################################### # 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 18347 _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-1H TOCSY' . . . 18347 1 2 '2D 1H-1H NOESY' . . . 18347 1 4 '2D 1H-1H TOCSY' . . . 18347 1 5 '2D 1H-1H NOESY' . . . 18347 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 3.736 0.000 . 2 . . . A 1 GLY HA2 . 18347 1 2 . 1 1 1 1 GLY HA3 H 1 3.701 0.000 . 2 . . . A 1 GLY HA3 . 18347 1 3 . 1 1 2 2 PHE H H 1 8.596 0.000 . 1 . . . A 2 PHE H . 18347 1 4 . 1 1 2 2 PHE HA H 1 3.950 0.000 . 1 . . . A 2 PHE HA . 18347 1 5 . 1 1 2 2 PHE HB2 H 1 2.727 0.000 . 2 . . . A 2 PHE HB2 . 18347 1 6 . 1 1 2 2 PHE HB3 H 1 3.086 0.000 . 2 . . . A 2 PHE HB3 . 18347 1 7 . 1 1 2 2 PHE HD1 H 1 6.920 0.000 . 1 . . . A 2 PHE HD1 . 18347 1 8 . 1 1 2 2 PHE HD2 H 1 6.920 0.000 . 1 . . . A 2 PHE HD2 . 18347 1 9 . 1 1 2 2 PHE HE1 H 1 7.137 0.000 . 1 . . . A 2 PHE HE1 . 18347 1 10 . 1 1 2 2 PHE HE2 H 1 7.137 0.000 . 1 . . . A 2 PHE HE2 . 18347 1 11 . 1 1 3 3 GLY H H 1 8.018 0.000 . 1 . . . A 3 GLY H . 18347 1 12 . 1 1 3 3 GLY HA2 H 1 3.479 0.000 . 2 . . . A 3 GLY HA2 . 18347 1 13 . 1 1 3 3 GLY HA3 H 1 4.567 0.000 . 2 . . . A 3 GLY HA3 . 18347 1 14 . 1 1 4 4 CYS H H 1 7.645 0.000 . 1 . . . A 4 CYS H . 18347 1 15 . 1 1 4 4 CYS HA H 1 4.343 0.000 . 1 . . . A 4 CYS HA . 18347 1 16 . 1 1 4 4 CYS HB2 H 1 2.604 0.000 . 2 . . . A 4 CYS HB2 . 18347 1 17 . 1 1 4 4 CYS HB3 H 1 3.928 0.000 . 2 . . . A 4 CYS HB3 . 18347 1 18 . 1 1 5 5 PRO HA H 1 4.704 0.000 . 1 . . . A 5 PRO HA . 18347 1 19 . 1 1 5 5 PRO HB2 H 1 2.338 0.000 . 2 . . . A 5 PRO HB2 . 18347 1 20 . 1 1 5 5 PRO HB3 H 1 1.631 0.000 . 2 . . . A 5 PRO HB3 . 18347 1 21 . 1 1 5 5 PRO HG2 H 1 0.785 0.000 . 1 . . . A 5 PRO HG2 . 18347 1 22 . 1 1 5 5 PRO HG3 H 1 0.785 0.000 . 1 . . . A 5 PRO HG3 . 18347 1 23 . 1 1 5 5 PRO HD2 H 1 3.206 0.000 . 2 . . . A 5 PRO HD2 . 18347 1 24 . 1 1 5 5 PRO HD3 H 1 3.340 0.000 . 2 . . . A 5 PRO HD3 . 18347 1 25 . 1 1 6 6 PHE H H 1 7.378 0.000 . 1 . . . A 6 PHE H . 18347 1 26 . 1 1 6 6 PHE HA H 1 4.656 0.000 . 1 . . . A 6 PHE HA . 18347 1 27 . 1 1 6 6 PHE HB2 H 1 3.078 0.000 . 2 . . . A 6 PHE HB2 . 18347 1 28 . 1 1 6 6 PHE HB3 H 1 3.406 0.000 . 2 . . . A 6 PHE HB3 . 18347 1 29 . 1 1 6 6 PHE HD1 H 1 7.315 0.000 . 1 . . . A 6 PHE HD1 . 18347 1 30 . 