################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 18498 _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 0.02 _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-1H NOESY' . . . 18498 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 PRO HA H 1 4.260 0.02 . 1 . . . A 231 PRO HA . 18498 1 2 . 1 1 2 2 PRO HB2 H 1 1.796 0.02 . 2 . . . A 231 PRO HB2 . 18498 1 3 . 1 1 2 2 PRO HB3 H 1 1.721 0.004 . 2 . . . A 231 PRO HB3 . 18498 1 4 . 1 1 2 2 PRO HG2 H 1 2.077 0.003 . 2 . . . A 231 PRO HG2 . 18498 1 5 . 1 1 2 2 PRO HD2 H 1 3.368 0.02 . 2 . . . A 231 PRO HD2 . 18498 1 6 . 1 1 3 3 LEU H H 1 8.585 0.02 . 1 . . . A 232 LEU H . 18498 1 7 . 1 1 3 3 LEU HA H 1 3.954 0.02 . 1 . . . A 232 LEU HA . 18498 1 8 . 1 1 3 3 LEU HB2 H 1 1.607 0.002 . 2 . . . A 232 LEU HB2 . 18498 1 9 . 1 1 3 3 LEU HG H 1 1.174 0.02 . 1 . . . A 232 LEU HG . 18498 1 10 . 1 1 3 3 LEU HD11 H 1 0.894 0.071 . 2 . . . A 232 LEU HD11 . 18498 1 11 . 1 1 3 3 LEU HD12 H 1 0.894 0.071 . 2 . . . A 232 LEU HD12 . 18498 1 12 . 1 1 3 3 LEU HD13 H 1 0.894 0.071 . 2 . . . A 232 LEU HD13 . 18498 1 13 . 1 1 3 3 LEU HD21 H 1 0.582 0.02 . 2 . . . A 232 LEU HD21 . 18498 1 14 . 1 1 3 3 LEU HD22 H 1 0.582 0.02 . 2 . . . A 232 LEU HD22 . 18498 1 15 . 1 1 3 3 LEU HD23 H 1 0.582 0.02 . 2 . . . A 232 LEU HD23 . 18498 1 16 . 1 1 4 4 PRO HA H 1 4.280 0.02 . 1 . . . A 233 PRO HA . 18498 1 17 . 1 1 4 4 PRO HB2 H 1 2.217 0.02 . 2 . . . A 233 PRO HB2 . 18498 1 18 . 1 1 4 4 PRO HB3 H 1 1.796 0.02 . 2 . . . A 233 PRO HB3 . 18498 1 19 . 1 1 4 4 PRO HG2 H 1 1.558 0.02 . 2 . . . A 233 PRO HG2 . 18498 1 20 . 1 1 4 4 PRO HG3 H 1 1.353 0.004 . 2 . . . A 233 PRO HG3 . 18498 1 21 . 1 1 4 4 PRO HD2 H 1 3.172 0.02 . 2 . . . A 233 PRO HD2 . 18498 1 22 . 1 1 4 4 PRO HD3 H 1 2.713 0.02 . 2 . . . A 233 PRO HD3 . 18498 1 23 . 1 1 5 5 ASP H H 1 8.308 0.02 . 1 . . . A 234 ASP H . 18498 1 24 . 1 1 5 5 ASP HA H 1 4.218 0.02 . 1 . . . A 234 ASP HA . 18498 1 25 . 1 1 5 5 ASP HB2 H 1 2.511 0.002 . 2 . . . A 234 ASP HB2 . 18498 1 26 . 1 1 5 5 ASP HB3 H 1 2.390 0.002 . 2 . . . A 234 ASP HB3 . 18498 1 27 . 1 1 6 6 GLY H H 1 8.677 0.02 . 1 . . . A 235 GLY H . 18498 1 28 . 1 1 6 6 GLY HA2 H 1 3.550 0.02 . 2 . . . A 235 GLY HA2 . 18498 1 29 . 1 1 6 6 GLY HA3 H 1 4.007 0.02 . 2 . . . A 235 GLY HA3 . 18498 1 30 . 1 1 7 7 TRP H H 1 7.733 0.02 . 1 . . . A 236 TRP H . 18498 1 31 . 1 1 7 7 TRP HA H 1 5.777 0.02 . 1 . . . A 236 TRP HA . 18498 1 32 . 1 1 7 7 TRP HB2 H 1 3.075 0.02 . 2 . . . A 236 TRP HB2 . 18498 1 33 . 1 1 7 7 TRP HB3 H 1 2.799 0.02 . 2 . . . A 236 TRP HB3 . 