################################### # 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 52115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 1 '2D 1H-15N HSQC' . . . 52115 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 1 $software_1 . . 52115 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 GLN H H 1 8.85 . . 1 . . . A . 2 GLN H . 52115 1 2 . 1 . 1 2 2 GLN N N 15 122.762 . . 1 . . . A . 2 GLN N . 52115 1 3 . 1 . 1 3 3 ILE H H 1 8.266 . . 1 . . . A . 3 ILE H . 52115 1 4 . 1 . 1 3 3 ILE N N 15 115.057 . . 1 . . . A . 3 ILE N . 52115 1 5 . 1 . 1 4 4 PHE H H 1 8.519 . . 1 . . . A . 4 PHE H . 52115 1 6 . 1 . 1 4 4 PHE N N 15 118.789 . . 1 . . . A . 4 PHE N . 52115 1 7 . 1 . 1 5 5 VAL H H 1 9.211 . . 1 . . . A . 5 VAL H . 52115 1 8 . 1 . 1 5 5 VAL N N 15 121.334 . . 1 . . . A . 5 VAL N . 52115 1 9 . 1 . 1 6 6 LYS H H 1 8.876 . . 1 . . . A . 6 LYS H . 52115 1 10 . 1 . 1 6 6 LYS N N 15 128.043 . . 1 . . . A . 6 LYS N . 52115 1 11 . 1 . 1 7 7 THR H H 1 8.656 . . 1 . . . A . 7 THR H . 52115 1 12 . 1 . 1 7 7 THR N N 15 115.57 . . 1 . . . A . 7 THR N . 52115 1 13 . 1 . 1 8 8 LEU H H 1 9.032 . . 1 . . . A . 8 LEU H . 52115 1 14 . 1 . 1 8 8 LEU N N 15 121.21 . . 1 . . . A . 8 LEU N . 52115 1 15 . 1 . 1 9 9 THR H H 1 7.561 . . 1 . . . A . 9 THR H . 52115 1 16 . 1 . 1 9 9 THR N N 15 105.991 . . 1 . . . A . 9 THR N . 52115 1 17 . 1 . 1 10 10 GLY H H 1 7.742 . . 1 . . . A . 10 GLY H . 52115 1 18 . 1 . 1 10 10 GLY N N 15 109.301 . . 1 . . . A . 10 GLY N . 52115 1 19 . 1 . 1 11 11 LYS H H 1 7.179 . . 1 . . . A . 11 LYS H . 52115 1 20 . 1 . 1 11 11 LYS N N 15 121.91 . . 1 . . . A . 11 LYS N . 52115 1 21 . 1 . 1 12 12 THR H H 1 8.563 . . 1 . . . A . 12 THR H . 52115 1 22 . 1 . 1 12 12 THR N N 15 120.704 . . 1 . . . A . 12 THR N . 52115 1 23 . 1 . 1 13 13 ILE H H 1 9.435 . . 1 . . . A . 13 ILE H . 52115 1 24 . 1 . 1 13 13 ILE N N 15 127.576 . . 1 . . . A . 13 ILE N . 52115 1 25 . 1 . 1 14 14 THR H H 1 8.592 . . 1 . . . A . 14 THR H . 52115 1 26 . 1 . 1 14 14 THR N N 15 122.202 . . 1 . . . A . 14 THR N . 52115 1 27 . 1 . 1 15 15 LEU H H 1 8.669 . . 1 . . . A . 15 LEU H . 52115 1 28 . 1 . 1 15 15 LEU N N 15 125.404 . . 1 . . . A . 15 LEU N . 52115 1 29 . 1 . 1 16 16 GLU H H 1 8.183 . . 1 . . . A . 16 GLU H . 52115 1 30 . 1 . 1 16 16 GLU N N 15 122.686 . . 1 . . . A . 16 GLU N . 52115 1 31 . 1 . 1 17 17 VAL H H 1 8.864 . . 1 . . . A . 17 VAL H . 52115 1 32 . 1 . 1 17 17 VAL N N 15 117.999 . . 1 . . . A . 17 VAL N . 52115 1 33 . 1 . 