################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H1H TOCSY' 1 $sample_1 isotropic 7263 1 2 '1H1H NOESY' 1 $sample_1 isotropic 7263 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 GLY HA2 H 1 4.21 0.01 . 9 . . . . 1182 GLY HA2 . 7263 1 2 . 1 1 1 1 GLY HA3 H 1 4.21 0.01 . 9 . . . . 1182 GLY HA3 . 7263 1 3 . 1 1 2 2 ALA H H 1 8.50 0.01 . 1 . . . . 1183 ALA H . 7263 1 4 . 1 1 2 2 ALA HA H 1 4.32 0.01 . 1 . . . . 1183 ALA HA . 7263 1 5 . 1 1 2 2 ALA HB1 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 6 . 1 1 2 2 ALA HB2 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 7 . 1 1 2 2 ALA HB3 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 8 . 1 1 3 3 MET H H 1 8.42 0.01 . 1 . . . . 1184 MET H . 7263 1 9 . 1 1 3 3 MET HA H 1 4.49 0.01 . 1 . . . . 1184 MET HA . 7263 1 10 . 1 1 3 3 MET HB2 H 1 2.02 0.01 . 1 . . . . 1184 MET HB2 . 7263 1 11 . 1 1 3 3 MET HB3 H 1 2.02 0.01 . 1 . . . . 1184 MET HB3 . 7263 1 12 . 1 1 3 3 MET HG2 H 1 2.56 0.01 . 1 . . . . 1184 MET HG2 . 7263 1 13 . 1 1 3 3 MET HG3 H 1 2.56 0.01 . 1 . . . . 1184 MET HG3 . 7263 1 14 . 1 1 4 4 VAL H H 1 8.31 0.01 . 1 . . . . 1185 VAL H . 7263 1 15 . 1 1 4 4 VAL HA H 1 4.09 0.01 . 1 . . . . 1185 VAL HA . 7263 1 16 . 1 1 4 4 VAL HB H 1 1.98 0.01 . 1 . . . . 1185 VAL HB . 7263 1 17 . 1 1 4 4 VAL HG11 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 18 . 1 1 4 4 VAL HG12 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 19 . 1 1 4 4 VAL HG13 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 20 . 1 1 4 4 VAL HG21 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 21 . 1 1 4 4 VAL HG22 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 22 . 1 1 4 4 VAL HG23 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 23 . 1 1 5 5 LEU H H 1 8.39 0.01 . 1 . . . . 1186 LEU H . 7263 1 24 . 1 1 5 5 LEU HA H 1 4.33 0.01 . 1 . . . . 1186 LEU HA . 7263 1 25 . 1 1 5 5 LEU HB2 H 1 1.53 0.01 . 2 . . . . 1186 LEU HB2 . 7263 1 26 . 1 1 5 5 LEU HB3 H 1 1.49 0.01 . 2 . . . . 1186 LEU HB3 . 7263 1 27 . 1 1 5 5 LEU HG H 1 1.43 0.01 . 1 . . . . 1186 LEU HG . 7263 1 28 . 1 1 5 5 LEU HD11 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 29 . 1 1 5 5 LEU HD12 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 30 . 1 1 5 5 LEU HD13 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 31 . 1 1 5 5 LEU HD21 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 32 . 1 1 5 5 LEU HD22 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 33 . 1 1 5 5 LEU HD23 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 34 . 