18498 1 34 . 1 1 7 7 TRP HD1 H 1 6.826 0.02 . 1 . . . A 236 TRP HD1 . 18498 1 35 . 1 1 7 7 TRP HE1 H 1 10.227 0.02 . 1 . . . A 236 TRP HE1 . 18498 1 36 . 1 1 7 7 TRP HE3 H 1 7.222 0.02 . 1 . . . A 236 TRP HE3 . 18498 1 37 . 1 1 7 7 TRP HZ2 H 1 7.276 0.02 . 1 . . . A 236 TRP HZ2 . 18498 1 38 . 1 1 7 7 TRP HZ3 H 1 6.619 0.007 . 1 . . . A 236 TRP HZ3 . 18498 1 39 . 1 1 7 7 TRP HH2 H 1 6.983 0.02 . 1 . . . A 236 TRP HH2 . 18498 1 40 . 1 1 8 8 GLU H H 1 9.389 0.02 . 1 . . . A 237 GLU H . 18498 1 41 . 1 1 8 8 GLU HA H 1 4.540 0.02 . 1 . . . A 237 GLU HA . 18498 1 42 . 1 1 8 8 GLU HB2 H 1 1.898 0.02 . 2 . . . A 237 GLU HB2 . 18498 1 43 . 1 1 8 8 GLU HB3 H 1 1.819 0.02 . 2 . . . A 237 GLU HB3 . 18498 1 44 . 1 1 8 8 GLU HG2 H 1 2.158 0.02 . 2 . . . A 237 GLU HG2 . 18498 1 45 . 1 1 8 8 GLU HG3 H 1 2.057 0.02 . 2 . . . A 237 GLU HG3 . 18498 1 46 . 1 1 9 9 GLN H H 1 8.815 0.02 . 1 . . . A 238 GLN H . 18498 1 47 . 1 1 9 9 GLN HA H 1 4.354 0.02 . 1 . . . A 238 GLN HA . 18498 1 48 . 1 1 9 9 GLN HB2 H 1 1.741 0.02 . 2 . . . A 238 GLN HB2 . 18498 1 49 . 1 1 9 9 GLN HB3 H 1 1.726 0.02 . 2 . . . A 238 GLN HB3 . 18498 1 50 . 1 1 9 9 GLN HG2 H 1 1.935 0.02 . 2 . . . A 238 GLN HG2 . 18498 1 51 . 1 1 9 9 GLN HG3 H 1 1.776 0.02 . 2 . . . A 238 GLN HG3 . 18498 1 52 . 1 1 9 9 GLN HE21 H 1 7.143 0.02 . 2 . . . A 238 GLN HE21 . 18498 1 53 . 1 1 9 9 GLN HE22 H 1 6.897 0.02 . 2 . . . A 238 GLN HE22 . 18498 1 54 . 1 1 10 10 ALA H H 1 8.531 0.02 . 1 . . . A 239 ALA H . 18498 1 55 . 1 1 10 10 ALA HA H 1 4.223 0.02 . 1 . . . A 239 ALA HA . 18498 1 56 . 1 1 10 10 ALA HB1 H 1 0.288 0.02 . 1 . . . A 239 ALA HB1 . 18498 1 57 . 1 1 10 10 ALA HB2 H 1 0.288 0.02 . 1 . . . A 239 ALA HB2 . 18498 1 58 . 1 1 10 10 ALA HB3 H 1 0.288 0.02 . 1 . . . A 239 ALA HB3 . 18498 1 59 . 1 1 11 11 MET H H 1 7.854 0.02 . 1 . . . A 240 MET H . 18498 1 60 . 1 1 11 11 MET HA H 1 5.391 0.02 . 1 . . . A 240 MET HA . 18498 1 61 . 1 1 11 11 MET HB2 H 1 1.712 0.02 . 2 . . . A 240 MET HB2 . 18498 1 62 . 1 1 11 11 MET HB3 H 1 1.597 0.02 . 2 . . . A 240 MET HB3 . 18498 1 63 . 1 1 11 11 MET HG2 H 1 2.419 0.003 . 2 . . . A 240 MET HG2 . 18498 1 64 . 1 1 11 11 MET HG3 H 1 2.100 0.003 . 2 . . . A 240 MET HG3 . 18498 1 65 . 1 1 11 11 MET HE1 H 1 2.431 0.02 . 1 . . . A 240 MET HE1 . 18498 1 66 . 1 1 11 11 MET HE2 H 1 2.431 0.02 . 1 . . . A 240 MET HE2 . 18498 1 67 . 1 1 11 11 MET HE3 H 1 2.431 0.02 . 1 . . . A 240 MET HE3 . 18498 1 68 . 1 1 12 12 THR H H 1 9.495 0.02 . 1 . . . A 241 THR H . 18498 1 69 . 1 1 12 12 THR HA H 1 4.463 0.02 . 1 . . . A 241 THR HA . 