################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18370 _Assigned_chem_shift_list.ID 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 $chemical_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' . . . 18370 1 2 '3D 1H-15N NOESY' . . . 18370 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 LYS H H 1 8.567 0.014 . 1 . . . . 1 LYS H . 18370 1 2 . 1 1 1 1 LYS N N 15 124.83 0.380 . 1 . . . . 1 LYS N . 18370 1 3 . 1 1 2 2 VAL H H 1 8.103 0.014 . 1 . . . . 2 VAL H . 18370 1 4 . 1 1 2 2 VAL N N 15 122.39 0.380 . 1 . . . . 2 VAL N . 18370 1 5 . 1 1 3 3 PHE H H 1 8.36 0.014 . 1 . . . . 3 PHE H . 18370 1 6 . 1 1 3 3 PHE N N 15 124.91 0.380 . 1 . . . . 3 PHE N . 18370 1 7 . 1 1 4 4 GLY H H 1 8.218 0.014 . 1 . . . . 4 GLY H . 18370 1 8 . 1 1 4 4 GLY N N 15 110.54 0.380 . 1 . . . . 4 GLY N . 18370 1 9 . 1 1 5 5 ARG H H 1 8.163 0.014 . 1 . . . . 5 ARG H . 18370 1 10 . 1 1 5 5 ARG N N 15 120.97 0.380 . 1 . . . . 5 ARG N . 18370 1 11 . 1 1 6 6 ALA H H 1 8.344 0.014 . 1 . . . . 6 ALA H . 18370 1 12 . 1 1 6 6 ALA N N 15 124.21 0.380 . 1 . . . . 6 ALA N . 18370 1 13 . 1 1 7 7 GLU H H 1 8.082 0.014 . 1 . . . . 7 GLU H . 18370 1 14 . 1 1 7 7 GLU N N 15 119.4 0.380 . 1 . . . . 7 GLU N . 18370 1 15 . 1 1 8 8 LEU H H 1 8.025 0.014 . 1 . . . . 8 LEU H . 18370 1 16 . 1 1 8 8 LEU N N 15 122.94 0.380 . 1 . . . . 8 LEU N . 18370 1 17 . 1 1 10 10 ALA H H 1 7.908 0.014 . 1 . . . . 10 ALA H . 18370 1 18 . 1 1 10 10 ALA N N 15 121.56 0.380 . 1 . . . . 10 ALA N . 18370 1 19 . 1 1 11 11 ALA H H 1 7.965 0.014 . 1 . . . . 11 ALA H . 18370 1 20 . 1 1 11 11 ALA N N 15 121.88 0.380 . 1 . . . . 11 ALA N . 18370 1 21 . 1 1 12 12 MET H H 1 7.954 0.014 . 1 . . . . 12 MET H . 18370 1 22 . 1 1 12 12 MET N N 15 118.23 0.380 . 1 . . . . 12 MET N . 18370 1 23 . 1 1 13 13 LYS H H 1 7.926 0.014 . 1 . . . . 13 LYS H . 18370 1 24 . 1 1 13 13 LYS N N 15 121.53 0.380 . 1 . . . . 13 LYS N . 18370 1 25 . 1 1 14 14 ARG H H 1 8.003 0.014 . 1 . . . . 14 ARG H . 18370 1 26 . 1 1 14 14 ARG N N 15 120.89 0.380 . 1 . . . . 14 ARG N . 18370 1 27 . 1 1 15 15 HIS H H 1 8.331 0.014 . 1 . . . . 15 HIS H . 18370 1 28 . 1 1 15 15 HIS N N 15 118.93 0.380 . 1 . . . . 15 HIS N . 18370 1 29 . 1 1 16 16 GLY H H 1 8.292 0.014 . 