1 1 6 6 ASN H H 1 8.44 0.01 . 1 . . . . 1187 ASN H . 7263 1 35 . 1 1 6 6 ASN HA H 1 4.89 0.01 . 1 . . . . 1187 ASN HA . 7263 1 36 . 1 1 6 6 ASN HB2 H 1 2.73 0.01 . 2 . . . . 1187 ASN HB2 . 7263 1 37 . 1 1 6 6 ASN HB3 H 1 2.62 0.01 . 2 . . . . 1187 ASN HB3 . 7263 1 38 . 1 1 6 6 ASN HD21 H 1 7.61 0.01 . 2 . . . . 1187 ASN HD21 . 7263 1 39 . 1 1 6 6 ASN HD22 H 1 6.92 0.01 . 2 . . . . 1187 ASN HD22 . 7263 1 40 . 1 1 7 7 CYS H H 1 8.50 0.01 . 1 . . . . 1188 CYS H . 7263 1 41 . 1 1 7 7 CYS HA H 1 5.07 0.01 . 1 . . . . 1188 CYS HA . 7263 1 42 . 1 1 7 7 CYS HB2 H 1 3.43 0.01 . 2 . . . . 1188 CYS HB2 . 7263 1 43 . 1 1 7 7 CYS HB3 H 1 2.59 0.01 . 2 . . . . 1188 CYS HB3 . 7263 1 44 . 1 1 8 8 THR H H 1 8.76 0.01 . 1 . . . . 1189 THR H . 7263 1 45 . 1 1 8 8 THR HA H 1 4.57 0.01 . 1 . . . . 1189 THR HA . 7263 1 46 . 1 1 8 8 THR HB H 1 4.71 0.01 . 1 . . . . 1189 THR HB . 7263 1 47 . 1 1 8 8 THR HG21 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 48 . 1 1 8 8 THR HG22 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 49 . 1 1 8 8 THR HG23 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 50 . 1 1 9 9 SER H H 1 8.83 0.01 . 1 . . . . 1190 SER H . 7263 1 51 . 1 1 9 9 SER HA H 1 4.34 0.01 . 1 . . . . 1190 SER HA . 7263 1 52 . 1 1 9 9 SER HB2 H 1 4.09 0.01 . 2 . . . . 1190 SER HB2 . 7263 1 53 . 1 1 9 9 SER HB3 H 1 4.00 0.01 . 2 . . . . 1190 SER HB3 . 7263 1 54 . 1 1 10 10 ALA H H 1 7.78 0.01 . 1 . . . . 1191 ALA H . 7263 1 55 . 1 1 10 10 ALA HA H 1 4.60 0.01 . 1 . . . . 1191 ALA HA . 7263 1 56 . 1 1 10 10 ALA HB1 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 57 . 1 1 10 10 ALA HB2 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 58 . 1 1 10 10 ALA HB3 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 59 . 1 1 11 11 GLN H H 1 7.69 0.01 . 1 . . . . 1192 GLN H . 7263 1 60 . 1 1 11 11 GLN HA H 1 5.04 0.01 . 1 . . . . 1192 GLN HA . 7263 1 61 . 1 1 11 11 GLN HB2 H 1 2.27 0.01 . 1 . . . . 1192 GLN HB2 . 7263 1 62 . 1 1 11 11 GLN HB3 H 1 1.77 0.01 . 1 . . . . 1192 GLN HB3 . 7263 1 63 . 1 1 11 11 GLN HG2 H 1 2.33 0.01 . 1 . . . . 1192 GLN HG2 . 7263 1 64 . 1 1 11 11 GLN HG3 H 1 2.04 0.01 . 1 . . . . 1192 GLN HG3 . 7263 1 65 . 1 1 11 11 GLN HE21 H 1 7.55 0.01 . 2 . . . . 1192 GLN HE21 . 7263 1 66 . 1 1 11 11 GLN HE22 H 1 6.69 0.01 . 2 . . . . 1192 GLN HE22 . 7263 1 67 . 1 1 12 12 PHE H H 1 9.41 0.01 . 1 . . . . 1193 PHE H . 7263 1 68 . 1 1 12 12 PHE HA H 1 4.72 0.01 . 1 . . . . 1193 PHE HA . 7263 1 69 . 1 1 12 12 PHE HB2 H 1 3.00 0.01 . 2 . . . . 1193 PHE HB2 . 