1 1 6 6 PHE HD2 H 1 7.315 0.000 . 1 . . . A 6 PHE HD2 . 18347 1 31 . 1 1 6 6 PHE HE1 H 1 7.421 0.000 . 1 . . . A 6 PHE HE1 . 18347 1 32 . 1 1 6 6 PHE HE2 H 1 7.421 0.000 . 1 . . . A 6 PHE HE2 . 18347 1 33 . 1 1 7 7 ASN H H 1 8.689 0.000 . 1 . . . A 7 ASN H . 18347 1 34 . 1 1 7 7 ASN HA H 1 5.074 0.000 . 1 . . . A 7 ASN HA . 18347 1 35 . 1 1 7 7 ASN HB2 H 1 2.679 0.000 . 2 . . . A 7 ASN HB2 . 18347 1 36 . 1 1 7 7 ASN HB3 H 1 3.177 0.000 . 2 . . . A 7 ASN HB3 . 18347 1 37 . 1 1 7 7 ASN HD21 H 1 7.049 0.000 . 2 . . . A 7 ASN HD21 . 18347 1 38 . 1 1 7 7 ASN HD22 H 1 7.693 0.000 . 2 . . . A 7 ASN HD22 . 18347 1 39 . 1 1 8 8 GLU H H 1 8.572 0.000 . 1 . . . A 8 GLU H . 18347 1 40 . 1 1 8 8 GLU HA H 1 3.937 0.000 . 1 . . . A 8 GLU HA . 18347 1 41 . 1 1 8 8 GLU HB2 H 1 2.144 0.000 . 2 . . . A 8 GLU HB2 . 18347 1 42 . 1 1 8 8 GLU HB3 H 1 2.174 0.000 . 2 . . . A 8 GLU HB3 . 18347 1 43 . 1 1 8 8 GLU HG2 H 1 2.590 0.000 . 1 . . . A 8 GLU HG2 . 18347 1 44 . 1 1 8 8 GLU HG3 H 1 2.590 0.000 . 1 . . . A 8 GLU HG3 . 18347 1 45 . 1 1 9 9 ASN H H 1 8.767 0.000 . 1 . . . A 9 ASN H . 18347 1 46 . 1 1 9 9 ASN HA H 1 4.490 0.000 . 1 . . . A 9 ASN HA . 18347 1 47 . 1 1 9 9 ASN HB2 H 1 2.900 0.000 . 2 . . . A 9 ASN HB2 . 18347 1 48 . 1 1 9 9 ASN HB3 H 1 3.027 0.000 . 2 . . . A 9 ASN HB3 . 18347 1 49 . 1 1 9 9 ASN HD21 H 1 7.111 0.000 . 2 . . . A 9 ASN HD21 . 18347 1 50 . 1 1 9 9 ASN HD22 H 1 7.771 0.000 . 2 . . . A 9 ASN HD22 . 18347 1 51 . 1 1 10 10 GLU H H 1 7.719 0.000 . 1 . . . A 10 GLU H . 18347 1 52 . 1 1 10 10 GLU HA H 1 4.171 0.000 . 1 . . . A 10 GLU HA . 18347 1 53 . 1 1 10 10 GLU HB2 H 1 2.159 0.000 . 1 . . . A 10 GLU HB2 . 18347 1 54 . 1 1 10 10 GLU HB3 H 1 2.159 0.000 . 1 . . . A 10 GLU HB3 . 18347 1 55 . 1 1 10 10 GLU HG2 H 1 2.310 0.000 . 2 . . . A 10 GLU HG2 . 18347 1 56 . 1 1 10 10 GLU HG3 H 1 2.548 0.000 . 2 . . . A 10 GLU HG3 . 18347 1 57 . 1 1 11 11 CYS H H 1 7.274 0.000 . 1 . . . A 11 CYS H . 18347 1 58 . 1 1 11 11 CYS HA H 1 4.876 0.000 . 1 . . . A 11 CYS HA . 18347 1 59 . 1 1 11 11 CYS HB2 H 1 2.687 0.000 . 2 . . . A 11 CYS HB2 . 18347 1 60 . 1 1 11 11 CYS HB3 H 1 3.638 0.000 . 2 . . . A 11 CYS HB3 . 18347 1 61 . 1 1 12 12 HIS H H 1 8.666 0.000 . 1 . . . A 12 HIS H . 18347 1 62 . 1 1 12 12 HIS HA H 1 3.991 0.000 . 1 . . . A 12 HIS HA . 18347 1 63 . 1 1 12 12 HIS HB2 H 1 3.462 0.000 . 