 TYR H . 52913 12 272 . 1 . 1 149 149 TYR N N 15 122.307 . . . . . . . . 149 TYR N . 52913 12 273 . 1 . 1 150 150 ASN H H 1 8.2 . . . . . . . . 150 ASN H . 52913 12 274 . 1 . 1 150 150 ASN N N 15 123.057 . . . . . . . . 150 ASN N . 52913 12 275 . 1 . 1 153 153 GLN H H 1 8.433 . . . . . . . . 153 GLN H . 52913 12 276 . 1 . 1 153 153 GLN N N 15 119.946 . . . . . . . . 153 GLN N . 52913 12 277 . 1 . 1 154 154 GLY H H 1 8.331 . . . . . . . . 154 GLY H . 52913 12 278 . 1 . 1 154 154 GLY N N 15 109.896 . . . . . . . . 154 GLY N . 52913 12 279 . 1 . 1 155 155 TYR H H 1 8.101 . . . . . . . . 155 TYR H . 52913 12 280 . 1 . 1 155 155 TYR N N 15 119.987 . . . . . . . . 155 TYR N . 52913 12 281 . 1 . 1 156 156 GLY H H 1 8.383 . . . . . . . . 156 GLY H . 52913 12 282 . 1 . 1 156 156 GLY N N 15 110.795 . . . . . . . . 156 GLY N . 52913 12 283 . 1 . 1 157 157 GLN H H 1 8.161 . . . . . . . . 157 GLN H . 52913 12 284 . 1 . 1 157 157 GLN N N 15 119.656 . . . . . . . . 157 GLN N . 52913 12 285 . 1 . 1 158 158 GLN H H 1 8.457 . . . . . . . . 158 GLN H . 52913 12 286 . 1 . 1 158 158 GLN N N 15 120.939 . . . . . . . . 158 GLN N . 52913 12 287 . 1 . 1 159 159 ASN H H 1 8.427 . . . . . . . . 159 ASN H . 52913 12 288 . 1 . 1 159 159 ASN N N 15 119.467 . . . . . . . . 159 ASN N . 52913 12 289 . 1 . 1 160 160 GLN H H 1 8.28 . . . . . . . . 160 GLN H . 52913 12 290 . 1 . 1 160 160 GLN N N 15 120.086 . . . . . . . . 160 GLN N . 52913 12 291 . 1 . 1 161 161 TYR H H 1 8.179 . . . . . . . . 161 TYR H . 52913 12 292 . 1 . 1 161 161 TYR N N 15 120.391 . . . . . . . . 161 TYR N . 52913 12 293 . 1 . 1 162 162 ASN H H 1 8.26 . . . . . . . . 162 ASN H . 52913 12 294 . 1 . 1 162 162 ASN N N 15 120.424 . . . . . . . . 162 ASN N . 52913 12 295 . 1 . 1 163 163 SER H H 1 7.82 . . . . . . . . 163 SER H . 52913 12 296 . 1 . 1 163 163 SER N N 15 121.291 . . . . . . . . 163 SER N . 52913 12 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_13 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_13 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 13 _Assigned_chem_shift_list.Name 'FUS LC NoDiol 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 13 '2D 1H-15N HSQC' . . . 52913 13 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 13 na 'all 15N' . -0.0024771819802792 . 52913 13 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 13 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.543 . . . . . . . . 2 ALA H . 52913 13 2 . 1 . 1 2 2 ALA N N 15 125.835 . . . . . . . . 2 ALA N . 52913 13 3 . 1 . 1 3 3 SER H H 1 8.286 . . . . . . . . 3 SER H . 52913 13 4 . 1 . 1 3 3 SER N N 15 115.067 . . . . . . . . 3 SER N . 52913 13 5 . 1 . 1 4 4 ASN H H 1 8.41 . . . . . . . . 4 ASN H . 52913 13 6 . 1 . 1 4 4 ASN N N 15 120.332 . . . . . . . . 4 ASN N . 52913 13 7 . 1 . 1 5 5 ASP H H 1 8.154 . . . . . . . . 5 ASP H . 52913 13 8 . 1 . 1 5 5 ASP N N 15 120.119 . . . . . . . . 5 ASP N . 52913 13 9 . 1 . 1 6 6 TYR H H 1 8.172 . . . . . . . . 6 TYR H . 52913 13 10 . 1 . 1 6 6 TYR N N 15 120.999 . . . . . . . . 6 TYR N . 52913 13 11 . 1 . 1 7 7 THR H H 1 8.051 . . . . . . . . 7 THR H . 52913 13 12 . 1 . 1 7 7 THR N N 15 115.201 . . . . . . . . 7 THR N . 52913 13 13 . 1 . 1 8 8 GLN H H 1 8.193 . . . . . . . . 8 GLN H . 52913 13 14 . 1 . 1 8 8 GLN N N 15 122.086 . . . . . . . . 8 GLN N . 52913 13 15 . 1 . 1 9 9 GLN H H 1 8.27 . . . . . . . . 9 GLN H . 52913 13 16 . 1 . 1 9 9 GLN N N 15 121.138 . . . . . . . . 9 GLN N . 52913 13 17 . 1 . 1 10 10 ALA H H 1 8.343 . . . . . . . . 10 ALA H . 52913 13 18 . 1 . 1 10 10 ALA N N 15 124.976 . . . . . . . . 10 ALA N . 52913 13 19 . 1 . 1 11 11 THR H H 1 8.066 . . . . . . . . 11 THR H . 52913 13 20 . 1 . 1 11 11 THR N N 15 113.014 . . . . . . . . 11 THR N . 52913 13 21 . 1 . 1 12 12 GLN H H 1 8.289 . . . . . . . . 12 GLN H . 52913 13 22 . 1 . 1 12 12 GLN N N 15 122.307 . . . . . . . . 12 GLN N . 52913 13 23 . 1 . 1 13 13 SER H H 1 8.245 . . . . . . . . 13 SER H . 52913 13 24 . 1 . 1 13 13 SER N N 15 116.827 . . . . . . . . 13 SER N . 52913 13 25 . 1 . 1 14 14 TYR H H 1 8.201 . . . . . . . . 14 TYR H . 52913 13 26 . 1 . 1 14 14 TYR N N 15 122.125 . . . . . . . . 14 TYR N . 52913 13 27 . 1 . 1 15 15 GLY H H 1 8.214 . . . . . . . . 15 GLY H . 52913 13 28 . 1 . 1 15 15 GLY N N 15 110.395 . . . . . . . . 15 GLY N . 52913 13 29 . 1 . 1 16 16 ALA H H 1 7.937 . . . . . . . . 16 ALA H . 52913 13 30 . 1 . 1 16 16 ALA N N 15 123.316 . . . . . . . . 16 ALA N . 52913 13 31 . 1 . 1 17 17 TYR H H 1 8.051 . . . . . . . . 17 TYR H . 52913 13 32 . 1 . 1 17 17 TYR N N 15 120.139 . . . . . . . . 17 TYR N . 52913 13 33 . 1 . 1 19 19 THR H H 1 8.133 . . . . . . . . 19 THR H . 52913 13 34 . 1 . 1 19 19 THR N N 15 114.176 . . . . . . . . 19 THR N . 52913 13 35 . 1 . 1 20 20 GLN H H 1 8.292 . . . . . . . . 20 GLN H . 52913 13 36 . 1 . 1 20 20 GLN N N 15 123.233 . . . . . . . . 20 GLN N . 52913 13 37 . 1 . 1 22 22 GLY H H 1 8.491 . . . . . . . . 22 GLY H . 52913 13 38 . 1 . 1 22 22 GLY N N 15 109.541 . . . . . . . . 22 GLY N . 52913 13 39 . 1 . 1 23 23 GLN H H 1 8.156 . . . . . . . . 23 GLN H . 52913 13 40 . 1 . 1 23 23 GLN N N 15 119.435 . . . . . . . . 23 GLN N . 52913 13 41 . 1 . 1 24 24 GLY H H 1 8.421 . . . . . . . . 24 GLY H . 52913 13 42 . 1 . 1 24 24 GLY N N 15 109.764 . . . . . . . . 24 GLY N . 52913 13 43 . 1 . 1 25 25 TYR H H 1 8.044 . . . . . . . . 25 TYR H . 52913 13 44 . 1 . 1 25 25 TYR N N 15 120.101 . . . . . . . . 25 TYR N . 52913 13 45 . 1 . 1 26 26 SER H H 1 8.228 . . . . . . . . 26 SER H . 52913 13 46 . 1 . 1 26 26 SER N N 15 117.543 . . . . . . . . 26 SER N . 52913 13 47 . 1 . 1 27 27 GLN H H 1 8.358 . . . . . . . . 27 GLN H . 52913 13 48 . 1 . 1 27 27 GLN N N 15 122.233 . . . . . . . . 27 GLN N . 52913 13 49 . 1 . 1 28 28 GLN H H 1 8.361 . . . . . . . . 28 GLN H . 52913 13 50 . 1 . 1 28 28 GLN N N 15 121.048 . . . . . . . . 28 GLN N . 52913 13 51 . 1 . 1 29 29 SER H H 1 8.303 . . . . . . . . 29 SER H . 52913 13 52 . 1 . 1 29 29 SER N N 15 116.66 . . . . . . . . 29 SER N . 52913 13 53 . 1 . 1 30 30 SER H H 1 8.301 . . . . . . . . 30 SER H . 52913 13 54 . 1 . 1 30 30 SER N N 15 117.476 . . . . . . . . 30 SER N . 52913 13 55 . 1 . 1 31 31 GLN H H 1 8.227 . . . . . . . . 31 GLN H . 52913 13 56 . 1 . 1 31 31 GLN N N 15 122.335 . . . . . . . . 31 GLN N . 52913 13 57 . 1 . 1 33 33 TYR H H 1 8.159 . . . . . . . . 33 TYR H . 52913 13 58 . 1 . 1 33 33 TYR N N 15 120.017 . . . . . . . . 33 TYR N . 52913 13 59 . 1 . 1 34 34 GLY H H 1 8.204 . . . . . . . . 34 GLY H . 52913 13 60 . 1 . 1 34 34 GLY N N 15 110.596 . . . . . . . . 34 GLY N . 52913 13 61 . 1 . 1 35 35 GLN H H 1 8.14 . . . . . . . . 35 GLN H . 52913 13 62 . 1 . 1 35 35 GLN N N 15 119.728 . . . . . . . . 35 GLN N . 52913 13 63 . 1 . 1 36 36 GLN H H 1 8.424 . . . . . . . . 36 GLN H . 52913 13 64 . 1 . 1 36 36 GLN N N 15 121.32 . . . . . . . . 36 GLN N . 52913 13 65 . 1 . 1 37 37 SER H H 1 8.256 . . . . . . . . 37 SER H . 52913 13 66 . 1 . 1 37 37 SER N N 15 116.573 . . . . . . . . 37 SER N . 52913 13 67 . 1 . 1 38 38 TYR H H 1 8.221 . . . . . . . . 38 TYR H . 52913 13 68 . 1 . 1 38 38 TYR N N 15 122.262 . . . . . . . . 38 TYR N . 52913 13 69 . 1 . 1 39 39 SER H H 1 8.254 . . . . . . . . 39 SER H . 52913 13 70 . 1 . 1 39 39 SER N N 15 117.849 . . . . . . . . 39 SER N . 52913 13 71 . 1 . 1 40 40 GLY H H 1 7.814 . . . . . . . . 40 GLY H . 52913 13 72 . 1 . 1 40 40 GLY N N 15 110.128 . . . . . . . . 40 GLY N . 52913 13 73 . 1 . 1 41 41 TYR H H 1 7.968 . . . . . . . . 41 TYR H . 52913 13 74 . 1 . 1 41 41 TYR N N 15 119.98 . . . . . . . . 41 TYR N . 52913 13 75 . 1 . 1 42 42 SER H H 1 8.183 . . . . . . . . 42 SER H . 52913 13 76 . 1 . 1 42 42 SER N N 15 117.781 . . . . . . . . 42 SER N . 52913 13 77 . 1 . 1 43 43 GLN H H 1 8.341 . . . . . . . . 43 GLN H . 52913 13 78 . 1 . 1 43 43 GLN N N 15 122.263 . . . . . . . . 43 GLN N . 52913 13 79 . 1 . 1 44 44 SER H H 1 8.345 . . . . . . . . 44 SER H . 52913 13 80 . 1 . 1 44 44 SER N N 15 116.712 . . . . . . . . 44 SER N . 52913 13 81 . 1 . 1 45 45 THR H H 1 8.169 . . . . . . . . 45 THR H . 52913 13 82 . 1 . 1 45 45 THR N N 15 115.327 . . . . . . . . 45 THR N . 52913 13 83 . 1 . 1 46 46 ASP H H 1 8.32 . . . . . . . . 46 ASP H . 52913 13 84 . 1 . 1 46 46 ASP N N 15 122.652 . . . . . . . . 46 ASP N . 52913 13 85 . 1 . 1 47 47 THR H H 1 8.206 . . . . . . . . 47 THR H . 52913 13 86 . 1 . 1 47 47 THR N N 15 114.489 . . . . . . . . 47 THR N . 52913 13 87 . 1 . 1 48 48 SER H H 1 8.366 . . . . . . . . 48 SER H . 52913 13 88 . 1 . 1 48 48 SER N N 15 118.19 . . . . . . . . 48 SER N . 52913 13 89 . 1 . 1 49 49 GLY H H 1 8.314 . . . . . . . . 49 GLY H . 52913 13 90 . 1 . 1 49 49 GLY N N 15 110.324 . . . . . . . . 49 GLY N . 52913 13 91 . 1 . 1 50 50 TYR H H 1 8.048 . . . . . . . . 50 TYR H . 52913 13 92 . 1 . 1 50 50 TYR N N 15 120.123 . . . . . . . . 50 TYR N . 52913 13 93 . 1 . 1 51 51 GLY H H 1 8.355 . . . . . . . . 51 GLY H . 52913 13 94 . 1 . 1 51 51 GLY N N 15 110.747 . . . . . . . . 51 GLY N . 52913 13 95 . 1 . 1 52 52 GLN H H 1 8.147 . . . . . . . . 52 GLN H . 52913 13 96 . 1 . 1 52 52 GLN N N 15 119.731 . . . . . . . . 52 GLN N . 52913 13 97 . 1 . 1 53 53 SER H H 1 8.388 . . . . . . . . 53 SER H . 52913 13 98 . 1 . 1 53 53 SER N N 15 116.693 . . . . . . . . 53 SER N . 52913 13 99 . 1 . 1 54 54 SER H H 1 8.27 . . . . . . . . 54 SER H . 52913 13 100 . 1 . 1 54 54 SER N N 15 117.396 . . . . . . . . 54 SER N . 52913 13 101 . 1 . 1 55 55 TYR H H 1 8.113 . . . . . . . . 55 TYR H . 52913 13 102 . 1 . 1 55 55 TYR N N 15 121.769 . . . . . . . . 55 TYR N . 52913 13 103 . 1 . 1 56 56 SER H H 1 8.089 . . . . . . . . 56 SER H . 52913 13 104 . 1 . 1 56 56 SER N N 15 116.978 . . . . . . . . 56 SER N . 52913 13 105 . 1 . 1 57 57 SER H H 1 8.191 . . . . . . . . 57 SER H . 52913 13 106 . 1 . 1 57 57 SER N N 15 117.7 . . . . . . . . 57 SER N . 52913 13 107 . 1 . 1 58 58 TYR H H 1 8.108 . . . . . . . . 58 TYR H . 52913 13 108 . 1 . 1 58 58 TYR N N 15 121.828 . . . . . . . . 58 TYR N . 52913 13 109 . 1 . 1 59 59 GLY H H 1 8.245 . . . . . . . . 59 GLY H . 52913 13 110 . 1 . 1 59 59 GLY N N 15 110.433 . . . . . . . . 59 GLY N . 52913 13 111 . 1 . 1 60 60 GLN H H 1 8.109 . . . . . . . . 60 GLN H . 52913 13 112 . 1 . 1 60 60 GLN N N 15 119.632 . . . . . . . . 60 GLN N . 52913 13 113 . 1 . 1 61 61 SER H H 1 8.355 . . . . . . . . 61 SER H . 52913 13 114 . 1 . 1 61 61 SER N N 15 116.76 . . . . . . . . 61 SER N . 52913 13 115 . 1 . 1 62 62 GLN H H 1 8.403 . . . . . . . . 62 GLN H . 52913 13 116 . 1 . 1 62 62 GLN N N 15 121.52 . . . . . . . . 62 GLN N . 52913 13 117 . 1 . 1 63 63 ASN H H 1 8.437 . . . . . . . . 63 ASN H . 52913 13 118 . 1 . 1 63 63 ASN N N 15 119.578 . . . . . . . . 63 ASN N . 52913 13 119 . 1 . 1 64 64 THR H H 1 8.117 . . . . . . . . 64 THR H . 52913 13 120 . 1 . 1 64 64 THR N N 15 113.731 . . . . . . . . 64 THR N . 52913 13 121 . 1 . 1 65 65 GLY H H 1 8.327 . . . . . . . . 65 GLY H . 52913 13 122 . 1 . 1 65 65 GLY N N 15 110.537 . . . . . . . . 65 GLY N . 52913 13 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 13 124 . 1 . 1 67 67 GLY N N 15 110.799 . . . . . . . . 67 GLY N . 52913 13 125 . 1 . 1 68 68 THR H H 1 8.048 . . . . . . . . 68 THR H . 52913 13 126 . 1 . 