################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4939 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4939 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 2 2 SER HA H 1 4.536 0.020 . 1 . . . . . . . . 4939 1 2 . 1 1 2 2 SER HB2 H 1 3.930 0.020 . 2 . . . . . . . . 4939 1 3 . 1 1 2 2 SER N N 15 114.4 0.2 . 1 . . . . . . . . 4939 1 4 . 1 1 3 3 ALA H H 1 8.632 0.003 . 1 . . . . . . . . 4939 1 5 . 1 1 3 3 ALA HA H 1 4.321 0.006 . 1 . . . . . . . . 4939 1 6 . 1 1 3 3 ALA HB1 H 1 1.434 0.006 . 1 . . . . . . . . 4939 1 7 . 1 1 3 3 ALA HB2 H 1 1.434 0.006 . 1 . . . . . . . . 4939 1 8 . 1 1 3 3 ALA HB3 H 1 1.434 0.006 . 1 . . . . . . . . 4939 1 9 . 1 1 3 3 ALA N N 15 124.8 0.2 . 1 . . . . . . . . 4939 1 10 . 1 1 4 4 ALA H H 1 8.290 0.002 . 1 . . . . . . . . 4939 1 11 . 1 1 4 4 ALA HA H 1 4.260 0.005 . 1 . . . . . . . . 4939 1 12 . 1 1 4 4 ALA HB1 H 1 1.403 0.001 . 1 . . . . . . . . 4939 1 13 . 1 1 4 4 ALA HB2 H 1 1.403 0.001 . 1 . . . . . . . . 4939 1 14 . 1 1 4 4 ALA HB3 H 1 1.403 0.001 . 1 . . . . . . . . 4939 1 15 . 1 1 4 4 ALA N N 15 120.8 0.2 . 1 . . . . . . . . 4939 1 16 . 1 1 5 5 GLU H H 1 8.250 0.001 . 1 . . . . . . . . 4939 1 17 . 1 1 5 5 GLU HA H 1 4.282 0.003 . 1 . . . . . . . . 4939 1 18 . 1 1 5 5 GLU HB2 H 1 2.111 0.004 . 2 . . . . . . . . 4939 1 19 . 1 1 5 5 GLU HB3 H 1 2.033 0.006 . 2 . . . . . . . . 4939 1 20 . 1 1 5 5 GLU HG2 H 1 2.364 0.002 . 2 . . . . . . . . 4939 1 21 . 1 1 5 5 GLU HG3 H 1 2.327 0.005 . 2 . . . . . . . . 4939 1 22 . 1 1 5 5 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 4939 1 23 . 1 1 6 6 VAL H H 1 8.087 0.001 . 1 . . . . . . . . 4939 1 24 . 1 1 6 6 VAL HA H 1 4.027 0.004 . 1 . . . . . . . . 4939 1 25 . 1 1 6 6 VAL HB H 1 2.122 0.007 . 1 . . . . . . . . 4939 1 26 . 1 1 6 6 VAL HG11 H 1 0.995 0.007 . 2 . . . . . . . . 4939 1 27 . 1 1 6 6 VAL HG12 H 1 0.995 0.007 . 2 . . . . . . . . 4939 1 28 . 1 1 6 6 VAL HG13 H 1 0.995 0.007 . 2 . . . . . . . . 4939 1 29 . 1 1 6 6 VAL HG21 H 1 0.953 0.002 . 2 . . . . . . . . 4939 1 30 . 1 1 6 6 VAL HG22 H 1 0.953 0.002 . 2 . . . . . . . . 4939 1 31 . 1 1 6 6 VAL HG23 H 1 0.953 0.002 . 2 . . . . . . . . 4939 1 32 . 1 1 6 6 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 4939 1 33 . 1 1 7 7 MET H H 1 8.212 0.002 . 1 . . . . . . . . 4939 1 34 . 1 1 7 7 MET HA H 1 4.441 0.002 . 