1 . . . . 16 GLY H . 18370 1 30 . 1 1 16 16 GLY N N 15 109.87 0.380 . 1 . . . . 16 GLY N . 18370 1 31 . 1 1 17 17 LEU H H 1 8.061 0.014 . 1 . . . . 17 LEU H . 18370 1 32 . 1 1 17 17 LEU N N 15 121.48 0.380 . 1 . . . . 17 LEU N . 18370 1 33 . 1 1 18 18 ASP H H 1 8.388 0.014 . 1 . . . . 18 ASP H . 18370 1 34 . 1 1 18 18 ASP N N 15 119.12 0.380 . 1 . . . . 18 ASP N . 18370 1 35 . 1 1 19 19 ASN H H 1 8.162 0.014 . 1 . . . . 19 ASN H . 18370 1 36 . 1 1 19 19 ASN N N 15 118.91 0.380 . 1 . . . . 19 ASN N . 18370 1 37 . 1 1 20 20 TYR H H 1 7.931 0.014 . 1 . . . . 20 TYR H . 18370 1 38 . 1 1 20 20 TYR N N 15 120.49 0.380 . 1 . . . . 20 TYR N . 18370 1 39 . 1 1 21 21 ARG H H 1 8.102 0.014 . 1 . . . . 21 ARG H . 18370 1 40 . 1 1 21 21 ARG N N 15 123.24 0.380 . 1 . . . . 21 ARG N . 18370 1 41 . 1 1 22 22 GLY H H 1 7.647 0.014 . 1 . . . . 22 GLY H . 18370 1 42 . 1 1 22 22 GLY N N 15 108.64 0.380 . 1 . . . . 22 GLY N . 18370 1 43 . 1 1 23 23 TYR H H 1 7.816 0.014 . 1 . . . . 23 TYR H . 18370 1 44 . 1 1 23 23 TYR N N 15 119.76 0.380 . 1 . . . . 23 TYR N . 18370 1 45 . 1 1 24 24 SER H H 1 8.13 0.014 . 1 . . . . 24 SER H . 18370 1 46 . 1 1 24 24 SER N N 15 117.48 0.380 . 1 . . . . 24 SER N . 18370 1 47 . 1 1 25 25 LEU H H 1 8.077 0.014 . 1 . . . . 25 LEU H . 18370 1 48 . 1 1 25 25 LEU N N 15 123.89 0.380 . 1 . . . . 25 LEU N . 18370 1 49 . 1 1 26 26 GLY H H 1 8.09 0.014 . 1 . . . . 26 GLY H . 18370 1 50 . 1 1 26 26 GLY N N 15 108.34 0.380 . 1 . . . . 26 GLY N . 18370 1 51 . 1 1 27 27 ASN H H 1 8.056 0.014 . 1 . . . . 27 ASN H . 18370 1 52 . 1 1 27 27 ASN N N 15 118.68 0.380 . 1 . . . . 27 ASN N . 18370 1 53 . 1 1 28 28 TRP H H 1 7.939 0.014 . 1 . . . . 28 TRP H . 18370 1 54 . 1 1 28 28 TRP N N 15 121.7 0.380 . 1 . . . . 28 TRP N . 18370 1 55 . 1 1 29 29 VAL H H 1 7.606 0.014 . 1 . . . . 29 VAL H . 18370 1 56 . 1 1 29 29 VAL N N 15 122.1 0.380 . 1 . . . . 29 VAL N . 18370 1 57 . 1 1 30 30 ALA H H 1 7.896 0.014 . 1 . . . . 30 ALA H . 18370 1 58 . 1 1 30 30 ALA N N 15 126.28 0.380 . 1 . . . . 30 ALA N . 18370 1 59 . 1 1 31 31 ALA H H 1 7.939 0.014 . 1 . . . . 31 ALA H . 18370 1 60 . 1 1 31 31 ALA N N 15 122.47 0.380 . 1 . . . . 31 ALA N . 18370 1 61 . 1 1 32 32 ALA H H 1 7.962 0.014 . 1 . . . . 32 ALA H . 