1 18 18 GLU H H 1 8.553 . . 1 . . . A . 18 GLU H . 52115 1 34 . 1 . 1 18 18 GLU N N 15 119.252 . . 1 . . . A . 18 GLU N . 52115 1 35 . 1 . 1 20 20 SER H H 1 6.942 . . 1 . . . A . 20 SER H . 52115 1 36 . 1 . 1 20 20 SER N N 15 103.482 . . 1 . . . A . 20 SER N . 52115 1 37 . 1 . 1 21 21 ASP H H 1 7.963 . . 1 . . . A . 21 ASP H . 52115 1 38 . 1 . 1 21 21 ASP N N 15 124.029 . . 1 . . . A . 21 ASP N . 52115 1 39 . 1 . 1 22 22 THR H H 1 7.796 . . 1 . . . A . 22 THR H . 52115 1 40 . 1 . 1 22 22 THR N N 15 109.034 . . 1 . . . A . 22 THR N . 52115 1 41 . 1 . 1 23 23 ILE H H 1 8.419 . . 1 . . . A . 23 ILE H . 52115 1 42 . 1 . 1 23 23 ILE N N 15 120.693 . . 1 . . . A . 23 ILE N . 52115 1 43 . 1 . 1 25 25 ASN H H 1 7.844 . . 1 . . . A . 25 ASN H . 52115 1 44 . 1 . 1 25 25 ASN N N 15 121.515 . . 1 . . . A . 25 ASN N . 52115 1 45 . 1 . 1 26 26 VAL H H 1 7.985 . . 1 . . . A . 26 VAL H . 52115 1 46 . 1 . 1 26 26 VAL N N 15 122.204 . . 1 . . . A . 26 VAL N . 52115 1 47 . 1 . 1 27 27 LYS H H 1 8.479 . . 1 . . . A . 27 LYS H . 52115 1 48 . 1 . 1 27 27 LYS N N 15 118.918 . . 1 . . . A . 27 LYS N . 52115 1 49 . 1 . 1 28 28 ALA H H 1 7.905 . . 1 . . . A . 28 ALA H . 52115 1 50 . 1 . 1 28 28 ALA N N 15 123.343 . . 1 . . . A . 28 ALA N . 52115 1 51 . 1 . 1 29 29 LYS H H 1 7.722 . . 1 . . . A . 29 LYS H . 52115 1 52 . 1 . 1 29 29 LYS N N 15 120.255 . . 1 . . . A . 29 LYS N . 52115 1 53 . 1 . 1 30 30 ILE H H 1 8.132 . . 1 . . . A . 30 ILE H . 52115 1 54 . 1 . 1 30 30 ILE N N 15 120.672 . . 1 . . . A . 30 ILE N . 52115 1 55 . 1 . 1 31 31 GLN H H 1 8.467 . . 1 . . . A . 31 GLN H . 52115 1 56 . 1 . 1 31 31 GLN N N 15 123.231 . . 1 . . . A . 31 GLN N . 52115 1 57 . 1 . 1 32 32 ASP H H 1 7.873 . . 1 . . . A . 32 ASP H . 52115 1 58 . 1 . 1 32 32 ASP N N 15 120.111 . . 1 . . . A . 32 ASP N . 52115 1 59 . 1 . 1 34 34 GLU H H 1 8.642 . . 1 . . . A . 34 GLU H . 52115 1 60 . 1 . 1 34 34 GLU N N 15 114.249 . . 1 . . . A . 34 GLU N . 52115 1 61 . 1 . 1 35 35 GLY H H 1 8.358 . . 1 . . . A . 35 GLY H . 52115 1 62 . 1 . 1 35 35 GLY N N 15 108.856 . . 1 . . . A . 35 GLY N . 52115 1 63 . 1 . 1 36 36 ILE H H 1 6.072 . . 1 . . . A . 36 ILE H . 52115 1 64 . 1 . 1 36 36 ILE N N 15 120.319 . . 1 . . . A . 36 ILE N . 52115 1 65 . 1 . 1 39 39 ASP H H 1 8.453 . . 1 . . . A . 39 ASP H . 52115 1 66 . 1 . 1 39 39 ASP N N 15 113.678 . . 1 . . . A . 39 ASP N . 52115 1 67 . 1 . 1 40 40 GLN H H 1 7.744 . . 1 . . . A . 40 GLN H . 52115 1 68 . 1 . 1 40 40 GLN N N 15 116.98 . . 1 . . . A . 40 GLN N . 