################################### # 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 18926 _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 0.01 _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' . . . 18926 1 2 '2D 1H-1H NOESY' . . . 18926 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 3.977 0.010 . 1 . . . A 1 GLY HA2 . 18926 1 2 . 1 1 1 1 GLY HA3 H 1 3.977 0.010 . 1 . . . A 1 GLY HA3 . 18926 1 3 . 1 1 2 2 CYS H H 1 8.622 0.010 . 1 . . . A 2 CYS H . 18926 1 4 . 1 1 2 2 CYS HA H 1 4.725 0.010 . 1 . . . A 2 CYS HA . 18926 1 5 . 1 1 2 2 CYS HB2 H 1 2.888 0.010 . 1 . . . A 2 CYS HB2 . 18926 1 6 . 1 1 2 2 CYS HB3 H 1 3.328 0.010 . 1 . . . A 2 CYS HB3 . 18926 1 7 . 1 1 3 3 ALA H H 1 8.124 0.010 . 1 . . . A 3 ALA H . 18926 1 8 . 1 1 3 3 ALA HA H 1 3.964 0.010 . 1 . . . A 3 ALA HA . 18926 1 9 . 1 1 3 3 ALA HB1 H 1 1.460 0.010 . 1 . . . A 3 ALA HB1 . 18926 1 10 . 1 1 3 3 ALA HB2 H 1 1.460 0.010 . 1 . . . A 3 ALA HB2 . 18926 1 11 . 1 1 3 3 ALA HB3 H 1 1.460 0.010 . 1 . . . A 3 ALA HB3 . 18926 1 12 . 1 1 4 4 GLY H H 1 9.234 0.010 . 1 . . . A 4 GLY H . 18926 1 13 . 1 1 4 4 GLY HA2 H 1 3.501 0.010 . 1 . . . A 4 GLY HA2 . 18926 1 14 . 1 1 4 4 GLY HA3 H 1 4.412 0.010 . 1 . . . A 4 GLY HA3 . 18926 1 15 . 1 1 5 5 LYS H H 1 6.842 0.010 . 1 . . . A 5 LYS H . 18926 1 16 . 1 1 5 5 LYS HA H 1 4.408 0.010 . 1 . . . A 5 LYS HA . 18926 1 17 . 1 1 5 5 LYS HB2 H 1 1.767 0.010 . 1 . . . A 5 LYS HB2 . 18926 1 18 . 1 1 5 5 LYS HB3 H 1 1.755 0.010 . 1 . . . A 5 LYS HB3 . 18926 1 19 . 1 1 5 5 LYS HG2 H 1 1.644 0.010 . 1 . . . A 5 LYS HG2 . 18926 1 20 . 1 1 5 5 LYS HG3 H 1 1.944 0.010 . 1 . . . A 5 LYS HG3 . 18926 1 21 . 1 1 5 5 LYS HE2 H 1 3.168 0.010 . 1 . . . A 5 LYS HE2 . 18926 1 22 . 1 1 5 5 LYS HE3 H 1 3.168 0.010 . 1 . . . A 5 LYS HE3 . 18926 1 23 . 1 1 6 6 SER H H 1 8.575 0.010 . 1 . . . A 6 SER H . 18926 1 24 . 1 1 6 6 SER HA H 1 4.785 0.010 . 1 . . . A 6 SER HA . 18926 1 25 . 1 1 6 6 SER HB2 H 1 4.084 0.010 . 1 . . . A 6 SER HB2 . 18926 1 26 . 1 1 6 6 SER HB3 H 1 4.084 0.010 . 1 . . . A 6 SER HB3 . 18926 1 27 . 1 1 7 7 CYS H H 1 8.023 0.010 . 1 . . . A 7 CYS H . 18926 1 28 . 1 1 7 7 CYS HA H 1 5.094 0.010 . 1 . . . A 7 CYS HA . 