18498 1 70 . 1 1 12 12 THR HB H 1 4.588 0.128 . 1 . . . A 241 THR HB . 18498 1 71 . 1 1 12 12 THR HG1 H 1 6.811 0.02 . 1 . . . A 241 THR HG1 . 18498 1 72 . 1 1 12 12 THR HG21 H 1 1.310 0.02 . 1 . . . A 241 THR HG21 . 18498 1 73 . 1 1 12 12 THR HG22 H 1 1.310 0.02 . 1 . . . A 241 THR HG22 . 18498 1 74 . 1 1 12 12 THR HG23 H 1 1.310 0.02 . 1 . . . A 241 THR HG23 . 18498 1 75 . 1 1 13 13 GLN H H 1 9.502 0.02 . 1 . . . A 242 GLN H . 18498 1 76 . 1 1 13 13 GLN HA H 1 3.975 0.02 . 1 . . . A 242 GLN HA . 18498 1 77 . 1 1 13 13 GLN HB2 H 1 2.027 0.02 . 2 . . . A 242 GLN HB2 . 18498 1 78 . 1 1 13 13 GLN HB3 H 1 1.917 0.02 . 2 . . . A 242 GLN HB3 . 18498 1 79 . 1 1 13 13 GLN HG2 H 1 2.428 0.02 . 2 . . . A 242 GLN HG2 . 18498 1 80 . 1 1 13 13 GLN HG3 H 1 2.088 0.02 . 2 . . . A 242 GLN HG3 . 18498 1 81 . 1 1 13 13 GLN HE21 H 1 7.455 0.02 . 2 . . . A 242 GLN HE21 . 18498 1 82 . 1 1 13 13 GLN HE22 H 1 6.789 0.02 . 2 . . . A 242 GLN HE22 . 18498 1 83 . 1 1 14 14 ASP H H 1 7.529 0.02 . 1 . . . A 243 ASP H . 18498 1 84 . 1 1 14 14 ASP HA H 1 4.628 0.02 . 1 . . . A 243 ASP HA . 18498 1 85 . 1 1 14 14 ASP HB2 H 1 2.673 0.02 . 2 . . . A 243 ASP HB2 . 18498 1 86 . 1 1 14 14 ASP HB3 H 1 2.328 0.02 . 2 . . . A 243 ASP HB3 . 18498 1 87 . 1 1 15 15 GLY H H 1 7.824 0.02 . 1 . . . A 244 GLY H . 18498 1 88 . 1 1 15 15 GLY HA2 H 1 3.614 0.02 . 2 . . . A 244 GLY HA2 . 18498 1 89 . 1 1 15 15 GLY HA3 H 1 3.979 0.02 . 2 . . . A 244 GLY HA3 . 18498 1 90 . 1 1 16 16 GLU H H 1 7.549 0.02 . 1 . . . A 245 GLU H . 18498 1 91 . 1 1 16 16 GLU HA H 1 4.325 0.002 . 1 . . . A 245 GLU HA . 18498 1 92 . 1 1 16 16 GLU HB2 H 1 1.914 0.02 . 2 . . . A 245 GLU HB2 . 18498 1 93 . 1 1 16 16 GLU HB3 H 1 1.725 0.02 . 2 . . . A 245 GLU HB3 . 18498 1 94 . 1 1 16 16 GLU HG2 H 1 2.034 0.02 . 2 . . . A 245 GLU HG2 . 18498 1 95 . 1 1 17 17 ILE H H 1 8.593 0.001 . 1 . . . A 246 ILE H . 18498 1 96 . 1 1 17 17 ILE HA H 1 4.465 0.02 . 1 . . . A 246 ILE HA . 18498 1 97 . 1 1 17 17 ILE HB H 1 1.583 0.02 . 1 . . . A 246 ILE HB . 18498 1 98 . 1 1 17 17 ILE HG12 H 1 1.245 0.304 . 2 . . . A 246 ILE HG12 . 18498 1 99 . 1 1 17 17 ILE HG13 H 1 0.954 0.001 . 2 . . . A 246 ILE HG13 . 18498 1 100 . 1 1 17 17 ILE HG21 H 1 0.501 0.02 . 1 . . . A 246 ILE HG21 . 18498 1 101 . 1 1 17 17 ILE HG22 H 1 0.501 0.02 . 1 . . . A 246 ILE HG22 . 18498 1 102 . 1 1 17 17 ILE HG23 H 1 0.501 0.02 . 1 . . . A 246 ILE HG23 . 18498 1 103 . 1 1 17 17 ILE HD11 H 1 0.655 0.02 . 1 . . . A 246 ILE HD11 . 18498 1 104 . 1 1 17 17 ILE HD12 H 1 0.655 0.02 . 1 . . . A 246 ILE HD12 . 18498 1 105 . 