52115 1 69 . 1 . 1 41 41 GLN H H 1 7.39 . . 1 . . . A . 41 GLN H . 52115 1 70 . 1 . 1 41 41 GLN N N 15 118.192 . . 1 . . . A . 41 GLN N . 52115 1 71 . 1 . 1 42 42 ARG H H 1 8.438 . . 1 . . . A . 42 ARG H . 52115 1 72 . 1 . 1 42 42 ARG N N 15 123.221 . . 1 . . . A . 42 ARG N . 52115 1 73 . 1 . 1 43 43 LEU H H 1 8.731 . . 1 . . . A . 43 LEU H . 52115 1 74 . 1 . 1 43 43 LEU N N 15 124.52 . . 1 . . . A . 43 LEU N . 52115 1 75 . 1 . 1 44 44 ILE H H 1 9.039 . . 1 . . . A . 44 ILE H . 52115 1 76 . 1 . 1 44 44 ILE N N 15 122.395 . . 1 . . . A . 44 ILE N . 52115 1 77 . 1 . 1 45 45 PHE H H 1 8.762 . . 1 . . . A . 45 PHE H . 52115 1 78 . 1 . 1 45 45 PHE N N 15 124.955 . . 1 . . . A . 45 PHE N . 52115 1 79 . 1 . 1 46 46 ALA H H 1 8.944 . . 1 . . . A . 46 ALA H . 52115 1 80 . 1 . 1 46 46 ALA N N 15 133.151 . . 1 . . . A . 46 ALA N . 52115 1 81 . 1 . 1 47 47 GLY H H 1 8.016 . . 1 . . . A . 47 GLY H . 52115 1 82 . 1 . 1 47 47 GLY N N 15 102.498 . . 1 . . . A . 47 GLY N . 52115 1 83 . 1 . 1 48 48 LYS H H 1 7.891 . . 1 . . . A . 48 LYS H . 52115 1 84 . 1 . 1 48 48 LYS N N 15 122.177 . . 1 . . . A . 48 LYS N . 52115 1 85 . 1 . 1 49 49 GLN H H 1 8.574 . . 1 . . . A . 49 GLN H . 52115 1 86 . 1 . 1 49 49 GLN N N 15 123.273 . . 1 . . . A . 49 GLN N . 52115 1 87 . 1 . 1 50 50 LEU H H 1 8.48 . . 1 . . . A . 50 LEU H . 52115 1 88 . 1 . 1 50 50 LEU N N 15 125.751 . . 1 . . . A . 50 LEU N . 52115 1 89 . 1 . 1 51 51 GLU H H 1 8.316 . . 1 . . . A . 51 GLU H . 52115 1 90 . 1 . 1 51 51 GLU N N 15 123.128 . . 1 . . . A . 51 GLU N . 52115 1 91 . 1 . 1 52 52 ASP H H 1 8.084 . . 1 . . . A . 52 ASP H . 52115 1 92 . 1 . 1 52 52 ASP N N 15 120.401 . . 1 . . . A . 52 ASP N . 52115 1 93 . 1 . 1 54 54 ARG H H 1 7.368 . . 1 . . . A . 54 ARG H . 52115 1 94 . 1 . 1 54 54 ARG N N 15 119.4 . . 1 . . . A . 54 ARG N . 52115 1 95 . 1 . 1 55 55 THR H H 1 8.748 . . 1 . . . A . 55 THR H . 52115 1 96 . 1 . 1 55 55 THR N N 15 108.923 . . 1 . . . A . 55 THR N . 52115 1 97 . 1 . 1 56 56 LEU H H 1 8.066 . . 1 . . . A . 56 LEU H . 52115 1 98 . 1 . 1 56 56 LEU N N 15 118.087 . . 1 . . . A . 56 LEU N . 52115 1 99 . 1 . 1 57 57 SER H H 1 8.404 . . 1 . . . A . 57 SER H . 52115 1 100 . 1 . 1 57 57 SER N N 15 113.563 . . 1 . . . A . 57 SER N . 52115 1 101 . 1 . 1 58 58 ASP H H 1 7.86 . . 1 . . . A . 58 ASP H . 52115 1 102 . 1 . 1 58 58 ASP N N 15 124.67 . . 1 . . . A . 58 ASP N . 52115 1 103 . 1 . 1 59 59 TYR H H 1 7.169 . . 1 . . . A . 59 TYR H . 52115 1 104 . 1 . 1 59 59 TYR N N 15 115.853 . . 