1 68 68 THR N N 15 113.463 . . . . . . . . 68 THR N . 52913 13 127 . 1 . 1 69 69 GLN H H 1 8.445 . . . . . . . . 69 GLN H . 52913 13 128 . 1 . 1 69 69 GLN N N 15 122.324 . . . . . . . . 69 GLN N . 52913 13 129 . 1 . 1 70 70 SER H H 1 8.344 . . . . . . . . 70 SER H . 52913 13 130 . 1 . 1 70 70 SER N N 15 117.079 . . . . . . . . 70 SER N . 52913 13 131 . 1 . 1 71 71 THR H H 1 8.138 . . . . . . . . 71 THR H . 52913 13 132 . 1 . 1 71 71 THR N N 15 117.542 . . . . . . . . 71 THR N . 52913 13 133 . 1 . 1 73 73 GLN H H 1 8.429 . . . . . . . . 73 GLN H . 52913 13 134 . 1 . 1 73 73 GLN N N 15 120.368 . . . . . . . . 73 GLN N . 52913 13 135 . 1 . 1 74 74 GLY H H 1 8.313 . . . . . . . . 74 GLY H . 52913 13 136 . 1 . 1 74 74 GLY N N 15 109.875 . . . . . . . . 74 GLY N . 52913 13 137 . 1 . 1 75 75 TYR H H 1 8.078 . . . . . . . . 75 TYR H . 52913 13 138 . 1 . 1 75 75 TYR N N 15 120.276 . . . . . . . . 75 TYR N . 52913 13 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 13 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 13 141 . 1 . 1 77 77 SER H H 1 8.196 . . . . . . . . 77 SER H . 52913 13 142 . 1 . 1 77 77 SER N N 15 115.633 . . . . . . . . 77 SER N . 52913 13 143 . 1 . 1 78 78 THR H H 1 8.231 . . . . . . . . 78 THR H . 52913 13 144 . 1 . 1 78 78 THR N N 15 114.842 . . . . . . . . 78 THR N . 52913 13 145 . 1 . 1 79 79 GLY H H 1 8.323 . . . . . . . . 79 GLY H . 52913 13 146 . 1 . 1 79 79 GLY N N 15 110.732 . . . . . . . . 79 GLY N . 52913 13 147 . 1 . 1 80 80 GLY H H 1 8.151 . . . . . . . . 80 GLY H . 52913 13 148 . 1 . 1 80 80 GLY N N 15 108.377 . . . . . . . . 80 GLY N . 52913 13 149 . 1 . 1 81 81 TYR H H 1 8.135 . . . . . . . . 81 TYR H . 52913 13 150 . 1 . 1 81 81 TYR N N 15 120.196 . . . . . . . . 81 TYR N . 52913 13 151 . 1 . 1 82 82 GLY H H 1 8.373 . . . . . . . . 82 GLY H . 52913 13 152 . 1 . 1 82 82 GLY N N 15 110.901 . . . . . . . . 82 GLY N . 52913 13 153 . 1 . 1 83 83 SER H H 1 8.158 . . . . . . . . 83 SER H . 52913 13 154 . 1 . 1 83 83 SER N N 15 115.561 . . . . . . . . 83 SER N . 52913 13 155 . 1 . 1 84 84 SER H H 1 8.412 . . . . . . . . 84 SER H . 52913 13 156 . 1 . 1 84 84 SER N N 15 117.637 . . . . . . . . 84 SER N . 52913 13 157 . 1 . 1 85 85 GLN H H 1 8.383 . . . . . . . . 85 GLN H . 52913 13 158 . 1 . 1 85 85 GLN N N 15 121.859 . . . . . . . . 85 GLN N . 52913 13 159 . 1 . 1 86 86 SER H H 1 8.296 . . . . . . . . 86 SER H . 52913 13 160 . 1 . 1 86 86 SER N N 15 116.541 . . . . . . . . 86 SER N . 52913 13 161 . 1 . 1 87 87 SER H H 1 8.331 . . . . . . . . 87 SER H . 52913 13 162 . 1 . 1 87 87 SER N N 15 117.498 . . . . . . . . 87 SER N . 52913 13 163 . 1 . 1 88 88 GLN H H 1 8.334 . . . . . . . . 88 GLN H . 52913 13 164 . 1 . 1 88 88 GLN N N 15 121.802 . . . . . . . . 88 GLN N . 52913 13 165 . 1 . 1 89 89 SER H H 1 8.277 . . . . . . . . 89 SER H . 52913 13 166 . 1 . 1 89 89 SER N N 15 116.502 . . . . . . . . 89 SER N . 52913 13 167 . 1 . 1 90 90 SER H H 1 8.235 . . . . . . . . 90 SER H . 52913 13 168 . 1 . 1 90 90 SER N N 15 117.498 . . . . . . . . 90 SER N . 52913 13 169 . 1 . 1 91 91 TYR H H 1 8.139 . . . . . . . . 91 TYR H . 52913 13 170 . 1 . 1 91 91 TYR N N 15 121.854 . . . . . . . . 91 TYR N . 52913 13 171 . 1 . 1 92 92 GLY H H 1 8.247 . . . . . . . . 92 GLY H . 52913 13 172 . 1 . 1 92 92 GLY N N 15 110.368 . . . . . . . . 92 GLY N . 52913 13 173 . 1 . 1 93 93 GLN H H 1 8.147 . . . . . . . . 93 GLN H . 52913 13 174 . 1 . 1 93 93 GLN N N 15 119.669 . . . . . . . . 93 GLN N . 52913 13 175 . 1 . 1 95 95 SER H H 1 8.304 . . . . . . . . 95 SER H . 52913 13 176 . 1 . 1 95 95 SER N N 15 116.6 . . . . . . . . 95 SER N . 52913 13 177 . 1 . 1 96 96 SER H H 1 8.152 . . . . . . . . 96 SER H . 52913 13 178 . 1 . 1 96 96 SER N N 15 117.066 . . . . . . . . 96 SER N . 52913 13 179 . 1 . 1 97 97 TYR H H 1 8.088 . . . . . . . . 97 TYR H . 52913 13 180 . 1 . 1 97 97 TYR N N 15 122.755 . . . . . . . . 97 TYR N . 52913 13 181 . 1 . 1 99 99 GLY H H 1 7.902 . . . . . . . . 99 GLY H . 52913 13 182 . 1 . 1 99 99 GLY N N 15 108.612 . . . . . . . . 99 GLY N . 52913 13 183 . 1 . 1 100 100 TYR H H 1 7.922 . . . . . . . . 100 TYR H . 52913 13 184 . 1 . 1 100 100 TYR N N 15 120.047 . . . . . . . . 100 TYR N . 52913 13 185 . 1 . 1 101 101 GLY H H 1 8.351 . . . . . . . . 101 GLY H . 52913 13 186 . 1 . 1 101 101 GLY N N 15 111.07 . . . . . . . . 101 GLY N . 52913 13 187 . 1 . 1 102 102 GLN H H 1 8.09 . . . . . . . . 102 GLN H . 52913 13 188 . 1 . 1 102 102 GLN N N 15 119.566 . . . . . . . . 102 GLN N . 52913 13 189 . 1 . 1 103 103 GLN H H 1 8.41 . . . . . . . . 103 GLN H . 52913 13 190 . 1 . 1 103 103 GLN N N 15 122.685 . . . . . . . . 103 GLN N . 52913 13 191 . 1 . 1 105 105 ALA H H 1 8.37 . . . . . . . . 105 ALA H . 52913 13 192 . 1 . 1 105 105 ALA N N 15 125.547 . . . . . . . . 105 ALA N . 52913 13 193 . 1 . 1 107 107 SER H H 1 8.387 . . . . . . . . 107 SER H . 52913 13 194 . 1 . 1 107 107 SER N N 15 115.684 . . . . . . . . 107 SER N . 52913 13 195 . 1 . 1 108 108 SER H H 1 8.394 . . . . . . . . 108 SER H . 52913 13 196 . 1 . 1 108 108 SER N N 15 117.601 . . . . . . . . 108 SER N . 52913 13 197 . 1 . 1 109 109 THR H H 1 8.205 . . . . . . . . 109 THR H . 52913 13 198 . 1 . 1 109 109 THR N N 15 114.909 . . . . . . . . 109 THR N . 52913 13 199 . 1 . 1 110 110 SER H H 1 8.253 . . . . . . . . 110 SER H . 52913 13 200 . 1 . 1 110 110 SER N N 15 117.79 . . . . . . . . 110 SER N . 52913 13 201 . 1 . 1 111 111 GLY H H 1 8.352 . . . . . . . . 111 GLY H . 52913 13 202 . 1 . 1 111 111 GLY N N 15 110.778 . . . . . . . . 111 GLY N . 52913 13 203 . 1 . 1 112 112 SER H H 1 8.114 . . . . . . . . 112 SER H . 52913 13 204 . 1 . 1 112 112 SER N N 15 115.492 . . . . . . . . 112 SER N . 52913 13 205 . 1 . 1 113 113 TYR H H 1 8.26 . . . . . . . . 113 TYR H . 52913 13 206 . 1 . 1 113 113 TYR N N 15 122.261 . . . . . . . . 113 TYR N . 52913 13 207 . 1 . 1 114 114 GLY H H 1 8.293 . . . . . . . . 114 GLY H . 52913 13 208 . 1 . 1 114 114 GLY N N 15 110.662 . . . . . . . . 114 GLY N . 52913 13 209 . 1 . 1 115 115 SER H H 1 8.183 . . . . . . . . 115 SER H . 52913 13 210 . 1 . 1 115 115 SER N N 15 115.638 . . . . . . . . 115 SER N . 52913 13 211 . 1 . 1 116 116 SER H H 1 8.427 . . . . . . . . 116 SER H . 52913 13 212 . 1 . 1 116 116 SER N N 15 117.699 . . . . . . . . 116 SER N . 52913 13 213 . 1 . 1 117 117 SER H H 1 8.33 . . . . . . . . 117 SER H . 52913 13 214 . 1 . 1 117 117 SER N N 15 117.686 . . . . . . . . 117 SER N . 52913 13 215 . 1 . 1 118 118 GLN H H 1 8.327 . . . . . . . . 118 GLN H . 52913 13 216 . 1 . 1 118 118 GLN N N 15 121.868 . . . . . . . . 118 GLN N . 52913 13 217 . 1 . 1 119 119 SER H H 1 8.292 . . . . . . . . 119 SER H . 52913 13 218 . 1 . 1 119 119 SER N N 15 116.608 . . . . . . . . 119 SER N . 52913 13 219 . 1 . 1 120 120 SER H H 1 8.33 . . . . . . . . 120 SER H . 52913 13 220 . 1 . 1 120 120 SER N N 15 117.614 . . . . . . . . 120 SER N . 52913 13 221 . 1 . 1 121 121 SER H H 1 8.245 . . . . . . . . 121 SER H . 52913 13 222 . 1 . 1 121 121 SER N N 15 117.409 . . . . . . . . 121 SER N . 52913 13 223 . 1 . 1 122 122 TYR H H 1 8.086 . . . . . . . . 122 TYR H . 52913 13 224 . 1 . 1 122 122 TYR N N 15 121.921 . . . . . . . . 122 TYR N . 52913 13 225 . 1 . 1 123 123 GLY H H 1 8.225 . . . . . . . . 123 GLY H . 52913 13 226 . 1 . 1 123 123 GLY N N 15 110.657 . . . . . . . . 123 GLY N . 52913 13 227 . 1 . 1 124 124 GLN H H 1 8.068 . . . . . . . . 124 GLN H . 52913 13 228 . 1 . 1 124 124 GLN N N 15 120.486 . . . . . . . . 124 GLN N . 52913 13 229 . 1 . 1 126 126 GLN H H 1 8.555 . . . . . . . . 126 GLN H . 52913 13 230 . 1 . 1 126 126 GLN N N 15 120.686 . . . . . . . . 126 GLN N . 52913 13 231 . 1 . 1 127 127 SER H H 1 8.361 . . . . . . . . 127 SER H . 52913 13 232 . 1 . 1 127 127 SER N N 15 116.824 . . . . . . . . 127 SER N . 52913 13 233 . 1 . 1 128 128 GLY H H 1 8.416 . . . . . . . . 128 GLY H . 52913 13 234 . 1 . 1 128 128 GLY N N 15 110.768 . . . . . . . . 128 GLY N . 52913 13 235 . 1 . 1 129 129 SER H H 1 8.129 . . . . . . . . 129 SER H . 52913 13 236 . 1 . 1 129 129 SER N N 15 115.431 . . . . . . . . 129 SER N . 52913 13 237 . 1 . 1 131 131 SER H H 1 8.123 . . . . . . . . 131 SER H . 52913 13 238 . 1 . 1 131 131 SER N N 15 117.075 . . . . . . . . 131 SER N . 52913 13 239 . 1 . 1 132 132 GLN H H 1 8.241 . . . . . . . . 132 GLN H . 52913 13 240 . 1 . 1 132 132 GLN N N 15 121.873 . . . . . . . . 132 GLN N . 52913 13 241 . 1 . 1 133 133 GLN H H 1 8.315 . . . . . . . . 133 GLN H . 52913 13 242 . 1 . 1 133 133 GLN N N 15 122.469 . . . . . . . . 133 GLN N . 52913 13 243 . 1 . 1 135 135 SER H H 1 8.287 . . . . . . . . 135 SER H . 52913 13 244 . 1 . 1 135 135 SER N N 15 115.529 . . . . . . . . 135 SER N . 52913 13 245 . 1 . 1 136 136 TYR H H 1 8.195 . . . . . . . . 136 TYR H . 52913 13 246 . 1 . 1 136 136 TYR N N 15 122.108 . . . . . . . . 136 TYR N . 52913 13 247 . 1 . 1 137 137 GLY H H 1 8.338 . . . . . . . . 137 GLY H . 52913 13 248 . 1 . 1 137 137 GLY N N 15 110.817 . . . . . . . . 137 GLY N . 52913 13 249 . 1 . 1 138 138 GLY H H 1 7.954 . . . . . . . . 138 GLY H . 52913 13 250 . 1 . 1 138 138 GLY N N 15 108.302 . . . . . . . . 138 GLY N . 52913 13 251 . 1 . 1 139 139 GLN H H 1 8.273 . . . . . . . . 139 GLN H . 52913 13 252 . 1 . 1 139 139 GLN N N 15 119.694 . . . . . . . . 139 GLN N . 52913 13 253 . 1 . 1 140 140 GLN H H 1 8.47 . . . . . . . . 140 GLN H . 52913 13 254 . 1 . 1 140 140 GLN N N 15 121.453 . . . . . . . . 140 GLN N . 52913 13 255 . 1 . 1 141 141 GLN H H 1 8.407 . . . . . . . . 141 GLN H . 52913 13 256 . 1 . 1 141 141 GLN N N 15 121.461 . . . . . . . . 141 GLN N . 52913 13 257 . 1 . 1 142 142 SER H H 1 8.262 . . . . . . . . 142 SER H . 52913 13 258 . 1 . 1 142 142 SER N N 15 116.68 . . . . . . . . 142 SER N . 52913 13 259 . 1 . 1 143 143 TYR H H 1 8.227 . . . . . . . . 143 TYR H . 52913 13 260 . 1 . 1 143 143 TYR N N 15 122.107 . . . . . . . . 143 TYR N . 52913 13 261 . 1 . 1 144 144 GLY H H 1 8.315 . . . . . . . . 144 GLY H . 52913 13 262 . 1 . 1 144 144 GLY N N 15 110.264 . . . . . . . . 144 GLY N . 52913 13 263 . 1 . 1 145 145 GLN H H 1 8.175 . . . . . . . . 145 GLN H . 52913 13 264 . 1 . 1 145 145 GLN N N 15 119.738 . . . . . . . . 145 GLN N . 52913 13 265 . 1 . 1 146 146 GLN H H 1 8.448 . . . . . . . . 146 GLN H . 52913 13 266 . 1 . 1 146 146 GLN N N 15 121.33 . . . . . . . . 146 GLN N . 52913 13 267 . 1 . 1 147 147 GLN H H 1 8.416 . . . . . . . . 147 GLN H . 52913 13 268 . 1 . 1 147 147 GLN N N 15 121.416 . . . . . . . . 147 GLN N . 52913 13 269 . 1 . 1 148 148 SER H H 1 8.267 . . . . . . . . 148 SER H . 52913 13 270 . 1 . 1 148 148 SER N N 15 116.77 . . . . . . . . 148 SER N . 52913 13 271 . 1 . 1 149 149 TYR H H 1 8.195 . . . . . . . . 149 TYR H . 52913 13 272 . 1 . 1 149 149 TYR N N 15 122.387 . . . . . . . . 149 TYR N . 52913 13 273 . 1 . 1 150 150 ASN H H 1 8.219 . . . . . . . . 150 ASN H . 52913 13 274 . 1 . 1 150 150 ASN N N 15 123.155 . . . . . . . . 150 ASN N . 52913 13 275 . 1 . 1 153 153 GLN H H 1 8.448 . . . . . . . . 153 GLN H . 52913 13 276 . 1 . 1 153 153 GLN N N 15 120.028 . . . . . . . . 153 GLN N . 52913 13 277 . 1 . 1 154 154 GLY H H 1 8.347 . . . . . . . . 154 GLY H . 52913 13 278 . 1 . 1 154 154 GLY N N 15 110.002 . . . . . . . . 