1 1 17 17 ILE HD13 H 1 0.655 0.02 . 1 . . . A 246 ILE HD13 . 18498 1 106 . 1 1 18 18 TYR H H 1 8.413 0.02 . 1 . . . A 247 TYR H . 18498 1 107 . 1 1 18 18 TYR HA H 1 4.682 0.02 . 1 . . . A 247 TYR HA . 18498 1 108 . 1 1 18 18 TYR HB2 H 1 2.245 0.02 . 2 . . . A 247 TYR HB2 . 18498 1 109 . 1 1 18 18 TYR HB3 H 1 1.942 0.02 . 2 . . . A 247 TYR HB3 . 18498 1 110 . 1 1 18 18 TYR HD1 H 1 6.592 0.02 . 3 . . . A 247 TYR HD1 . 18498 1 111 . 1 1 18 18 TYR HE1 H 1 6.058 0.02 . 3 . . . A 247 TYR HE1 . 18498 1 112 . 1 1 19 19 TYR H H 1 8.826 0.02 . 1 . . . A 248 TYR H . 18498 1 113 . 1 1 19 19 TYR HA H 1 4.998 0.02 . 1 . . . A 248 TYR HA . 18498 1 114 . 1 1 19 19 TYR HB2 H 1 2.979 0.02 . 2 . . . A 248 TYR HB2 . 18498 1 115 . 1 1 19 19 TYR HB3 H 1 2.667 0.02 . 2 . . . A 248 TYR HB3 . 18498 1 116 . 1 1 19 19 TYR HD2 H 1 6.591 0.02 . 3 . . . A 248 TYR HD2 . 18498 1 117 . 1 1 19 19 TYR HE2 H 1 6.507 0.001 . 3 . . . A 248 TYR HE2 . 18498 1 118 . 1 1 20 20 ILE H H 1 9.279 0.02 . 1 . . . A 249 ILE H . 18498 1 119 . 1 1 20 20 ILE HA H 1 4.144 0.02 . 1 . . . A 249 ILE HA . 18498 1 120 . 1 1 20 20 ILE HB H 1 0.501 0.004 . 1 . . . A 249 ILE HB . 18498 1 121 . 1 1 20 20 ILE HG12 H 1 1.190 0.02 . 2 . . . A 249 ILE HG12 . 18498 1 122 . 1 1 20 20 ILE HG13 H 1 0.972 0.02 . 2 . . . A 249 ILE HG13 . 18498 1 123 . 1 1 20 20 ILE HG21 H 1 0.325 0.002 . 1 . . . A 249 ILE HG21 . 18498 1 124 . 1 1 20 20 ILE HG22 H 1 0.325 0.002 . 1 . . . A 249 ILE HG22 . 18498 1 125 . 1 1 20 20 ILE HG23 H 1 0.325 0.002 . 1 . . . A 249 ILE HG23 . 18498 1 126 . 1 1 20 20 ILE HD11 H 1 0.134 0.02 . 1 . . . A 249 ILE HD11 . 18498 1 127 . 1 1 20 20 ILE HD12 H 1 0.134 0.02 . 1 . . . A 249 ILE HD12 . 18498 1 128 . 1 1 20 20 ILE HD13 H 1 0.134 0.02 . 1 . . . A 249 ILE HD13 . 18498 1 129 . 1 1 21 21 ASN H H 1 8.348 0.02 . 1 . . . A 250 ASN H . 18498 1 130 . 1 1 21 21 ASN HA H 1 3.802 0.02 . 1 . . . A 250 ASN HA . 18498 1 131 . 1 1 21 21 ASN HB2 H 1 2.235 0.005 . 2 . . . A 250 ASN HB2 . 18498 1 132 . 1 1 21 21 ASN HB3 H 1 -0.387 0.02 . 2 . . . A 250 ASN HB3 . 18498 1 133 . 1 1 21 21 ASN HD21 H 1 5.680 0.02 . 2 . . . A 250 ASN HD21 . 18498 1 134 . 1 1 21 21 ASN HD22 H 1 6.468 0.02 . 2 . . . A 250 ASN HD22 . 18498 1 135 . 1 1 22 22 HIS H H 1 8.580 0.02 . 1 . . . A 251 HIS H . 18498 1 136 . 1 1 22 22 HIS HA H 1 4.103 0.02 . 1 . . . A 251 HIS HA . 18498 1 137 . 1 1 22 22 HIS HB2 H 1 2.864 0.02 . 2 . . . A 251 HIS HB2 . 18498 1 138 . 1 1 22 22 HIS HD1 H 1 6.688 0.001 . 1 . . . A 251 HIS HD1 . 18498 1 139 . 1 1 22 22 HIS HE1 H 1 7.535 0.02 . 1 . . . A 251 HIS HE1 . 