1 . . . . . . . . 4939 1 35 . 1 1 7 7 MET HB2 H 1 2.055 0.002 . 2 . . . . . . . . 4939 1 36 . 1 1 7 7 MET HG2 H 1 2.620 0.002 . 2 . . . . . . . . 4939 1 37 . 1 1 7 7 MET HG3 H 1 2.528 0.003 . 2 . . . . . . . . 4939 1 38 . 1 1 7 7 MET N N 15 121.2 0.2 . 1 . . . . . . . . 4939 1 39 . 1 1 8 8 LYS H H 1 7.987 0.002 . 1 . . . . . . . . 4939 1 40 . 1 1 8 8 LYS HA H 1 4.192 0.005 . 1 . . . . . . . . 4939 1 41 . 1 1 8 8 LYS HB2 H 1 1.751 0.014 . 2 . . . . . . . . 4939 1 42 . 1 1 8 8 LYS HG2 H 1 1.447 0.020 . 2 . . . . . . . . 4939 1 43 . 1 1 8 8 LYS HG3 H 1 1.355 0.002 . 2 . . . . . . . . 4939 1 44 . 1 1 8 8 LYS HD2 H 1 1.702 0.020 . 2 . . . . . . . . 4939 1 45 . 1 1 8 8 LYS HE2 H 1 2.988 0.002 . 2 . . . . . . . . 4939 1 46 . 1 1 8 8 LYS N N 15 120.1 0.2 . 1 . . . . . . . . 4939 1 47 . 1 1 9 9 LYS H H 1 8.247 0.003 . 1 . . . . . . . . 4939 1 48 . 1 1 9 9 LYS HA H 1 4.112 0.002 . 1 . . . . . . . . 4939 1 49 . 1 1 9 9 LYS HB2 H 1 1.631 0.003 . 2 . . . . . . . . 4939 1 50 . 1 1 9 9 LYS HG2 H 1 1.175 0.001 . 2 . . . . . . . . 4939 1 51 . 1 1 9 9 LYS HD2 H 1 1.521 0.023 . 2 . . . . . . . . 4939 1 52 . 1 1 9 9 LYS HD3 H 1 1.367 0.017 . 2 . . . . . . . . 4939 1 53 . 1 1 9 9 LYS HE2 H 1 2.853 0.002 . 2 . . . . . . . . 4939 1 54 . 1 1 9 9 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 4939 1 55 . 1 1 10 10 TYR H H 1 7.577 0.002 . 1 . . . . . . . . 4939 1 56 . 1 1 10 10 TYR HA H 1 5.289 0.005 . 1 . . . . . . . . 4939 1 57 . 1 1 10 10 TYR HB2 H 1 3.011 0.001 . 2 . . . . . . . . 4939 1 58 . 1 1 10 10 TYR HB3 H 1 2.627 0.004 . 2 . . . . . . . . 4939 1 59 . 1 1 10 10 TYR HE1 H 1 6.621 0.003 . 3 . . . . . . . . 4939 1 60 . 1 1 10 10 TYR HD1 H 1 6.937 0.004 . 3 . . . . . . . . 4939 1 61 . 1 1 10 10 TYR N N 15 119.6 0.2 . 1 . . . . . . . . 4939 1 62 . 1 1 11 11 CYS H H 1 8.790 0.005 . 1 . . . . . . . . 4939 1 63 . 1 1 11 11 CYS HA H 1 4.920 0.003 . 1 . . . . . . . . 4939 1 64 . 1 1 11 11 CYS HB2 H 1 3.027 0.007 . 2 . . . . . . . . 4939 1 65 . 1 1 11 11 CYS HB3 H 1 2.900 0.002 . 2 . . . . . . . . 4939 1 66 . 1 1 11 11 CYS N N 15 126.2 0.2 . 1 . . . . . . . . 4939 1 67 . 1 1 12 12 SER H H 1 9.047 0.002 . 1 . . . . . . . . 4939 1 68 . 1 1 12 12 SER HB2 H 1 4.158 0.001 . 2 . . . . . . . . 4939 1 69 . 1 1 12 12 SER HB3 H 1 4.038 0.003 . 2 . . . . . . . . 4939 1 70 . 1 1 12 12 SER N N 15 122.8 0.2 . 