7263 1 70 . 1 1 12 12 PHE HB3 H 1 2.63 0.01 . 2 . . . . 1193 PHE HB3 . 7263 1 71 . 1 1 12 12 PHE HD1 H 1 7.12 0.01 . 1 . . . . 1193 PHE HD1 . 7263 1 72 . 1 1 12 12 PHE HD2 H 1 7.12 0.01 . 1 . . . . 1193 PHE HD2 . 7263 1 73 . 1 1 12 12 PHE HE1 H 1 7.43 0.01 . 1 . . . . 1193 PHE HE1 . 7263 1 74 . 1 1 12 12 PHE HE2 H 1 7.43 0.01 . 1 . . . . 1193 PHE HE2 . 7263 1 75 . 1 1 12 12 PHE HZ H 1 7.18 0.01 . 1 . . . . 1193 PHE HZ . 7263 1 76 . 1 1 13 13 LYS H H 1 7.89 0.01 . 1 . . . . 1194 LYS H . 7263 1 77 . 1 1 13 13 LYS HA H 1 4.49 0.01 . 1 . . . . 1194 LYS HA . 7263 1 78 . 1 1 13 13 LYS HB2 H 1 1.52 0.01 . 1 . . . . 1194 LYS HB2 . 7263 1 79 . 1 1 13 13 LYS HB3 H 1 1.52 0.01 . 1 . . . . 1194 LYS HB3 . 7263 1 80 . 1 1 13 13 LYS HG2 H 1 1.27 0.01 . 2 . . . . 1194 LYS HG2 . 7263 1 81 . 1 1 13 13 LYS HG3 H 1 1.16 0.01 . 2 . . . . 1194 LYS HG3 . 7263 1 82 . 1 1 13 13 LYS HD2 H 1 1.40 0.01 . 1 . . . . 1194 LYS HD2 . 7263 1 83 . 1 1 13 13 LYS HD3 H 1 1.40 0.01 . 1 . . . . 1194 LYS HD3 . 7263 1 84 . 1 1 13 13 LYS HE2 H 1 2.84 0.01 . 1 . . . . 1194 LYS HE2 . 7263 1 85 . 1 1 13 13 LYS HE3 H 1 2.84 0.01 . 1 . . . . 1194 LYS HE3 . 7263 1 86 . 1 1 14 14 CYS H H 1 8.02 0.01 . 1 . . . . 1195 CYS H . 7263 1 87 . 1 1 14 14 CYS HA H 1 4.59 0.01 . 1 . . . . 1195 CYS HA . 7263 1 88 . 1 1 14 14 CYS HB2 H 1 3.36 0.01 . 2 . . . . 1195 CYS HB2 . 7263 1 89 . 1 1 14 14 CYS HB3 H 1 2.64 0.01 . 2 . . . . 1195 CYS HB3 . 7263 1 90 . 1 1 15 15 ALA H H 1 9.38 0.01 . 1 . . . . 1196 ALA H . 7263 1 91 . 1 1 15 15 ALA HA H 1 3.94 0.01 . 1 . . . . 1196 ALA HA . 7263 1 92 . 1 1 15 15 ALA HB1 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 93 . 1 1 15 15 ALA HB2 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 94 . 1 1 15 15 ALA HB3 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 95 . 1 1 16 16 ASP H H 1 8.31 0.01 . 1 . . . . 1197 ASP H . 7263 1 96 . 1 1 16 16 ASP HA H 1 4.36 0.01 . 1 . . . . 1197 ASP HA . 7263 1 97 . 1 1 16 16 ASP HB2 H 1 3.02 0.01 . 2 . . . . 1197 ASP HB2 . 7263 1 98 . 1 1 16 16 ASP HB3 H 1 2.77 0.01 . 2 . . . . 1197 ASP HB3 . 7263 1 99 . 1 1 17 17 GLY H H 1 8.85 0.01 . 1 . . . . 1198 GLY H . 7263 1 100 . 1 1 17 17 GLY HA2 H 1 4.10 0.01 . 2 . . . . 1198 GLY HA2 . 7263 1 101 . 1 1 17 17 GLY HA3 H 1 3.44 0.01 . 2 . . . . 1198 GLY HA3 . 7263 1 102 . 1 1 18 18 SER H H 1 8.15 0.01 . 1 . . . . 1199 SER H . 7263 1 103 . 1 1 18 18 SER HA H 1 4.01 0.01 . 1 . . . . 1199 SER HA . 7263 1 104 . 1 1 18 18 SER HB2 H 1 3.81 0.01 . 1 . . . . 1199 SER HB2 . 7263 1 105 . 1 1 18 18 SER HB3 H 1 3.81 0.01 . 