18926 1 29 . 1 1 7 7 CYS HB2 H 1 3.168 0.010 . 1 . . . A 7 CYS HB2 . 18926 1 30 . 1 1 7 7 CYS HB3 H 1 3.312 0.010 . 1 . . . A 7 CYS HB3 . 18926 1 31 . 1 1 8 8 ASN H H 1 8.496 0.010 . 1 . . . A 8 ASN H . 18926 1 32 . 1 1 8 8 ASN HA H 1 5.068 0.010 . 1 . . . A 8 ASN HA . 18926 1 33 . 1 1 8 8 ASN HB2 H 1 3.020 0.010 . 1 . . . A 8 ASN HB2 . 18926 1 34 . 1 1 8 8 ASN HB3 H 1 3.080 0.010 . 1 . . . A 8 ASN HB3 . 18926 1 35 . 1 1 8 8 ASN HD21 H 1 7.665 0.010 . 1 . . . A 8 ASN HD21 . 18926 1 36 . 1 1 8 8 ASN HD22 H 1 7.109 0.010 . 1 . . . A 8 ASN HD22 . 18926 1 37 . 1 1 9 9 ILE H H 1 8.298 0.010 . 1 . . . A 9 ILE H . 18926 1 38 . 1 1 9 9 ILE HA H 1 4.485 0.010 . 1 . . . A 9 ILE HA . 18926 1 39 . 1 1 9 9 ILE HB H 1 2.322 0.010 . 1 . . . A 9 ILE HB . 18926 1 40 . 1 1 10 10 LEU H H 1 8.291 0.010 . 1 . . . A 10 LEU H . 18926 1 41 . 1 1 10 10 LEU HA H 1 4.461 0.010 . 1 . . . A 10 LEU HA . 18926 1 42 . 1 1 10 10 LEU HB2 H 1 1.771 0.010 . 1 . . . A 10 LEU HB2 . 18926 1 43 . 1 1 10 10 LEU HB3 H 1 1.771 0.010 . 1 . . . A 10 LEU HB3 . 18926 1 44 . 1 1 10 10 LEU HG H 1 1.688 0.010 . 1 . . . A 10 LEU HG . 18926 1 45 . 1 1 10 10 LEU HD11 H 1 1.040 0.010 . 1 . . . A 10 LEU HD11 . 18926 1 46 . 1 1 10 10 LEU HD12 H 1 1.040 0.010 . 1 . . . A 10 LEU HD12 . 18926 1 47 . 1 1 10 10 LEU HD13 H 1 1.040 0.010 . 1 . . . A 10 LEU HD13 . 18926 1 48 . 1 1 10 10 LEU HD21 H 1 0.947 0.010 . 1 . . . A 10 LEU HD21 . 18926 1 49 . 1 1 10 10 LEU HD22 H 1 0.947 0.010 . 1 . . . A 10 LEU HD22 . 18926 1 50 . 1 1 10 10 LEU HD23 H 1 0.947 0.010 . 1 . . . A 10 LEU HD23 . 18926 1 51 . 1 1 11 11 GLY H H 1 7.943 0.010 . 1 . . . A 11 GLY H . 18926 1 52 . 1 1 11 11 GLY HA2 H 1 3.852 0.010 . 1 . . . A 11 GLY HA2 . 18926 1 53 . 1 1 11 11 GLY HA3 H 1 4.414 0.010 . 1 . . . A 11 GLY HA3 . 18926 1 54 . 1 1 12 12 SER H H 1 7.679 0.010 . 1 . . . A 12 SER H . 18926 1 55 . 1 1 12 12 SER HA H 1 4.602 0.010 . 1 . . . A 12 SER HA . 18926 1 56 . 1 1 12 12 SER HB2 H 1 3.878 0.010 . 1 . . . A 12 SER HB2 . 18926 1 57 . 1 1 12 12 SER HB3 H 1 4.170 0.010 . 1 . . . A 12 SER HB3 . 18926 1 58 . 1 1 13 13 ASP H H 1 8.288 0.010 . 1 . . . A 13 ASP H . 18926 1 59 . 1 1 13 13 ASP HA H 1 5.099 0.010 . 