1 . . . . . . . . 4939 1 71 . 1 1 13 13 THR H H 1 8.279 0.001 . 1 . . . . . . . . 4939 1 72 . 1 1 13 13 THR HA H 1 4.133 0.004 . 1 . . . . . . . . 4939 1 73 . 1 1 13 13 THR HB H 1 4.096 0.006 . 1 . . . . . . . . 4939 1 74 . 1 1 13 13 THR HG21 H 1 1.299 0.003 . 1 . . . . . . . . 4939 1 75 . 1 1 13 13 THR HG22 H 1 1.299 0.003 . 1 . . . . . . . . 4939 1 76 . 1 1 13 13 THR HG23 H 1 1.299 0.003 . 1 . . . . . . . . 4939 1 77 . 1 1 13 13 THR N N 15 117.3 0.2 . 1 . . . . . . . . 4939 1 78 . 1 1 14 14 CYS H H 1 8.506 0.004 . 1 . . . . . . . . 4939 1 79 . 1 1 14 14 CYS HA H 1 4.178 0.008 . 1 . . . . . . . . 4939 1 80 . 1 1 14 14 CYS HB2 H 1 3.182 0.003 . 2 . . . . . . . . 4939 1 81 . 1 1 14 14 CYS HB3 H 1 2.568 0.004 . 2 . . . . . . . . 4939 1 82 . 1 1 14 14 CYS N N 15 121.0 0.2 . 1 . . . . . . . . 4939 1 83 . 1 1 15 15 ASP H H 1 8.083 0.002 . 1 . . . . . . . . 4939 1 84 . 1 1 15 15 ASP HA H 1 4.166 0.006 . 1 . . . . . . . . 4939 1 85 . 1 1 15 15 ASP HB2 H 1 3.278 0.006 . 2 . . . . . . . . 4939 1 86 . 1 1 15 15 ASP HB3 H 1 2.453 0.001 . 2 . . . . . . . . 4939 1 87 . 1 1 15 15 ASP N N 15 117.5 0.2 . 1 . . . . . . . . 4939 1 88 . 1 1 16 16 ILE H H 1 6.838 0.004 . 1 . . . . . . . . 4939 1 89 . 1 1 16 16 ILE HA H 1 4.227 0.002 . 1 . . . . . . . . 4939 1 90 . 1 1 16 16 ILE HB H 1 1.010 0.004 . 1 . . . . . . . . 4939 1 91 . 1 1 16 16 ILE HG21 H 1 0.196 0.129 . 1 . . . . . . . . 4939 1 92 . 1 1 16 16 ILE HG22 H 1 0.196 0.129 . 1 . . . . . . . . 4939 1 93 . 1 1 16 16 ILE HG23 H 1 0.196 0.129 . 1 . . . . . . . . 4939 1 94 . 1 1 16 16 ILE HG12 H 1 0.710 0.004 . 2 . . . . . . . . 4939 1 95 . 1 1 16 16 ILE HD11 H 1 1.215 0.005 . 1 . . . . . . . . 4939 1 96 . 1 1 16 16 ILE HD12 H 1 1.215 0.005 . 1 . . . . . . . . 4939 1 97 . 1 1 16 16 ILE HD13 H 1 1.215 0.005 . 1 . . . . . . . . 4939 1 98 . 1 1 16 16 ILE N N 15 113.7 0.2 . 1 . . . . . . . . 4939 1 99 . 1 1 17 17 SER H H 1 8.309 0.003 . 1 . . . . . . . . 4939 1 100 . 1 1 17 17 SER HA H 1 5.050 0.002 . 1 . . . . . . . . 4939 1 101 . 1 1 17 17 SER HB2 H 1 3.776 0.003 . 2 . . . . . . . . 4939 1 102 . 1 1 17 17 SER HB3 H 1 3.727 0.005 . 2 . . . . . . . . 4939 1 103 . 1 1 17 17 SER N N 15 118.4 0.2 . 1 . . . . . . . . 4939 1 104 . 1 1 18 18 PHE H H 1 8.617 0.002 . 1 . . . . . . . . 4939 1 105 . 1 1 18 18 PHE HA H 1 4.680 0.003 . 1 . . . . . . . . 