################################### # 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 11536 _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' 1 $sample_1 isotropic 11536 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11536 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 ALA HA H 1 4.146 0.02 . 1 . . . A 1 ALA HA . 11536 1 2 . 1 1 1 1 ALA HB1 H 1 1.515 0.02 . 1 . . . A 1 ALA HB1 . 11536 1 3 . 1 1 1 1 ALA HB2 H 1 1.515 0.02 . 1 . . . A 1 ALA HB2 . 11536 1 4 . 1 1 1 1 ALA HB3 H 1 1.515 0.02 . 1 . . . A 1 ALA HB3 . 11536 1 5 . 1 1 2 2 CYS H H 1 8.763 0.02 . 1 . . . A 2 CYS H . 11536 1 6 . 1 1 2 2 CYS HA H 1 4.680 0.02 . 1 . . . A 2 CYS HA . 11536 1 7 . 1 1 2 2 CYS HB2 H 1 3.003 0.02 . 1 . . . A 2 CYS HB2 . 11536 1 8 . 1 1 2 2 CYS HB3 H 1 3.160 0.02 . 1 . . . A 2 CYS HB3 . 11536 1 9 . 1 1 3 3 VAL H H 1 7.997 0.02 . 1 . . . A 3 VAL H . 11536 1 10 . 1 1 3 3 VAL HA H 1 3.934 0.02 . 1 . . . A 3 VAL HA . 11536 1 11 . 1 1 3 3 VAL HB H 1 2.098 0.02 . 1 . . . A 3 VAL HB . 11536 1 12 . 1 1 3 3 VAL HG11 H 1 0.905 0.02 . 2 . . . A 3 VAL HG11 . 11536 1 13 . 1 1 3 3 VAL HG12 H 1 0.905 0.02 . 2 . . . A 3 VAL HG12 . 11536 1 14 . 1 1 3 3 VAL HG13 H 1 0.905 0.02 . 2 . . . A 3 VAL HG13 . 11536 1 15 . 1 1 3 3 VAL HG21 H 1 0.877 0.02 . 2 . . . A 3 VAL HG21 . 11536 1 16 . 1 1 3 3 VAL HG22 H 1 0.877 0.02 . 2 . . . A 3 VAL HG22 . 11536 1 17 . 1 1 3 3 VAL HG23 H 1 0.877 0.02 . 2 . . . A 3 VAL HG23 . 11536 1 18 . 1 1 4 4 GLU H H 1 7.683 0.02 . 1 . . . A 4 GLU H . 11536 1 19 . 1 1 4 4 GLU HA H 1 4.315 0.02 . 1 . . . A 4 GLU HA . 11536 1 20 . 1 1 4 4 GLU HB2 H 1 2.261 0.02 . 1 . . . A 4 GLU HB2 . 11536 1 21 . 1 1 4 4 GLU HB3 H 1 2.261 0.02 . 1 . . . A 4 GLU HB3 . 11536 1 22 . 1 1 4 4 GLU HG2 H 1 1.889 0.02 . 2 . . . A 4 GLU HG2 . 11536 1 23 . 1 1 4 4 GLU HG3 H 1 1.847 0.02 . 2 . . . A 4 GLU HG3 . 11536 1 24 . 1 1 5 5 ASN H H 1 8.334 0.02 . 1 . . . A 5 ASN H . 11536 1 25 . 1 1 5 5 ASN HA H 1 4.594 0.02 . 1 . . . A 5 ASN HA . 11536 1 26 . 1 1 5 5 ASN HB2 H 1 2.952 0.02 . 2 . . . A 5 ASN HB2 . 11536 1 27 . 1 1 5 5 ASN HB3 H 1 2.853 0.02 . 2 . . . A 5 ASN HB3 . 11536 1 28 . 1 1 5 5 ASN HD21 H 1 7.039 0.02 . 2 . . . A 5 ASN HD21 . 11536 1 29 . 1 1 5 5 ASN HD22 H 1 7.861 0.02 . 2 . . . A 5 ASN HD22 . 11536 1 30 . 1 1 6 6 CYS H H 1 8.740 0.02 . 1 . . . A 6 CYS H . 11536 1 31 . 1 1 6 6 CYS HA H 1 4.553 0.02 . 1 . . . A 6 CYS HA . 11536 1 32 . 1 1 6 6 CYS HB2 H 1 2.594 0.02 . 1 . . . A 6 CYS HB2 . 11536 1 33 . 1 1 6 6 CYS HB3 H 1 2.594 0.02 . 1 . . . A 6 CYS HB3 . 11536 1 34 . 1 1 7 7 ARG H H 1 8.346 0.02 . 1 . . . A 7 ARG H . 11536 1 35 . 1 1 7 7 ARG HA H 1 3.797 0.02 . 1 . . . A 7 ARG HA . 11536 1 36 . 1 1 7 7 ARG HB2 H 1 2.014 0.02 . 1 . . . A 7 ARG HB2 . 