18370 1 62 . 1 1 32 32 ALA N N 15 122.46 0.380 . 1 . . . . 32 ALA N . 18370 1 63 . 1 1 33 33 LYS H H 1 7.925 0.014 . 1 . . . . 33 LYS H . 18370 1 64 . 1 1 33 33 LYS N N 15 119.39 0.380 . 1 . . . . 33 LYS N . 18370 1 65 . 1 1 34 34 PHE H H 1 7.955 0.014 . 1 . . . . 34 PHE H . 18370 1 66 . 1 1 34 34 PHE N N 15 120.23 0.380 . 1 . . . . 34 PHE N . 18370 1 67 . 1 1 35 35 GLU H H 1 8.013 0.014 . 1 . . . . 35 GLU H . 18370 1 68 . 1 1 35 35 GLU N N 15 121.41 0.380 . 1 . . . . 35 GLU N . 18370 1 69 . 1 1 36 36 SER H H 1 8.132 0.014 . 1 . . . . 36 SER H . 18370 1 70 . 1 1 36 36 SER N N 15 116.48 0.380 . 1 . . . . 36 SER N . 18370 1 71 . 1 1 37 37 ASN H H 1 8.222 0.014 . 1 . . . . 37 ASN H . 18370 1 72 . 1 1 37 37 ASN N N 15 120 0.380 . 1 . . . . 37 ASN N . 18370 1 73 . 1 1 38 38 PHE H H 1 8.013 0.014 . 1 . . . . 38 PHE H . 18370 1 74 . 1 1 38 38 PHE N N 15 120.2 0.380 . 1 . . . . 38 PHE N . 18370 1 75 . 1 1 39 39 ASN H H 1 8.21 0.014 . 1 . . . . 39 ASN H . 18370 1 76 . 1 1 39 39 ASN N N 15 120 0.380 . 1 . . . . 39 ASN N . 18370 1 77 . 1 1 40 40 THR H H 1 7.98 0.014 . 1 . . . . 40 THR H . 18370 1 78 . 1 1 40 40 THR N N 15 114.32 0.380 . 1 . . . . 40 THR N . 18370 1 79 . 1 1 41 41 GLN H H 1 8.198 0.014 . 1 . . . . 41 GLN H . 18370 1 80 . 1 1 41 41 GLN N N 15 121.93 0.380 . 1 . . . . 41 GLN N . 18370 1 81 . 1 1 42 42 ALA H H 1 8.141 0.014 . 1 . . . . 42 ALA H . 18370 1 82 . 1 1 42 42 ALA N N 15 124.67 0.380 . 1 . . . . 42 ALA N . 18370 1 83 . 1 1 43 43 THR H H 1 7.957 0.014 . 1 . . . . 43 THR H . 18370 1 84 . 1 1 43 43 THR N N 15 112.55 0.380 . 1 . . . . 43 THR N . 18370 1 85 . 1 1 44 44 ASN H H 1 8.232 0.014 . 1 . . . . 44 ASN H . 18370 1 86 . 1 1 44 44 ASN N N 15 120.78 0.380 . 1 . . . . 44 ASN N . 18370 1 87 . 1 1 45 45 ARG H H 1 8.195 0.014 . 1 . . . . 45 ARG H . 18370 1 88 . 1 1 45 45 ARG N N 15 121.25 0.380 . 1 . . . . 45 ARG N . 18370 1 89 . 1 1 46 46 ASN H H 1 8.364 0.014 . 1 . . . . 46 ASN H . 18370 1 90 . 1 1 46 46 ASN N N 15 119.46 0.380 . 1 . . . . 46 ASN N . 18370 1 91 . 1 1 47 47 THR H H 1 8.038 0.014 . 1 . . . . 47 THR H . 18370 1 92 . 1 1 47 47 THR N N 15 113.89 0.380 . 1 . . . . 47 THR N . 18370 1 93 . 1 1 48 48 ASP H H 1 8.371 0.014 . 1 . . . . 48 ASP H . 18370 1 94 . 