18498 1 140 . 1 1 23 23 LYS H H 1 7.959 0.02 . 1 . . . A 252 LYS H . 18498 1 141 . 1 1 23 23 LYS HA H 1 3.849 0.02 . 1 . . . A 252 LYS HA . 18498 1 142 . 1 1 23 23 LYS HB2 H 1 1.635 0.006 . 2 . . . A 252 LYS HB2 . 18498 1 143 . 1 1 23 23 LYS HB3 H 1 1.475 0.02 . 2 . . . A 252 LYS HB3 . 18498 1 144 . 1 1 23 23 LYS HG2 H 1 1.227 0.02 . 2 . . . A 252 LYS HG2 . 18498 1 145 . 1 1 23 23 LYS HG3 H 1 1.137 0.02 . 2 . . . A 252 LYS HG3 . 18498 1 146 . 1 1 23 23 LYS HD2 H 1 0.974 0.02 . 2 . . . A 252 LYS HD2 . 18498 1 147 . 1 1 23 23 LYS HD3 H 1 0.754 0.02 . 2 . . . A 252 LYS HD3 . 18498 1 148 . 1 1 23 23 LYS HE2 H 1 2.683 0.02 . 2 . . . A 252 LYS HE2 . 18498 1 149 . 1 1 24 24 ASN H H 1 6.530 0.02 . 1 . . . A 253 ASN H . 18498 1 150 . 1 1 24 24 ASN HA H 1 4.389 0.02 . 1 . . . A 253 ASN HA . 18498 1 151 . 1 1 24 24 ASN HB2 H 1 2.455 0.015 . 2 . . . A 253 ASN HB2 . 18498 1 152 . 1 1 24 24 ASN HB3 H 1 2.362 0.009 . 2 . . . A 253 ASN HB3 . 18498 1 153 . 1 1 24 24 ASN HD21 H 1 7.193 0.02 . 2 . . . A 253 ASN HD21 . 18498 1 154 . 1 1 24 24 ASN HD22 H 1 6.525 0.02 . 2 . . . A 253 ASN HD22 . 18498 1 155 . 1 1 25 25 LYS H H 1 7.069 0.02 . 1 . . . A 254 LYS H . 18498 1 156 . 1 1 25 25 LYS HA H 1 2.370 0.491 . 1 . . . A 254 LYS HA . 18498 1 157 . 1 1 25 25 LYS HB2 H 1 1.354 0.02 . 2 . . . A 254 LYS HB2 . 18498 1 158 . 1 1 25 25 LYS HB3 H 1 1.282 0.02 . 2 . . . A 254 LYS HB3 . 18498 1 159 . 1 1 25 25 LYS HG2 H 1 1.429 0.02 . 2 . . . A 254 LYS HG2 . 18498 1 160 . 1 1 25 25 LYS HG3 H 1 1.156 0.02 . 2 . . . A 254 LYS HG3 . 18498 1 161 . 1 1 25 25 LYS HD2 H 1 0.517 0.02 . 2 . . . A 254 LYS HD2 . 18498 1 162 . 1 1 25 25 LYS HE2 H 1 2.696 0.002 . 2 . . . A 254 LYS HE2 . 18498 1 163 . 1 1 26 26 THR H H 1 7.365 0.003 . 1 . . . A 255 THR H . 18498 1 164 . 1 1 26 26 THR HA H 1 4.607 0.02 . 1 . . . A 255 THR HA . 18498 1 165 . 1 1 26 26 THR HB H 1 3.969 0.02 . 1 . . . A 255 THR HB . 18498 1 166 . 1 1 26 26 THR HG21 H 1 0.775 0.02 . 1 . . . A 255 THR HG21 . 18498 1 167 . 1 1 26 26 THR HG22 H 1 0.775 0.02 . 1 . . . A 255 THR HG22 . 18498 1 168 . 1 1 26 26 THR HG23 H 1 0.775 0.02 . 1 . . . A 255 THR HG23 . 18498 1 169 . 1 1 27 27 THR H H 1 7.959 0.02 . 1 . . . A 256 THR H . 18498 1 170 . 1 1 27 27 THR HA H 1 5.255 0.02 . 1 . . . A 256 THR HA . 18498 1 171 . 1 1 27 27 THR HB H 1 3.971 0.02 . 1 . . . A 256 THR HB . 18498 1 172 . 1 1 27 27 THR HG1 H 1 4.850 0.003 . 1 . . . A 256 THR HG1 . 18498 1 173 . 1 1 27 27 THR HG21 H 1 0.979 0.02 . 1 . . . A 256 THR HG21 . 18498 1 174 . 1 1 27 27 THR HG22 H 1 0.979 0.02 . 1 . . . A 256 THR HG22 . 