1 . . . A 12 HIS HB2 . 18347 1 64 . 1 1 12 12 HIS HB3 H 1 3.462 0.000 . 1 . . . A 12 HIS HB3 . 18347 1 65 . 1 1 12 12 HIS HD2 H 1 7.352 0.000 . 1 . . . A 12 HIS HD2 . 18347 1 66 . 1 1 12 12 HIS HE1 H 1 8.789 0.000 . 1 . . . A 12 HIS HE1 . 18347 1 67 . 1 1 13 13 ALA H H 1 8.460 0.000 . 1 . . . A 13 ALA H . 18347 1 68 . 1 1 13 13 ALA HA H 1 3.995 0.000 . 1 . . . A 13 ALA HA . 18347 1 69 . 1 1 13 13 ALA HB1 H 1 1.561 0.000 . 1 . . . A 13 ALA HB1 . 18347 1 70 . 1 1 13 13 ALA HB2 H 1 1.561 0.000 . 1 . . . A 13 ALA HB2 . 18347 1 71 . 1 1 13 13 ALA HB3 H 1 1.561 0.000 . 1 . . . A 13 ALA HB3 . 18347 1 72 . 1 1 14 14 HIS H H 1 8.278 0.000 . 1 . . . A 14 HIS H . 18347 1 73 . 1 1 14 14 HIS HA H 1 4.306 0.000 . 1 . . . A 14 HIS HA . 18347 1 74 . 1 1 14 14 HIS HB2 H 1 3.121 0.000 . 2 . . . A 14 HIS HB2 . 18347 1 75 . 1 1 14 14 HIS HB3 H 1 3.517 0.000 . 2 . . . A 14 HIS HB3 . 18347 1 76 . 1 1 14 14 HIS HD2 H 1 6.504 0.000 . 1 . . . A 14 HIS HD2 . 18347 1 77 . 1 1 14 14 HIS HE1 H 1 8.371 0.000 . 1 . . . A 14 HIS HE1 . 18347 1 78 . 1 1 15 15 CYS H H 1 8.314 0.000 . 1 . . . A 15 CYS H . 18347 1 79 . 1 1 15 15 CYS HA H 1 3.936 0.000 . 1 . . . A 15 CYS HA . 18347 1 80 . 1 1 15 15 CYS HB2 H 1 2.525 0.000 . 1 . . . A 15 CYS HB2 . 18347 1 81 . 1 1 15 15 CYS HB3 H 1 2.525 0.000 . 1 . . . A 15 CYS HB3 . 18347 1 82 . 1 1 16 16 LEU H H 1 8.030 0.000 . 1 . . . A 16 LEU H . 18347 1 83 . 1 1 16 16 LEU HA H 1 4.179 0.000 . 1 . . . A 16 LEU HA . 18347 1 84 . 1 1 16 16 LEU HB2 H 1 1.470 0.000 . 2 . . . A 16 LEU HB2 . 18347 1 85 . 1 1 16 16 LEU HB3 H 1 1.599 0.000 . 2 . . . A 16 LEU HB3 . 18347 1 86 . 1 1 16 16 LEU HG H 1 1.450 0.000 . 1 . . . A 16 LEU HG . 18347 1 87 . 1 1 16 16 LEU HD11 H 1 0.765 0.000 . 2 . . . A 16 LEU HD11 . 18347 1 88 . 1 1 16 16 LEU HD12 H 1 0.765 0.000 . 2 . . . A 16 LEU HD12 . 18347 1 89 . 1 1 16 16 LEU HD13 H 1 0.765 0.000 . 2 . . . A 16 LEU HD13 . 18347 1 90 . 1 1 16 16 LEU HD21 H 1 0.641 0.000 . 2 . . . A 16 LEU HD21 . 18347 1 91 . 1 1 16 16 LEU HD22 H 1 0.641 0.000 . 2 . . . A 16 LEU HD22 . 18347 1 92 . 1 1 16 16 LEU HD23 H 1 0.641 0.000 . 2 . . . A 16 LEU HD23 . 18347 1 93 . 1 1 17 17 SER H H 1 7.951 0.000 . 1 . . . A 17 SER H . 18347 1 94 . 1 1 17 17 SER HA H 1 4.251 0.000 . 1 . . . A 17 SER HA . 18347 1 95 . 1 1 17 17 SER HB2 H 1 4.011 0.000 . 