1 . . . . 1199 SER HB3 . 7263 1 106 . 1 1 19 19 SER H H 1 6.79 0.01 . 1 . . . . 1200 SER H . 7263 1 107 . 1 1 19 19 SER HA H 1 4.49 0.01 . 1 . . . . 1200 SER HA . 7263 1 108 . 1 1 19 19 SER HB2 H 1 3.81 0.01 . 1 . . . . 1200 SER HB2 . 7263 1 109 . 1 1 19 19 SER HB3 H 1 3.81 0.01 . 1 . . . . 1200 SER HB3 . 7263 1 110 . 1 1 20 20 CYS H H 1 8.44 0.01 . 1 . . . . 1201 CYS H . 7263 1 111 . 1 1 20 20 CYS HA H 1 5.37 0.01 . 1 . . . . 1201 CYS HA . 7263 1 112 . 1 1 20 20 CYS HB2 H 1 2.79 0.01 . 2 . . . . 1201 CYS HB2 . 7263 1 113 . 1 1 20 20 CYS HB3 H 1 2.69 0.01 . 2 . . . . 1201 CYS HB3 . 7263 1 114 . 1 1 21 21 ILE H H 1 9.28 0.01 . 1 . . . . 1202 ILE H . 7263 1 115 . 1 1 21 21 ILE HA H 1 5.02 0.01 . 1 . . . . 1202 ILE HA . 7263 1 116 . 1 1 21 21 ILE HB H 1 2.12 0.01 . 1 . . . . 1202 ILE HB . 7263 1 117 . 1 1 21 21 ILE HG12 H 1 1.64 0.01 . 2 . . . . 1202 ILE HG12 . 7263 1 118 . 1 1 21 21 ILE HG13 H 1 1.45 0.01 . 2 . . . . 1202 ILE HG13 . 7263 1 119 . 1 1 21 21 ILE HG21 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 120 . 1 1 21 21 ILE HG22 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 121 . 1 1 21 21 ILE HG23 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 122 . 1 1 21 21 ILE HD11 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 123 . 1 1 21 21 ILE HD12 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 124 . 1 1 21 21 ILE HD13 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 125 . 1 1 22 22 ASN H H 1 9.16 0.01 . 1 . . . . 1203 ASN H . 7263 1 126 . 1 1 22 22 ASN HA H 1 4.46 0.01 . 1 . . . . 1203 ASN HA . 7263 1 127 . 1 1 22 22 ASN HB2 H 1 2.80 0.01 . 2 . . . . 1203 ASN HB2 . 7263 1 128 . 1 1 22 22 ASN HB3 H 1 2.57 0.01 . 2 . . . . 1203 ASN HB3 . 7263 1 129 . 1 1 22 22 ASN HD21 H 1 7.70 0.01 . 2 . . . . 1203 ASN HD21 . 7263 1 130 . 1 1 22 22 ASN HD22 H 1 7.06 0.01 . 2 . . . . 1203 ASN HD22 . 7263 1 131 . 1 1 23 23 SER H H 1 8.75 0.01 . 1 . . . . 1204 SER H . 7263 1 132 . 1 1 23 23 SER HA H 1 3.89 0.01 . 1 . . . . 1204 SER HA . 7263 1 133 . 1 1 23 23 SER HB2 H 1 3.69 0.01 . 1 . . . . 1204 SER HB2 . 7263 1 134 . 1 1 23 23 SER HB3 H 1 3.69 0.01 . 1 . . . . 1204 SER HB3 . 7263 1 135 . 1 1 24 24 ARG H H 1 8.58 0.01 . 1 . . . . 1205 ARG H . 7263 1 136 . 1 1 24 24 ARG HA H 1 4.14 0.01 . 1 . . . . 1205 ARG HA . 7263 1 137 . 1 1 24 24 ARG HB2 H 1 1.56 0.01 . 2 . . . . 1205 ARG HB2 . 7263 1 138 . 1 1 24 24 ARG HB3 H 1 1.39 0.01 . 2 . . . . 1205 ARG HB3 . 7263 1 139 . 1 1 24 24 ARG HG2 H 1 1.15 0.01 . 2 . . . . 1205 ARG HG2 . 7263 1 140 . 1 1 24 24 ARG HG3 H 1 0.85 0.01 . 