18498 1 175 . 1 1 27 27 THR HG23 H 1 0.979 0.02 . 1 . . . A 256 THR HG23 . 18498 1 176 . 1 1 28 28 SER H H 1 9.219 0.02 . 1 . . . A 257 SER H . 18498 1 177 . 1 1 28 28 SER HA H 1 4.517 0.02 . 1 . . . A 257 SER HA . 18498 1 178 . 1 1 28 28 SER HB2 H 1 3.941 0.005 . 2 . . . A 257 SER HB2 . 18498 1 179 . 1 1 28 28 SER HB3 H 1 3.535 0.001 . 2 . . . A 257 SER HB3 . 18498 1 180 . 1 1 29 29 TRP H H 1 9.082 0.02 . 1 . . . A 258 TRP H . 18498 1 181 . 1 1 29 29 TRP HA H 1 5.062 0.02 . 1 . . . A 258 TRP HA . 18498 1 182 . 1 1 29 29 TRP HB2 H 1 3.504 0.02 . 2 . . . A 258 TRP HB2 . 18498 1 183 . 1 1 29 29 TRP HB3 H 1 2.997 0.215 . 2 . . . A 258 TRP HB3 . 18498 1 184 . 1 1 29 29 TRP HD1 H 1 7.146 0.02 . 1 . . . A 258 TRP HD1 . 18498 1 185 . 1 1 29 29 TRP HE1 H 1 9.959 0.02 . 1 . . . A 258 TRP HE1 . 18498 1 186 . 1 1 29 29 TRP HE3 H 1 8.027 0.02 . 1 . . . A 258 TRP HE3 . 18498 1 187 . 1 1 29 29 TRP HZ2 H 1 6.967 0.02 . 1 . . . A 258 TRP HZ2 . 18498 1 188 . 1 1 29 29 TRP HZ3 H 1 6.652 0.02 . 1 . . . A 258 TRP HZ3 . 18498 1 189 . 1 1 29 29 TRP HH2 H 1 6.832 0.02 . 1 . . . A 258 TRP HH2 . 18498 1 190 . 1 1 30 30 LEU H H 1 8.397 0.02 . 1 . . . A 259 LEU H . 18498 1 191 . 1 1 30 30 LEU HA H 1 4.194 0.02 . 1 . . . A 259 LEU HA . 18498 1 192 . 1 1 30 30 LEU HB2 H 1 1.393 0.02 . 2 . . . A 259 LEU HB2 . 18498 1 193 . 1 1 30 30 LEU HB3 H 1 1.382 0.02 . 2 . . . A 259 LEU HB3 . 18498 1 194 . 1 1 30 30 LEU HG H 1 1.207 0.02 . 1 . . . A 259 LEU HG . 18498 1 195 . 1 1 30 30 LEU HD11 H 1 0.709 0.02 . 2 . . . A 259 LEU HD11 . 18498 1 196 . 1 1 30 30 LEU HD12 H 1 0.709 0.02 . 2 . . . A 259 LEU HD12 . 18498 1 197 . 1 1 30 30 LEU HD13 H 1 0.709 0.02 . 2 . . . A 259 LEU HD13 . 18498 1 198 . 1 1 30 30 LEU HD21 H 1 0.645 0.02 . 2 . . . A 259 LEU HD21 . 18498 1 199 . 1 1 30 30 LEU HD22 H 1 0.645 0.02 . 2 . . . A 259 LEU HD22 . 18498 1 200 . 1 1 30 30 LEU HD23 H 1 0.645 0.02 . 2 . . . A 259 LEU HD23 . 18498 1 201 . 1 1 31 31 ASP H H 1 7.989 0.02 . 1 . . . A 260 ASP H . 18498 1 202 . 1 1 31 31 ASP HA H 1 2.669 0.02 . 1 . . . A 260 ASP HA . 18498 1 203 . 1 1 31 31 ASP HB2 H 1 2.341 0.002 . 2 . . . A 260 ASP HB2 . 18498 1 204 . 1 1 31 31 ASP HB3 H 1 2.189 0.02 . 2 . . . A 260 ASP HB3 . 18498 1 205 . 1 1 32 32 PRO HA H 1 3.639 0.02 . 1 . . . A 261 PRO HA . 18498 1 206 . 1 1 32 32 PRO HB2 H 1 0.511 0.02 . 2 . . . A 261 PRO HB2 . 18498 1 207 . 1 1 32 32 PRO HB3 H 1 0.241 0.002 . 2 . . . A 261 PRO HB3 . 18498 1 208 . 1 1 32 32 PRO HG2 H 1 0.393 0.02 . 2 . . . A 261 PRO HG2 . 18498 1 209 . 1 1 32 32 PRO HG3 H 1 0.090 0.02 . 