1 1 48 48 ASP N N 15 120.71 0.380 . 1 . . . . 48 ASP N . 18370 1 95 . 1 1 49 49 GLY H H 1 8.251 0.014 . 1 . . . . 49 GLY H . 18370 1 96 . 1 1 49 49 GLY N N 15 109.35 0.380 . 1 . . . . 49 GLY N . 18370 1 97 . 1 1 50 50 SER H H 1 8.041 0.014 . 1 . . . . 50 SER H . 18370 1 98 . 1 1 50 50 SER N N 15 115.38 0.380 . 1 . . . . 50 SER N . 18370 1 99 . 1 1 51 51 THR H H 1 8.071 0.014 . 1 . . . . 51 THR H . 18370 1 100 . 1 1 51 51 THR N N 15 115.47 0.380 . 1 . . . . 51 THR N . 18370 1 101 . 1 1 52 52 ASP H H 1 8.249 0.014 . 1 . . . . 52 ASP H . 18370 1 102 . 1 1 52 52 ASP N N 15 120.83 0.380 . 1 . . . . 52 ASP N . 18370 1 103 . 1 1 53 53 TYR H H 1 7.989 0.014 . 1 . . . . 53 TYR H . 18370 1 104 . 1 1 53 53 TYR N N 15 120.72 0.380 . 1 . . . . 53 TYR N . 18370 1 105 . 1 1 54 54 GLY H H 1 8.143 0.014 . 1 . . . . 54 GLY H . 18370 1 106 . 1 1 54 54 GLY N N 15 109.63 0.380 . 1 . . . . 54 GLY N . 18370 1 107 . 1 1 55 55 ILE H H 1 7.705 0.014 . 1 . . . . 55 ILE H . 18370 1 108 . 1 1 55 55 ILE N N 15 119.56 0.380 . 1 . . . . 55 ILE N . 18370 1 109 . 1 1 56 56 LEU H H 1 8.075 0.014 . 1 . . . . 56 LEU H . 18370 1 110 . 1 1 56 56 LEU N N 15 124.73 0.380 . 1 . . . . 56 LEU N . 18370 1 111 . 1 1 57 57 GLN H H 1 8.133 0.014 . 1 . . . . 57 GLN H . 18370 1 112 . 1 1 57 57 GLN N N 15 121.16 0.380 . 1 . . . . 57 GLN N . 18370 1 113 . 1 1 58 58 ILE H H 1 7.948 0.014 . 1 . . . . 58 ILE H . 18370 1 114 . 1 1 58 58 ILE N N 15 121.3 0.380 . 1 . . . . 58 ILE N . 18370 1 115 . 1 1 59 59 ASN H H 1 8.223 0.014 . 1 . . . . 59 ASN H . 18370 1 116 . 1 1 59 59 ASN N N 15 121.44 0.380 . 1 . . . . 59 ASN N . 18370 1 117 . 1 1 60 60 SER H H 1 8.061 0.014 . 1 . . . . 60 SER H . 18370 1 118 . 1 1 60 60 SER N N 15 116.15 0.380 . 1 . . . . 60 SER N . 18370 1 119 . 1 1 61 61 ARG H H 1 8.094 0.014 . 1 . . . . 61 ARG H . 18370 1 120 . 1 1 61 61 ARG N N 15 122.07 0.380 . 1 . . . . 61 ARG N . 18370 1 121 . 1 1 62 62 TRP H H 1 7.684 0.014 . 1 . . . . 62 TRP H . 18370 1 122 . 1 1 62 62 TRP N N 15 120.53 0.380 . 1 . . . . 62 TRP N . 18370 1 123 . 1 1 63 63 TRP H H 1 7.26 0.014 . 1 . . . . 63 TRP H . 18370 1 124 . 1 1 63 63 TRP N N 15 120.63 0.380 . 1 . . . . 63 TRP N . 18370 1 125 . 1 1 64 64 ALA H H 1 7.589 0.014 . 1 . . . . 64 ALA H . 18370 1 126 . 