1 . . . A 17 SER HB2 . 18347 1 96 . 1 1 17 17 SER HB3 H 1 4.011 0.000 . 1 . . . A 17 SER HB3 . 18347 1 97 . 1 1 18 18 ILE H H 1 7.008 0.000 . 1 . . . A 18 ILE H . 18347 1 98 . 1 1 18 18 ILE HA H 1 4.608 0.000 . 1 . . . A 18 ILE HA . 18347 1 99 . 1 1 18 18 ILE HB H 1 2.152 0.000 . 1 . . . A 18 ILE HB . 18347 1 100 . 1 1 18 18 ILE HG12 H 1 0.964 0.000 . 2 . . . A 18 ILE HG12 . 18347 1 101 . 1 1 18 18 ILE HG13 H 1 1.140 0.000 . 2 . . . A 18 ILE HG13 . 18347 1 102 . 1 1 18 18 ILE HG21 H 1 0.654 0.000 . 1 . . . A 18 ILE HG21 . 18347 1 103 . 1 1 18 18 ILE HG22 H 1 0.654 0.000 . 1 . . . A 18 ILE HG22 . 18347 1 104 . 1 1 18 18 ILE HG23 H 1 0.654 0.000 . 1 . . . A 18 ILE HG23 . 18347 1 105 . 1 1 18 18 ILE HD11 H 1 0.669 0.000 . 1 . . . A 18 ILE HD11 . 18347 1 106 . 1 1 18 18 ILE HD12 H 1 0.669 0.000 . 1 . . . A 18 ILE HD12 . 18347 1 107 . 1 1 18 18 ILE HD13 H 1 0.669 0.000 . 1 . . . A 18 ILE HD13 . 18347 1 108 . 1 1 19 19 GLY H H 1 7.695 0.000 . 1 . . . A 19 GLY H . 18347 1 109 . 1 1 19 19 GLY HA2 H 1 3.772 0.000 . 2 . . . A 19 GLY HA2 . 18347 1 110 . 1 1 19 19 GLY HA3 H 1 4.148 0.000 . 2 . . . A 19 GLY HA3 . 18347 1 111 . 1 1 20 20 ARG H H 1 8.020 0.000 . 1 . . . A 20 ARG H . 18347 1 112 . 1 1 20 20 ARG HA H 1 4.638 0.000 . 1 . . . A 20 ARG HA . 18347 1 113 . 1 1 20 20 ARG HB2 H 1 1.937 0.000 . 1 . . . A 20 ARG HB2 . 18347 1 114 . 1 1 20 20 ARG HB3 H 1 1.937 0.000 . 1 . . . A 20 ARG HB3 . 18347 1 115 . 1 1 20 20 ARG HG2 H 1 1.486 0.000 . 2 . . . A 20 ARG HG2 . 18347 1 116 . 1 1 20 20 ARG HG3 H 1 1.510 0.000 . 2 . . . A 20 ARG HG3 . 18347 1 117 . 1 1 20 20 ARG HD2 H 1 3.041 0.000 . 1 . . . A 20 ARG HD2 . 18347 1 118 . 1 1 20 20 ARG HD3 H 1 3.041 0.000 . 1 . . . A 20 ARG HD3 . 18347 1 119 . 1 1 20 20 ARG HH11 H 1 7.183 0.000 . 1 . . . A 20 ARG HH11 . 18347 1 120 . 1 1 20 20 ARG HH12 H 1 7.183 0.000 . 1 . . . A 20 ARG HH12 . 18347 1 121 . 1 1 21 21 LYS H H 1 8.317 0.000 . 1 . . . A 21 LYS H . 18347 1 122 . 1 1 21 21 LYS HA H 1 4.024 0.000 . 1 . . . A 21 LYS HA . 18347 1 123 . 1 1 21 21 LYS HB2 H 1 1.506 0.000 . 1 . . . A 21 LYS HB2 . 18347 1 124 . 1 1 21 21 LYS HB3 H 1 1.506 0.000 . 1 . . . A 21 LYS HB3 . 18347 1 125 . 1 1 21 21 LYS HG2 H 1 1.167 0.000 . 2 . . . A 21 LYS HG2 . 18347 1 126 . 1 1 21 21 LYS HG3 H 1 1.291 0.000 . 2 . . . A 21 LYS HG3 . 18347 1 127 . 