4939 1 106 . 1 1 18 18 PHE HB2 H 1 2.707 0.003 . 2 . . . . . . . . 4939 1 107 . 1 1 18 18 PHE HB3 H 1 3.305 0.180 . 2 . . . . . . . . 4939 1 108 . 1 1 18 18 PHE HZ H 1 6.132 0.003 . 1 . . . . . . . . 4939 1 109 . 1 1 18 18 PHE HD1 H 1 7.233 0.002 . 3 . . . . . . . . 4939 1 110 . 1 1 18 18 PHE HE1 H 1 7.036 0.002 . 3 . . . . . . . . 4939 1 111 . 1 1 18 18 PHE N N 15 118.7 0.2 . 1 . . . . . . . . 4939 1 112 . 1 1 19 19 ASN H H 1 8.976 0.001 . 1 . . . . . . . . 4939 1 113 . 1 1 19 19 ASN HA H 1 4.553 0.005 . 1 . . . . . . . . 4939 1 114 . 1 1 19 19 ASN HB2 H 1 2.458 0.005 . 2 . . . . . . . . 4939 1 115 . 1 1 19 19 ASN HD21 H 1 7.380 0.020 . 2 . . . . . . . . 4939 1 116 . 1 1 19 19 ASN HD22 H 1 6.994 0.001 . 2 . . . . . . . . 4939 1 117 . 1 1 19 19 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 4939 1 118 . 1 1 20 20 TYR H H 1 7.488 0.003 . 1 . . . . . . . . 4939 1 119 . 1 1 20 20 TYR HA H 1 5.142 0.002 . 1 . . . . . . . . 4939 1 120 . 1 1 20 20 TYR HB2 H 1 2.998 0.002 . 2 . . . . . . . . 4939 1 121 . 1 1 20 20 TYR HB3 H 1 3.534 0.003 . 2 . . . . . . . . 4939 1 122 . 1 1 20 20 TYR HE1 H 1 6.933 0.004 . 3 . . . . . . . . 4939 1 123 . 1 1 20 20 TYR HD1 H 1 7.321 0.002 . 3 . . . . . . . . 4939 1 124 . 1 1 20 20 TYR N N 15 113.0 0.2 . 1 . . . . . . . . 4939 1 125 . 1 1 21 21 VAL H H 1 9.215 0.002 . 1 . . . . . . . . 4939 1 126 . 1 1 21 21 VAL HA H 1 3.822 0.004 . 1 . . . . . . . . 4939 1 127 . 1 1 21 21 VAL HB H 1 2.192 0.001 . 1 . . . . . . . . 4939 1 128 . 1 1 21 21 VAL HG11 H 1 1.170 0.002 . 2 . . . . . . . . 4939 1 129 . 1 1 21 21 VAL HG12 H 1 1.170 0.002 . 2 . . . . . . . . 4939 1 130 . 1 1 21 21 VAL HG13 H 1 1.170 0.002 . 2 . . . . . . . . 4939 1 131 . 1 1 21 21 VAL HG21 H 1 1.101 0.003 . 2 . . . . . . . . 4939 1 132 . 1 1 21 21 VAL HG22 H 1 1.101 0.003 . 2 . . . . . . . . 4939 1 133 . 1 1 21 21 VAL HG23 H 1 1.101 0.003 . 2 . . . . . . . . 4939 1 134 . 1 1 21 21 VAL N N 15 124.0 0.2 . 1 . . . . . . . . 4939 1 135 . 1 1 22 22 LYS H H 1 8.748 0.002 . 1 . . . . . . . . 4939 1 136 . 1 1 22 22 LYS HA H 1 4.081 0.003 . 1 . . . . . . . . 4939 1 137 . 1 1 22 22 LYS HB2 H 1 1.952 0.007 . 2 . . . . . . . . 4939 1 138 . 1 1 22 22 LYS HB3 H 1 1.821 0.001 . 2 . . . . . . . . 4939 1 139 . 1 1 22 22 LYS HG2 H 1 1.453 0.001 . 2 . . . . . . . . 4939 1 140 . 1 1 22 22 LYS HD2 H 1 1.692 0.006 . 