1 1 64 64 ALA N N 15 123.98 0.380 . 1 . . . . 64 ALA N . 18370 1 127 . 1 1 65 65 ASN H H 1 7.973 0.014 . 1 . . . . 65 ASN H . 18370 1 128 . 1 1 65 65 ASN N N 15 116.88 0.380 . 1 . . . . 65 ASN N . 18370 1 129 . 1 1 66 66 ASP H H 1 8.198 0.014 . 1 . . . . 66 ASP H . 18370 1 130 . 1 1 66 66 ASP N N 15 118.31 0.380 . 1 . . . . 66 ASP N . 18370 1 131 . 1 1 67 67 GLY H H 1 8.187 0.014 . 1 . . . . 67 GLY H . 18370 1 132 . 1 1 67 67 GLY N N 15 108.24 0.380 . 1 . . . . 67 GLY N . 18370 1 133 . 1 1 68 68 ARG H H 1 7.836 0.014 . 1 . . . . 68 ARG H . 18370 1 134 . 1 1 68 68 ARG N N 15 119.75 0.380 . 1 . . . . 68 ARG N . 18370 1 135 . 1 1 69 69 THR H H 1 8.097 0.014 . 1 . . . . 69 THR H . 18370 1 136 . 1 1 69 69 THR N N 15 116.94 0.380 . 1 . . . . 69 THR N . 18370 1 137 . 1 1 71 71 GLY H H 1 8.34 0.014 . 1 . . . . 71 GLY H . 18370 1 138 . 1 1 71 71 GLY N N 15 109.19 0.380 . 1 . . . . 71 GLY N . 18370 1 139 . 1 1 72 72 SER H H 1 7.991 0.014 . 1 . . . . 72 SER H . 18370 1 140 . 1 1 72 72 SER N N 15 115.37 0.380 . 1 . . . . 72 SER N . 18370 1 141 . 1 1 73 73 ARG H H 1 8.28 0.014 . 1 . . . . 73 ARG H . 18370 1 142 . 1 1 73 73 ARG N N 15 122.47 0.380 . 1 . . . . 73 ARG N . 18370 1 143 . 1 1 74 74 ASN H H 1 8.298 0.014 . 1 . . . . 74 ASN H . 18370 1 144 . 1 1 74 74 ASN N N 15 119.56 0.380 . 1 . . . . 74 ASN N . 18370 1 145 . 1 1 75 75 LEU H H 1 8.119 0.014 . 1 . . . . 75 LEU H . 18370 1 146 . 1 1 75 75 LEU N N 15 122.99 0.380 . 1 . . . . 75 LEU N . 18370 1 147 . 1 1 76 76 ALA H H 1 8.049 0.014 . 1 . . . . 76 ALA H . 18370 1 148 . 1 1 76 76 ALA N N 15 123.32 0.380 . 1 . . . . 76 ALA N . 18370 1 149 . 1 1 77 77 ASN H H 1 8.137 0.014 . 1 . . . . 77 ASN H . 18370 1 150 . 1 1 77 77 ASN N N 15 117.16 0.380 . 1 . . . . 77 ASN N . 18370 1 151 . 1 1 78 78 ILE H H 1 7.87 0.014 . 1 . . . . 78 ILE H . 18370 1 152 . 1 1 78 78 ILE N N 15 122.62 0.380 . 1 . . . . 78 ILE N . 18370 1 153 . 1 1 80 80 ALA H H 1 8.348 0.014 . 1 . . . . 80 ALA H . 18370 1 154 . 1 1 80 80 ALA N N 15 124.37 0.380 . 1 . . . . 80 ALA N . 18370 1 155 . 1 1 81 81 SER H H 1 8.111 0.014 . 1 . . . . 81 SER H . 18370 1 156 . 1 1 81 81 SER N N 15 113.63 0.380 . 1 . . . . 81 SER N . 18370 1 157 . 1 1 82 82 ALA H H 1 8.09 0.014 . 1 . . . . 82 ALA H . 18370 1 158 . 