154 GLY N . 52913 13 279 . 1 . 1 155 155 TYR H H 1 8.112 . . . . . . . . 155 TYR H . 52913 13 280 . 1 . 1 155 155 TYR N N 15 120.054 . . . . . . . . 155 TYR N . 52913 13 281 . 1 . 1 156 156 GLY H H 1 8.394 . . . . . . . . 156 GLY H . 52913 13 282 . 1 . 1 156 156 GLY N N 15 110.883 . . . . . . . . 156 GLY N . 52913 13 283 . 1 . 1 157 157 GLN H H 1 8.173 . . . . . . . . 157 GLN H . 52913 13 284 . 1 . 1 157 157 GLN N N 15 119.672 . . . . . . . . 157 GLN N . 52913 13 285 . 1 . 1 158 158 GLN H H 1 8.471 . . . . . . . . 158 GLN H . 52913 13 286 . 1 . 1 158 158 GLN N N 15 121.003 . . . . . . . . 158 GLN N . 52913 13 287 . 1 . 1 159 159 ASN H H 1 8.444 . . . . . . . . 159 ASN H . 52913 13 288 . 1 . 1 159 159 ASN N N 15 119.518 . . . . . . . . 159 ASN N . 52913 13 289 . 1 . 1 160 160 GLN H H 1 8.293 . . . . . . . . 160 GLN H . 52913 13 290 . 1 . 1 160 160 GLN N N 15 120.162 . . . . . . . . 160 GLN N . 52913 13 291 . 1 . 1 161 161 TYR H H 1 8.198 . . . . . . . . 161 TYR H . 52913 13 292 . 1 . 1 161 161 TYR N N 15 120.511 . . . . . . . . 161 TYR N . 52913 13 293 . 1 . 1 162 162 ASN H H 1 8.282 . . . . . . . . 162 ASN H . 52913 13 294 . 1 . 1 162 162 ASN N N 15 120.526 . . . . . . . . 162 ASN N . 52913 13 295 . 1 . 1 163 163 SER H H 1 7.844 . . . . . . . . 163 SER H . 52913 13 296 . 1 . 1 163 163 SER N N 15 121.372 . . . . . . . . 163 SER N . 52913 13 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_14 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_14 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 14 _Assigned_chem_shift_list.Name 'FUS LC NoDiol 2' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 14 '2D 1H-15N HSQC' . . . 52913 14 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 14 na 'all 15N' . -0.0024771819802792 . 52913 14 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 14 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.544 . . . . . . . . 2 ALA H . 52913 14 2 . 1 . 1 2 2 ALA N N 15 125.838 . . . . . . . . 2 ALA N . 52913 14 3 . 1 . 1 3 3 SER H H 1 8.288 . . . . . . . . 3 SER H . 52913 14 4 . 1 . 1 3 3 SER N N 15 115.069 . . . . . . . . 3 SER N . 52913 14 5 . 1 . 1 4 4 ASN H H 1 8.41 . . . . . . . . 4 ASN H . 52913 14 6 . 1 . 1 4 4 ASN N N 15 120.333 . . . . . . . . 4 ASN N . 52913 14 7 . 1 . 1 5 5 ASP H H 1 8.154 . . . . . . . . 5 ASP H . 52913 14 8 . 1 . 1 5 5 ASP N N 15 120.119 . . . . . . . . 5 ASP N . 52913 14 9 . 1 . 1 6 6 TYR H H 1 8.172 . . . . . . . . 6 TYR H . 52913 14 10 . 1 . 1 6 6 TYR N N 15 121 . . . . . . . . 6 TYR N . 52913 14 11 . 1 . 1 7 7 THR H H 1 8.052 . . . . . . . . 7 THR H . 52913 14 12 . 1 . 1 7 7 THR N N 15 115.2 . . . . . . . . 7 THR N . 52913 14 13 . 1 . 1 8 8 GLN H H 1 8.193 . . . . . . . . 8 GLN H . 52913 14 14 . 1 . 1 8 8 GLN N N 15 122.086 . . . . . . . . 8 GLN N . 52913 14 15 . 1 . 1 9 9 GLN H H 1 8.27 . . . . . . . . 9 GLN H . 52913 14 16 . 1 . 1 9 9 GLN N N 15 121.138 . . . . . . . . 9 GLN N . 52913 14 17 . 1 . 1 10 10 ALA H H 1 8.343 . . . . . . . . 10 ALA H . 52913 14 18 . 1 . 1 10 10 ALA N N 15 124.978 . . . . . . . . 10 ALA N . 52913 14 19 . 1 . 1 11 11 THR H H 1 8.066 . . . . . . . . 11 THR H . 52913 14 20 . 1 . 1 11 11 THR N N 15 113.015 . . . . . . . . 11 THR N . 52913 14 21 . 1 . 1 12 12 GLN H H 1 8.288 . . . . . . . . 12 GLN H . 52913 14 22 . 1 . 1 12 12 GLN N N 15 122.305 . . . . . . . . 12 GLN N . 52913 14 23 . 1 . 1 13 13 SER H H 1 8.245 . . . . . . . . 13 SER H . 52913 14 24 . 1 . 1 13 13 SER N N 15 116.813 . . . . . . . . 13 SER N . 52913 14 25 . 1 . 1 14 14 TYR H H 1 8.201 . . . . . . . . 14 TYR H . 52913 14 26 . 1 . 1 14 14 TYR N N 15 122.125 . . . . . . . . 14 TYR N . 52913 14 27 . 1 . 1 15 15 GLY H H 1 8.215 . . . . . . . . 15 GLY H . 52913 14 28 . 1 . 1 15 15 GLY N N 15 110.389 . . . . . . . . 15 GLY N . 52913 14 29 . 1 . 1 16 16 ALA H H 1 7.937 . . . . . . . . 16 ALA H . 52913 14 30 . 1 . 1 16 16 ALA N N 15 123.322 . . . . . . . . 16 ALA N . 52913 14 31 . 1 . 1 17 17 TYR H H 1 8.055 . . . . . . . . 17 TYR H . 52913 14 32 . 1 . 1 17 17 TYR N N 15 120.181 . . . . . . . . 17 TYR N . 52913 14 33 . 1 . 1 19 19 THR H H 1 8.133 . . . . . . . . 19 THR H . 52913 14 34 . 1 . 1 19 19 THR N N 15 114.176 . . . . . . . . 19 THR N . 52913 14 35 . 1 . 1 20 20 GLN H H 1 8.291 . . . . . . . . 20 GLN H . 52913 14 36 . 1 . 1 20 20 GLN N N 15 123.232 . . . . . . . . 20 GLN N . 52913 14 37 . 1 . 1 22 22 GLY H H 1 8.491 . . . . . . . . 22 GLY H . 52913 14 38 . 1 . 1 22 22 GLY N N 15 109.539 . . . . . . . . 22 GLY N . 52913 14 39 . 1 . 1 23 23 GLN H H 1 8.155 . . . . . . . . 23 GLN H . 52913 14 40 . 1 . 1 23 23 GLN N N 15 119.433 . . . . . . . . 23 GLN N . 52913 14 41 . 1 . 1 24 24 GLY H H 1 8.421 . . . . . . . . 24 GLY H . 52913 14 42 . 1 . 1 24 24 GLY N N 15 109.764 . . . . . . . . 24 GLY N . 52913 14 43 . 1 . 1 25 25 TYR H H 1 8.039 . . . . . . . . 25 TYR H . 52913 14 44 . 1 . 1 25 25 TYR N N 15 120.137 . . . . . . . . 25 TYR N . 52913 14 45 . 1 . 1 26 26 SER H H 1 8.224 . . . . . . . . 26 SER H . 52913 14 46 . 1 . 1 26 26 SER N N 15 117.545 . . . . . . . . 26 SER N . 52913 14 47 . 1 . 1 27 27 GLN H H 1 8.359 . . . . . . . . 27 GLN H . 52913 14 48 . 1 . 1 27 27 GLN N N 15 122.231 . . . . . . . . 27 GLN N . 52913 14 49 . 1 . 1 28 28 GLN H H 1 8.361 . . . . . . . . 28 GLN H . 52913 14 50 . 1 . 1 28 28 GLN N N 15 121.051 . . . . . . . . 28 GLN N . 52913 14 51 . 1 . 1 29 29 SER H H 1 8.303 . . . . . . . . 29 SER H . 52913 14 52 . 1 . 1 29 29 SER N N 15 116.66 . . . . . . . . 29 SER N . 52913 14 53 . 1 . 1 30 30 SER H H 1 8.3 . . . . . . . . 30 SER H . 52913 14 54 . 1 . 1 30 30 SER N N 15 117.476 . . . . . . . . 30 SER N . 52913 14 55 . 1 . 1 31 31 GLN H H 1 8.227 . . . . . . . . 31 GLN H . 52913 14 56 . 1 . 1 31 31 GLN N N 15 122.335 . . . . . . . . 31 GLN N . 52913 14 57 . 1 . 1 33 33 TYR H H 1 8.159 . . . . . . . . 33 TYR H . 52913 14 58 . 1 . 1 33 33 TYR N N 15 120.017 . . . . . . . . 33 TYR N . 52913 14 59 . 1 . 1 34 34 GLY H H 1 8.204 . . . . . . . . 34 GLY H . 52913 14 60 . 1 . 1 34 34 GLY N N 15 110.593 . . . . . . . . 34 GLY N . 52913 14 61 . 1 . 1 35 35 GLN H H 1 8.14 . . . . . . . . 35 GLN H . 52913 14 62 . 1 . 1 35 35 GLN N N 15 119.728 . . . . . . . . 35 GLN N . 52913 14 63 . 1 . 1 36 36 GLN H H 1 8.426 . . . . . . . . 36 GLN H . 52913 14 64 . 1 . 1 36 36 GLN N N 15 121.329 . . . . . . . . 36 GLN N . 52913 14 65 . 1 . 1 37 37 SER H H 1 8.256 . . . . . . . . 37 SER H . 52913 14 66 . 1 . 1 37 37 SER N N 15 116.573 . . . . . . . . 37 SER N . 52913 14 67 . 1 . 1 38 38 TYR H H 1 8.221 . . . . . . . . 38 TYR H . 52913 14 68 . 1 . 1 38 38 TYR N N 15 122.262 . . . . . . . . 38 TYR N . 52913 14 69 . 1 . 1 39 39 SER H H 1 8.254 . . . . . . . . 39 SER H . 52913 14 70 . 1 . 1 39 39 SER N N 15 117.849 . . . . . . . . 39 SER N . 52913 14 71 . 1 . 1 40 40 GLY H H 1 7.815 . . . . . . . . 40 GLY H . 52913 14 72 . 1 . 1 40 40 GLY N N 15 110.126 . . . . . . . . 40 GLY N . 52913 14 73 . 1 . 1 41 41 TYR H H 1 7.968 . . . . . . . . 41 TYR H . 52913 14 74 . 1 . 1 41 41 TYR N N 15 119.979 . . . . . . . . 41 TYR N . 52913 14 75 . 1 . 1 42 42 SER H H 1 8.183 . . . . . . . . 42 SER H . 52913 14 76 . 1 . 1 42 42 SER N N 15 117.781 . . . . . . . . 42 SER N . 52913 14 77 . 1 . 1 43 43 GLN H H 1 8.339 . . . . . . . . 43 GLN H . 52913 14 78 . 1 . 1 43 43 GLN N N 15 122.278 . . . . . . . . 43 GLN N . 52913 14 79 . 1 . 1 44 44 SER H H 1 8.347 . . . . . . . . 44 SER H . 52913 14 80 . 1 . 1 44 44 SER N N 15 116.716 . . . . . . . . 44 SER N . 52913 14 81 . 1 . 1 45 45 THR H H 1 8.168 . . . . . . . . 45 THR H . 52913 14 82 . 1 . 1 45 45 THR N N 15 115.331 . . . . . . . . 45 THR N . 52913 14 83 . 1 . 1 46 46 ASP H H 1 8.32 . . . . . . . . 46 ASP H . 52913 14 84 . 1 . 1 46 46 ASP N N 15 122.646 . . . . . . . . 46 ASP N . 52913 14 85 . 1 . 1 47 47 THR H H 1 8.209 . . . . . . . . 47 THR H . 52913 14 86 . 1 . 1 47 47 THR N N 15 114.491 . . . . . . . . 47 THR N . 52913 14 87 . 1 . 1 48 48 SER H H 1 8.366 . . . . . . . . 48 SER H . 52913 14 88 . 1 . 1 48 48 SER N N 15 118.198 . . . . . . . . 48 SER N . 52913 14 89 . 1 . 1 49 49 GLY H H 1 8.314 . . . . . . . . 49 GLY H . 52913 14 90 . 1 . 1 49 49 GLY N N 15 110.324 . . . . . . . . 49 GLY N . 52913 14 91 . 1 . 1 50 50 TYR H H 1 8.048 . . . . . . . . 50 TYR H . 52913 14 92 . 1 . 1 50 50 TYR N N 15 120.116 . . . . . . . . 50 TYR N . 52913 14 93 . 1 . 1 51 51 GLY H H 1 8.355 . . . . . . . . 51 GLY H . 52913 14 94 . 1 . 1 51 51 GLY N N 15 110.747 . . . . . . . . 51 GLY N . 52913 14 95 . 1 . 1 52 52 GLN H H 1 8.147 . . . . . . . . 52 GLN H . 52913 14 96 . 1 . 1 52 52 GLN N N 15 119.731 . . . . . . . . 52 GLN N . 52913 14 97 . 1 . 1 53 53 SER H H 1 8.389 . . . . . . . . 53 SER H . 52913 14 98 . 1 . 1 53 53 SER N N 15 116.7 . . . . . . . . 53 SER N . 52913 14 99 . 1 . 1 54 54 SER H H 1 8.268 . . . . . . . . 54 SER H . 52913 14 100 . 1 . 1 54 54 SER N N 15 117.402 . . . . . . . . 54 SER N . 52913 14 101 . 1 . 1 55 55 TYR H H 1 8.113 . . . . . . . . 55 TYR H . 52913 14 102 . 1 . 1 55 55 TYR N N 15 121.769 . . . . . . . . 55 TYR N . 52913 14 103 . 1 . 1 56 56 SER H H 1 8.09 . . . . . . . . 56 SER H . 52913 14 104 . 1 . 1 56 56 SER N N 15 116.986 . . . . . . . . 56 SER N . 52913 14 105 . 1 . 1 57 57 SER H H 1 8.191 . . . . . . . . 57 SER H . 52913 14 106 . 1 . 1 57 57 SER N N 15 117.7 . . . . . . . . 57 SER N . 52913 14 107 . 1 . 1 58 58 TYR H H 1 8.108 . . . . . . . . 58 TYR H . 52913 14 108 . 1 . 1 58 58 TYR N N 15 121.828 . . . . . . . . 58 TYR N . 52913 14 109 . 1 . 1 59 59 GLY H H 1 8.245 . . . . . . . . 59 GLY H . 52913 14 110 . 1 . 1 59 59 GLY N N 15 110.433 . . . . . . . . 59 GLY N . 52913 14 111 . 1 . 1 60 60 GLN H H 1 8.109 . . . . . . . . 60 GLN H . 52913 14 112 . 1 . 1 60 60 GLN N N 15 119.635 . . . . . . . . 60 GLN N . 52913 14 113 . 1 . 1 61 61 SER H H 1 8.355 . . . . . . . . 61 SER H . 52913 14 114 . 1 . 1 61 61 SER N N 15 116.76 . . . . . . . . 61 SER N . 52913 14 115 . 1 . 1 62 62 GLN H H 1 8.406 . . . . . . . . 62 GLN H . 52913 14 116 . 1 . 1 62 62 GLN N N 15 121.526 . . . . . . . . 62 GLN N . 52913 14 117 . 1 . 1 63 63 ASN H H 1 8.437 . . . . . . . . 63 ASN H . 52913 14 118 . 1 . 1 63 63 ASN N N 15 119.578 . . . . . . . . 63 ASN N . 52913 14 119 . 1 . 1 64 64 THR H H 1 8.118 . . . . . . . . 64 THR H . 52913 14 120 . 1 . 1 64 64 THR N N 15 113.736 . . . . . . . . 64 THR N . 52913 14 121 . 1 . 1 65 65 GLY H H 1 8.326 . . . . . . . . 65 GLY H . 52913 14 122 . 1 . 1 65 65 GLY N N 15 110.538 . . . . . . . . 65 GLY N . 52913 14 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 14 124 . 1 . 1 67 67 GLY N N 15 110.799 . . . . . . . . 67 GLY N . 52913 14 125 . 1 . 1 68 68 THR H H 1 8.048 . . . . . . . . 68 THR H . 52913 14 126 . 1 . 1 68 68 THR N N 15 113.461 . . . . . . . . 68 THR N . 52913 14 127 . 1 . 1 69 69 GLN H H 1 8.444 . . . . . . . . 69 GLN H . 52913 14 128 . 1 . 1 69 69 GLN N N 15 122.327 . . . . . . . . 69 GLN N . 52913 14 129 . 1 . 1 70 70 SER H H 1 8.344 . . . . . . . . 70 SER H . 52913 14 130 . 1 . 1 70 70 SER N N 15 117.077 . . . . . . . . 70 SER N . 52913 14 131 . 1 . 1 71 71 THR H H 1 8.137 . . . . . . . . 71 THR H . 52913 14 132 . 1 . 1 71 71 THR N N 15 117.54 . . . . . . . . 71 THR N . 52913 14 133 . 