2 . . . . . . . . 4939 1 141 . 1 1 22 22 LYS HD3 H 1 1.552 0.005 . 2 . . . . . . . . 4939 1 142 . 1 1 22 22 LYS HE2 H 1 2.943 0.001 . 2 . . . . . . . . 4939 1 143 . 1 1 22 22 LYS N N 15 116.1 0.2 . 1 . . . . . . . . 4939 1 144 . 1 1 23 23 THR H H 1 7.192 0.003 . 1 . . . . . . . . 4939 1 145 . 1 1 23 23 THR HA H 1 4.198 0.004 . 1 . . . . . . . . 4939 1 146 . 1 1 23 23 THR HB H 1 4.534 0.001 . 1 . . . . . . . . 4939 1 147 . 1 1 23 23 THR HG21 H 1 1.617 0.006 . 1 . . . . . . . . 4939 1 148 . 1 1 23 23 THR HG22 H 1 1.617 0.006 . 1 . . . . . . . . 4939 1 149 . 1 1 23 23 THR HG23 H 1 1.617 0.006 . 1 . . . . . . . . 4939 1 150 . 1 1 23 23 THR N N 15 111.9 0.2 . 1 . . . . . . . . 4939 1 151 . 1 1 24 24 TYR H H 1 7.480 0.003 . 1 . . . . . . . . 4939 1 152 . 1 1 24 24 TYR HA H 1 2.889 0.004 . 1 . . . . . . . . 4939 1 153 . 1 1 24 24 TYR HB2 H 1 3.182 0.005 . 2 . . . . . . . . 4939 1 154 . 1 1 24 24 TYR HB3 H 1 2.710 0.003 . 2 . . . . . . . . 4939 1 155 . 1 1 24 24 TYR HE1 H 1 6.724 0.003 . 3 . . . . . . . . 4939 1 156 . 1 1 24 24 TYR HD1 H 1 6.878 0.003 . 3 . . . . . . . . 4939 1 157 . 1 1 24 24 TYR N N 15 123.4 0.2 . 1 . . . . . . . . 4939 1 158 . 1 1 25 25 LEU H H 1 8.743 0.001 . 1 . . . . . . . . 4939 1 159 . 1 1 25 25 LEU HA H 1 3.644 0.005 . 1 . . . . . . . . 4939 1 160 . 1 1 25 25 LEU HB2 H 1 1.825 0.002 . 2 . . . . . . . . 4939 1 161 . 1 1 25 25 LEU HB3 H 1 1.420 0.005 . 2 . . . . . . . . 4939 1 162 . 1 1 25 25 LEU HG H 1 1.933 0.005 . 1 . . . . . . . . 4939 1 163 . 1 1 25 25 LEU HD11 H 1 0.904 0.010 . 2 . . . . . . . . 4939 1 164 . 1 1 25 25 LEU HD12 H 1 0.904 0.010 . 2 . . . . . . . . 4939 1 165 . 1 1 25 25 LEU HD13 H 1 0.904 0.010 . 2 . . . . . . . . 4939 1 166 . 1 1 25 25 LEU N N 15 117.7 0.2 . 1 . . . . . . . . 4939 1 167 . 1 1 26 26 ALA H H 1 7.718 0.002 . 1 . . . . . . . . 4939 1 168 . 1 1 26 26 ALA HA H 1 4.208 0.002 . 1 . . . . . . . . 4939 1 169 . 1 1 26 26 ALA HB1 H 1 1.690 0.003 . 1 . . . . . . . . 4939 1 170 . 1 1 26 26 ALA HB2 H 1 1.690 0.003 . 1 . . . . . . . . 4939 1 171 . 1 1 26 26 ALA HB3 H 1 1.690 0.003 . 1 . . . . . . . . 4939 1 172 . 1 1 26 26 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4939 1 173 . 1 1 27 27 HIS H H 1 7.891 0.004 . 1 . . . . . . . . 4939 1 174 . 1 1 27 27 HIS HA H 1 4.387 0.003 . 1 . . . . . . . . 4939 1 175 . 1 1 27 27 HIS HB2 H 1 3.346 0.002 . 