1 1 22 22 PHE H H 1 7.901 0.000 . 1 . . . A 22 PHE H . 18347 1 128 . 1 1 22 22 PHE HA H 1 4.619 0.000 . 1 . . . A 22 PHE HA . 18347 1 129 . 1 1 22 22 PHE HB2 H 1 3.162 0.000 . 2 . . . A 22 PHE HB2 . 18347 1 130 . 1 1 22 22 PHE HB3 H 1 2.927 0.000 . 2 . . . A 22 PHE HB3 . 18347 1 131 . 1 1 22 22 PHE HD1 H 1 7.178 0.000 . 1 . . . A 22 PHE HD1 . 18347 1 132 . 1 1 22 22 PHE HD2 H 1 7.178 0.000 . 1 . . . A 22 PHE HD2 . 18347 1 133 . 1 1 22 22 PHE HE1 H 1 7.342 0.000 . 1 . . . A 22 PHE HE1 . 18347 1 134 . 1 1 22 22 PHE HE2 H 1 7.342 0.000 . 1 . . . A 22 PHE HE2 . 18347 1 135 . 1 1 23 23 GLY H H 1 7.972 0.000 . 1 . . . A 23 GLY H . 18347 1 136 . 1 1 23 23 GLY HA2 H 1 3.887 0.000 . 2 . . . A 23 GLY HA2 . 18347 1 137 . 1 1 23 23 GLY HA3 H 1 4.917 0.000 . 2 . . . A 23 GLY HA3 . 18347 1 138 . 1 1 24 24 PHE H H 1 8.715 0.000 . 1 . . . A 24 PHE H . 18347 1 139 . 1 1 24 24 PHE HA H 1 5.012 0.000 . 1 . . . A 24 PHE HA . 18347 1 140 . 1 1 24 24 PHE HB2 H 1 3.080 0.000 . 2 . . . A 24 PHE HB2 . 18347 1 141 . 1 1 24 24 PHE HB3 H 1 3.272 0.000 . 2 . . . A 24 PHE HB3 . 18347 1 142 . 1 1 24 24 PHE HD1 H 1 7.142 0.000 . 1 . . . A 24 PHE HD1 . 18347 1 143 . 1 1 24 24 PHE HD2 H 1 7.142 0.000 . 1 . . . A 24 PHE HD2 . 18347 1 144 . 1 1 24 24 PHE HE1 H 1 7.223 0.000 . 1 . . . A 24 PHE HE1 . 18347 1 145 . 1 1 24 24 PHE HE2 H 1 7.223 0.000 . 1 . . . A 24 PHE HE2 . 18347 1 146 . 1 1 25 25 CYS H H 1 8.773 0.000 . 1 . . . A 25 CYS H . 18347 1 147 . 1 1 25 25 CYS HA H 1 5.196 0.000 . 1 . . . A 25 CYS HA . 18347 1 148 . 1 1 25 25 CYS HB2 H 1 2.798 0.000 . 1 . . . A 25 CYS HB2 . 18347 1 149 . 1 1 25 25 CYS HB3 H 1 2.798 0.000 . 1 . . . A 25 CYS HB3 . 18347 1 150 . 1 1 26 26 ALA H H 1 9.227 0.000 . 1 . . . A 26 ALA H . 18347 1 151 . 1 1 26 26 ALA HA H 1 4.706 0.000 . 1 . . . A 26 ALA HA . 18347 1 152 . 1 1 26 26 ALA HB1 H 1 1.499 0.000 . 1 . . . A 26 ALA HB1 . 18347 1 153 . 1 1 26 26 ALA HB2 H 1 1.499 0.000 . 1 . . . A 26 ALA HB2 . 18347 1 154 . 1 1 26 26 ALA HB3 H 1 1.499 0.000 . 1 . . . A 26 ALA HB3 . 18347 1 155 . 1 1 27 27 GLY H H 1 8.273 0.000 . 1 . . . A 27 GLY H . 18347 1 156 . 1 1 27 27 GLY HA2 H 1 3.935 0.000 . 1 . . . A 27 GLY HA2 . 18347 1 157 . 1 1 27 27 GLY HA3 H 1 3.935 0.000 . 1 . . . A 27 GLY HA3 . 18347 1 158 . 1 1 28 28 PRO HA H 1 4.340 0.000 . 1 . . . A 28 PRO HA . 