1 . . . A . 59 TYR N . 52115 1 105 . 1 . 1 60 60 ASN H H 1 8.075 . . 1 . . . A . 60 ASN H . 52115 1 106 . 1 . 1 60 60 ASN N N 15 116.048 . . 1 . . . A . 60 ASN N . 52115 1 107 . 1 . 1 61 61 ILE H H 1 7.16 . . 1 . . . A . 61 ILE H . 52115 1 108 . 1 . 1 61 61 ILE N N 15 118.987 . . 1 . . . A . 61 ILE N . 52115 1 109 . 1 . 1 62 62 GLN H H 1 7.532 . . 1 . . . A . 62 GLN H . 52115 1 110 . 1 . 1 62 62 GLN N N 15 125.017 . . 1 . . . A . 62 GLN N . 52115 1 111 . 1 . 1 63 63 LYS H H 1 8.419 . . 1 . . . A . 63 LYS H . 52115 1 112 . 1 . 1 63 63 LYS N N 15 120.693 . . 1 . . . A . 63 LYS N . 52115 1 113 . 1 . 1 64 64 GLU H H 1 9.25 . . 1 . . . A . 64 GLU H . 52115 1 114 . 1 . 1 64 64 GLU N N 15 114.675 . . 1 . . . A . 64 GLU N . 52115 1 115 . 1 . 1 65 65 SER H H 1 7.57 . . 1 . . . A . 65 SER H . 52115 1 116 . 1 . 1 65 65 SER N N 15 115.031 . . 1 . . . A . 65 SER N . 52115 1 117 . 1 . 1 66 66 THR H H 1 8.637 . . 1 . . . A . 66 THR H . 52115 1 118 . 1 . 1 66 66 THR N N 15 117.595 . . 1 . . . A . 66 THR N . 52115 1 119 . 1 . 1 67 67 LEU H H 1 9.344 . . 1 . . . A . 67 LEU H . 52115 1 120 . 1 . 1 67 67 LEU N N 15 127.928 . . 1 . . . A . 67 LEU N . 52115 1 121 . 1 . 1 68 68 HIS H H 1 9.138 . . 1 . . . A . 68 HIS H . 52115 1 122 . 1 . 1 68 68 HIS N N 15 119.661 . . 1 . . . A . 68 HIS N . 52115 1 123 . 1 . 1 69 69 LEU H H 1 8.178 . . 1 . . . A . 69 LEU H . 52115 1 124 . 1 . 1 69 69 LEU N N 15 123.814 . . 1 . . . A . 69 LEU N . 52115 1 125 . 1 . 1 70 70 VAL H H 1 9.09 . . 1 . . . A . 70 VAL H . 52115 1 126 . 1 . 1 70 70 VAL N N 15 126.556 . . 1 . . . A . 70 VAL N . 52115 1 127 . 1 . 1 71 71 LEU H H 1 8.031 . . 1 . . . A . 71 LEU H . 52115 1 128 . 1 . 1 71 71 LEU N N 15 123.065 . . 1 . . . A . 71 LEU N . 52115 1 129 . 1 . 1 72 72 ARG H H 1 8.514 . . 1 . . . A . 72 ARG H . 52115 1 130 . 1 . 1 72 72 ARG N N 15 123.933 . . 1 . . . A . 72 ARG N . 52115 1 131 . 1 . 1 73 73 LEU H H 1 8.289 . . 1 . . . A . 73 LEU H . 52115 1 132 . 1 . 1 73 73 LEU N N 15 124.692 . . 1 . . . A . 73 LEU N . 52115 1 133 . 1 . 1 74 74 ARG H H 1 8.375 . . 1 . . . A . 74 ARG H . 52115 1 134 . 1 . 1 74 74 ARG N N 15 122.123 . . 1 . . . A . 74 ARG N . 52115 1 135 . 1 . 1 75 75 GLY H H 1 8.428 . . 1 . . . A . 75 GLY H . 52115 1 136 . 1 . 1 75 75 GLY N N 15 111.232 . . 1 . . . A . 75 GLY N . 52115 1 137 . 1 . 1 76 76 GLY H H 1 7.872 . . 1 . . . A . 76 GLY H . 52115 1 138 . 1 . 1 76 76 GLY N N 15 115.139 . . 1 . . . A . 76 GLY N . 