1 . . . A 13 ASP HA . 18926 1 60 . 1 1 13 13 ASP HB2 H 1 2.700 0.010 . 2 . . . A 13 ASP HB2 . 18926 1 61 . 1 1 13 13 ASP HB3 H 1 2.882 0.010 . 2 . . . A 13 ASP HB3 . 18926 1 62 . 1 1 14 14 PRO HA H 1 4.748 0.010 . 1 . . . A 14 PRO HA . 18926 1 63 . 1 1 14 14 PRO HB2 H 1 2.418 0.010 . 1 . . . A 14 PRO HB2 . 18926 1 64 . 1 1 14 14 PRO HB3 H 1 2.179 0.010 . 1 . . . A 14 PRO HB3 . 18926 1 65 . 1 1 14 14 PRO HG2 H 1 1.989 0.010 . 1 . . . A 14 PRO HG2 . 18926 1 66 . 1 1 14 14 PRO HG3 H 1 2.088 0.010 . 1 . . . A 14 PRO HG3 . 18926 1 67 . 1 1 14 14 PRO HD2 H 1 3.517 0.010 . 1 . . . A 14 PRO HD2 . 18926 1 68 . 1 1 14 14 PRO HD3 H 1 3.748 0.010 . 1 . . . A 14 PRO HD3 . 18926 1 69 . 1 1 15 15 CYS H H 1 8.626 0.010 . 1 . . . A 15 CYS H . 18926 1 70 . 1 1 15 15 CYS HA H 1 4.727 0.010 . 1 . . . A 15 CYS HA . 18926 1 71 . 1 1 15 15 CYS HB2 H 1 2.608 0.010 . 1 . . . A 15 CYS HB2 . 18926 1 72 . 1 1 15 15 CYS HB3 H 1 2.980 0.010 . 1 . . . A 15 CYS HB3 . 18926 1 73 . 1 1 16 16 ASP H H 1 8.782 0.010 . 1 . . . A 16 ASP H . 18926 1 74 . 1 1 16 16 ASP HA H 1 4.725 0.010 . 1 . . . A 16 ASP HA . 18926 1 75 . 1 1 16 16 ASP HB2 H 1 2.721 0.010 . 2 . . . A 16 ASP HB2 . 18926 1 76 . 1 1 16 16 ASP HB3 H 1 3.113 0.010 . 2 . . . A 16 ASP HB3 . 18926 1 77 . 1 1 17 17 ALA H H 1 8.142 0.010 . 1 . . . A 17 ALA H . 18926 1 78 . 1 1 17 17 ALA HA H 1 4.209 0.010 . 1 . . . A 17 ALA HA . 18926 1 79 . 1 1 17 17 ALA HB1 H 1 1.463 0.010 . 1 . . . A 17 ALA HB1 . 18926 1 80 . 1 1 17 17 ALA HB2 H 1 1.463 0.010 . 1 . . . A 17 ALA HB2 . 18926 1 81 . 1 1 17 17 ALA HB3 H 1 1.463 0.010 . 1 . . . A 17 ALA HB3 . 18926 1 82 . 1 1 18 18 GLY H H 1 8.691 0.010 . 1 . . . A 18 GLY H . 18926 1 83 . 1 1 18 18 GLY HA2 H 1 3.715 0.010 . 1 . . . A 18 GLY HA2 . 18926 1 84 . 1 1 18 18 GLY HA3 H 1 4.486 0.010 . 1 . . . A 18 GLY HA3 . 18926 1 85 . 1 1 19 19 CYS H H 1 8.027 0.010 . 1 . . . A 19 CYS H . 18926 1 86 . 1 1 19 19 CYS HA H 1 5.527 0.010 . 1 . . . A 19 CYS HA . 18926 1 87 . 1 1 19 19 CYS HB2 H 1 2.772 0.010 . 1 . . . A 19 CYS HB2 . 18926 1 88 . 1 1 19 19 CYS HB3 H 1 3.133 0.010 . 1 . . . A 19 CYS HB3 . 18926 1 89 . 1 1 20 20 PHE H H 1 8.387 0.010 . 1 . . . A 20 PHE H . 18926 1 90 . 