1 . 1 73 73 GLN H H 1 8.428 . . . . . . . . 73 GLN H . 52913 14 134 . 1 . 1 73 73 GLN N N 15 120.369 . . . . . . . . 73 GLN N . 52913 14 135 . 1 . 1 74 74 GLY H H 1 8.316 . . . . . . . . 74 GLY H . 52913 14 136 . 1 . 1 74 74 GLY N N 15 109.877 . . . . . . . . 74 GLY N . 52913 14 137 . 1 . 1 75 75 TYR H H 1 8.079 . . . . . . . . 75 TYR H . 52913 14 138 . 1 . 1 75 75 TYR N N 15 120.2 . . . . . . . . 75 TYR N . 52913 14 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 14 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 14 141 . 1 . 1 77 77 SER H H 1 8.196 . . . . . . . . 77 SER H . 52913 14 142 . 1 . 1 77 77 SER N N 15 115.633 . . . . . . . . 77 SER N . 52913 14 143 . 1 . 1 78 78 THR H H 1 8.232 . . . . . . . . 78 THR H . 52913 14 144 . 1 . 1 78 78 THR N N 15 114.839 . . . . . . . . 78 THR N . 52913 14 145 . 1 . 1 79 79 GLY H H 1 8.324 . . . . . . . . 79 GLY H . 52913 14 146 . 1 . 1 79 79 GLY N N 15 110.737 . . . . . . . . 79 GLY N . 52913 14 147 . 1 . 1 80 80 GLY H H 1 8.151 . . . . . . . . 80 GLY H . 52913 14 148 . 1 . 1 80 80 GLY N N 15 108.377 . . . . . . . . 80 GLY N . 52913 14 149 . 1 . 1 81 81 TYR H H 1 8.135 . . . . . . . . 81 TYR H . 52913 14 150 . 1 . 1 81 81 TYR N N 15 120.197 . . . . . . . . 81 TYR N . 52913 14 151 . 1 . 1 82 82 GLY H H 1 8.372 . . . . . . . . 82 GLY H . 52913 14 152 . 1 . 1 82 82 GLY N N 15 110.901 . . . . . . . . 82 GLY N . 52913 14 153 . 1 . 1 83 83 SER H H 1 8.157 . . . . . . . . 83 SER H . 52913 14 154 . 1 . 1 83 83 SER N N 15 115.566 . . . . . . . . 83 SER N . 52913 14 155 . 1 . 1 84 84 SER H H 1 8.411 . . . . . . . . 84 SER H . 52913 14 156 . 1 . 1 84 84 SER N N 15 117.627 . . . . . . . . 84 SER N . 52913 14 157 . 1 . 1 85 85 GLN H H 1 8.383 . . . . . . . . 85 GLN H . 52913 14 158 . 1 . 1 85 85 GLN N N 15 121.852 . . . . . . . . 85 GLN N . 52913 14 159 . 1 . 1 86 86 SER H H 1 8.296 . . . . . . . . 86 SER H . 52913 14 160 . 1 . 1 86 86 SER N N 15 116.541 . . . . . . . . 86 SER N . 52913 14 161 . 1 . 1 87 87 SER H H 1 8.331 . . . . . . . . 87 SER H . 52913 14 162 . 1 . 1 87 87 SER N N 15 117.498 . . . . . . . . 87 SER N . 52913 14 163 . 1 . 1 88 88 GLN H H 1 8.334 . . . . . . . . 88 GLN H . 52913 14 164 . 1 . 1 88 88 GLN N N 15 121.802 . . . . . . . . 88 GLN N . 52913 14 165 . 1 . 1 89 89 SER H H 1 8.276 . . . . . . . . 89 SER H . 52913 14 166 . 1 . 1 89 89 SER N N 15 116.514 . . . . . . . . 89 SER N . 52913 14 167 . 1 . 1 90 90 SER H H 1 8.235 . . . . . . . . 90 SER H . 52913 14 168 . 1 . 1 90 90 SER N N 15 117.498 . . . . . . . . 90 SER N . 52913 14 169 . 1 . 1 91 91 TYR H H 1 8.139 . . . . . . . . 91 TYR H . 52913 14 170 . 1 . 1 91 91 TYR N N 15 121.852 . . . . . . . . 91 TYR N . 52913 14 171 . 1 . 1 92 92 GLY H H 1 8.247 . . . . . . . . 92 GLY H . 52913 14 172 . 1 . 1 92 92 GLY N N 15 110.368 . . . . . . . . 92 GLY N . 52913 14 173 . 1 . 1 93 93 GLN H H 1 8.147 . . . . . . . . 93 GLN H . 52913 14 174 . 1 . 1 93 93 GLN N N 15 119.669 . . . . . . . . 93 GLN N . 52913 14 175 . 1 . 1 95 95 SER H H 1 8.304 . . . . . . . . 95 SER H . 52913 14 176 . 1 . 1 95 95 SER N N 15 116.6 . . . . . . . . 95 SER N . 52913 14 177 . 1 . 1 96 96 SER H H 1 8.154 . . . . . . . . 96 SER H . 52913 14 178 . 1 . 1 96 96 SER N N 15 117.07 . . . . . . . . 96 SER N . 52913 14 179 . 1 . 1 97 97 TYR H H 1 8.089 . . . . . . . . 97 TYR H . 52913 14 180 . 1 . 1 97 97 TYR N N 15 122.761 . . . . . . . . 97 TYR N . 52913 14 181 . 1 . 1 99 99 GLY H H 1 7.902 . . . . . . . . 99 GLY H . 52913 14 182 . 1 . 1 99 99 GLY N N 15 108.616 . . . . . . . . 99 GLY N . 52913 14 183 . 1 . 1 100 100 TYR H H 1 7.922 . . . . . . . . 100 TYR H . 52913 14 184 . 1 . 1 100 100 TYR N N 15 120.047 . . . . . . . . 100 TYR N . 52913 14 185 . 1 . 1 101 101 GLY H H 1 8.351 . . . . . . . . 101 GLY H . 52913 14 186 . 1 . 1 101 101 GLY N N 15 111.076 . . . . . . . . 101 GLY N . 52913 14 187 . 1 . 1 102 102 GLN H H 1 8.097 . . . . . . . . 102 GLN H . 52913 14 188 . 1 . 1 102 102 GLN N N 15 119.575 . . . . . . . . 102 GLN N . 52913 14 189 . 1 . 1 103 103 GLN H H 1 8.409 . . . . . . . . 103 GLN H . 52913 14 190 . 1 . 1 103 103 GLN N N 15 122.682 . . . . . . . . 103 GLN N . 52913 14 191 . 1 . 1 105 105 ALA H H 1 8.371 . . . . . . . . 105 ALA H . 52913 14 192 . 1 . 1 105 105 ALA N N 15 125.546 . . . . . . . . 105 ALA N . 52913 14 193 . 1 . 1 107 107 SER H H 1 8.388 . . . . . . . . 107 SER H . 52913 14 194 . 1 . 1 107 107 SER N N 15 115.681 . . . . . . . . 107 SER N . 52913 14 195 . 1 . 1 108 108 SER H H 1 8.395 . . . . . . . . 108 SER H . 52913 14 196 . 1 . 1 108 108 SER N N 15 117.605 . . . . . . . . 108 SER N . 52913 14 197 . 1 . 1 109 109 THR H H 1 8.204 . . . . . . . . 109 THR H . 52913 14 198 . 1 . 1 109 109 THR N N 15 114.895 . . . . . . . . 109 THR N . 52913 14 199 . 1 . 1 110 110 SER H H 1 8.253 . . . . . . . . 110 SER H . 52913 14 200 . 1 . 1 110 110 SER N N 15 117.79 . . . . . . . . 110 SER N . 52913 14 201 . 1 . 1 111 111 GLY H H 1 8.352 . . . . . . . . 111 GLY H . 52913 14 202 . 1 . 1 111 111 GLY N N 15 110.778 . . . . . . . . 111 GLY N . 52913 14 203 . 1 . 1 112 112 SER H H 1 8.113 . . . . . . . . 112 SER H . 52913 14 204 . 1 . 1 112 112 SER N N 15 115.495 . . . . . . . . 112 SER N . 52913 14 205 . 1 . 1 113 113 TYR H H 1 8.259 . . . . . . . . 113 TYR H . 52913 14 206 . 1 . 1 113 113 TYR N N 15 122.263 . . . . . . . . 113 TYR N . 52913 14 207 . 1 . 1 114 114 GLY H H 1 8.293 . . . . . . . . 114 GLY H . 52913 14 208 . 1 . 1 114 114 GLY N N 15 110.658 . . . . . . . . 114 GLY N . 52913 14 209 . 1 . 1 115 115 SER H H 1 8.183 . . . . . . . . 115 SER H . 52913 14 210 . 1 . 1 115 115 SER N N 15 115.638 . . . . . . . . 115 SER N . 52913 14 211 . 1 . 1 116 116 SER H H 1 8.426 . . . . . . . . 116 SER H . 52913 14 212 . 1 . 1 116 116 SER N N 15 117.697 . . . . . . . . 116 SER N . 52913 14 213 . 1 . 1 117 117 SER H H 1 8.33 . . . . . . . . 117 SER H . 52913 14 214 . 1 . 1 117 117 SER N N 15 117.686 . . . . . . . . 117 SER N . 52913 14 215 . 1 . 1 118 118 GLN H H 1 8.327 . . . . . . . . 118 GLN H . 52913 14 216 . 1 . 1 118 118 GLN N N 15 121.868 . . . . . . . . 118 GLN N . 52913 14 217 . 1 . 1 119 119 SER H H 1 8.292 . . . . . . . . 119 SER H . 52913 14 218 . 1 . 1 119 119 SER N N 15 116.608 . . . . . . . . 119 SER N . 52913 14 219 . 1 . 1 120 120 SER H H 1 8.33 . . . . . . . . 120 SER H . 52913 14 220 . 1 . 1 120 120 SER N N 15 117.614 . . . . . . . . 120 SER N . 52913 14 221 . 1 . 1 121 121 SER H H 1 8.245 . . . . . . . . 121 SER H . 52913 14 222 . 1 . 1 121 121 SER N N 15 117.409 . . . . . . . . 121 SER N . 52913 14 223 . 1 . 1 122 122 TYR H H 1 8.086 . . . . . . . . 122 TYR H . 52913 14 224 . 1 . 1 122 122 TYR N N 15 121.92 . . . . . . . . 122 TYR N . 52913 14 225 . 1 . 1 123 123 GLY H H 1 8.227 . . . . . . . . 123 GLY H . 52913 14 226 . 1 . 1 123 123 GLY N N 15 110.653 . . . . . . . . 123 GLY N . 52913 14 227 . 1 . 1 124 124 GLN H H 1 8.069 . . . . . . . . 124 GLN H . 52913 14 228 . 1 . 1 124 124 GLN N N 15 120.486 . . . . . . . . 124 GLN N . 52913 14 229 . 1 . 1 126 126 GLN H H 1 8.555 . . . . . . . . 126 GLN H . 52913 14 230 . 1 . 1 126 126 GLN N N 15 120.687 . . . . . . . . 126 GLN N . 52913 14 231 . 1 . 1 127 127 SER H H 1 8.361 . . . . . . . . 127 SER H . 52913 14 232 . 1 . 1 127 127 SER N N 15 116.824 . . . . . . . . 127 SER N . 52913 14 233 . 1 . 1 128 128 GLY H H 1 8.419 . . . . . . . . 128 GLY H . 52913 14 234 . 1 . 1 128 128 GLY N N 15 110.775 . . . . . . . . 128 GLY N . 52913 14 235 . 1 . 1 129 129 SER H H 1 8.128 . . . . . . . . 129 SER H . 52913 14 236 . 1 . 1 129 129 SER N N 15 115.434 . . . . . . . . 129 SER N . 52913 14 237 . 1 . 1 131 131 SER H H 1 8.123 . . . . . . . . 131 SER H . 52913 14 238 . 1 . 1 131 131 SER N N 15 117.079 . . . . . . . . 131 SER N . 52913 14 239 . 1 . 1 132 132 GLN H H 1 8.242 . . . . . . . . 132 GLN H . 52913 14 240 . 1 . 1 132 132 GLN N N 15 121.869 . . . . . . . . 132 GLN N . 52913 14 241 . 1 . 1 133 133 GLN H H 1 8.315 . . . . . . . . 133 GLN H . 52913 14 242 . 1 . 1 133 133 GLN N N 15 122.466 . . . . . . . . 133 GLN N . 52913 14 243 . 1 . 1 135 135 SER H H 1 8.286 . . . . . . . . 135 SER H . 52913 14 244 . 1 . 1 135 135 SER N N 15 115.524 . . . . . . . . 135 SER N . 52913 14 245 . 1 . 1 136 136 TYR H H 1 8.195 . . . . . . . . 136 TYR H . 52913 14 246 . 1 . 1 136 136 TYR N N 15 122.108 . . . . . . . . 136 TYR N . 52913 14 247 . 1 . 1 137 137 GLY H H 1 8.338 . . . . . . . . 137 GLY H . 52913 14 248 . 1 . 1 137 137 GLY N N 15 110.817 . . . . . . . . 137 GLY N . 52913 14 249 . 1 . 1 138 138 GLY H H 1 7.952 . . . . . . . . 138 GLY H . 52913 14 250 . 1 . 1 138 138 GLY N N 15 108.308 . . . . . . . . 138 GLY N . 52913 14 251 . 1 . 1 139 139 GLN H H 1 8.274 . . . . . . . . 139 GLN H . 52913 14 252 . 1 . 1 139 139 GLN N N 15 119.691 . . . . . . . . 139 GLN N . 52913 14 253 . 1 . 1 140 140 GLN H H 1 8.47 . . . . . . . . 140 GLN H . 52913 14 254 . 1 . 1 140 140 GLN N N 15 121.453 . . . . . . . . 140 GLN N . 52913 14 255 . 1 . 1 141 141 GLN H H 1 8.406 . . . . . . . . 141 GLN H . 52913 14 256 . 1 . 1 141 141 GLN N N 15 121.441 . . . . . . . . 141 GLN N . 52913 14 257 . 1 . 1 142 142 SER H H 1 8.262 . . . . . . . . 142 SER H . 52913 14 258 . 1 . 1 142 142 SER N N 15 116.68 . . . . . . . . 142 SER N . 52913 14 259 . 1 . 1 143 143 TYR H H 1 8.228 . . . . . . . . 143 TYR H . 52913 14 260 . 1 . 1 143 143 TYR N N 15 122.113 . . . . . . . . 143 TYR N . 52913 14 261 . 1 . 1 144 144 GLY H H 1 8.315 . . . . . . . . 144 GLY H . 52913 14 262 . 1 . 1 144 144 GLY N N 15 110.264 . . . . . . . . 144 GLY N . 52913 14 263 . 1 . 1 145 145 GLN H H 1 8.175 . . . . . . . . 145 GLN H . 52913 14 264 . 1 . 1 145 145 GLN N N 15 119.738 . . . . . . . . 145 GLN N . 52913 14 265 . 1 . 1 146 146 GLN H H 1 8.448 . . . . . . . . 146 GLN H . 52913 14 266 . 1 . 1 146 146 GLN N N 15 121.335 . . . . . . . . 146 GLN N . 52913 14 267 . 1 . 1 147 147 GLN H H 1 8.416 . . . . . . . . 147 GLN H . 52913 14 268 . 1 . 1 147 147 GLN N N 15 121.416 . . . . . . . . 147 GLN N . 52913 14 269 . 1 . 1 148 148 SER H H 1 8.267 . . . . . . . . 148 SER H . 52913 14 270 . 1 . 1 148 148 SER N N 15 116.77 . . . . . . . . 148 SER N . 52913 14 271 . 1 . 1 149 149 TYR H H 1 8.195 . . . . . . . . 149 TYR H . 52913 14 272 . 1 . 1 149 149 TYR N N 15 122.384 . . . . . . . . 149 TYR N . 52913 14 273 . 1 . 1 150 150 ASN H H 1 8.216 . . . . . . . . 150 ASN H . 52913 14 274 . 1 . 1 150 150 ASN N N 15 123.157 . . . . . . . . 150 ASN N . 52913 14 275 . 1 . 1 153 153 GLN H H 1 8.449 . . . . . . . . 153 GLN H . 52913 14 276 . 1 . 1 153 153 GLN N N 15 120.029 . . . . . . . . 153 GLN N . 52913 14 277 . 1 . 1 154 154 GLY H H 1 8.347 . . . . . . . . 154 GLY H . 52913 14 278 . 1 . 1 154 154 GLY N N 15 110.005 . . . . . . . . 154 GLY N . 52913 14 279 . 1 . 1 155 155 TYR H H 1 8.112 . . . . . . . . 155 TYR H . 52913 14 280 . 1 . 1 155 155 TYR N N 15 120.051 . . . . . . . . 155 TYR N . 52913 14 281 . 1 . 1 156 156 GLY H H 1 8.392 . . . . . . . . 156 GLY H . 52913 14 282 . 1 . 1 156 156 GLY N N 15 110.877 . . . . . . . . 156 GLY N . 52913 14 283 . 1 . 1 157 157 GLN H H 1 8.173 . . . . . . . . 157 GLN H . 52913 14 284 . 1 . 1 157 157 GLN N N 15 119.672 . . . . . . . . 157 GLN N . 52913 14 285 . 