2 . . . . . . . . 4939 1 176 . 1 1 27 27 HIS HB3 H 1 3.039 0.002 . 2 . . . . . . . . 4939 1 177 . 1 1 27 27 HIS HD2 H 1 6.577 0.001 . 1 . . . . . . . . 4939 1 178 . 1 1 27 27 HIS HE1 H 1 8.335 0.001 . 1 . . . . . . . . 4939 1 179 . 1 1 27 27 HIS N N 15 116.1 0.2 . 1 . . . . . . . . 4939 1 180 . 1 1 28 28 LYS H H 1 7.982 0.004 . 1 . . . . . . . . 4939 1 181 . 1 1 28 28 LYS HA H 1 3.702 0.004 . 1 . . . . . . . . 4939 1 182 . 1 1 28 28 LYS HB2 H 1 1.595 0.003 . 2 . . . . . . . . 4939 1 183 . 1 1 28 28 LYS HG2 H 1 1.168 0.001 . 2 . . . . . . . . 4939 1 184 . 1 1 28 28 LYS HG3 H 1 1.067 0.006 . 2 . . . . . . . . 4939 1 185 . 1 1 28 28 LYS HD2 H 1 1.725 0.001 . 2 . . . . . . . . 4939 1 186 . 1 1 28 28 LYS HE2 H 1 3.150 0.020 . 2 . . . . . . . . 4939 1 187 . 1 1 28 28 LYS HE3 H 1 2.990 0.002 . 2 . . . . . . . . 4939 1 188 . 1 1 28 28 LYS N N 15 114.9 0.2 . 1 . . . . . . . . 4939 1 189 . 1 1 29 29 GLN H H 1 7.610 0.003 . 1 . . . . . . . . 4939 1 190 . 1 1 29 29 GLN HA H 1 3.730 0.004 . 1 . . . . . . . . 4939 1 191 . 1 1 29 29 GLN HB2 H 1 1.053 0.001 . 2 . . . . . . . . 4939 1 192 . 1 1 29 29 GLN HB3 H 1 1.381 0.002 . 2 . . . . . . . . 4939 1 193 . 1 1 29 29 GLN HG2 H 1 1.780 0.002 . 2 . . . . . . . . 4939 1 194 . 1 1 29 29 GLN HG3 H 1 1.547 0.003 . 2 . . . . . . . . 4939 1 195 . 1 1 29 29 GLN HE21 H 1 7.029 0.002 . 2 . . . . . . . . 4939 1 196 . 1 1 29 29 GLN HE22 H 1 6.679 0.020 . 2 . . . . . . . . 4939 1 197 . 1 1 29 29 GLN N N 15 114.9 0.2 . 1 . . . . . . . . 4939 1 198 . 1 1 30 30 PHE H H 1 7.683 0.003 . 1 . . . . . . . . 4939 1 199 . 1 1 30 30 PHE HA H 1 4.669 0.001 . 1 . . . . . . . . 4939 1 200 . 1 1 30 30 PHE HB2 H 1 2.436 0.003 . 2 . . . . . . . . 4939 1 201 . 1 1 30 30 PHE HB3 H 1 1.879 0.002 . 2 . . . . . . . . 4939 1 202 . 1 1 30 30 PHE HZ H 1 7.221 0.009 . 1 . . . . . . . . 4939 1 203 . 1 1 30 30 PHE HD1 H 1 7.165 0.001 . 3 . . . . . . . . 4939 1 204 . 1 1 30 30 PHE HE1 H 1 7.276 0.001 . 3 . . . . . . . . 4939 1 205 . 1 1 30 30 PHE N N 15 110.5 0.2 . 1 . . . . . . . . 4939 1 206 . 1 1 31 31 TYR H H 1 7.835 0.003 . 1 . . . . . . . . 4939 1 207 . 1 1 31 31 TYR HA H 1 5.003 0.002 . 1 . . . . . . . . 4939 1 208 . 1 1 31 31 TYR HB2 H 1 3.549 0.002 . 2 . . . . . . . . 4939 1 209 . 1 1 31 31 TYR HB3 H 1 2.668 0.002 . 2 . . . . . . . . 4939 1 210 . 1 1 31 31 TYR HE1 H 1 6.851 0.003 . 