52115 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 52115 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 2 '2D 1H-15N HSQC' . . . 52115 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 1 $software_1 . . 52115 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 GLN H H 1 8.869 . . 1 . . . B . 2 GLN H . 52115 2 2 . 1 . 1 2 2 GLN N N 15 122.879 . . 1 . . . B . 2 GLN N . 52115 2 3 . 1 . 1 3 3 ILE H H 1 8.214 . . 1 . . . B . 3 ILE H . 52115 2 4 . 1 . 1 3 3 ILE N N 15 115.092 . . 1 . . . B . 3 ILE N . 52115 2 5 . 1 . 1 4 4 PHE H H 1 8.518 . . 1 . . . B . 4 PHE H . 52115 2 6 . 1 . 1 4 4 PHE N N 15 118.646 . . 1 . . . B . 4 PHE N . 52115 2 7 . 1 . 1 5 5 VAL H H 1 9.209 . . 1 . . . B . 5 VAL H . 52115 2 8 . 1 . 1 5 5 VAL N N 15 121.349 . . 1 . . . B . 5 VAL N . 52115 2 9 . 1 . 1 6 6 LYS H H 1 8.889 . . 1 . . . B . 6 LYS H . 52115 2 10 . 1 . 1 6 6 LYS N N 15 128.075 . . 1 . . . B . 6 LYS N . 52115 2 11 . 1 . 1 7 7 THR H H 1 8.652 . . 1 . . . B . 7 THR H . 52115 2 12 . 1 . 1 7 7 THR N N 15 115.496 . . 1 . . . B . 7 THR N . 52115 2 13 . 1 . 1 8 8 LEU H H 1 9.064 . . 1 . . . B . 8 LEU H . 52115 2 14 . 1 . 1 8 8 LEU N N 15 121.38 . . 1 . . . B . 8 LEU N . 52115 2 15 . 1 . 1 9 9 THR H H 1 7.55 . . 1 . . . B . 9 THR H . 52115 2 16 . 1 . 1 9 9 THR N N 15 105.872 . . 1 . . . B . 9 THR N . 52115 2 17 . 1 . 1 10 10 GLY H H 1 7.743 . . 1 . . . B . 10 GLY H . 52115 2 18 . 1 . 1 10 10 GLY N N 15 109.302 . . 1 . . . B . 10 GLY N . 52115 2 19 . 1 . 1 11 11 LYS H H 1 7.187 . . 1 . . . B . 11 LYS H . 52115 2 20 . 1 . 1 11 11 LYS N N 15 122.019 . . 1 . . . B . 11 LYS N . 52115 2 21 . 1 . 1 12 12 THR H H 1 8.562 . . 1 . . . B . 12 THR H . 52115 2 22 . 1 . 1 12 12 THR N N 15 120.681 . . 1 . . . B . 12 THR N . 52115 2 23 . 1 . 1 13 13 ILE H H 1 9.485 . . 1 . . . B . 13 ILE H . 52115 2 24 . 1 . 1 13 13 ILE N N 15 127.908 . . 1 . . . B . 13 ILE N . 52115 2 25 . 1 . 1 14 14 THR H H 1 8.664 . . 1 . . . B . 14 THR H . 52115 2 26 . 1 . 1 14 14 THR N N 15 121.777 . . 1 . . . B . 14 THR N . 52115 2 27 . 1 . 1 15 15 LEU H H 1 8.653 . . 1 . . . B . 15 LEU H . 52115 2 28 . 1 . 1 15 15 LEU N N 15 125.253 . . 1 . . . B . 15 LEU N . 52115 2 29 . 1 . 1 16 16 GLU H H 1 8.032 . . 1 . . . B . 16 GLU H . 52115 2 30 . 1 . 1 16 16 GLU N N 15 122.404 . . 1 . . . B . 16 GLU N . 52115 2 31 . 1 . 1 17 17 VAL H H 1 8.857 . . 1 . . . B . 17 VAL H . 52115 2 32 . 1 . 1 17 17 VAL N N 15 117.591 . . 1 . . . B . 17 VAL N . 52115 2 33 . 1 . 1 18 18 GLU H H 1 8.564 . . 1 . . . B . 18 GLU H . 52115 2 34 . 1 . 1 18 18 GLU N N 15 119.336 . . 