1 . 1 158 158 GLN H H 1 8.472 . . . . . . . . 158 GLN H . 52913 14 286 . 1 . 1 158 158 GLN N N 15 121.003 . . . . . . . . 158 GLN N . 52913 14 287 . 1 . 1 159 159 ASN H H 1 8.444 . . . . . . . . 159 ASN H . 52913 14 288 . 1 . 1 159 159 ASN N N 15 119.518 . . . . . . . . 159 ASN N . 52913 14 289 . 1 . 1 160 160 GLN H H 1 8.294 . . . . . . . . 160 GLN H . 52913 14 290 . 1 . 1 160 160 GLN N N 15 120.169 . . . . . . . . 160 GLN N . 52913 14 291 . 1 . 1 161 161 TYR H H 1 8.199 . . . . . . . . 161 TYR H . 52913 14 292 . 1 . 1 161 161 TYR N N 15 120.513 . . . . . . . . 161 TYR N . 52913 14 293 . 1 . 1 162 162 ASN H H 1 8.283 . . . . . . . . 162 ASN H . 52913 14 294 . 1 . 1 162 162 ASN N N 15 120.531 . . . . . . . . 162 ASN N . 52913 14 295 . 1 . 1 163 163 SER H H 1 7.843 . . . . . . . . 163 SER H . 52913 14 296 . 1 . 1 163 163 SER N N 15 121.374 . . . . . . . . 163 SER N . 52913 14 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_15 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_15 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 15 _Assigned_chem_shift_list.Name 'FUS LC NoDiol 3' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 15 '2D 1H-15N HSQC' . . . 52913 15 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 15 na 'all 15N' . -0.0024771819802792 . 52913 15 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 15 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.542 . . . . . . . . 2 ALA H . 52913 15 2 . 1 . 1 2 2 ALA N N 15 125.833 . . . . . . . . 2 ALA N . 52913 15 3 . 1 . 1 3 3 SER H H 1 8.287 . . . . . . . . 3 SER H . 52913 15 4 . 1 . 1 3 3 SER N N 15 115.07 . . . . . . . . 3 SER N . 52913 15 5 . 1 . 1 4 4 ASN H H 1 8.407 . . . . . . . . 4 ASN H . 52913 15 6 . 1 . 1 4 4 ASN N N 15 120.333 . . . . . . . . 4 ASN N . 52913 15 7 . 1 . 1 5 5 ASP H H 1 8.153 . . . . . . . . 5 ASP H . 52913 15 8 . 1 . 1 5 5 ASP N N 15 120.089 . . . . . . . . 5 ASP N . 52913 15 9 . 1 . 1 6 6 TYR H H 1 8.17 . . . . . . . . 6 TYR H . 52913 15 10 . 1 . 1 6 6 TYR N N 15 120.998 . . . . . . . . 6 TYR N . 52913 15 11 . 1 . 1 7 7 THR H H 1 8.05 . . . . . . . . 7 THR H . 52913 15 12 . 1 . 1 7 7 THR N N 15 115.198 . . . . . . . . 7 THR N . 52913 15 13 . 1 . 1 8 8 GLN H H 1 8.193 . . . . . . . . 8 GLN H . 52913 15 14 . 1 . 1 8 8 GLN N N 15 122.086 . . . . . . . . 8 GLN N . 52913 15 15 . 1 . 1 9 9 GLN H H 1 8.269 . . . . . . . . 9 GLN H . 52913 15 16 . 1 . 1 9 9 GLN N N 15 121.14 . . . . . . . . 9 GLN N . 52913 15 17 . 1 . 1 10 10 ALA H H 1 8.341 . . . . . . . . 10 ALA H . 52913 15 18 . 1 . 1 10 10 ALA N N 15 124.974 . . . . . . . . 10 ALA N . 52913 15 19 . 1 . 1 11 11 THR H H 1 8.065 . . . . . . . . 11 THR H . 52913 15 20 . 1 . 1 11 11 THR N N 15 113.017 . . . . . . . . 11 THR N . 52913 15 21 . 1 . 1 12 12 GLN H H 1 8.286 . . . . . . . . 12 GLN H . 52913 15 22 . 1 . 1 12 12 GLN N N 15 122.305 . . . . . . . . 12 GLN N . 52913 15 23 . 1 . 1 13 13 SER H H 1 8.244 . . . . . . . . 13 SER H . 52913 15 24 . 1 . 1 13 13 SER N N 15 116.818 . . . . . . . . 13 SER N . 52913 15 25 . 1 . 1 14 14 TYR H H 1 8.201 . . . . . . . . 14 TYR H . 52913 15 26 . 1 . 1 14 14 TYR N N 15 122.125 . . . . . . . . 14 TYR N . 52913 15 27 . 1 . 1 15 15 GLY H H 1 8.214 . . . . . . . . 15 GLY H . 52913 15 28 . 1 . 1 15 15 GLY N N 15 110.406 . . . . . . . . 15 GLY N . 52913 15 29 . 1 . 1 16 16 ALA H H 1 7.936 . . . . . . . . 16 ALA H . 52913 15 30 . 1 . 1 16 16 ALA N N 15 123.316 . . . . . . . . 16 ALA N . 52913 15 31 . 1 . 1 17 17 TYR H H 1 8.055 . . . . . . . . 17 TYR H . 52913 15 32 . 1 . 1 17 17 TYR N N 15 120.181 . . . . . . . . 17 TYR N . 52913 15 33 . 1 . 1 19 19 THR H H 1 8.13 . . . . . . . . 19 THR H . 52913 15 34 . 1 . 1 19 19 THR N N 15 114.175 . . . . . . . . 19 THR N . 52913 15 35 . 1 . 1 20 20 GLN H H 1 8.289 . . . . . . . . 20 GLN H . 52913 15 36 . 1 . 1 20 20 GLN N N 15 123.234 . . . . . . . . 20 GLN N . 52913 15 37 . 1 . 1 22 22 GLY H H 1 8.489 . . . . . . . . 22 GLY H . 52913 15 38 . 1 . 1 22 22 GLY N N 15 109.535 . . . . . . . . 22 GLY N . 52913 15 39 . 1 . 1 23 23 GLN H H 1 8.155 . . . . . . . . 23 GLN H . 52913 15 40 . 1 . 1 23 23 GLN N N 15 119.43 . . . . . . . . 23 GLN N . 52913 15 41 . 1 . 1 24 24 GLY H H 1 8.42 . . . . . . . . 24 GLY H . 52913 15 42 . 1 . 1 24 24 GLY N N 15 109.762 . . . . . . . . 24 GLY N . 52913 15 43 . 1 . 1 25 25 TYR H H 1 8.039 . . . . . . . . 25 TYR H . 52913 15 44 . 1 . 1 25 25 TYR N N 15 120.137 . . . . . . . . 25 TYR N . 52913 15 45 . 1 . 1 26 26 SER H H 1 8.226 . . . . . . . . 26 SER H . 52913 15 46 . 1 . 1 26 26 SER N N 15 117.537 . . . . . . . . 26 SER N . 52913 15 47 . 1 . 1 27 27 GLN H H 1 8.357 . . . . . . . . 27 GLN H . 52913 15 48 . 1 . 1 27 27 GLN N N 15 122.234 . . . . . . . . 27 GLN N . 52913 15 49 . 1 . 1 28 28 GLN H H 1 8.36 . . . . . . . . 28 GLN H . 52913 15 50 . 1 . 1 28 28 GLN N N 15 121.05 . . . . . . . . 28 GLN N . 52913 15 51 . 1 . 1 29 29 SER H H 1 8.303 . . . . . . . . 29 SER H . 52913 15 52 . 1 . 1 29 29 SER N N 15 116.66 . . . . . . . . 29 SER N . 52913 15 53 . 1 . 1 30 30 SER H H 1 8.299 . . . . . . . . 30 SER H . 52913 15 54 . 1 . 1 30 30 SER N N 15 117.477 . . . . . . . . 30 SER N . 52913 15 55 . 1 . 1 31 31 GLN H H 1 8.227 . . . . . . . . 31 GLN H . 52913 15 56 . 1 . 1 31 31 GLN N N 15 122.335 . . . . . . . . 31 GLN N . 52913 15 57 . 1 . 1 33 33 TYR H H 1 8.159 . . . . . . . . 33 TYR H . 52913 15 58 . 1 . 1 33 33 TYR N N 15 120.017 . . . . . . . . 33 TYR N . 52913 15 59 . 1 . 1 34 34 GLY H H 1 8.203 . . . . . . . . 34 GLY H . 52913 15 60 . 1 . 1 34 34 GLY N N 15 110.591 . . . . . . . . 34 GLY N . 52913 15 61 . 1 . 1 35 35 GLN H H 1 8.14 . . . . . . . . 35 GLN H . 52913 15 62 . 1 . 1 35 35 GLN N N 15 119.728 . . . . . . . . 35 GLN N . 52913 15 63 . 1 . 1 36 36 GLN H H 1 8.426 . . . . . . . . 36 GLN H . 52913 15 64 . 1 . 1 36 36 GLN N N 15 121.329 . . . . . . . . 36 GLN N . 52913 15 65 . 1 . 1 37 37 SER H H 1 8.256 . . . . . . . . 37 SER H . 52913 15 66 . 1 . 1 37 37 SER N N 15 116.573 . . . . . . . . 37 SER N . 52913 15 67 . 1 . 1 38 38 TYR H H 1 8.221 . . . . . . . . 38 TYR H . 52913 15 68 . 1 . 1 38 38 TYR N N 15 122.262 . . . . . . . . 38 TYR N . 52913 15 69 . 1 . 1 39 39 SER H H 1 8.254 . . . . . . . . 39 SER H . 52913 15 70 . 1 . 1 39 39 SER N N 15 117.849 . . . . . . . . 39 SER N . 52913 15 71 . 1 . 1 40 40 GLY H H 1 7.814 . . . . . . . . 40 GLY H . 52913 15 72 . 1 . 1 40 40 GLY N N 15 110.127 . . . . . . . . 40 GLY N . 52913 15 73 . 1 . 1 41 41 TYR H H 1 7.967 . . . . . . . . 41 TYR H . 52913 15 74 . 1 . 1 41 41 TYR N N 15 119.979 . . . . . . . . 41 TYR N . 52913 15 75 . 1 . 1 42 42 SER H H 1 8.183 . . . . . . . . 42 SER H . 52913 15 76 . 1 . 1 42 42 SER N N 15 117.779 . . . . . . . . 42 SER N . 52913 15 77 . 1 . 1 43 43 GLN H H 1 8.338 . . . . . . . . 43 GLN H . 52913 15 78 . 1 . 1 43 43 GLN N N 15 122.275 . . . . . . . . 43 GLN N . 52913 15 79 . 1 . 1 44 44 SER H H 1 8.345 . . . . . . . . 44 SER H . 52913 15 80 . 1 . 1 44 44 SER N N 15 116.71 . . . . . . . . 44 SER N . 52913 15 81 . 1 . 1 45 45 THR H H 1 8.166 . . . . . . . . 45 THR H . 52913 15 82 . 1 . 1 45 45 THR N N 15 115.329 . . . . . . . . 45 THR N . 52913 15 83 . 1 . 1 46 46 ASP H H 1 8.32 . . . . . . . . 46 ASP H . 52913 15 84 . 1 . 1 46 46 ASP N N 15 122.647 . . . . . . . . 46 ASP N . 52913 15 85 . 1 . 1 47 47 THR H H 1 8.209 . . . . . . . . 47 THR H . 52913 15 86 . 1 . 1 47 47 THR N N 15 114.487 . . . . . . . . 47 THR N . 52913 15 87 . 1 . 1 48 48 SER H H 1 8.365 . . . . . . . . 48 SER H . 52913 15 88 . 1 . 1 48 48 SER N N 15 118.19 . . . . . . . . 48 SER N . 52913 15 89 . 1 . 1 49 49 GLY H H 1 8.314 . . . . . . . . 49 GLY H . 52913 15 90 . 1 . 1 49 49 GLY N N 15 110.324 . . . . . . . . 49 GLY N . 52913 15 91 . 1 . 1 50 50 TYR H H 1 8.047 . . . . . . . . 50 TYR H . 52913 15 92 . 1 . 1 50 50 TYR N N 15 120.118 . . . . . . . . 50 TYR N . 52913 15 93 . 1 . 1 51 51 GLY H H 1 8.355 . . . . . . . . 51 GLY H . 52913 15 94 . 1 . 1 51 51 GLY N N 15 110.747 . . . . . . . . 51 GLY N . 52913 15 95 . 1 . 1 52 52 GLN H H 1 8.147 . . . . . . . . 52 GLN H . 52913 15 96 . 1 . 1 52 52 GLN N N 15 119.731 . . . . . . . . 52 GLN N . 52913 15 97 . 1 . 1 53 53 SER H H 1 8.388 . . . . . . . . 53 SER H . 52913 15 98 . 1 . 1 53 53 SER N N 15 116.702 . . . . . . . . 53 SER N . 52913 15 99 . 1 . 1 54 54 SER H H 1 8.268 . . . . . . . . 54 SER H . 52913 15 100 . 1 . 1 54 54 SER N N 15 117.399 . . . . . . . . 54 SER N . 52913 15 101 . 1 . 1 55 55 TYR H H 1 8.113 . . . . . . . . 55 TYR H . 52913 15 102 . 1 . 1 55 55 TYR N N 15 121.769 . . . . . . . . 55 TYR N . 52913 15 103 . 1 . 1 56 56 SER H H 1 8.088 . . . . . . . . 56 SER H . 52913 15 104 . 1 . 1 56 56 SER N N 15 116.979 . . . . . . . . 56 SER N . 52913 15 105 . 1 . 1 57 57 SER H H 1 8.191 . . . . . . . . 57 SER H . 52913 15 106 . 1 . 1 57 57 SER N N 15 117.7 . . . . . . . . 57 SER N . 52913 15 107 . 1 . 1 58 58 TYR H H 1 8.108 . . . . . . . . 58 TYR H . 52913 15 108 . 1 . 1 58 58 TYR N N 15 121.828 . . . . . . . . 58 TYR N . 52913 15 109 . 1 . 1 59 59 GLY H H 1 8.245 . . . . . . . . 59 GLY H . 52913 15 110 . 1 . 1 59 59 GLY N N 15 110.433 . . . . . . . . 59 GLY N . 52913 15 111 . 1 . 1 60 60 GLN H H 1 8.108 . . . . . . . . 60 GLN H . 52913 15 112 . 1 . 1 60 60 GLN N N 15 119.631 . . . . . . . . 60 GLN N . 52913 15 113 . 1 . 1 61 61 SER H H 1 8.355 . . . . . . . . 61 SER H . 52913 15 114 . 1 . 1 61 61 SER N N 15 116.76 . . . . . . . . 61 SER N . 52913 15 115 . 1 . 1 62 62 GLN H H 1 8.406 . . . . . . . . 62 GLN H . 52913 15 116 . 1 . 1 62 62 GLN N N 15 121.526 . . . . . . . . 62 GLN N . 52913 15 117 . 1 . 1 63 63 ASN H H 1 8.437 . . . . . . . . 63 ASN H . 52913 15 118 . 1 . 1 63 63 ASN N N 15 119.578 . . . . . . . . 63 ASN N . 52913 15 119 . 1 . 1 64 64 THR H H 1 8.117 . . . . . . . . 64 THR H . 52913 15 120 . 1 . 1 64 64 THR N N 15 113.729 . . . . . . . . 64 THR N . 52913 15 121 . 1 . 1 65 65 GLY H H 1 8.325 . . . . . . . . 65 GLY H . 52913 15 122 . 1 . 1 65 65 GLY N N 15 110.535 . . . . . . . . 65 GLY N . 52913 15 123 . 1 . 1 67 67 GLY H H 1 8.345 . . . . . . . . 67 GLY H . 52913 15 124 . 1 . 1 67 67 GLY N N 15 110.799 . . . . . . . . 67 GLY N . 52913 15 125 . 1 . 1 68 68 THR H H 1 8.046 . . . . . . . . 68 THR H . 52913 15 126 . 1 . 1 68 68 THR N N 15 113.457 . . . . . . . . 68 THR N . 52913 15 127 . 1 . 1 69 69 GLN H H 1 8.446 . . . . . . . . 69 GLN H . 52913 15 128 . 1 . 1 69 69 GLN N N 15 122.32 . . . . . . . . 69 GLN N . 52913 15 129 . 1 . 1 70 70 SER H H 1 8.343 . . . . . . . . 70 SER H . 52913 15 130 . 1 . 1 70 70 SER N N 15 117.08 . . . . . . . . 70 SER N . 52913 15 131 . 1 . 1 71 71 THR H H 1 8.137 . . . . . . . . 71 THR H . 52913 15 132 . 1 . 1 71 71 THR N N 15 117.541 . . . . . . . . 71 THR N . 52913 15 133 . 1 . 1 73 73 GLN H H 1 8.427 . . . . . . . . 73 GLN H . 52913 15 134 . 1 . 1 73 73 GLN N N 15 120.366 . . . . . . . . 73 GLN N . 52913 15 135 . 1 . 1 74 74 GLY H H 1 8.314 . . . . . . . . 74 GLY H . 52913 15 136 . 1 . 1 74 74 GLY N N 15 109.879 . . . . . . . . 74 GLY N . 52913 15 137 . 1 . 1 75 75 TYR H H 1 8.078 . . . . . . . . 75 TYR H . 52913 15 138 . 1 . 1 75 75 TYR N N 15 120.201 . . . . . . . . 75 TYR N . 52913 15 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 15 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 15 141 . 