2 . . . A 261 PRO HG3 . 18498 1 210 . 1 1 32 32 PRO HD2 H 1 2.531 0.02 . 2 . . . A 261 PRO HD2 . 18498 1 211 . 1 1 32 32 PRO HD3 H 1 2.320 0.02 . 2 . . . A 261 PRO HD3 . 18498 1 212 . 1 1 33 33 ARG H H 1 8.147 0.02 . 1 . . . A 262 ARG H . 18498 1 213 . 1 1 33 33 ARG HA H 1 3.625 0.02 . 1 . . . A 262 ARG HA . 18498 1 214 . 1 1 33 33 ARG HB2 H 1 1.325 0.02 . 2 . . . A 262 ARG HB2 . 18498 1 215 . 1 1 33 33 ARG HB3 H 1 1.016 0.02 . 2 . . . A 262 ARG HB3 . 18498 1 216 . 1 1 33 33 ARG HG2 H 1 1.610 0.02 . 2 . . . A 262 ARG HG2 . 18498 1 217 . 1 1 33 33 ARG HG3 H 1 1.550 0.02 . 2 . . . A 262 ARG HG3 . 18498 1 218 . 1 1 33 33 ARG HD2 H 1 2.649 0.02 . 2 . . . A 262 ARG HD2 . 18498 1 219 . 1 1 33 33 ARG HD3 H 1 2.592 0.02 . 2 . . . A 262 ARG HD3 . 18498 1 220 . 1 1 33 33 ARG HE H 1 8.411 0.02 . 1 . . . A 262 ARG HE . 18498 1 221 . 1 1 34 34 LEU H H 1 7.075 0.02 . 1 . . . A 263 LEU H . 18498 1 222 . 1 1 34 34 LEU HA H 1 3.991 0.02 . 1 . . . A 263 LEU HA . 18498 1 223 . 1 1 34 34 LEU HB2 H 1 1.270 0.02 . 2 . . . A 263 LEU HB2 . 18498 1 224 . 1 1 34 34 LEU HB3 H 1 1.184 0.004 . 2 . . . A 263 LEU HB3 . 18498 1 225 . 1 1 34 34 LEU HG H 1 1.160 0.004 . 1 . . . A 263 LEU HG . 18498 1 226 . 1 1 34 34 LEU HD11 H 1 0.696 0.02 . 2 . . . A 263 LEU HD11 . 18498 1 227 . 1 1 34 34 LEU HD12 H 1 0.696 0.02 . 2 . . . A 263 LEU HD12 . 18498 1 228 . 1 1 34 34 LEU HD13 H 1 0.696 0.02 . 2 . . . A 263 LEU HD13 . 18498 1 229 . 1 1 34 34 LEU HD21 H 1 0.522 0.02 . 2 . . . A 263 LEU HD21 . 18498 1 230 . 1 1 34 34 LEU HD22 H 1 0.522 0.02 . 2 . . . A 263 LEU HD22 . 18498 1 231 . 1 1 34 34 LEU HD23 H 1 0.522 0.02 . 2 . . . A 263 LEU HD23 . 18498 1 232 . 1 1 35 35 ASP H H 1 7.543 0.02 . 1 . . . A 264 ASP H . 18498 1 233 . 1 1 35 35 ASP HA H 1 4.525 0.02 . 1 . . . A 264 ASP HA . 18498 1 234 . 1 1 35 35 ASP HB2 H 1 2.462 0.003 . 2 . . . A 264 ASP HB2 . 18498 1 235 . 1 1 35 35 ASP HB3 H 1 2.188 0.003 . 2 . . . A 264 ASP HB3 . 18498 1 236 . 1 1 36 36 PRO HA H 1 4.168 0.02 . 1 . . . A 265 PRO HA . 18498 1 237 . 1 1 36 36 PRO HB2 H 1 1.950 0.02 . 2 . . . A 265 PRO HB2 . 18498 1 238 . 1 1 36 36 PRO HG2 H 1 1.760 0.02 . 2 . . . A 265 PRO HG2 . 18498 1 239 . 1 1 36 36 PRO HD2 H 1 3.486 0.003 . 2 . . . A 265 PRO HD2 . 18498 1 240 . 2 2 1 1 GLY H H 1 8.132 0.02 . 1 . . . . 204 GLY HN . 18498 1 241 . 2 2 1 1 GLY HA2 H 1 4.077 0.02 . 2 . . . . 204 GLY HA . 18498 1 242 . 2 2 1 1 GLY HA3 H 1 4.077 0.02 . 2 . . . . 204 GLY HA . 18498 1 243 . 2 2 2 2 SER HA H 1 4.441 0.02 . 1 . . . B 206 SER HA . 18498 1 244 . 2 2 2 2 SER HB2 H 1 4.024 0.02 . 