1 1 82 82 ALA N N 15 125.68 0.380 . 1 . . . . 82 ALA N . 18370 1 159 . 1 1 83 83 LEU H H 1 7.839 0.014 . 1 . . . . 83 LEU H . 18370 1 160 . 1 1 83 83 LEU N N 15 120.17 0.380 . 1 . . . . 83 LEU N . 18370 1 161 . 1 1 84 84 LEU H H 1 7.898 0.014 . 1 . . . . 84 LEU H . 18370 1 162 . 1 1 84 84 LEU N N 15 121.9 0.380 . 1 . . . . 84 LEU N . 18370 1 163 . 1 1 85 85 SER H H 1 8.088 0.014 . 1 . . . . 85 SER H . 18370 1 164 . 1 1 85 85 SER N N 15 115.85 0.380 . 1 . . . . 85 SER N . 18370 1 165 . 1 1 86 86 SER H H 1 8.117 0.014 . 1 . . . . 86 SER H . 18370 1 166 . 1 1 86 86 SER N N 15 117.05 0.380 . 1 . . . . 86 SER N . 18370 1 167 . 1 1 87 87 ASP H H 1 8.275 0.014 . 1 . . . . 87 ASP H . 18370 1 168 . 1 1 87 87 ASP N N 15 120.68 0.380 . 1 . . . . 87 ASP N . 18370 1 169 . 1 1 88 88 ILE H H 1 7.938 0.014 . 1 . . . . 88 ILE H . 18370 1 170 . 1 1 88 88 ILE N N 15 121.16 0.380 . 1 . . . . 88 ILE N . 18370 1 171 . 1 1 89 89 THR H H 1 8.02 0.014 . 1 . . . . 89 THR H . 18370 1 172 . 1 1 89 89 THR N N 15 117.83 0.380 . 1 . . . . 89 THR N . 18370 1 173 . 1 1 90 90 ALA H H 1 8.117 0.014 . 1 . . . . 90 ALA H . 18370 1 174 . 1 1 90 90 ALA N N 15 126.08 0.380 . 1 . . . . 90 ALA N . 18370 1 175 . 1 1 91 91 SER H H 1 8.138 0.014 . 1 . . . . 91 SER H . 18370 1 176 . 1 1 91 91 SER N N 15 115.22 0.380 . 1 . . . . 91 SER N . 18370 1 177 . 1 1 92 92 VAL H H 1 8.029 0.014 . 1 . . . . 92 VAL H . 18370 1 178 . 1 1 92 92 VAL N N 15 121.86 0.380 . 1 . . . . 92 VAL N . 18370 1 179 . 1 1 93 93 ASN H H 1 8.285 0.014 . 1 . . . . 93 ASN H . 18370 1 180 . 1 1 93 93 ASN N N 15 121.36 0.380 . 1 . . . . 93 ASN N . 18370 1 181 . 1 1 94 94 ALA H H 1 8.078 0.014 . 1 . . . . 94 ALA H . 18370 1 182 . 1 1 94 94 ALA N N 15 124.48 0.380 . 1 . . . . 94 ALA N . 18370 1 183 . 1 1 95 95 ALA H H 1 8.01 0.014 . 1 . . . . 95 ALA H . 18370 1 184 . 1 1 95 95 ALA N N 15 122.36 0.380 . 1 . . . . 95 ALA N . 18370 1 185 . 1 1 96 96 LYS H H 1 7.963 0.014 . 1 . . . . 96 LYS H . 18370 1 186 . 1 1 96 96 LYS N N 15 119.96 0.380 . 1 . . . . 96 LYS N . 18370 1 187 . 1 1 97 97 LYS H H 1 8.079 0.014 . 1 . . . . 97 LYS H . 18370 1 188 . 1 1 97 97 LYS N N 15 122.59 0.380 . 1 . . . . 97 LYS N . 18370 1 189 . 1 1 98 98 ILE H H 1 8.093 0.014 . 1 . . . . 98 ILE H . 