1 1 20 20 PHE HA H 1 4.987 0.010 . 1 . . . A 20 PHE HA . 18926 1 91 . 1 1 20 20 PHE HB2 H 1 3.052 0.010 . 1 . . . A 20 PHE HB2 . 18926 1 92 . 1 1 20 20 PHE HB3 H 1 3.160 0.010 . 1 . . . A 20 PHE HB3 . 18926 1 93 . 1 1 20 20 PHE HD1 H 1 7.189 0.010 . 1 . . . A 20 PHE HD1 . 18926 1 94 . 1 1 20 20 PHE HD2 H 1 7.336 0.010 . 1 . . . A 20 PHE HD2 . 18926 1 95 . 1 1 21 21 CYS H H 1 8.895 0.010 . 1 . . . A 21 CYS H . 18926 1 96 . 1 1 21 21 CYS HA H 1 4.612 0.010 . 1 . . . A 21 CYS HA . 18926 1 97 . 1 1 21 21 CYS HB2 H 1 2.970 0.010 . 1 . . . A 21 CYS HB2 . 18926 1 98 . 1 1 21 21 CYS HB3 H 1 2.970 0.010 . 1 . . . A 21 CYS HB3 . 18926 1 99 . 1 1 22 22 LEU H H 1 9.023 0.010 . 1 . . . A 22 LEU H . 18926 1 100 . 1 1 22 22 LEU HA H 1 4.953 0.010 . 1 . . . A 22 LEU HA . 18926 1 101 . 1 1 22 22 LEU HB2 H 1 1.412 0.010 . 1 . . . A 22 LEU HB2 . 18926 1 102 . 1 1 22 22 LEU HB3 H 1 2.241 0.010 . 1 . . . A 22 LEU HB3 . 18926 1 103 . 1 1 22 22 LEU HG H 1 1.166 0.010 . 1 . . . A 22 LEU HG . 18926 1 104 . 1 1 22 22 LEU HD11 H 1 1.660 0.010 . 1 . . . A 22 LEU HD11 . 18926 1 105 . 1 1 22 22 LEU HD12 H 1 1.660 0.010 . 1 . . . A 22 LEU HD12 . 18926 1 106 . 1 1 22 22 LEU HD13 H 1 1.660 0.010 . 1 . . . A 22 LEU HD13 . 18926 1 107 . 1 1 22 22 LEU HD21 H 1 0.941 0.010 . 1 . . . A 22 LEU HD21 . 18926 1 108 . 1 1 22 22 LEU HD22 H 1 0.941 0.010 . 1 . . . A 22 LEU HD22 . 18926 1 109 . 1 1 22 22 LEU HD23 H 1 0.941 0.010 . 1 . . . A 22 LEU HD23 . 18926 1 110 . 1 1 23 23 PRO HA H 1 4.597 0.010 . 1 . . . A 23 PRO HA . 18926 1 111 . 1 1 23 23 PRO HB2 H 1 2.293 0.010 . 1 . . . A 23 PRO HB2 . 18926 1 112 . 1 1 23 23 PRO HB3 H 1 2.293 0.010 . 1 . . . A 23 PRO HB3 . 18926 1 113 . 1 1 23 23 PRO HG2 H 1 2.038 0.010 . 1 . . . A 23 PRO HG2 . 18926 1 114 . 1 1 23 23 PRO HG3 H 1 2.187 0.010 . 1 . . . A 23 PRO HG3 . 18926 1 115 . 1 1 23 23 PRO HD2 H 1 3.860 0.010 . 1 . . . A 23 PRO HD2 . 18926 1 116 . 1 1 23 23 PRO HD3 H 1 3.860 0.010 . 1 . . . A 23 PRO HD3 . 18926 1 117 . 1 1 24 24 VAL H H 1 8.829 0.010 . 1 . . . A 24 VAL H . 18926 1 118 . 1 1 24 24 VAL HA H 1 4.439 0.010 . 1 . . . A 24 VAL HA . 18926 1 119 . 1 1 24 24 VAL HB H 1 2.262 0.010 . 1 . . . A 24 VAL HB . 18926 1 120 . 