1 . . . B . 18 GLU N . 52115 2 35 . 1 . 1 20 20 SER H H 1 6.939 . . 1 . . . B . 20 SER H . 52115 2 36 . 1 . 1 20 20 SER N N 15 103.456 . . 1 . . . B . 20 SER N . 52115 2 37 . 1 . 1 21 21 ASP H H 1 7.967 . . 1 . . . B . 21 ASP H . 52115 2 38 . 1 . 1 21 21 ASP N N 15 124.02 . . 1 . . . B . 21 ASP N . 52115 2 39 . 1 . 1 22 22 THR H H 1 7.802 . . 1 . . . B . 22 THR H . 52115 2 40 . 1 . 1 22 22 THR N N 15 109.105 . . 1 . . . B . 22 THR N . 52115 2 41 . 1 . 1 23 23 ILE H H 1 8.431 . . 1 . . . B . 23 ILE H . 52115 2 42 . 1 . 1 23 23 ILE N N 15 121.276 . . 1 . . . B . 23 ILE N . 52115 2 43 . 1 . 1 25 25 ASN H H 1 7.845 . . 1 . . . B . 25 ASN H . 52115 2 44 . 1 . 1 25 25 ASN N N 15 121.517 . . 1 . . . B . 25 ASN N . 52115 2 45 . 1 . 1 26 26 VAL H H 1 8.032 . . 1 . . . B . 26 VAL H . 52115 2 46 . 1 . 1 26 26 VAL N N 15 122.404 . . 1 . . . B . 26 VAL N . 52115 2 47 . 1 . 1 27 27 LYS H H 1 8.47 . . 1 . . . B . 27 LYS H . 52115 2 48 . 1 . 1 27 27 LYS N N 15 119.035 . . 1 . . . B . 27 LYS N . 52115 2 49 . 1 . 1 28 28 ALA H H 1 7.884 . . 1 . . . B . 28 ALA H . 52115 2 50 . 1 . 1 28 28 ALA N N 15 123.543 . . 1 . . . B . 28 ALA N . 52115 2 51 . 1 . 1 29 29 LYS H H 1 7.78 . . 1 . . . B . 29 LYS H . 52115 2 52 . 1 . 1 29 29 LYS N N 15 120.355 . . 1 . . . B . 29 LYS N . 52115 2 53 . 1 . 1 30 30 ILE H H 1 8.201 . . 1 . . . B . 30 ILE H . 52115 2 54 . 1 . 1 30 30 ILE N N 15 121.45 . . 1 . . . B . 30 ILE N . 52115 2 55 . 1 . 1 31 31 GLN H H 1 8.465 . . 1 . . . B . 31 GLN H . 52115 2 56 . 1 . 1 31 31 GLN N N 15 123.679 . . 1 . . . B . 31 GLN N . 52115 2 57 . 1 . 1 32 32 ASP H H 1 7.942 . . 1 . . . B . 32 ASP H . 52115 2 58 . 1 . 1 32 32 ASP N N 15 119.824 . . 1 . . . B . 32 ASP N . 52115 2 59 . 1 . 1 33 33 LYS H H 1 7.337 . . 1 . . . B . 33 LYS H . 52115 2 60 . 1 . 1 33 33 LYS N N 15 115.53 . . 1 . . . B . 33 LYS N . 52115 2 61 . 1 . 1 34 34 GLU H H 1 8.639 . . 1 . . . B . 34 GLU H . 52115 2 62 . 1 . 1 34 34 GLU N N 15 114.366 . . 1 . . . B . 34 GLU N . 52115 2 63 . 1 . 1 35 35 GLY H H 1 8.416 . . 1 . . . B . 35 GLY H . 52115 2 64 . 1 . 1 35 35 GLY N N 15 108.933 . . 1 . . . B . 35 GLY N . 52115 2 65 . 1 . 1 36 36 ILE H H 1 6.058 . . 1 . . . B . 36 ILE H . 52115 2 66 . 1 . 1 36 36 ILE N N 15 120.415 . . 1 . . . B . 36 ILE N . 52115 2 67 . 1 . 1 39 39 ASP H H 1 8.451 . . 1 . . . B . 39 ASP H . 52115 2 68 . 1 . 1 39 39 ASP N N 15 113.723 . . 1 . . . B . 39 ASP N . 52115 2 69 . 1 . 1 40 40 GLN H H 1 7.736 . . 1 . . . B . 40 GLN H . 52115 2 70 . 1 . 