1 . 1 77 77 SER H H 1 8.196 . . . . . . . . 77 SER H . 52913 15 142 . 1 . 1 77 77 SER N N 15 115.633 . . . . . . . . 77 SER N . 52913 15 143 . 1 . 1 78 78 THR H H 1 8.229 . . . . . . . . 78 THR H . 52913 15 144 . 1 . 1 78 78 THR N N 15 114.846 . . . . . . . . 78 THR N . 52913 15 145 . 1 . 1 79 79 GLY H H 1 8.322 . . . . . . . . 79 GLY H . 52913 15 146 . 1 . 1 79 79 GLY N N 15 110.732 . . . . . . . . 79 GLY N . 52913 15 147 . 1 . 1 80 80 GLY H H 1 8.15 . . . . . . . . 80 GLY H . 52913 15 148 . 1 . 1 80 80 GLY N N 15 108.378 . . . . . . . . 80 GLY N . 52913 15 149 . 1 . 1 81 81 TYR H H 1 8.133 . . . . . . . . 81 TYR H . 52913 15 150 . 1 . 1 81 81 TYR N N 15 120.199 . . . . . . . . 81 TYR N . 52913 15 151 . 1 . 1 82 82 GLY H H 1 8.372 . . . . . . . . 82 GLY H . 52913 15 152 . 1 . 1 82 82 GLY N N 15 110.901 . . . . . . . . 82 GLY N . 52913 15 153 . 1 . 1 83 83 SER H H 1 8.156 . . . . . . . . 83 SER H . 52913 15 154 . 1 . 1 83 83 SER N N 15 115.558 . . . . . . . . 83 SER N . 52913 15 155 . 1 . 1 84 84 SER H H 1 8.41 . . . . . . . . 84 SER H . 52913 15 156 . 1 . 1 84 84 SER N N 15 117.637 . . . . . . . . 84 SER N . 52913 15 157 . 1 . 1 85 85 GLN H H 1 8.382 . . . . . . . . 85 GLN H . 52913 15 158 . 1 . 1 85 85 GLN N N 15 121.851 . . . . . . . . 85 GLN N . 52913 15 159 . 1 . 1 86 86 SER H H 1 8.296 . . . . . . . . 86 SER H . 52913 15 160 . 1 . 1 86 86 SER N N 15 116.541 . . . . . . . . 86 SER N . 52913 15 161 . 1 . 1 87 87 SER H H 1 8.331 . . . . . . . . 87 SER H . 52913 15 162 . 1 . 1 87 87 SER N N 15 117.498 . . . . . . . . 87 SER N . 52913 15 163 . 1 . 1 88 88 GLN H H 1 8.334 . . . . . . . . 88 GLN H . 52913 15 164 . 1 . 1 88 88 GLN N N 15 121.794 . . . . . . . . 88 GLN N . 52913 15 165 . 1 . 1 89 89 SER H H 1 8.28 . . . . . . . . 89 SER H . 52913 15 166 . 1 . 1 89 89 SER N N 15 116.5 . . . . . . . . 89 SER N . 52913 15 167 . 1 . 1 90 90 SER H H 1 8.236 . . . . . . . . 90 SER H . 52913 15 168 . 1 . 1 90 90 SER N N 15 117.483 . . . . . . . . 90 SER N . 52913 15 169 . 1 . 1 91 91 TYR H H 1 8.138 . . . . . . . . 91 TYR H . 52913 15 170 . 1 . 1 91 91 TYR N N 15 121.854 . . . . . . . . 91 TYR N . 52913 15 171 . 1 . 1 92 92 GLY H H 1 8.247 . . . . . . . . 92 GLY H . 52913 15 172 . 1 . 1 92 92 GLY N N 15 110.368 . . . . . . . . 92 GLY N . 52913 15 173 . 1 . 1 93 93 GLN H H 1 8.147 . . . . . . . . 93 GLN H . 52913 15 174 . 1 . 1 93 93 GLN N N 15 119.669 . . . . . . . . 93 GLN N . 52913 15 175 . 1 . 1 95 95 SER H H 1 8.304 . . . . . . . . 95 SER H . 52913 15 176 . 1 . 1 95 95 SER N N 15 116.6 . . . . . . . . 95 SER N . 52913 15 177 . 1 . 1 96 96 SER H H 1 8.15 . . . . . . . . 96 SER H . 52913 15 178 . 1 . 1 96 96 SER N N 15 117.066 . . . . . . . . 96 SER N . 52913 15 179 . 1 . 1 97 97 TYR H H 1 8.087 . . . . . . . . 97 TYR H . 52913 15 180 . 1 . 1 97 97 TYR N N 15 122.754 . . . . . . . . 97 TYR N . 52913 15 181 . 1 . 1 99 99 GLY H H 1 7.902 . . . . . . . . 99 GLY H . 52913 15 182 . 1 . 1 99 99 GLY N N 15 108.608 . . . . . . . . 99 GLY N . 52913 15 183 . 1 . 1 100 100 TYR H H 1 7.92 . . . . . . . . 100 TYR H . 52913 15 184 . 1 . 1 100 100 TYR N N 15 120.047 . . . . . . . . 100 TYR N . 52913 15 185 . 1 . 1 101 101 GLY H H 1 8.35 . . . . . . . . 101 GLY H . 52913 15 186 . 1 . 1 101 101 GLY N N 15 111.069 . . . . . . . . 101 GLY N . 52913 15 187 . 1 . 1 102 102 GLN H H 1 8.09 . . . . . . . . 102 GLN H . 52913 15 188 . 1 . 1 102 102 GLN N N 15 119.566 . . . . . . . . 102 GLN N . 52913 15 189 . 1 . 1 103 103 GLN H H 1 8.408 . . . . . . . . 103 GLN H . 52913 15 190 . 1 . 1 103 103 GLN N N 15 122.682 . . . . . . . . 103 GLN N . 52913 15 191 . 1 . 1 105 105 ALA H H 1 8.369 . . . . . . . . 105 ALA H . 52913 15 192 . 1 . 1 105 105 ALA N N 15 125.546 . . . . . . . . 105 ALA N . 52913 15 193 . 1 . 1 107 107 SER H H 1 8.387 . . . . . . . . 107 SER H . 52913 15 194 . 1 . 1 107 107 SER N N 15 115.687 . . . . . . . . 107 SER N . 52913 15 195 . 1 . 1 108 108 SER H H 1 8.393 . . . . . . . . 108 SER H . 52913 15 196 . 1 . 1 108 108 SER N N 15 117.591 . . . . . . . . 108 SER N . 52913 15 197 . 1 . 1 109 109 THR H H 1 8.206 . . . . . . . . 109 THR H . 52913 15 198 . 1 . 1 109 109 THR N N 15 114.896 . . . . . . . . 109 THR N . 52913 15 199 . 1 . 1 110 110 SER H H 1 8.253 . . . . . . . . 110 SER H . 52913 15 200 . 1 . 1 110 110 SER N N 15 117.79 . . . . . . . . 110 SER N . 52913 15 201 . 1 . 1 111 111 GLY H H 1 8.352 . . . . . . . . 111 GLY H . 52913 15 202 . 1 . 1 111 111 GLY N N 15 110.778 . . . . . . . . 111 GLY N . 52913 15 203 . 1 . 1 112 112 SER H H 1 8.111 . . . . . . . . 112 SER H . 52913 15 204 . 1 . 1 112 112 SER N N 15 115.492 . . . . . . . . 112 SER N . 52913 15 205 . 1 . 1 113 113 TYR H H 1 8.258 . . . . . . . . 113 TYR H . 52913 15 206 . 1 . 1 113 113 TYR N N 15 122.261 . . . . . . . . 113 TYR N . 52913 15 207 . 1 . 1 114 114 GLY H H 1 8.291 . . . . . . . . 114 GLY H . 52913 15 208 . 1 . 1 114 114 GLY N N 15 110.665 . . . . . . . . 114 GLY N . 52913 15 209 . 1 . 1 115 115 SER H H 1 8.183 . . . . . . . . 115 SER H . 52913 15 210 . 1 . 1 115 115 SER N N 15 115.613 . . . . . . . . 115 SER N . 52913 15 211 . 1 . 1 116 116 SER H H 1 8.424 . . . . . . . . 116 SER H . 52913 15 212 . 1 . 1 116 116 SER N N 15 117.706 . . . . . . . . 116 SER N . 52913 15 213 . 1 . 1 117 117 SER H H 1 8.33 . . . . . . . . 117 SER H . 52913 15 214 . 1 . 1 117 117 SER N N 15 117.686 . . . . . . . . 117 SER N . 52913 15 215 . 1 . 1 118 118 GLN H H 1 8.327 . . . . . . . . 118 GLN H . 52913 15 216 . 1 . 1 118 118 GLN N N 15 121.868 . . . . . . . . 118 GLN N . 52913 15 217 . 1 . 1 119 119 SER H H 1 8.292 . . . . . . . . 119 SER H . 52913 15 218 . 1 . 1 119 119 SER N N 15 116.608 . . . . . . . . 119 SER N . 52913 15 219 . 1 . 1 120 120 SER H H 1 8.33 . . . . . . . . 120 SER H . 52913 15 220 . 1 . 1 120 120 SER N N 15 117.614 . . . . . . . . 120 SER N . 52913 15 221 . 1 . 1 121 121 SER H H 1 8.242 . . . . . . . . 121 SER H . 52913 15 222 . 1 . 1 121 121 SER N N 15 117.427 . . . . . . . . 121 SER N . 52913 15 223 . 1 . 1 122 122 TYR H H 1 8.085 . . . . . . . . 122 TYR H . 52913 15 224 . 1 . 1 122 122 TYR N N 15 121.919 . . . . . . . . 122 TYR N . 52913 15 225 . 1 . 1 123 123 GLY H H 1 8.224 . . . . . . . . 123 GLY H . 52913 15 226 . 1 . 1 123 123 GLY N N 15 110.654 . . . . . . . . 123 GLY N . 52913 15 227 . 1 . 1 124 124 GLN H H 1 8.068 . . . . . . . . 124 GLN H . 52913 15 228 . 1 . 1 124 124 GLN N N 15 120.488 . . . . . . . . 124 GLN N . 52913 15 229 . 1 . 1 126 126 GLN H H 1 8.554 . . . . . . . . 126 GLN H . 52913 15 230 . 1 . 1 126 126 GLN N N 15 120.683 . . . . . . . . 126 GLN N . 52913 15 231 . 1 . 1 127 127 SER H H 1 8.361 . . . . . . . . 127 SER H . 52913 15 232 . 1 . 1 127 127 SER N N 15 116.824 . . . . . . . . 127 SER N . 52913 15 233 . 1 . 1 128 128 GLY H H 1 8.416 . . . . . . . . 128 GLY H . 52913 15 234 . 1 . 1 128 128 GLY N N 15 110.772 . . . . . . . . 128 GLY N . 52913 15 235 . 1 . 1 129 129 SER H H 1 8.125 . . . . . . . . 129 SER H . 52913 15 236 . 1 . 1 129 129 SER N N 15 115.44 . . . . . . . . 129 SER N . 52913 15 237 . 1 . 1 131 131 SER H H 1 8.122 . . . . . . . . 131 SER H . 52913 15 238 . 1 . 1 131 131 SER N N 15 117.075 . . . . . . . . 131 SER N . 52913 15 239 . 1 . 1 132 132 GLN H H 1 8.24 . . . . . . . . 132 GLN H . 52913 15 240 . 1 . 1 132 132 GLN N N 15 121.867 . . . . . . . . 132 GLN N . 52913 15 241 . 1 . 1 133 133 GLN H H 1 8.314 . . . . . . . . 133 GLN H . 52913 15 242 . 1 . 1 133 133 GLN N N 15 122.466 . . . . . . . . 133 GLN N . 52913 15 243 . 1 . 1 135 135 SER H H 1 8.286 . . . . . . . . 135 SER H . 52913 15 244 . 1 . 1 135 135 SER N N 15 115.524 . . . . . . . . 135 SER N . 52913 15 245 . 1 . 1 136 136 TYR H H 1 8.195 . . . . . . . . 136 TYR H . 52913 15 246 . 1 . 1 136 136 TYR N N 15 122.108 . . . . . . . . 136 TYR N . 52913 15 247 . 1 . 1 137 137 GLY H H 1 8.338 . . . . . . . . 137 GLY H . 52913 15 248 . 1 . 1 137 137 GLY N N 15 110.817 . . . . . . . . 137 GLY N . 52913 15 249 . 1 . 1 138 138 GLY H H 1 7.952 . . . . . . . . 138 GLY H . 52913 15 250 . 1 . 1 138 138 GLY N N 15 108.303 . . . . . . . . 138 GLY N . 52913 15 251 . 1 . 1 139 139 GLN H H 1 8.272 . . . . . . . . 139 GLN H . 52913 15 252 . 1 . 1 139 139 GLN N N 15 119.687 . . . . . . . . 139 GLN N . 52913 15 253 . 1 . 1 140 140 GLN H H 1 8.469 . . . . . . . . 140 GLN H . 52913 15 254 . 1 . 1 140 140 GLN N N 15 121.453 . . . . . . . . 140 GLN N . 52913 15 255 . 1 . 1 141 141 GLN H H 1 8.406 . . . . . . . . 141 GLN H . 52913 15 256 . 1 . 1 141 141 GLN N N 15 121.441 . . . . . . . . 141 GLN N . 52913 15 257 . 1 . 1 142 142 SER H H 1 8.262 . . . . . . . . 142 SER H . 52913 15 258 . 1 . 1 142 142 SER N N 15 116.68 . . . . . . . . 142 SER N . 52913 15 259 . 1 . 1 143 143 TYR H H 1 8.225 . . . . . . . . 143 TYR H . 52913 15 260 . 1 . 1 143 143 TYR N N 15 122.11 . . . . . . . . 143 TYR N . 52913 15 261 . 1 . 1 144 144 GLY H H 1 8.315 . . . . . . . . 144 GLY H . 52913 15 262 . 1 . 1 144 144 GLY N N 15 110.264 . . . . . . . . 144 GLY N . 52913 15 263 . 1 . 1 145 145 GLN H H 1 8.175 . . . . . . . . 145 GLN H . 52913 15 264 . 1 . 1 145 145 GLN N N 15 119.738 . . . . . . . . 145 GLN N . 52913 15 265 . 1 . 1 146 146 GLN H H 1 8.447 . . . . . . . . 146 GLN H . 52913 15 266 . 1 . 1 146 146 GLN N N 15 121.33 . . . . . . . . 146 GLN N . 52913 15 267 . 1 . 1 147 147 GLN H H 1 8.416 . . . . . . . . 147 GLN H . 52913 15 268 . 1 . 1 147 147 GLN N N 15 121.416 . . . . . . . . 147 GLN N . 52913 15 269 . 1 . 1 148 148 SER H H 1 8.267 . . . . . . . . 148 SER H . 52913 15 270 . 1 . 1 148 148 SER N N 15 116.77 . . . . . . . . 148 SER N . 52913 15 271 . 1 . 1 149 149 TYR H H 1 8.193 . . . . . . . . 149 TYR H . 52913 15 272 . 1 . 1 149 149 TYR N N 15 122.382 . . . . . . . . 149 TYR N . 52913 15 273 . 1 . 1 150 150 ASN H H 1 8.218 . . . . . . . . 150 ASN H . 52913 15 274 . 1 . 1 150 150 ASN N N 15 123.157 . . . . . . . . 150 ASN N . 52913 15 275 . 1 . 1 153 153 GLN H H 1 8.448 . . . . . . . . 153 GLN H . 52913 15 276 . 1 . 1 153 153 GLN N N 15 120.026 . . . . . . . . 153 GLN N . 52913 15 277 . 1 . 1 154 154 GLY H H 1 8.346 . . . . . . . . 154 GLY H . 52913 15 278 . 1 . 1 154 154 GLY N N 15 109.997 . . . . . . . . 154 GLY N . 52913 15 279 . 1 . 1 155 155 TYR H H 1 8.111 . . . . . . . . 155 TYR H . 52913 15 280 . 1 . 1 155 155 TYR N N 15 120.052 . . . . . . . . 155 TYR N . 52913 15 281 . 1 . 1 156 156 GLY H H 1 8.395 . . . . . . . . 156 GLY H . 52913 15 282 . 1 . 1 156 156 GLY N N 15 110.871 . . . . . . . . 156 GLY N . 52913 15 283 . 1 . 1 157 157 GLN H H 1 8.173 . . . . . . . . 157 GLN H . 52913 15 284 . 1 . 1 157 157 GLN N N 15 119.672 . . . . . . . . 157 GLN N . 52913 15 285 . 1 . 1 158 158 GLN H H 1 8.469 . . . . . . . . 158 GLN H . 52913 15 286 . 1 . 1 158 158 GLN N N 15 120.997 . . . . . . . . 158 GLN N . 52913 15 287 . 1 . 1 159 159 ASN H H 1 8.444 . . . . . . . . 159 ASN H . 52913 15 288 . 1 . 1 159 159 ASN N N 15 119.518 . . . . . . . . 159 ASN N . 52913 15 289 . 1 . 1 160 160 GLN H H 1 8.292 . . . . . . . . 160 GLN H . 52913 15 290 . 1 . 1 160 160 GLN N N 15 120.162 . . . . . . . . 160 GLN N . 52913 15 291 . 1 . 1 161 161 TYR H H 1 8.196 . . . . . . . . 