18347 1 159 . 1 1 28 28 PRO HB2 H 1 2.329 0.000 . 2 . . . A 28 PRO HB2 . 18347 1 160 . 1 1 28 28 PRO HB3 H 1 2.131 0.000 . 2 . . . A 28 PRO HB3 . 18347 1 161 . 1 1 28 28 PRO HG2 H 1 1.890 0.000 . 2 . . . A 28 PRO HG2 . 18347 1 162 . 1 1 28 28 PRO HG3 H 1 2.040 0.000 . 2 . . . A 28 PRO HG3 . 18347 1 163 . 1 1 28 28 PRO HD2 H 1 3.655 0.000 . 2 . . . A 28 PRO HD2 . 18347 1 164 . 1 1 28 28 PRO HD3 H 1 3.704 0.000 . 2 . . . A 28 PRO HD3 . 18347 1 165 . 1 1 29 29 LEU H H 1 9.231 0.000 . 1 . . . A 29 LEU H . 18347 1 166 . 1 1 29 29 LEU HA H 1 3.904 0.000 . 1 . . . A 29 LEU HA . 18347 1 167 . 1 1 29 29 LEU HB2 H 1 1.501 0.000 . 2 . . . A 29 LEU HB2 . 18347 1 168 . 1 1 29 29 LEU HB3 H 1 1.663 0.000 . 2 . . . A 29 LEU HB3 . 18347 1 169 . 1 1 29 29 LEU HG H 1 1.910 0.000 . 1 . . . A 29 LEU HG . 18347 1 170 . 1 1 29 29 LEU HD11 H 1 0.880 0.000 . 1 . . . A 29 LEU HD11 . 18347 1 171 . 1 1 29 29 LEU HD12 H 1 0.880 0.000 . 1 . . . A 29 LEU HD12 . 18347 1 172 . 1 1 29 29 LEU HD13 H 1 0.880 0.000 . 1 . . . A 29 LEU HD13 . 18347 1 173 . 1 1 30 30 ARG HB2 H 1 1.824 0.000 . 1 . . . A 30 ARG HB2 . 18347 1 174 . 1 1 30 30 ARG HB3 H 1 1.824 0.000 . 1 . . . A 30 ARG HB3 . 18347 1 175 . 1 1 30 30 ARG HG2 H 1 1.482 0.000 . 2 . . . A 30 ARG HG2 . 18347 1 176 . 1 1 30 30 ARG HG3 H 1 1.611 0.000 . 2 . . . A 30 ARG HG3 . 18347 1 177 . 1 1 30 30 ARG HD2 H 1 3.229 0.000 . 1 . . . A 30 ARG HD2 . 18347 1 178 . 1 1 30 30 ARG HD3 H 1 3.229 0.000 . 1 . . . A 30 ARG HD3 . 18347 1 179 . 1 1 30 30 ARG HH11 H 1 7.089 0.000 . 1 . . . A 30 ARG HH11 . 18347 1 180 . 1 1 30 30 ARG HH12 H 1 7.089 0.000 . 1 . . . A 30 ARG HH12 . 18347 1 181 . 1 1 31 31 ALA HA H 1 3.690 0.000 . 1 . . . A 31 ALA HA . 18347 1 182 . 1 1 31 31 ALA HB1 H 1 1.322 0.000 . 1 . . . A 31 ALA HB1 . 18347 1 183 . 1 1 31 31 ALA HB2 H 1 1.322 0.000 . 1 . . . A 31 ALA HB2 . 18347 1 184 . 1 1 31 31 ALA HB3 H 1 1.322 0.000 . 1 . . . A 31 ALA HB3 . 18347 1 185 . 1 1 32 32 THR HA H 1 4.306 0.000 . 1 . . . A 32 THR HA . 18347 1 186 . 1 1 32 32 THR HB H 1 3.853 0.000 . 1 . . . A 32 THR HB . 18347 1 187 . 1 1 32 32 THR HG21 H 1 1.028 0.000 . 1 . . . A 32 THR HG21 . 18347 1 188 . 1 1 32 32 THR HG22 H 1 1.028 0.000 . 1 . . . A 32 THR HG22 . 18347 1 189 . 1 1 32 32 THR HG23 H 1 1.028 0.000 . 1 . . . A 32 THR HG23 . 18347 1 190 . 1 1 33 33 CYS H H 1 9.122 0.000 . 