18370 1 190 . 1 1 98 98 ILE N N 15 123.17 0.380 . 1 . . . . 98 ILE N . 18370 1 191 . 1 1 99 99 VAL H H 1 8.172 0.014 . 1 . . . . 99 VAL H . 18370 1 192 . 1 1 99 99 VAL N N 15 125.26 0.380 . 1 . . . . 99 VAL N . 18370 1 193 . 1 1 100 100 SER H H 1 8.312 0.014 . 1 . . . . 100 SER H . 18370 1 194 . 1 1 100 100 SER N N 15 119.56 0.380 . 1 . . . . 100 SER N . 18370 1 195 . 1 1 101 101 ASP H H 1 8.442 0.014 . 1 . . . . 101 ASP H . 18370 1 196 . 1 1 101 101 ASP N N 15 121.31 0.380 . 1 . . . . 101 ASP N . 18370 1 197 . 1 1 102 102 GLY H H 1 8.282 0.014 . 1 . . . . 102 GLY H . 18370 1 198 . 1 1 102 102 GLY N N 15 109.21 0.380 . 1 . . . . 102 GLY N . 18370 1 199 . 1 1 103 103 ASN H H 1 8.225 0.014 . 1 . . . . 103 ASN H . 18370 1 200 . 1 1 103 103 ASN N N 15 118.48 0.380 . 1 . . . . 103 ASN N . 18370 1 201 . 1 1 104 104 GLY H H 1 8.352 0.014 . 1 . . . . 104 GLY H . 18370 1 202 . 1 1 104 104 GLY N N 15 109.16 0.380 . 1 . . . . 104 GLY N . 18370 1 203 . 1 1 105 105 MET H H 1 8.079 0.014 . 1 . . . . 105 MET H . 18370 1 204 . 1 1 105 105 MET N N 15 119.72 0.380 . 1 . . . . 105 MET N . 18370 1 205 . 1 1 106 106 ASN H H 1 8.272 0.014 . 1 . . . . 106 ASN H . 18370 1 206 . 1 1 106 106 ASN N N 15 119.22 0.380 . 1 . . . . 106 ASN N . 18370 1 207 . 1 1 107 107 ALA H H 1 8.071 0.014 . 1 . . . . 107 ALA H . 18370 1 208 . 1 1 107 107 ALA N N 15 123.7 0.380 . 1 . . . . 107 ALA N . 18370 1 209 . 1 1 108 108 TRP H H 1 7.911 0.014 . 1 . . . . 108 TRP H . 18370 1 210 . 1 1 108 108 TRP N N 15 119.63 0.380 . 1 . . . . 108 TRP N . 18370 1 211 . 1 1 109 109 VAL H H 1 7.604 0.014 . 1 . . . . 109 VAL H . 18370 1 212 . 1 1 109 109 VAL N N 15 121.12 0.380 . 1 . . . . 109 VAL N . 18370 1 213 . 1 1 110 110 ALA H H 1 7.9 0.014 . 1 . . . . 110 ALA H . 18370 1 214 . 1 1 110 110 ALA N N 15 124.75 0.380 . 1 . . . . 110 ALA N . 18370 1 215 . 1 1 111 111 TRP H H 1 7.762 0.014 . 1 . . . . 111 TRP H . 18370 1 216 . 1 1 111 111 TRP N N 15 119 0.380 . 1 . . . . 111 TRP N . 18370 1 217 . 1 1 112 112 ARG H H 1 7.822 0.014 . 1 . . . . 112 ARG H . 18370 1 218 . 1 1 112 112 ARG N N 15 120.99 0.380 . 1 . . . . 112 ARG N . 18370 1 219 . 1 1 113 113 ASN H H 1 7.983 0.014 . 1 . . . . 113 ASN H . 18370 1 220 . 1 1 113 113 ASN N N 15 118.06 0.380 . 