2 . . . B 206 SER HB2 . 18498 1 245 . 2 2 3 3 PRO HA H 1 4.466 0.02 . 1 . . . B 207 PRO HA . 18498 1 246 . 2 2 3 3 PRO HB2 H 1 2.090 0.02 . 2 . . . B 207 PRO HB2 . 18498 1 247 . 2 2 3 3 PRO HG2 H 1 1.800 0.02 . 2 . . . B 207 PRO HG2 . 18498 1 248 . 2 2 3 3 PRO HD2 H 1 3.576 0.02 . 2 . . . B 207 PRO HD2 . 18498 1 249 . 2 2 3 3 PRO HD3 H 1 3.371 0.005 . 2 . . . B 207 PRO HD3 . 18498 1 250 . 2 2 6 6 PRO HA H 1 4.268 0.02 . 1 . . . B 210 PRO HA . 18498 1 251 . 2 2 6 6 PRO HG2 H 1 1.031 0.02 . 2 . . . B 210 PRO HG2 . 18498 1 252 . 2 2 7 7 TYR H H 1 7.860 0.003 . 1 . . . B 211 TYR H . 18498 1 253 . 2 2 7 7 TYR HA H 1 4.131 0.02 . 1 . . . B 211 TYR HA . 18498 1 254 . 2 2 7 7 TYR HB2 H 1 2.803 0.001 . 2 . . . B 211 TYR HB2 . 18498 1 255 . 2 2 7 7 TYR HB3 H 1 2.771 0.02 . 2 . . . B 211 TYR HB3 . 18498 1 256 . 2 2 7 7 TYR HD1 H 1 6.870 0.004 . 3 . . . B 211 TYR HD1 . 18498 1 257 . 2 2 7 7 TYR HD2 H 1 6.870 0.004 . 3 . . . B 211 TYR HD2 . 18498 1 258 . 2 2 7 7 TYR HE1 H 1 6.429 0.003 . 3 . . . B 211 TYR HE1 . 18498 1 259 . 2 2 7 7 TYR HE2 H 1 6.429 0.003 . 3 . . . B 211 TYR HE2 . 18498 1 260 . 2 2 9 9 ARG H H 1 8.221 0.02 . 1 . . . B 213 ARG H . 18498 1 261 . 2 2 9 9 ARG HA H 1 4.082 0.02 . 1 . . . B 213 ARG HA . 18498 1 262 . 2 2 9 9 ARG HB2 H 1 1.509 0.073 . 2 . . . B 213 ARG HB2 . 18498 1 263 . 2 2 9 9 ARG HB3 H 1 1.353 0.02 . 2 . . . B 213 ARG HB3 . 18498 1 264 . 2 2 9 9 ARG HG2 H 1 1.449 0.02 . 2 . . . B 213 ARG HG2 . 18498 1 265 . 2 2 9 9 ARG HG3 H 1 1.333 0.02 . 2 . . . B 213 ARG HG3 . 18498 1 266 . 2 2 9 9 ARG HD2 H 1 2.942 0.005 . 2 . . . B 213 ARG HD2 . 18498 1 267 . 2 2 10 10 TYR H H 1 7.969 0.02 . 1 . . . B 214 TYR H . 18498 1 268 . 2 2 10 10 TYR HA H 1 4.594 0.002 . 1 . . . B 214 TYR HA . 18498 1 269 . 2 2 10 10 TYR HB2 H 1 2.896 0.02 . 2 . . . B 214 TYR HB2 . 18498 1 270 . 2 2 10 10 TYR HB3 H 1 2.578 0.02 . 2 . . . B 214 TYR HB3 . 18498 1 271 . 2 2 10 10 TYR HD1 H 1 6.944 0.003 . 3 . . . B 214 TYR HD1 . 18498 1 272 . 2 2 10 10 TYR HD2 H 1 6.944 0.003 . 3 . . . B 214 TYR HD2 . 18498 1 273 . 2 2 10 10 TYR HE1 H 1 6.594 0.02 . 3 . . . B 214 TYR HE1 . 18498 1 274 . 2 2 10 10 TYR HE2 H 1 6.594 0.02 . 3 . . . B 214 TYR HE2 . 18498 1 275 . 2 2 11 11 PRO HA H 1 4.116 0.02 . 1 . . . B 215 PRO HA . 18498 1 276 . 2 2 11 11 PRO HB2 H 1 1.995 0.02 . 2 . . . B 215 PRO HB2 . 18498 1 277 . 2 2 11 11 PRO HG2 H 1 1.633 0.02 . 2 . . . B 215 PRO HG2 . 18498 1 278 . 2 2 11 11 PRO HD2 H 1 3.551 0.02 . 2 . . . B 215 PRO HD2 . 18498 1 279 . 2 2 11 11 PRO HD3 H 1 3.373 0.013 . 2 . . . B 215 PRO HD3 . 18498 1 stop_ save_