161 TYR H . 52913 15 292 . 1 . 1 161 161 TYR N N 15 120.511 . . . . . . . . 161 TYR N . 52913 15 293 . 1 . 1 162 162 ASN H H 1 8.28 . . . . . . . . 162 ASN H . 52913 15 294 . 1 . 1 162 162 ASN N N 15 120.528 . . . . . . . . 162 ASN N . 52913 15 295 . 1 . 1 163 163 SER H H 1 7.845 . . . . . . . . 163 SER H . 52913 15 296 . 1 . 1 163 163 SER N N 15 121.371 . . . . . . . . 163 SER N . 52913 15 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_16 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_16 _Assigned_chem_shift_list.Entry_ID 52913 _Assigned_chem_shift_list.ID 16 _Assigned_chem_shift_list.Name 'FUS LC NoDiol 4' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 1H-15N HSQC' . . . 52913 16 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all 1H' . -0.0024771820759290 . 52913 16 na 'all 15N' . -0.0024771819802792 . 52913 16 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52913 16 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.544 . . . . . . . . 2 ALA H . 52913 16 2 . 1 . 1 2 2 ALA N N 15 125.835 . . . . . . . . 2 ALA N . 52913 16 3 . 1 . 1 3 3 SER H H 1 8.287 . . . . . . . . 3 SER H . 52913 16 4 . 1 . 1 3 3 SER N N 15 115.075 . . . . . . . . 3 SER N . 52913 16 5 . 1 . 1 4 4 ASN H H 1 8.407 . . . . . . . . 4 ASN H . 52913 16 6 . 1 . 1 4 4 ASN N N 15 120.331 . . . . . . . . 4 ASN N . 52913 16 7 . 1 . 1 5 5 ASP H H 1 8.154 . . . . . . . . 5 ASP H . 52913 16 8 . 1 . 1 5 5 ASP N N 15 120.119 . . . . . . . . 5 ASP N . 52913 16 9 . 1 . 1 6 6 TYR H H 1 8.172 . . . . . . . . 6 TYR H . 52913 16 10 . 1 . 1 6 6 TYR N N 15 120.999 . . . . . . . . 6 TYR N . 52913 16 11 . 1 . 1 7 7 THR H H 1 8.053 . . . . . . . . 7 THR H . 52913 16 12 . 1 . 1 7 7 THR N N 15 115.201 . . . . . . . . 7 THR N . 52913 16 13 . 1 . 1 8 8 GLN H H 1 8.193 . . . . . . . . 8 GLN H . 52913 16 14 . 1 . 1 8 8 GLN N N 15 122.086 . . . . . . . . 8 GLN N . 52913 16 15 . 1 . 1 9 9 GLN H H 1 8.271 . . . . . . . . 9 GLN H . 52913 16 16 . 1 . 1 9 9 GLN N N 15 121.141 . . . . . . . . 9 GLN N . 52913 16 17 . 1 . 1 10 10 ALA H H 1 8.342 . . . . . . . . 10 ALA H . 52913 16 18 . 1 . 1 10 10 ALA N N 15 124.973 . . . . . . . . 10 ALA N . 52913 16 19 . 1 . 1 11 11 THR H H 1 8.069 . . . . . . . . 11 THR H . 52913 16 20 . 1 . 1 11 11 THR N N 15 113.016 . . . . . . . . 11 THR N . 52913 16 21 . 1 . 1 12 12 GLN H H 1 8.288 . . . . . . . . 12 GLN H . 52913 16 22 . 1 . 1 12 12 GLN N N 15 122.305 . . . . . . . . 12 GLN N . 52913 16 23 . 1 . 1 13 13 SER H H 1 8.246 . . . . . . . . 13 SER H . 52913 16 24 . 1 . 1 13 13 SER N N 15 116.825 . . . . . . . . 13 SER N . 52913 16 25 . 1 . 1 14 14 TYR H H 1 8.198 . . . . . . . . 14 TYR H . 52913 16 26 . 1 . 1 14 14 TYR N N 15 122.095 . . . . . . . . 14 TYR N . 52913 16 27 . 1 . 1 15 15 GLY H H 1 8.214 . . . . . . . . 15 GLY H . 52913 16 28 . 1 . 1 15 15 GLY N N 15 110.408 . . . . . . . . 15 GLY N . 52913 16 29 . 1 . 1 16 16 ALA H H 1 7.937 . . . . . . . . 16 ALA H . 52913 16 30 . 1 . 1 16 16 ALA N N 15 123.318 . . . . . . . . 16 ALA N . 52913 16 31 . 1 . 1 17 17 TYR H H 1 8.051 . . . . . . . . 17 TYR H . 52913 16 32 . 1 . 1 17 17 TYR N N 15 120.139 . . . . . . . . 17 TYR N . 52913 16 33 . 1 . 1 19 19 THR H H 1 8.135 . . . . . . . . 19 THR H . 52913 16 34 . 1 . 1 19 19 THR N N 15 114.178 . . . . . . . . 19 THR N . 52913 16 35 . 1 . 1 20 20 GLN H H 1 8.292 . . . . . . . . 20 GLN H . 52913 16 36 . 1 . 1 20 20 GLN N N 15 123.233 . . . . . . . . 20 GLN N . 52913 16 37 . 1 . 1 22 22 GLY H H 1 8.489 . . . . . . . . 22 GLY H . 52913 16 38 . 1 . 1 22 22 GLY N N 15 109.547 . . . . . . . . 22 GLY N . 52913 16 39 . 1 . 1 23 23 GLN H H 1 8.156 . . . . . . . . 23 GLN H . 52913 16 40 . 1 . 1 23 23 GLN N N 15 119.437 . . . . . . . . 23 GLN N . 52913 16 41 . 1 . 1 24 24 GLY H H 1 8.423 . . . . . . . . 24 GLY H . 52913 16 42 . 1 . 1 24 24 GLY N N 15 109.772 . . . . . . . . 24 GLY N . 52913 16 43 . 1 . 1 25 25 TYR H H 1 8.044 . . . . . . . . 25 TYR H . 52913 16 44 . 1 . 1 25 25 TYR N N 15 120.101 . . . . . . . . 25 TYR N . 52913 16 45 . 1 . 1 26 26 SER H H 1 8.227 . . . . . . . . 26 SER H . 52913 16 46 . 1 . 1 26 26 SER N N 15 117.54 . . . . . . . . 26 SER N . 52913 16 47 . 1 . 1 27 27 GLN H H 1 8.359 . . . . . . . . 27 GLN H . 52913 16 48 . 1 . 1 27 27 GLN N N 15 122.237 . . . . . . . . 27 GLN N . 52913 16 49 . 1 . 1 28 28 GLN H H 1 8.362 . . . . . . . . 28 GLN H . 52913 16 50 . 1 . 1 28 28 GLN N N 15 121.051 . . . . . . . . 28 GLN N . 52913 16 51 . 1 . 1 29 29 SER H H 1 8.298 . . . . . . . . 29 SER H . 52913 16 52 . 1 . 1 29 29 SER N N 15 116.624 . . . . . . . . 29 SER N . 52913 16 53 . 1 . 1 30 30 SER H H 1 8.3 . . . . . . . . 30 SER H . 52913 16 54 . 1 . 1 30 30 SER N N 15 117.474 . . . . . . . . 30 SER N . 52913 16 55 . 1 . 1 31 31 GLN H H 1 8.228 . . . . . . . . 31 GLN H . 52913 16 56 . 1 . 1 31 31 GLN N N 15 122.322 . . . . . . . . 31 GLN N . 52913 16 57 . 1 . 1 33 33 TYR H H 1 8.159 . . . . . . . . 33 TYR H . 52913 16 58 . 1 . 1 33 33 TYR N N 15 120.017 . . . . . . . . 33 TYR N . 52913 16 59 . 1 . 1 34 34 GLY H H 1 8.206 . . . . . . . . 34 GLY H . 52913 16 60 . 1 . 1 34 34 GLY N N 15 110.591 . . . . . . . . 34 GLY N . 52913 16 61 . 1 . 1 35 35 GLN H H 1 8.14 . . . . . . . . 35 GLN H . 52913 16 62 . 1 . 1 35 35 GLN N N 15 119.728 . . . . . . . . 35 GLN N . 52913 16 63 . 1 . 1 36 36 GLN H H 1 8.424 . . . . . . . . 36 GLN H . 52913 16 64 . 1 . 1 36 36 GLN N N 15 121.32 . . . . . . . . 36 GLN N . 52913 16 65 . 1 . 1 37 37 SER H H 1 8.256 . . . . . . . . 37 SER H . 52913 16 66 . 1 . 1 37 37 SER N N 15 116.573 . . . . . . . . 37 SER N . 52913 16 67 . 1 . 1 38 38 TYR H H 1 8.221 . . . . . . . . 38 TYR H . 52913 16 68 . 1 . 1 38 38 TYR N N 15 122.262 . . . . . . . . 38 TYR N . 52913 16 69 . 1 . 1 39 39 SER H H 1 8.254 . . . . . . . . 39 SER H . 52913 16 70 . 1 . 1 39 39 SER N N 15 117.849 . . . . . . . . 39 SER N . 52913 16 71 . 1 . 1 40 40 GLY H H 1 7.816 . . . . . . . . 40 GLY H . 52913 16 72 . 1 . 1 40 40 GLY N N 15 110.131 . . . . . . . . 40 GLY N . 52913 16 73 . 1 . 1 41 41 TYR H H 1 7.969 . . . . . . . . 41 TYR H . 52913 16 74 . 1 . 1 41 41 TYR N N 15 119.978 . . . . . . . . 41 TYR N . 52913 16 75 . 1 . 1 42 42 SER H H 1 8.183 . . . . . . . . 42 SER H . 52913 16 76 . 1 . 1 42 42 SER N N 15 117.781 . . . . . . . . 42 SER N . 52913 16 77 . 1 . 1 43 43 GLN H H 1 8.339 . . . . . . . . 43 GLN H . 52913 16 78 . 1 . 1 43 43 GLN N N 15 122.277 . . . . . . . . 43 GLN N . 52913 16 79 . 1 . 1 44 44 SER H H 1 8.346 . . . . . . . . 44 SER H . 52913 16 80 . 1 . 1 44 44 SER N N 15 116.709 . . . . . . . . 44 SER N . 52913 16 81 . 1 . 1 45 45 THR H H 1 8.17 . . . . . . . . 45 THR H . 52913 16 82 . 1 . 1 45 45 THR N N 15 115.338 . . . . . . . . 45 THR N . 52913 16 83 . 1 . 1 46 46 ASP H H 1 8.322 . . . . . . . . 46 ASP H . 52913 16 84 . 1 . 1 46 46 ASP N N 15 122.649 . . . . . . . . 46 ASP N . 52913 16 85 . 1 . 1 47 47 THR H H 1 8.21 . . . . . . . . 47 THR H . 52913 16 86 . 1 . 1 47 47 THR N N 15 114.489 . . . . . . . . 47 THR N . 52913 16 87 . 1 . 1 48 48 SER H H 1 8.366 . . . . . . . . 48 SER H . 52913 16 88 . 1 . 1 48 48 SER N N 15 118.2 . . . . . . . . 48 SER N . 52913 16 89 . 1 . 1 49 49 GLY H H 1 8.314 . . . . . . . . 49 GLY H . 52913 16 90 . 1 . 1 49 49 GLY N N 15 110.324 . . . . . . . . 49 GLY N . 52913 16 91 . 1 . 1 50 50 TYR H H 1 8.048 . . . . . . . . 50 TYR H . 52913 16 92 . 1 . 1 50 50 TYR N N 15 120.123 . . . . . . . . 50 TYR N . 52913 16 93 . 1 . 1 51 51 GLY H H 1 8.355 . . . . . . . . 51 GLY H . 52913 16 94 . 1 . 1 51 51 GLY N N 15 110.736 . . . . . . . . 51 GLY N . 52913 16 95 . 1 . 1 52 52 GLN H H 1 8.147 . . . . . . . . 52 GLN H . 52913 16 96 . 1 . 1 52 52 GLN N N 15 119.731 . . . . . . . . 52 GLN N . 52913 16 97 . 1 . 1 53 53 SER H H 1 8.389 . . . . . . . . 53 SER H . 52913 16 98 . 1 . 1 53 53 SER N N 15 116.702 . . . . . . . . 53 SER N . 52913 16 99 . 1 . 1 54 54 SER H H 1 8.266 . . . . . . . . 54 SER H . 52913 16 100 . 1 . 1 54 54 SER N N 15 117.407 . . . . . . . . 54 SER N . 52913 16 101 . 1 . 1 55 55 TYR H H 1 8.113 . . . . . . . . 55 TYR H . 52913 16 102 . 1 . 1 55 55 TYR N N 15 121.769 . . . . . . . . 55 TYR N . 52913 16 103 . 1 . 1 56 56 SER H H 1 8.091 . . . . . . . . 56 SER H . 52913 16 104 . 1 . 1 56 56 SER N N 15 116.981 . . . . . . . . 56 SER N . 52913 16 105 . 1 . 1 57 57 SER H H 1 8.191 . . . . . . . . 57 SER H . 52913 16 106 . 1 . 1 57 57 SER N N 15 117.7 . . . . . . . . 57 SER N . 52913 16 107 . 1 . 1 58 58 TYR H H 1 8.108 . . . . . . . . 58 TYR H . 52913 16 108 . 1 . 1 58 58 TYR N N 15 121.828 . . . . . . . . 58 TYR N . 52913 16 109 . 1 . 1 59 59 GLY H H 1 8.245 . . . . . . . . 59 GLY H . 52913 16 110 . 1 . 1 59 59 GLY N N 15 110.433 . . . . . . . . 59 GLY N . 52913 16 111 . 1 . 1 60 60 GLN H H 1 8.111 . . . . . . . . 60 GLN H . 52913 16 112 . 1 . 1 60 60 GLN N N 15 119.623 . . . . . . . . 60 GLN N . 52913 16 113 . 1 . 1 61 61 SER H H 1 8.355 . . . . . . . . 61 SER H . 52913 16 114 . 1 . 1 61 61 SER N N 15 116.76 . . . . . . . . 61 SER N . 52913 16 115 . 1 . 1 62 62 GLN H H 1 8.403 . . . . . . . . 62 GLN H . 52913 16 116 . 1 . 1 62 62 GLN N N 15 121.52 . . . . . . . . 62 GLN N . 52913 16 117 . 1 . 1 63 63 ASN H H 1 8.437 . . . . . . . . 63 ASN H . 52913 16 118 . 1 . 1 63 63 ASN N N 15 119.578 . . . . . . . . 63 ASN N . 52913 16 119 . 1 . 1 64 64 THR H H 1 8.12 . . . . . . . . 64 THR H . 52913 16 120 . 1 . 1 64 64 THR N N 15 113.731 . . . . . . . . 64 THR N . 52913 16 121 . 1 . 1 65 65 GLY H H 1 8.327 . . . . . . . . 65 GLY H . 52913 16 122 . 1 . 1 65 65 GLY N N 15 110.542 . . . . . . . . 65 GLY N . 52913 16 123 . 1 . 1 67 67 GLY H H 1 8.349 . . . . . . . . 67 GLY H . 52913 16 124 . 1 . 1 67 67 GLY N N 15 110.779 . . . . . . . . 67 GLY N . 52913 16 125 . 1 . 1 68 68 THR H H 1 8.051 . . . . . . . . 68 THR H . 52913 16 126 . 1 . 1 68 68 THR N N 15 113.458 . . . . . . . . 68 THR N . 52913 16 127 . 1 . 1 69 69 GLN H H 1 8.446 . . . . . . . . 69 GLN H . 52913 16 128 . 1 . 1 69 69 GLN N N 15 122.322 . . . . . . . . 69 GLN N . 52913 16 129 . 1 . 1 70 70 SER H H 1 8.348 . . . . . . . . 70 SER H . 52913 16 130 . 1 . 1 70 70 SER N N 15 117.076 . . . . . . . . 70 SER N . 52913 16 131 . 1 . 1 71 71 THR H H 1 8.138 . . . . . . . . 71 THR H . 52913 16 132 . 1 . 1 71 71 THR N N 15 117.543 . . . . . . . . 71 THR N . 52913 16 133 . 1 . 1 73 73 GLN H H 1 8.429 . . . . . . . . 73 GLN H . 52913 16 134 . 1 . 1 73 73 GLN N N 15 120.368 . . . . . . . . 73 GLN N . 52913 16 135 . 1 . 1 74 74 GLY H H 1 8.315 . . . . . . . . 74 GLY H . 52913 16 136 . 1 . 1 74 74 GLY N N 15 109.881 . . . . . . . . 74 GLY N . 52913 16 137 . 1 . 1 75 75 TYR H H 1 8.081 . . . . . . . . 75 TYR H . 52913 16 138 . 1 . 1 75 75 TYR N N 15 120.197 . . . . . . . . 75 TYR N . 52913 16 139 . 1 . 1 76 76 GLY H H 1 8.366 . . . . . . . . 76 GLY H . 52913 16 140 . 1 . 1 76 76 GLY N N 15 110.838 . . . . . . . . 76 GLY N . 52913 16 141 . 1 . 1 77 77 SER H H 1 8.197 . . . . . . . . 77 SER H . 52913 16 142 . 1 . 1 77 77 SER N N 15 115.62 . . . . . . . . 77 SER N . 52913 16 143 . 1 . 1 78 78 THR H H 1 8.233 . . . . . . . . 78 THR H . 52913 16 144 . 1 . 1 78 78 THR N N 15 114.853 . . . . . . . . 78 THR N . 52913 16 145 . 1 . 1 79 79 GLY H H 1 8.325 . . . . . . . . 79 GLY H . 