1 . . . . 113 ASN N . 18370 1 221 . 1 1 114 114 ARG H H 1 7.814 0.014 . 1 . . . . 114 ARG H . 18370 1 222 . 1 1 114 114 ARG N N 15 120.99 0.380 . 1 . . . . 114 ARG N . 18370 1 223 . 1 1 115 115 ALA H H 1 8.064 0.014 . 1 . . . . 115 ALA H . 18370 1 224 . 1 1 115 115 ALA N N 15 124.48 0.380 . 1 . . . . 115 ALA N . 18370 1 225 . 1 1 116 116 LYS H H 1 8.105 0.014 . 1 . . . . 116 LYS H . 18370 1 226 . 1 1 116 116 LYS N N 15 120.42 0.380 . 1 . . . . 116 LYS N . 18370 1 227 . 1 1 117 117 GLY H H 1 8.239 0.014 . 1 . . . . 117 GLY H . 18370 1 228 . 1 1 117 117 GLY N N 15 109.68 0.380 . 1 . . . . 117 GLY N . 18370 1 229 . 1 1 118 118 THR H H 1 7.939 0.014 . 1 . . . . 118 THR H . 18370 1 230 . 1 1 118 118 THR N N 15 113.18 0.380 . 1 . . . . 118 THR N . 18370 1 231 . 1 1 119 119 ASP H H 1 8.456 0.014 . 1 . . . . 119 ASP H . 18370 1 232 . 1 1 119 119 ASP N N 15 121.46 0.380 . 1 . . . . 119 ASP N . 18370 1 233 . 1 1 120 120 VAL H H 1 7.86 0.014 . 1 . . . . 120 VAL H . 18370 1 234 . 1 1 120 120 VAL N N 15 120.14 0.380 . 1 . . . . 120 VAL N . 18370 1 235 . 1 1 121 121 GLN H H 1 8.324 0.014 . 1 . . . . 121 GLN H . 18370 1 236 . 1 1 121 121 GLN N N 15 123.88 0.380 . 1 . . . . 121 GLN N . 18370 1 237 . 1 1 123 123 GLY H H 1 8.209 0.014 . 1 . . . . 123 GLY H . 18370 1 238 . 1 1 123 123 GLY N N 15 107.86 0.380 . 1 . . . . 123 GLY N . 18370 1 239 . 1 1 124 124 ILE H H 1 8.178 0.014 . 1 . . . . 124 ILE H . 18370 1 240 . 1 1 124 124 ILE N N 15 125 0.380 . 1 . . . . 124 ILE N . 18370 1 241 . 1 1 125 125 ARG H H 1 8.372 0.014 . 1 . . . . 125 ARG H . 18370 1 242 . 1 1 125 125 ARG N N 15 125.14 0.380 . 1 . . . . 125 ARG N . 18370 1 243 . 1 1 126 126 GLY H H 1 8.269 0.014 . 1 . . . . 126 GLY H . 18370 1 244 . 1 1 126 126 GLY N N 15 110.25 0.380 . 1 . . . . 126 GLY N . 18370 1 245 . 1 1 127 127 ALA H H 1 7.977 0.014 . 1 . . . . 127 ALA H . 18370 1 246 . 1 1 127 127 ALA N N 15 123.62 0.380 . 1 . . . . 127 ALA N . 18370 1 247 . 1 1 128 128 ARG H H 1 8.212 0.014 . 1 . . . . 128 ARG H . 18370 1 248 . 1 1 128 128 ARG N N 15 120.36 0.380 . 1 . . . . 128 ARG N . 18370 1 249 . 1 1 129 129 LEU H H 1 8.29 0.014 . 1 . . . . 129 LEU H . 18370 1 250 . 1 1 129 129 LEU N N 15 124.63 0.380 . 1 . . . . 129 LEU N . 18370 1 stop_ save_