2 . . . . 1205 ARG HG3 . 7263 1 141 . 1 1 24 24 ARG HD2 H 1 2.95 0.01 . 1 . . . . 1205 ARG HD2 . 7263 1 142 . 1 1 24 24 ARG HD3 H 1 2.95 0.01 . 1 . . . . 1205 ARG HD3 . 7263 1 143 . 1 1 24 24 ARG HE H 1 6.90 0.01 . 1 . . . . 1205 ARG HE . 7263 1 144 . 1 1 25 25 TYR H H 1 7.87 0.01 . 1 . . . . 1206 TYR H . 7263 1 145 . 1 1 25 25 TYR HA H 1 4.89 0.01 . 1 . . . . 1206 TYR HA . 7263 1 146 . 1 1 25 25 TYR HB2 H 1 3.89 0.01 . 2 . . . . 1206 TYR HB2 . 7263 1 147 . 1 1 25 25 TYR HB3 H 1 2.75 0.01 . 2 . . . . 1206 TYR HB3 . 7263 1 148 . 1 1 25 25 TYR HD1 H 1 7.27 0.01 . 1 . . . . 1206 TYR HD1 . 7263 1 149 . 1 1 25 25 TYR HD2 H 1 7.27 0.01 . 1 . . . . 1206 TYR HD2 . 7263 1 150 . 1 1 25 25 TYR HE1 H 1 6.85 0.01 . 1 . . . . 1206 TYR HE1 . 7263 1 151 . 1 1 25 25 TYR HE2 H 1 6.85 0.01 . 1 . . . . 1206 TYR HE2 . 7263 1 152 . 1 1 26 26 ARG H H 1 7.78 0.01 . 1 . . . . 1207 ARG H . 7263 1 153 . 1 1 26 26 ARG HA H 1 4.07 0.01 . 1 . . . . 1207 ARG HA . 7263 1 154 . 1 1 26 26 ARG HB2 H 1 2.20 0.01 . 2 . . . . 1207 ARG HB2 . 7263 1 155 . 1 1 26 26 ARG HB3 H 1 1.22 0.01 . 2 . . . . 1207 ARG HB3 . 7263 1 156 . 1 1 26 26 ARG HG2 H 1 1.49 0.01 . 2 . . . . 1207 ARG HG2 . 7263 1 157 . 1 1 26 26 ARG HG3 H 1 1.35 0.01 . 2 . . . . 1207 ARG HG3 . 7263 1 158 . 1 1 26 26 ARG HD2 H 1 2.96 0.01 . 2 . . . . 1207 ARG HD2 . 7263 1 159 . 1 1 26 26 ARG HD3 H 1 1.93 0.01 . 2 . . . . 1207 ARG HD3 . 7263 1 160 . 1 1 26 26 ARG HE H 1 7.07 0.01 . 1 . . . . 1207 ARG HE . 7263 1 161 . 1 1 27 27 CYS H H 1 8.48 0.01 . 1 . . . . 1208 CYS H . 7263 1 162 . 1 1 27 27 CYS HA H 1 4.89 0.01 . 9 . . . . 1208 CYS HA . 7263 1 163 . 1 1 27 27 CYS HB2 H 1 3.34 0.01 . 2 . . . . 1208 CYS HB2 . 7263 1 164 . 1 1 27 27 CYS HB3 H 1 3.13 0.01 . 2 . . . . 1208 CYS HB3 . 7263 1 165 . 1 1 28 28 ASP H H 1 9.66 0.01 . 1 . . . . 1209 ASP H . 7263 1 166 . 1 1 28 28 ASP HA H 1 4.89 0.01 . 1 . . . . 1209 ASP HA . 7263 1 167 . 1 1 28 28 ASP HB2 H 1 3.12 0.01 . 2 . . . . 1209 ASP HB2 . 7263 1 168 . 1 1 28 28 ASP HB3 H 1 2.50 0.01 . 2 . . . . 1209 ASP HB3 . 7263 1 169 . 1 1 29 29 GLY H H 1 9.32 0.01 . 1 . . . . 1210 GLY H . 7263 1 170 . 1 1 29 29 GLY HA2 H 1 4.07 0.01 . 2 . . . . 1210 GLY HA2 . 7263 1 171 . 1 1 29 29 GLY HA3 H 1 3.35 0.01 . 2 . . . . 1210 GLY HA3 . 7263 1 172 . 1 1 30 30 VAL H H 1 7.42 0.01 . 1 . . . . 1211 VAL H . 7263 1 173 . 1 1 30 30 VAL HA H 1 3.91 0.01 . 1 . . . . 1211 VAL HA . 7263 1 174 . 1 1 30 30 VAL HB H 1 2.12 0.01 . 1 . . . . 1211 VAL HB . 7263 1 175 . 1 1 30 30 VAL HG11 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 176 . 