1 . . . A 33 CYS H . 18347 1 191 . 1 1 33 33 CYS HA H 1 4.951 0.000 . 1 . . . A 33 CYS HA . 18347 1 192 . 1 1 33 33 CYS HB2 H 1 3.277 0.000 . 2 . . . A 33 CYS HB2 . 18347 1 193 . 1 1 33 33 CYS HB3 H 1 2.689 0.000 . 2 . . . A 33 CYS HB3 . 18347 1 194 . 1 1 34 34 THR H H 1 9.245 0.000 . 1 . . . A 34 THR H . 18347 1 195 . 1 1 34 34 THR HA H 1 4.317 0.000 . 1 . . . A 34 THR HA . 18347 1 196 . 1 1 34 34 THR HB H 1 3.413 0.000 . 1 . . . A 34 THR HB . 18347 1 197 . 1 1 34 34 THR HG21 H 1 1.014 0.000 . 1 . . . A 34 THR HG21 . 18347 1 198 . 1 1 34 34 THR HG22 H 1 1.014 0.000 . 1 . . . A 34 THR HG22 . 18347 1 199 . 1 1 34 34 THR HG23 H 1 1.014 0.000 . 1 . . . A 34 THR HG23 . 18347 1 200 . 1 1 35 35 CYS H H 1 8.797 0.000 . 1 . . . A 35 CYS H . 18347 1 201 . 1 1 35 35 CYS HA H 1 5.383 0.000 . 1 . . . A 35 CYS HA . 18347 1 202 . 1 1 35 35 CYS HB2 H 1 3.025 0.000 . 2 . . . A 35 CYS HB2 . 18347 1 203 . 1 1 35 35 CYS HB3 H 1 2.716 0.000 . 2 . . . A 35 CYS HB3 . 18347 1 204 . 1 1 36 36 GLY H H 1 8.169 0.000 . 1 . . . A 36 GLY H . 18347 1 205 . 1 1 36 36 GLY HA2 H 1 3.921 0.000 . 2 . . . A 36 GLY HA2 . 18347 1 206 . 1 1 36 36 GLY HA3 H 1 4.074 0.000 . 2 . . . A 36 GLY HA3 . 18347 1 207 . 1 1 37 37 LYS H H 1 8.396 0.000 . 1 . . . A 37 LYS H . 18347 1 208 . 1 1 37 37 LYS HA H 1 4.276 0.000 . 1 . . . A 37 LYS HA . 18347 1 209 . 1 1 37 37 LYS HB2 H 1 1.705 0.000 . 2 . . . A 37 LYS HB2 . 18347 1 210 . 1 1 37 37 LYS HB3 H 1 1.807 0.000 . 2 . . . A 37 LYS HB3 . 18347 1 211 . 1 1 37 37 LYS HG2 H 1 1.390 0.000 . 1 . . . A 37 LYS HG2 . 18347 1 212 . 1 1 37 37 LYS HG3 H 1 1.390 0.000 . 1 . . . A 37 LYS HG3 . 18347 1 213 . 1 1 37 37 LYS HD2 H 1 1.610 0.000 . 1 . . . A 37 LYS HD2 . 18347 1 214 . 1 1 37 37 LYS HD3 H 1 1.610 0.000 . 1 . . . A 37 LYS HD3 . 18347 1 215 . 1 1 37 37 LYS HE2 H 1 2.929 0.000 . 1 . . . A 37 LYS HE2 . 18347 1 216 . 1 1 37 37 LYS HE3 H 1 2.929 0.000 . 1 . . . A 37 LYS HE3 . 18347 1 217 . 1 1 38 38 GLN H H 1 8.175 0.000 . 1 . . . A 38 GLN H . 18347 1 218 . 1 1 38 38 GLN HA H 1 4.071 0.000 . 1 . . . A 38 GLN HA . 18347 1 219 . 1 1 38 38 GLN HB2 H 1 1.823 0.000 . 2 . . . A 38 GLN HB2 . 18347 1 220 . 1 1 38 38 GLN HB3 H 1 1.965 0.000 . 2 . . . A 38 GLN HB3 . 18347 1 221 . 1 1 38 38 GLN HG2 H 1 2.197 0.000 . 1 . . . A 38 GLN HG2 . 18347 1 stop_ save_