3 . . . . . . . . 4939 1 211 . 1 1 31 31 TYR HD1 H 1 7.228 0.003 . 3 . . . . . . . . 4939 1 212 . 1 1 31 31 TYR N N 15 114.9 0.2 . 1 . . . . . . . . 4939 1 213 . 1 1 32 32 CYS H H 1 7.761 0.001 . 1 . . . . . . . . 4939 1 214 . 1 1 32 32 CYS HA H 1 3.770 0.005 . 1 . . . . . . . . 4939 1 215 . 1 1 32 32 CYS HB2 H 1 2.059 0.003 . 2 . . . . . . . . 4939 1 216 . 1 1 32 32 CYS HB3 H 1 2.549 0.001 . 2 . . . . . . . . 4939 1 217 . 1 1 32 32 CYS N N 15 122.4 0.2 . 1 . . . . . . . . 4939 1 218 . 1 1 33 33 LYS H H 1 7.795 0.002 . 1 . . . . . . . . 4939 1 219 . 1 1 33 33 LYS HA H 1 4.227 0.005 . 1 . . . . . . . . 4939 1 220 . 1 1 33 33 LYS HB2 H 1 1.871 0.003 . 2 . . . . . . . . 4939 1 221 . 1 1 33 33 LYS HG2 H 1 1.553 0.005 . 2 . . . . . . . . 4939 1 222 . 1 1 33 33 LYS HG3 H 1 1.474 0.001 . 2 . . . . . . . . 4939 1 223 . 1 1 33 33 LYS HD2 H 1 1.703 0.005 . 2 . . . . . . . . 4939 1 224 . 1 1 33 33 LYS HE2 H 1 3.043 0.005 . 2 . . . . . . . . 4939 1 225 . 1 1 33 33 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4939 1 226 . 1 1 34 34 ASN H H 1 8.442 0.001 . 1 . . . . . . . . 4939 1 227 . 1 1 34 34 ASN HA H 1 4.746 0.001 . 1 . . . . . . . . 4939 1 228 . 1 1 34 34 ASN HB2 H 1 2.846 0.004 . 2 . . . . . . . . 4939 1 229 . 1 1 34 34 ASN HB3 H 1 2.722 0.004 . 2 . . . . . . . . 4939 1 230 . 1 1 34 34 ASN HD21 H 1 7.550 0.001 . 2 . . . . . . . . 4939 1 231 . 1 1 34 34 ASN HD22 H 1 6.942 0.001 . 2 . . . . . . . . 4939 1 232 . 1 1 34 34 ASN N N 15 117.7 0.2 . 1 . . . . . . . . 4939 1 233 . 1 1 35 35 LYS H H 1 8.093 0.001 . 1 . . . . . . . . 4939 1 234 . 1 1 35 35 LYS HA H 1 4.574 0.002 . 1 . . . . . . . . 4939 1 235 . 1 1 35 35 LYS HB2 H 1 1.805 0.004 . 2 . . . . . . . . 4939 1 236 . 1 1 35 35 LYS HB3 H 1 1.731 0.002 . 2 . . . . . . . . 4939 1 237 . 1 1 35 35 LYS HG2 H 1 1.431 0.003 . 2 . . . . . . . . 4939 1 238 . 1 1 35 35 LYS N N 15 121.7 0.2 . 1 . . . . . . . . 4939 1 239 . 1 1 36 36 PRO HA H 1 4.229 0.003 . 1 . . . . . . . . 4939 1 240 . 1 1 36 36 PRO HB2 H 1 2.211 0.006 . 2 . . . . . . . . 4939 1 241 . 1 1 36 36 PRO HG2 H 1 1.957 0.004 . 2 . . . . . . . . 4939 1 242 . 1 1 36 36 PRO HG3 H 1 1.875 0.004 . 2 . . . . . . . . 4939 1 243 . 1 1 36 36 PRO HD2 H 1 3.733 0.002 . 2 . . . . . . . . 4939 1 244 . 1 1 36 36 PRO HD3 H 1 3.625 0.020 . 2 . . . . . . . . 4939 1 stop_ save_