1 1 30 30 VAL HG12 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 177 . 1 1 30 30 VAL HG13 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 178 . 1 1 30 30 VAL HG21 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 179 . 1 1 30 30 VAL HG22 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 180 . 1 1 30 30 VAL HG23 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 181 . 1 1 31 31 TYR H H 1 8.98 0.01 . 1 . . . . 1212 TYR H . 7263 1 182 . 1 1 31 31 TYR HA H 1 4.73 0.01 . 1 . . . . 1212 TYR HA . 7263 1 183 . 1 1 31 31 TYR HB2 H 1 3.22 0.01 . 2 . . . . 1212 TYR HB2 . 7263 1 184 . 1 1 31 31 TYR HB3 H 1 2.99 0.01 . 2 . . . . 1212 TYR HB3 . 7263 1 185 . 1 1 31 31 TYR HD1 H 1 6.96 0.01 . 1 . . . . 1212 TYR HD1 . 7263 1 186 . 1 1 31 31 TYR HD2 H 1 6.96 0.01 . 1 . . . . 1212 TYR HD2 . 7263 1 187 . 1 1 31 31 TYR HE1 H 1 6.82 0.01 . 1 . . . . 1212 TYR HE1 . 7263 1 188 . 1 1 31 31 TYR HE2 H 1 6.82 0.01 . 1 . . . . 1212 TYR HE2 . 7263 1 189 . 1 1 32 32 ASP H H 1 10.39 0.01 . 1 . . . . 1213 ASP H . 7263 1 190 . 1 1 32 32 ASP HA H 1 4.72 0.01 . 1 . . . . 1213 ASP HA . 7263 1 191 . 1 1 32 32 ASP HB2 H 1 2.57 0.01 . 1 . . . . 1213 ASP HB2 . 7263 1 192 . 1 1 32 32 ASP HB3 H 1 2.57 0.01 . 1 . . . . 1213 ASP HB3 . 7263 1 193 . 1 1 33 33 CYS H H 1 8.50 0.01 . 1 . . . . 1214 CYS H . 7263 1 194 . 1 1 33 33 CYS HA H 1 4.85 0.01 . 9 . . . . 1214 CYS HA . 7263 1 195 . 1 1 33 33 CYS HB2 H 1 3.62 0.01 . 2 . . . . 1214 CYS HB2 . 7263 1 196 . 1 1 33 33 CYS HB3 H 1 3.33 0.01 . 2 . . . . 1214 CYS HB3 . 7263 1 197 . 1 1 34 34 ARG H H 1 9.54 0.01 . 1 . . . . 1215 ARG H . 7263 1 198 . 1 1 34 34 ARG HA H 1 4.18 0.01 . 1 . . . . 1215 ARG HA . 7263 1 199 . 1 1 34 34 ARG HB2 H 1 2.00 0.01 . 2 . . . . 1215 ARG HB2 . 7263 1 200 . 1 1 34 34 ARG HB3 H 1 1.94 0.01 . 2 . . . . 1215 ARG HB3 . 7263 1 201 . 1 1 34 34 ARG HG2 H 1 1.76 0.01 . 2 . . . . 1215 ARG HG2 . 7263 1 202 . 1 1 34 34 ARG HG3 H 1 1.65 0.01 . 2 . . . . 1215 ARG HG3 . 7263 1 203 . 1 1 34 34 ARG HD2 H 1 3.20 0.01 . 1 . . . . 1215 ARG HD2 . 7263 1 204 . 1 1 34 34 ARG HD3 H 1 3.20 0.01 . 1 . . . . 1215 ARG HD3 . 7263 1 205 . 1 1 34 34 ARG HE H 1 7.57 0.01 . 1 . . . . 1215 ARG HE . 7263 1 206 . 1 1 35 35 ASP H H 1 7.69 0.01 . 1 . . . . 1216 ASP H . 7263 1 207 . 1 1 35 35 ASP HA H 1 4.50 0.01 . 1 . . . . 1216 ASP HA . 7263 1 208 . 1 1 35 35 ASP HB2 H 1 3.09 0.01 . 2 . . . . 1216 ASP HB2 . 7263 1 209 . 1 1 35 35 ASP HB3 H 1 2.58 0.01 . 2 . . . . 1216 ASP HB3 . 7263 1 210 . 1 1 36 36 ASN H H 1 8.19 0.01 . 1 . . . . 1217 ASN H . 