1 1 24 24 VAL HG11 H 1 1.022 0.010 . 1 . . . A 24 VAL HG11 . 18926 1 121 . 1 1 24 24 VAL HG12 H 1 1.022 0.010 . 1 . . . A 24 VAL HG12 . 18926 1 122 . 1 1 24 24 VAL HG13 H 1 1.022 0.010 . 1 . . . A 24 VAL HG13 . 18926 1 123 . 1 1 24 24 VAL HG21 H 1 0.921 0.010 . 1 . . . A 24 VAL HG21 . 18926 1 124 . 1 1 24 24 VAL HG22 H 1 0.921 0.010 . 1 . . . A 24 VAL HG22 . 18926 1 125 . 1 1 24 24 VAL HG23 H 1 0.921 0.010 . 1 . . . A 24 VAL HG23 . 18926 1 126 . 1 1 25 25 GLY H H 1 8.070 0.010 . 1 . . . A 25 GLY H . 18926 1 127 . 1 1 25 25 GLY HA2 H 1 4.056 0.010 . 1 . . . A 25 GLY HA2 . 18926 1 128 . 1 1 25 25 GLY HA3 H 1 4.278 0.010 . 1 . . . A 25 GLY HA3 . 18926 1 129 . 1 1 26 26 ILE H H 1 8.317 0.010 . 1 . . . A 26 ILE H . 18926 1 130 . 1 1 26 26 ILE HA H 1 4.070 0.010 . 1 . . . A 26 ILE HA . 18926 1 131 . 1 1 26 26 ILE HB H 1 2.128 0.010 . 1 . . . A 26 ILE HB . 18926 1 132 . 1 1 26 26 ILE HG12 H 1 1.376 0.010 . 1 . . . A 26 ILE HG12 . 18926 1 133 . 1 1 26 26 ILE HG13 H 1 1.678 0.010 . 1 . . . A 26 ILE HG13 . 18926 1 134 . 1 1 26 26 ILE HG21 H 1 1.111 0.010 . 1 . . . A 26 ILE HG21 . 18926 1 135 . 1 1 26 26 ILE HG22 H 1 1.111 0.010 . 1 . . . A 26 ILE HG22 . 18926 1 136 . 1 1 26 26 ILE HG23 H 1 1.111 0.010 . 1 . . . A 26 ILE HG23 . 18926 1 137 . 1 1 26 26 ILE HD11 H 1 1.038 0.010 . 1 . . . A 26 ILE HD11 . 18926 1 138 . 1 1 26 26 ILE HD12 H 1 1.038 0.010 . 1 . . . A 26 ILE HD12 . 18926 1 139 . 1 1 26 26 ILE HD13 H 1 1.038 0.010 . 1 . . . A 26 ILE HD13 . 18926 1 140 . 1 1 27 27 VAL H H 1 8.045 0.010 . 1 . . . A 27 VAL H . 18926 1 141 . 1 1 27 27 VAL HA H 1 4.531 0.010 . 1 . . . A 27 VAL HA . 18926 1 142 . 1 1 27 27 VAL HB H 1 2.328 0.010 . 1 . . . A 27 VAL HB . 18926 1 143 . 1 1 27 27 VAL HG11 H 1 1.024 0.010 . 1 . . . A 27 VAL HG11 . 18926 1 144 . 1 1 27 27 VAL HG12 H 1 1.024 0.010 . 1 . . . A 27 VAL HG12 . 18926 1 145 . 1 1 27 27 VAL HG13 H 1 1.024 0.010 . 1 . . . A 27 VAL HG13 . 18926 1 146 . 1 1 27 27 VAL HG21 H 1 1.024 0.010 . 1 . . . A 27 VAL HG21 . 18926 1 147 . 1 1 27 27 VAL HG22 H 1 1.024 0.010 . 1 . . . A 27 VAL HG22 . 18926 1 148 . 1 1 27 27 VAL HG23 H 1 1.024 0.010 . 1 . . . A 27 VAL HG23 . 18926 1 149 . 1 1 28 28 ALA H H 1 7.707 0.010 . 