1 40 40 GLN N N 15 116.949 . . 1 . . . B . 40 GLN N . 52115 2 71 . 1 . 1 41 41 GLN H H 1 7.402 . . 1 . . . B . 41 GLN H . 52115 2 72 . 1 . 1 41 41 GLN N N 15 118.128 . . 1 . . . B . 41 GLN N . 52115 2 73 . 1 . 1 42 42 ARG H H 1 8.41 . . 1 . . . B . 42 ARG H . 52115 2 74 . 1 . 1 42 42 ARG N N 15 123.121 . . 1 . . . B . 42 ARG N . 52115 2 75 . 1 . 1 43 43 LEU H H 1 8.728 . . 1 . . . B . 43 LEU H . 52115 2 76 . 1 . 1 43 43 LEU N N 15 124.451 . . 1 . . . B . 43 LEU N . 52115 2 77 . 1 . 1 44 44 ILE H H 1 9.047 . . 1 . . . B . 44 ILE H . 52115 2 78 . 1 . 1 44 44 ILE N N 15 122.474 . . 1 . . . B . 44 ILE N . 52115 2 79 . 1 . 1 45 45 PHE H H 1 8.764 . . 1 . . . B . 45 PHE H . 52115 2 80 . 1 . 1 45 45 PHE N N 15 125.014 . . 1 . . . B . 45 PHE N . 52115 2 81 . 1 . 1 46 46 ALA H H 1 8.924 . . 1 . . . B . 46 ALA H . 52115 2 82 . 1 . 1 46 46 ALA N N 15 133.085 . . 1 . . . B . 46 ALA N . 52115 2 83 . 1 . 1 47 47 GLY H H 1 8.032 . . 1 . . . B . 47 GLY H . 52115 2 84 . 1 . 1 47 47 GLY N N 15 102.505 . . 1 . . . B . 47 GLY N . 52115 2 85 . 1 . 1 48 48 LYS H H 1 7.871 . . 1 . . . B . 48 LYS H . 52115 2 86 . 1 . 1 48 48 LYS N N 15 122.005 . . 1 . . . B . 48 LYS N . 52115 2 87 . 1 . 1 49 49 GLN H H 1 8.583 . . 1 . . . B . 49 GLN H . 52115 2 88 . 1 . 1 49 49 GLN N N 15 123.257 . . 1 . . . B . 49 GLN N . 52115 2 89 . 1 . 1 50 50 LEU H H 1 8.485 . . 1 . . . B . 50 LEU H . 52115 2 90 . 1 . 1 50 50 LEU N N 15 125.786 . . 1 . . . B . 50 LEU N . 52115 2 91 . 1 . 1 51 51 GLU H H 1 8.313 . . 1 . . . B . 51 GLU H . 52115 2 92 . 1 . 1 51 51 GLU N N 15 123.203 . . 1 . . . B . 51 GLU N . 52115 2 93 . 1 . 1 52 52 ASP H H 1 8.087 . . 1 . . . B . 52 ASP H . 52115 2 94 . 1 . 1 52 52 ASP N N 15 120.526 . . 1 . . . B . 52 ASP N . 52115 2 95 . 1 . 1 54 54 ARG H H 1 7.376 . . 1 . . . B . 54 ARG H . 52115 2 96 . 1 . 1 54 54 ARG N N 15 119.438 . . 1 . . . B . 54 ARG N . 52115 2 97 . 1 . 1 55 55 THR H H 1 8.743 . . 1 . . . B . 55 THR H . 52115 2 98 . 1 . 1 55 55 THR N N 15 108.872 . . 1 . . . B . 55 THR N . 52115 2 99 . 1 . 1 56 56 LEU H H 1 8.062 . . 1 . . . B . 56 LEU H . 52115 2 100 . 1 . 1 56 56 LEU N N 15 118.084 . . 1 . . . B . 56 LEU N . 52115 2 101 . 1 . 1 57 57 SER H H 1 8.397 . . 1 . . . B . 57 SER H . 52115 2 102 . 1 . 1 57 57 SER N N 15 113.59 . . 1 . . . B . 57 SER N . 52115 2 103 . 1 . 1 58 58 ASP H H 1 7.854 . . 1 . . . B . 58 ASP H . 52115 2 104 . 1 . 1 58 58 ASP N N 15 124.648 . . 1 . . . B . 58 ASP N . 52115 2 105 . 1 . 1 59 59 TYR H H 1 7.169 . . 1 . . . B . 59 TYR H . 