7263 1 211 . 1 1 36 36 ASN HA H 1 4.30 0.01 . 1 . . . . 1217 ASN HA . 7263 1 212 . 1 1 36 36 ASN HB2 H 1 3.13 0.01 . 2 . . . . 1217 ASN HB2 . 7263 1 213 . 1 1 36 36 ASN HB3 H 1 2.82 0.01 . 2 . . . . 1217 ASN HB3 . 7263 1 214 . 1 1 36 36 ASN HD21 H 1 7.55 0.01 . 2 . . . . 1217 ASN HD21 . 7263 1 215 . 1 1 36 36 ASN HD22 H 1 6.82 0.01 . 2 . . . . 1217 ASN HD22 . 7263 1 216 . 1 1 37 37 SER H H 1 8.72 0.01 . 1 . . . . 1218 SER H . 7263 1 217 . 1 1 37 37 SER HA H 1 4.13 0.01 . 1 . . . . 1218 SER HA . 7263 1 218 . 1 1 37 37 SER HB2 H 1 4.05 0.01 . 1 . . . . 1218 SER HB2 . 7263 1 219 . 1 1 37 37 SER HB3 H 1 4.05 0.01 . 1 . . . . 1218 SER HB3 . 7263 1 220 . 1 1 38 38 ASP H H 1 10.03 0.01 . 1 . . . . 1219 ASP H . 7263 1 221 . 1 1 38 38 ASP HA H 1 3.96 0.01 . 1 . . . . 1219 ASP HA . 7263 1 222 . 1 1 38 38 ASP HB2 H 1 2.89 0.01 . 2 . . . . 1219 ASP HB2 . 7263 1 223 . 1 1 38 38 ASP HB3 H 1 2.50 0.01 . 2 . . . . 1219 ASP HB3 . 7263 1 224 . 1 1 39 39 GLU H H 1 7.58 0.01 . 1 . . . . 1220 GLU H . 7263 1 225 . 1 1 39 39 GLU HA H 1 4.86 0.01 . 1 . . . . 1220 GLU HA . 7263 1 226 . 1 1 39 39 GLU HB2 H 1 2.11 0.01 . 2 . . . . 1220 GLU HB2 . 7263 1 227 . 1 1 39 39 GLU HB3 H 1 1.60 0.01 . 2 . . . . 1220 GLU HB3 . 7263 1 228 . 1 1 39 39 GLU HG2 H 1 2.59 0.01 . 1 . . . . 1220 GLU HG2 . 7263 1 229 . 1 1 39 39 GLU HG3 H 1 2.59 0.01 . 1 . . . . 1220 GLU HG3 . 7263 1 230 . 1 1 40 40 ALA H H 1 7.21 0.01 . 1 . . . . 1221 ALA H . 7263 1 231 . 1 1 40 40 ALA HA H 1 4.64 0.01 . 1 . . . . 1221 ALA HA . 7263 1 232 . 1 1 40 40 ALA HB1 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 233 . 1 1 40 40 ALA HB2 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 234 . 1 1 40 40 ALA HB3 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 235 . 1 1 41 41 GLY H H 1 9.05 0.01 . 1 . . . . 1222 GLY H . 7263 1 236 . 1 1 41 41 GLY HA2 H 1 3.98 0.01 . 2 . . . . 1222 GLY HA2 . 7263 1 237 . 1 1 41 41 GLY HA3 H 1 3.87 0.01 . 2 . . . . 1222 GLY HA3 . 7263 1 238 . 1 1 42 42 CYS H H 1 8.03 0.01 . 1 . . . . 1223 CYS H . 7263 1 239 . 1 1 42 42 CYS HA H 1 4.72 0.01 . 1 . . . . 1223 CYS HA . 7263 1 240 . 1 1 42 42 CYS HB2 H 1 3.18 0.01 . 2 . . . . 1223 CYS HB2 . 7263 1 241 . 1 1 42 42 CYS HB3 H 1 2.77 0.01 . 2 . . . . 1223 CYS HB3 . 7263 1 242 . 1 1 43 43 PRO HA H 1 4.55 0.01 . 1 . . . . 1224 PRO HA . 7263 1 243 . 1 1 43 43 PRO HB2 H 1 2.36 0.01 . 2 . . . . 1224 PRO HB2 . 7263 1 244 . 1 1 43 43 PRO HB3 H 1 1.96 0.01 . 2 . . . . 1224 PRO HB3 . 7263 1 245 . 1 1 43 43 PRO HG2 H 1 2.09 0.01 . 1 . . . . 1224 PRO HG2 . 7263 1 246 . 