1 . . . A 28 ALA H . 18926 1 150 . 1 1 28 28 ALA HA H 1 4.867 0.010 . 1 . . . A 28 ALA HA . 18926 1 151 . 1 1 28 28 ALA HB1 H 1 1.579 0.010 . 1 . . . A 28 ALA HB1 . 18926 1 152 . 1 1 28 28 ALA HB2 H 1 1.579 0.010 . 1 . . . A 28 ALA HB2 . 18926 1 153 . 1 1 28 28 ALA HB3 H 1 1.579 0.010 . 1 . . . A 28 ALA HB3 . 18926 1 154 . 1 1 29 29 GLY H H 1 8.317 0.010 . 1 . . . A 29 GLY H . 18926 1 155 . 1 1 29 29 GLY HA2 H 1 3.939 0.010 . 1 . . . A 29 GLY HA2 . 18926 1 156 . 1 1 29 29 GLY HA3 H 1 4.857 0.010 . 1 . . . A 29 GLY HA3 . 18926 1 157 . 1 1 30 30 VAL H H 1 8.832 0.010 . 1 . . . A 30 VAL H . 18926 1 158 . 1 1 30 30 VAL HA H 1 4.840 0.010 . 1 . . . A 30 VAL HA . 18926 1 159 . 1 1 30 30 VAL HB H 1 1.864 0.010 . 1 . . . A 30 VAL HB . 18926 1 160 . 1 1 30 30 VAL HG11 H 1 0.938 0.010 . 1 . . . A 30 VAL HG11 . 18926 1 161 . 1 1 30 30 VAL HG12 H 1 0.938 0.010 . 1 . . . A 30 VAL HG12 . 18926 1 162 . 1 1 30 30 VAL HG13 H 1 0.938 0.010 . 1 . . . A 30 VAL HG13 . 18926 1 163 . 1 1 30 30 VAL HG21 H 1 0.938 0.010 . 1 . . . A 30 VAL HG21 . 18926 1 164 . 1 1 30 30 VAL HG22 H 1 0.938 0.010 . 1 . . . A 30 VAL HG22 . 18926 1 165 . 1 1 30 30 VAL HG23 H 1 0.938 0.010 . 1 . . . A 30 VAL HG23 . 18926 1 166 . 1 1 31 31 CYS H H 1 9.092 0.010 . 1 . . . A 31 CYS H . 18926 1 167 . 1 1 31 31 CYS HA H 1 5.030 0.010 . 1 . . . A 31 CYS HA . 18926 1 168 . 1 1 31 31 CYS HB2 H 1 2.698 0.010 . 1 . . . A 31 CYS HB2 . 18926 1 169 . 1 1 31 31 CYS HB3 H 1 3.162 0.010 . 1 . . . A 31 CYS HB3 . 18926 1 170 . 1 1 32 32 VAL H H 1 9.171 0.010 . 1 . . . A 32 VAL H . 18926 1 171 . 1 1 32 32 VAL HA H 1 4.553 0.010 . 1 . . . A 32 VAL HA . 18926 1 172 . 1 1 32 32 VAL HB H 1 1.885 0.010 . 1 . . . A 32 VAL HB . 18926 1 173 . 1 1 32 32 VAL HG11 H 1 0.961 0.010 . 1 . . . A 32 VAL HG11 . 18926 1 174 . 1 1 32 32 VAL HG12 H 1 0.961 0.010 . 1 . . . A 32 VAL HG12 . 18926 1 175 . 1 1 32 32 VAL HG13 H 1 0.961 0.010 . 1 . . . A 32 VAL HG13 . 18926 1 176 . 1 1 32 32 VAL HG21 H 1 0.689 0.010 . 1 . . . A 32 VAL HG21 . 18926 1 177 . 1 1 32 32 VAL HG22 H 1 0.689 0.010 . 1 . . . A 32 VAL HG22 . 18926 1 178 . 1 1 32 32 VAL HG23 H 1 0.689 0.010 . 1 . . . A 32 VAL HG23 . 18926 1 stop_ save_