52913 16 146 . 1 . 1 79 79 GLY N N 15 110.73 . . . . . . . . 79 GLY N . 52913 16 147 . 1 . 1 80 80 GLY H H 1 8.154 . . . . . . . . 80 GLY H . 52913 16 148 . 1 . 1 80 80 GLY N N 15 108.37 . . . . . . . . 80 GLY N . 52913 16 149 . 1 . 1 81 81 TYR H H 1 8.134 . . . . . . . . 81 TYR H . 52913 16 150 . 1 . 1 81 81 TYR N N 15 120.197 . . . . . . . . 81 TYR N . 52913 16 151 . 1 . 1 82 82 GLY H H 1 8.374 . . . . . . . . 82 GLY H . 52913 16 152 . 1 . 1 82 82 GLY N N 15 110.894 . . . . . . . . 82 GLY N . 52913 16 153 . 1 . 1 83 83 SER H H 1 8.16 . . . . . . . . 83 SER H . 52913 16 154 . 1 . 1 83 83 SER N N 15 115.541 . . . . . . . . 83 SER N . 52913 16 155 . 1 . 1 84 84 SER H H 1 8.411 . . . . . . . . 84 SER H . 52913 16 156 . 1 . 1 84 84 SER N N 15 117.634 . . . . . . . . 84 SER N . 52913 16 157 . 1 . 1 85 85 GLN H H 1 8.383 . . . . . . . . 85 GLN H . 52913 16 158 . 1 . 1 85 85 GLN N N 15 121.859 . . . . . . . . 85 GLN N . 52913 16 159 . 1 . 1 86 86 SER H H 1 8.297 . . . . . . . . 86 SER H . 52913 16 160 . 1 . 1 86 86 SER N N 15 116.512 . . . . . . . . 86 SER N . 52913 16 161 . 1 . 1 87 87 SER H H 1 8.331 . . . . . . . . 87 SER H . 52913 16 162 . 1 . 1 87 87 SER N N 15 117.498 . . . . . . . . 87 SER N . 52913 16 163 . 1 . 1 88 88 GLN H H 1 8.334 . . . . . . . . 88 GLN H . 52913 16 164 . 1 . 1 88 88 GLN N N 15 121.802 . . . . . . . . 88 GLN N . 52913 16 165 . 1 . 1 89 89 SER H H 1 8.277 . . . . . . . . 89 SER H . 52913 16 166 . 1 . 1 89 89 SER N N 15 116.521 . . . . . . . . 89 SER N . 52913 16 167 . 1 . 1 90 90 SER H H 1 8.235 . . . . . . . . 90 SER H . 52913 16 168 . 1 . 1 90 90 SER N N 15 117.498 . . . . . . . . 90 SER N . 52913 16 169 . 1 . 1 91 91 TYR H H 1 8.139 . . . . . . . . 91 TYR H . 52913 16 170 . 1 . 1 91 91 TYR N N 15 121.85 . . . . . . . . 91 TYR N . 52913 16 171 . 1 . 1 92 92 GLY H H 1 8.247 . . . . . . . . 92 GLY H . 52913 16 172 . 1 . 1 92 92 GLY N N 15 110.368 . . . . . . . . 92 GLY N . 52913 16 173 . 1 . 1 93 93 GLN H H 1 8.145 . . . . . . . . 93 GLN H . 52913 16 174 . 1 . 1 93 93 GLN N N 15 119.691 . . . . . . . . 93 GLN N . 52913 16 175 . 1 . 1 95 95 SER H H 1 8.302 . . . . . . . . 95 SER H . 52913 16 176 . 1 . 1 95 95 SER N N 15 116.582 . . . . . . . . 95 SER N . 52913 16 177 . 1 . 1 96 96 SER H H 1 8.151 . . . . . . . . 96 SER H . 52913 16 178 . 1 . 1 96 96 SER N N 15 117.073 . . . . . . . . 96 SER N . 52913 16 179 . 1 . 1 97 97 TYR H H 1 8.086 . . . . . . . . 97 TYR H . 52913 16 180 . 1 . 1 97 97 TYR N N 15 122.762 . . . . . . . . 97 TYR N . 52913 16 181 . 1 . 1 99 99 GLY H H 1 7.903 . . . . . . . . 99 GLY H . 52913 16 182 . 1 . 1 99 99 GLY N N 15 108.61 . . . . . . . . 99 GLY N . 52913 16 183 . 1 . 1 100 100 TYR H H 1 7.922 . . . . . . . . 100 TYR H . 52913 16 184 . 1 . 1 100 100 TYR N N 15 120.048 . . . . . . . . 100 TYR N . 52913 16 185 . 1 . 1 101 101 GLY H H 1 8.351 . . . . . . . . 101 GLY H . 52913 16 186 . 1 . 1 101 101 GLY N N 15 111.073 . . . . . . . . 101 GLY N . 52913 16 187 . 1 . 1 102 102 GLN H H 1 8.093 . . . . . . . . 102 GLN H . 52913 16 188 . 1 . 1 102 102 GLN N N 15 119.574 . . . . . . . . 102 GLN N . 52913 16 189 . 1 . 1 103 103 GLN H H 1 8.412 . . . . . . . . 103 GLN H . 52913 16 190 . 1 . 1 103 103 GLN N N 15 122.686 . . . . . . . . 103 GLN N . 52913 16 191 . 1 . 1 105 105 ALA H H 1 8.371 . . . . . . . . 105 ALA H . 52913 16 192 . 1 . 1 105 105 ALA N N 15 125.546 . . . . . . . . 105 ALA N . 52913 16 193 . 1 . 1 107 107 SER H H 1 8.389 . . . . . . . . 107 SER H . 52913 16 194 . 1 . 1 107 107 SER N N 15 115.687 . . . . . . . . 107 SER N . 52913 16 195 . 1 . 1 108 108 SER H H 1 8.396 . . . . . . . . 108 SER H . 52913 16 196 . 1 . 1 108 108 SER N N 15 117.597 . . . . . . . . 108 SER N . 52913 16 197 . 1 . 1 109 109 THR H H 1 8.205 . . . . . . . . 109 THR H . 52913 16 198 . 1 . 1 109 109 THR N N 15 114.898 . . . . . . . . 109 THR N . 52913 16 199 . 1 . 1 110 110 SER H H 1 8.253 . . . . . . . . 110 SER H . 52913 16 200 . 1 . 1 110 110 SER N N 15 117.79 . . . . . . . . 110 SER N . 52913 16 201 . 1 . 1 111 111 GLY H H 1 8.353 . . . . . . . . 111 GLY H . 52913 16 202 . 1 . 1 111 111 GLY N N 15 110.768 . . . . . . . . 111 GLY N . 52913 16 203 . 1 . 1 112 112 SER H H 1 8.114 . . . . . . . . 112 SER H . 52913 16 204 . 1 . 1 112 112 SER N N 15 115.493 . . . . . . . . 112 SER N . 52913 16 205 . 1 . 1 113 113 TYR H H 1 8.259 . . . . . . . . 113 TYR H . 52913 16 206 . 1 . 1 113 113 TYR N N 15 122.27 . . . . . . . . 113 TYR N . 52913 16 207 . 1 . 1 114 114 GLY H H 1 8.293 . . . . . . . . 114 GLY H . 52913 16 208 . 1 . 1 114 114 GLY N N 15 110.662 . . . . . . . . 114 GLY N . 52913 16 209 . 1 . 1 115 115 SER H H 1 8.189 . . . . . . . . 115 SER H . 52913 16 210 . 1 . 1 115 115 SER N N 15 115.618 . . . . . . . . 115 SER N . 52913 16 211 . 1 . 1 116 116 SER H H 1 8.426 . . . . . . . . 116 SER H . 52913 16 212 . 1 . 1 116 116 SER N N 15 117.694 . . . . . . . . 116 SER N . 52913 16 213 . 1 . 1 117 117 SER H H 1 8.33 . . . . . . . . 117 SER H . 52913 16 214 . 1 . 1 117 117 SER N N 15 117.686 . . . . . . . . 117 SER N . 52913 16 215 . 1 . 1 118 118 GLN H H 1 8.329 . . . . . . . . 118 GLN H . 52913 16 216 . 1 . 1 118 118 GLN N N 15 121.853 . . . . . . . . 118 GLN N . 52913 16 217 . 1 . 1 119 119 SER H H 1 8.291 . . . . . . . . 119 SER H . 52913 16 218 . 1 . 1 119 119 SER N N 15 116.582 . . . . . . . . 119 SER N . 52913 16 219 . 1 . 1 120 120 SER H H 1 8.33 . . . . . . . . 120 SER H . 52913 16 220 . 1 . 1 120 120 SER N N 15 117.614 . . . . . . . . 120 SER N . 52913 16 221 . 1 . 1 121 121 SER H H 1 8.246 . . . . . . . . 121 SER H . 52913 16 222 . 1 . 1 121 121 SER N N 15 117.415 . . . . . . . . 121 SER N . 52913 16 223 . 1 . 1 122 122 TYR H H 1 8.087 . . . . . . . . 122 TYR H . 52913 16 224 . 1 . 1 122 122 TYR N N 15 121.924 . . . . . . . . 122 TYR N . 52913 16 225 . 1 . 1 123 123 GLY H H 1 8.223 . . . . . . . . 123 GLY H . 52913 16 226 . 1 . 1 123 123 GLY N N 15 110.649 . . . . . . . . 123 GLY N . 52913 16 227 . 1 . 1 124 124 GLN H H 1 8.069 . . . . . . . . 124 GLN H . 52913 16 228 . 1 . 1 124 124 GLN N N 15 120.484 . . . . . . . . 124 GLN N . 52913 16 229 . 1 . 1 126 126 GLN H H 1 8.556 . . . . . . . . 126 GLN H . 52913 16 230 . 1 . 1 126 126 GLN N N 15 120.686 . . . . . . . . 126 GLN N . 52913 16 231 . 1 . 1 127 127 SER H H 1 8.361 . . . . . . . . 127 SER H . 52913 16 232 . 1 . 1 127 127 SER N N 15 116.824 . . . . . . . . 127 SER N . 52913 16 233 . 1 . 1 128 128 GLY H H 1 8.418 . . . . . . . . 128 GLY H . 52913 16 234 . 1 . 1 128 128 GLY N N 15 110.775 . . . . . . . . 128 GLY N . 52913 16 235 . 1 . 1 129 129 SER H H 1 8.127 . . . . . . . . 129 SER H . 52913 16 236 . 1 . 1 129 129 SER N N 15 115.445 . . . . . . . . 129 SER N . 52913 16 237 . 1 . 1 131 131 SER H H 1 8.122 . . . . . . . . 131 SER H . 52913 16 238 . 1 . 1 131 131 SER N N 15 117.08 . . . . . . . . 131 SER N . 52913 16 239 . 1 . 1 132 132 GLN H H 1 8.242 . . . . . . . . 132 GLN H . 52913 16 240 . 1 . 1 132 132 GLN N N 15 121.874 . . . . . . . . 132 GLN N . 52913 16 241 . 1 . 1 133 133 GLN H H 1 8.317 . . . . . . . . 133 GLN H . 52913 16 242 . 1 . 1 133 133 GLN N N 15 122.467 . . . . . . . . 133 GLN N . 52913 16 243 . 1 . 1 135 135 SER H H 1 8.289 . . . . . . . . 135 SER H . 52913 16 244 . 1 . 1 135 135 SER N N 15 115.528 . . . . . . . . 135 SER N . 52913 16 245 . 1 . 1 136 136 TYR H H 1 8.195 . . . . . . . . 136 TYR H . 52913 16 246 . 1 . 1 136 136 TYR N N 15 122.108 . . . . . . . . 136 TYR N . 52913 16 247 . 1 . 1 137 137 GLY H H 1 8.346 . . . . . . . . 137 GLY H . 52913 16 248 . 1 . 1 137 137 GLY N N 15 110.785 . . . . . . . . 137 GLY N . 52913 16 249 . 1 . 1 138 138 GLY H H 1 7.955 . . . . . . . . 138 GLY H . 52913 16 250 . 1 . 1 138 138 GLY N N 15 108.305 . . . . . . . . 138 GLY N . 52913 16 251 . 1 . 1 139 139 GLN H H 1 8.274 . . . . . . . . 139 GLN H . 52913 16 252 . 1 . 1 139 139 GLN N N 15 119.697 . . . . . . . . 139 GLN N . 52913 16 253 . 1 . 1 140 140 GLN H H 1 8.47 . . . . . . . . 140 GLN H . 52913 16 254 . 1 . 1 140 140 GLN N N 15 121.445 . . . . . . . . 140 GLN N . 52913 16 255 . 1 . 1 141 141 GLN H H 1 8.409 . . . . . . . . 141 GLN H . 52913 16 256 . 1 . 1 141 141 GLN N N 15 121.455 . . . . . . . . 141 GLN N . 52913 16 257 . 1 . 1 142 142 SER H H 1 8.261 . . . . . . . . 142 SER H . 52913 16 258 . 1 . 1 142 142 SER N N 15 116.626 . . . . . . . . 142 SER N . 52913 16 259 . 1 . 1 143 143 TYR H H 1 8.225 . . . . . . . . 143 TYR H . 52913 16 260 . 1 . 1 143 143 TYR N N 15 122.114 . . . . . . . . 143 TYR N . 52913 16 261 . 1 . 1 144 144 GLY H H 1 8.315 . . . . . . . . 144 GLY H . 52913 16 262 . 1 . 1 144 144 GLY N N 15 110.264 . . . . . . . . 144 GLY N . 52913 16 263 . 1 . 1 145 145 GLN H H 1 8.175 . . . . . . . . 145 GLN H . 52913 16 264 . 1 . 1 145 145 GLN N N 15 119.738 . . . . . . . . 145 GLN N . 52913 16 265 . 1 . 1 146 146 GLN H H 1 8.448 . . . . . . . . 146 GLN H . 52913 16 266 . 1 . 1 146 146 GLN N N 15 121.331 . . . . . . . . 146 GLN N . 52913 16 267 . 1 . 1 147 147 GLN H H 1 8.42 . . . . . . . . 147 GLN H . 52913 16 268 . 1 . 1 147 147 GLN N N 15 121.389 . . . . . . . . 147 GLN N . 52913 16 269 . 1 . 1 148 148 SER H H 1 8.267 . . . . . . . . 148 SER H . 52913 16 270 . 1 . 1 148 148 SER N N 15 116.695 . . . . . . . . 148 SER N . 52913 16 271 . 1 . 1 149 149 TYR H H 1 8.195 . . . . . . . . 149 TYR H . 52913 16 272 . 1 . 1 149 149 TYR N N 15 122.386 . . . . . . . . 149 TYR N . 52913 16 273 . 1 . 1 150 150 ASN H H 1 8.221 . . . . . . . . 150 ASN H . 52913 16 274 . 1 . 1 150 150 ASN N N 15 123.156 . . . . . . . . 150 ASN N . 52913 16 275 . 1 . 1 153 153 GLN H H 1 8.45 . . . . . . . . 153 GLN H . 52913 16 276 . 1 . 1 153 153 GLN N N 15 120.028 . . . . . . . . 153 GLN N . 52913 16 277 . 1 . 1 154 154 GLY H H 1 8.349 . . . . . . . . 154 GLY H . 52913 16 278 . 1 . 1 154 154 GLY N N 15 109.998 . . . . . . . . 154 GLY N . 52913 16 279 . 1 . 1 155 155 TYR H H 1 8.114 . . . . . . . . 155 TYR H . 52913 16 280 . 1 . 1 155 155 TYR N N 15 120.056 . . . . . . . . 155 TYR N . 52913 16 281 . 1 . 1 156 156 GLY H H 1 8.39 . . . . . . . . 156 GLY H . 52913 16 282 . 1 . 1 156 156 GLY N N 15 110.88 . . . . . . . . 156 GLY N . 52913 16 283 . 1 . 1 157 157 GLN H H 1 8.173 . . . . . . . . 157 GLN H . 52913 16 284 . 1 . 1 157 157 GLN N N 15 119.672 . . . . . . . . 157 GLN N . 52913 16 285 . 1 . 1 158 158 GLN H H 1 8.472 . . . . . . . . 158 GLN H . 52913 16 286 . 1 . 1 158 158 GLN N N 15 121.004 . . . . . . . . 158 GLN N . 52913 16 287 . 1 . 1 159 159 ASN H H 1 8.444 . . . . . . . . 159 ASN H . 52913 16 288 . 1 . 1 159 159 ASN N N 15 119.518 . . . . . . . . 159 ASN N . 52913 16 289 . 1 . 1 160 160 GLN H H 1 8.295 . . . . . . . . 160 GLN H . 52913 16 290 . 1 . 1 160 160 GLN N N 15 120.17 . . . . . . . . 160 GLN N . 52913 16 291 . 1 . 1 161 161 TYR H H 1 8.2 . . . . . . . . 161 TYR H . 52913 16 292 . 1 . 1 161 161 TYR N N 15 120.513 . . . . . . . . 161 TYR N . 52913 16 293 . 1 . 1 162 162 ASN H H 1 8.285 . . . . . . . . 162 ASN H . 52913 16 294 . 1 . 1 162 162 ASN N N 15 120.529 . . . . . . . . 162 ASN N . 52913 16 295 . 1 . 1 163 163 SER H H 1 7.846 . . . . . . . . 163 SER H . 52913 16 296 . 1 . 1 163 163 SER N N 15 121.374 . . . . . . . . 163 SER N . 52913 16 stop_ save_