1 1 43 43 PRO HG3 H 1 2.09 0.01 . 1 . . . . 1224 PRO HG3 . 7263 1 247 . 1 1 43 43 PRO HD2 H 1 3.95 0.01 . 2 . . . . 1224 PRO HD2 . 7263 1 248 . 1 1 43 43 PRO HD3 H 1 3.78 0.01 . 2 . . . . 1224 PRO HD3 . 7263 1 249 . 1 1 44 44 THR H H 1 8.34 0.01 . 1 . . . . 1225 THR H . 7263 1 250 . 1 1 44 44 THR HA H 1 4.24 0.01 . 1 . . . . 1225 THR HA . 7263 1 251 . 1 1 44 44 THR HB H 1 4.13 0.01 . 1 . . . . 1225 THR HB . 7263 1 252 . 1 1 44 44 THR HG21 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 253 . 1 1 44 44 THR HG22 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 254 . 1 1 44 44 THR HG23 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 255 . 1 1 45 45 ARG H H 1 8.42 0.01 . 1 . . . . 1226 ARG H . 7263 1 256 . 1 1 45 45 ARG HA H 1 4.66 0.01 . 1 . . . . 1226 ARG HA . 7263 1 257 . 1 1 45 45 ARG HB2 H 1 1.83 0.01 . 2 . . . . 1226 ARG HB2 . 7263 1 258 . 1 1 45 45 ARG HB3 H 1 1.72 0.01 . 2 . . . . 1226 ARG HB3 . 7263 1 259 . 1 1 45 45 ARG HG2 H 1 1.68 0.01 . 1 . . . . 1226 ARG HG2 . 7263 1 260 . 1 1 45 45 ARG HG3 H 1 1.68 0.01 . 1 . . . . 1226 ARG HG3 . 7263 1 261 . 1 1 45 45 ARG HD2 H 1 3.19 0.01 . 1 . . . . 1226 ARG HD2 . 7263 1 262 . 1 1 45 45 ARG HD3 H 1 3.19 0.01 . 1 . . . . 1226 ARG HD3 . 7263 1 263 . 1 1 45 45 ARG HE H 1 7.21 0.01 . 1 . . . . 1226 ARG HE . 7263 1 264 . 1 1 46 46 PRO HA H 1 4.72 0.01 . 1 . . . . 1227 PRO HA . 7263 1 265 . 1 1 46 46 PRO HB2 H 1 2.39 0.01 . 2 . . . . 1227 PRO HB2 . 7263 1 266 . 1 1 46 46 PRO HB3 H 1 1.94 0.01 . 2 . . . . 1227 PRO HB3 . 7263 1 267 . 1 1 46 46 PRO HG2 H 1 2.05 0.01 . 1 . . . . 1227 PRO HG2 . 7263 1 268 . 1 1 46 46 PRO HG3 H 1 2.05 0.01 . 1 . . . . 1227 PRO HG3 . 7263 1 269 . 1 1 46 46 PRO HD2 H 1 3.86 0.01 . 2 . . . . 1227 PRO HD2 . 7263 1 270 . 1 1 46 46 PRO HD3 H 1 3.61 0.01 . 2 . . . . 1227 PRO HD3 . 7263 1 271 . 1 1 47 47 PRO HA H 1 4.44 0.01 . 1 . . . . 1228 PRO HA . 7263 1 272 . 1 1 47 47 PRO HB2 H 1 2.32 0.01 . 2 . . . . 1228 PRO HB2 . 7263 1 273 . 1 1 47 47 PRO HB3 H 1 2.02 0.01 . 2 . . . . 1228 PRO HB3 . 7263 1 274 . 1 1 47 47 PRO HG2 H 1 2.07 0.01 . 1 . . . . 1228 PRO HG2 . 7263 1 275 . 1 1 47 47 PRO HG3 H 1 2.07 0.01 . 1 . . . . 1228 PRO HG3 . 7263 1 276 . 1 1 47 47 PRO HD2 H 1 3.84 0.01 . 2 . . . . 1228 PRO HD2 . 7263 1 277 . 1 1 47 47 PRO HD3 H 1 3.71 0.01 . 2 . . . . 1228 PRO HD3 . 7263 1 278 . 1 1 48 48 GLY H H 1 7.97 0.01 . 1 . . . . 1229 GLY H . 7263 1 279 . 1 1 48 48 GLY HA2 H 1 3.77 0.01 . 1 . . . . 1229 GLY HA2 . 7263 1 280 . 1 1 48 48 GLY HA3 H 1 3.77 0.01 . 1 . . . . 1229 GLY HA3 . 7263 1 stop_ save_