52115 2 106 . 1 . 1 59 59 TYR N N 15 115.846 . . 1 . . . B . 59 TYR N . 52115 2 107 . 1 . 1 60 60 ASN H H 1 8.069 . . 1 . . . B . 60 ASN H . 52115 2 108 . 1 . 1 60 60 ASN N N 15 116.059 . . 1 . . . B . 60 ASN N . 52115 2 109 . 1 . 1 61 61 ILE H H 1 7.161 . . 1 . . . B . 61 ILE H . 52115 2 110 . 1 . 1 61 61 ILE N N 15 119 . . 1 . . . B . 61 ILE N . 52115 2 111 . 1 . 1 62 62 GLN H H 1 7.537 . . 1 . . . B . 62 GLN H . 52115 2 112 . 1 . 1 62 62 GLN N N 15 125.016 . . 1 . . . B . 62 GLN N . 52115 2 113 . 1 . 1 63 63 LYS H H 1 8.418 . . 1 . . . B . 63 LYS H . 52115 2 114 . 1 . 1 63 63 LYS N N 15 120.673 . . 1 . . . B . 63 LYS N . 52115 2 115 . 1 . 1 64 64 GLU H H 1 9.24 . . 1 . . . B . 64 GLU H . 52115 2 116 . 1 . 1 64 64 GLU N N 15 114.697 . . 1 . . . B . 64 GLU N . 52115 2 117 . 1 . 1 65 65 SER H H 1 7.577 . . 1 . . . B . 65 SER H . 52115 2 118 . 1 . 1 65 65 SER N N 15 115.043 . . 1 . . . B . 65 SER N . 52115 2 119 . 1 . 1 66 66 THR H H 1 8.631 . . 1 . . . B . 66 THR H . 52115 2 120 . 1 . 1 66 66 THR N N 15 117.517 . . 1 . . . B . 66 THR N . 52115 2 121 . 1 . 1 67 67 LEU H H 1 9.325 . . 1 . . . B . 67 LEU H . 52115 2 122 . 1 . 1 67 67 LEU N N 15 127.907 . . 1 . . . B . 67 LEU N . 52115 2 123 . 1 . 1 68 68 HIS H H 1 9.137 . . 1 . . . B . 68 HIS H . 52115 2 124 . 1 . 1 68 68 HIS N N 15 119.669 . . 1 . . . B . 68 HIS N . 52115 2 125 . 1 . 1 69 69 LEU H H 1 8.189 . . 1 . . . B . 69 LEU H . 52115 2 126 . 1 . 1 69 69 LEU N N 15 123.838 . . 1 . . . B . 69 LEU N . 52115 2 127 . 1 . 1 70 70 VAL H H 1 9.095 . . 1 . . . B . 70 VAL H . 52115 2 128 . 1 . 1 70 70 VAL N N 15 126.859 . . 1 . . . B . 70 VAL N . 52115 2 129 . 1 . 1 71 71 LEU H H 1 8.036 . . 1 . . . B . 71 LEU H . 52115 2 130 . 1 . 1 71 71 LEU N N 15 123.166 . . 1 . . . B . 71 LEU N . 52115 2 131 . 1 . 1 72 72 ARG H H 1 8.5 . . 1 . . . B . 72 ARG H . 52115 2 132 . 1 . 1 72 72 ARG N N 15 123.676 . . 1 . . . B . 72 ARG N . 52115 2 133 . 1 . 1 73 73 LEU H H 1 8.324 . . 1 . . . B . 73 LEU H . 52115 2 134 . 1 . 1 73 73 LEU N N 15 124.741 . . 1 . . . B . 73 LEU N . 52115 2 135 . 1 . 1 74 74 ARG H H 1 8.405 . . 1 . . . B . 74 ARG H . 52115 2 136 . 1 . 1 74 74 ARG N N 15 122.552 . . 1 . . . B . 74 ARG N . 52115 2 137 . 1 . 1 75 75 GLY H H 1 8.438 . . 1 . . . B . 75 GLY H . 52115 2 138 . 1 . 1 75 75 GLY N N 15 110.664 . . 1 . . . B . 75 GLY N . 52115 2 139 . 1 . 1 76 76 GLY H H 1 8.321 . . 1 . . . B . 76 GLY H . 52115 2 140 . 1 . 1 76 76 GLY N N 15 109.046 . . 1 . . . B . 76 GLY N . 52115 2 stop_ save_