11536 1 37 . 1 1 7 7 ARG HB3 H 1 2.014 0.02 . 1 . . . A 7 ARG HB3 . 11536 1 38 . 1 1 7 7 ARG HG2 H 1 1.494 0.02 . 2 . . . A 7 ARG HG2 . 11536 1 39 . 1 1 7 7 ARG HG3 H 1 1.735 0.02 . 2 . . . A 7 ARG HG3 . 11536 1 40 . 1 1 7 7 ARG HD2 H 1 3.311 0.02 . 1 . . . A 7 ARG HD2 . 11536 1 41 . 1 1 7 7 ARG HD3 H 1 3.311 0.02 . 1 . . . A 7 ARG HD3 . 11536 1 42 . 1 1 8 8 LYS H H 1 7.507 0.02 . 1 . . . A 8 LYS H . 11536 1 43 . 1 1 8 8 LYS HA H 1 4.011 0.02 . 1 . . . A 8 LYS HA . 11536 1 44 . 1 1 8 8 LYS HB2 H 1 1.760 0.02 . 2 . . . A 8 LYS HB2 . 11536 1 45 . 1 1 8 8 LYS HB3 H 1 1.830 0.02 . 2 . . . A 8 LYS HB3 . 11536 1 46 . 1 1 8 8 LYS HG2 H 1 1.440 0.02 . 2 . . . A 8 LYS HG2 . 11536 1 47 . 1 1 8 8 LYS HG3 H 1 1.411 0.02 . 2 . . . A 8 LYS HG3 . 11536 1 48 . 1 1 8 8 LYS HD2 H 1 1.670 0.02 . 1 . . . A 8 LYS HD2 . 11536 1 49 . 1 1 8 8 LYS HD3 H 1 1.670 0.02 . 1 . . . A 8 LYS HD3 . 11536 1 50 . 1 1 8 8 LYS HE2 H 1 3.033 0.02 . 1 . . . A 8 LYS HE2 . 11536 1 51 . 1 1 8 8 LYS HE3 H 1 3.033 0.02 . 1 . . . A 8 LYS HE3 . 11536 1 52 . 1 1 9 9 TYR H H 1 8.398 0.02 . 1 . . . A 9 TYR H . 11536 1 53 . 1 1 9 9 TYR HA H 1 4.103 0.02 . 1 . . . A 9 TYR HA . 11536 1 54 . 1 1 9 9 TYR HB2 H 1 3.111 0.02 . 2 . . . A 9 TYR HB2 . 11536 1 55 . 1 1 9 9 TYR HB3 H 1 2.951 0.02 . 2 . . . A 9 TYR HB3 . 11536 1 56 . 1 1 9 9 TYR HD1 H 1 6.762 0.02 . 3 . . . A 9 TYR HD1 . 11536 1 57 . 1 1 9 9 TYR HD2 H 1 6.762 0.02 . 3 . . . A 9 TYR HD2 . 11536 1 58 . 1 1 9 9 TYR HE1 H 1 7.105 0.02 . 3 . . . A 9 TYR HE1 . 11536 1 59 . 1 1 9 9 TYR HE2 H 1 7.105 0.02 . 3 . . . A 9 TYR HE2 . 11536 1 60 . 1 1 10 10 CYS H H 1 8.050 0.02 . 1 . . . A 10 CYS H . 11536 1 61 . 1 1 10 10 CYS HA H 1 4.118 0.02 . 1 . . . A 10 CYS HA . 11536 1 62 . 1 1 10 10 CYS HB2 H 1 2.466 0.02 . 2 . . . A 10 CYS HB2 . 11536 1 63 . 1 1 10 10 CYS HB3 H 1 2.649 0.02 . 2 . . . A 10 CYS HB3 . 11536 1 64 . 1 1 11 11 GLN H H 1 8.664 0.02 . 1 . . . A 11 GLN H . 11536 1 65 . 1 1 11 11 GLN HA H 1 4.378 0.02 . 1 . . . A 11 GLN HA . 11536 1 66 . 1 1 11 11 GLN HB2 H 1 2.191 0.02 . 2 . . . A 11 GLN HB2 . 11536 1 67 . 1 1 11 11 GLN HB3 H 1 1.993 0.02 . 2 . . . A 11 GLN HB3 . 11536 1 68 . 1 1 11 11 GLN HG2 H 1 2.252 0.02 . 2 . . . A 11 GLN HG2 . 11536 1 69 . 1 1 11 11 GLN HG3 H 1 2.441 0.02 . 2 . . . A 11 GLN HG3 . 11536 1 70 . 1 1 11 11 GLN HE21 H 1 7.249 0.02 . 2 . . . A 11 GLN HE21 . 11536 1 71 . 1 1 11 11 GLN HE22 H 1 6.656 0.02 . 2 . . . A 11 GLN HE22 . 11536 1 72 . 1 1 12 12 ASP H H 1 8.433 0.02 . 1 . . . A 12 ASP H . 11536 1 73 . 1 1 12 12 ASP HA H 1 4.507 0.02 . 1 . . . A 12 ASP HA . 11536 1 74 . 1 1 12 12 ASP HB2 H 1 2.979 0.02 . 2 . . . A 12 ASP HB2 . 11536 1 75 . 1 1 12 12 ASP HB3 H 1 2.842 0.02 . 2 . . . A 12 ASP HB3 . 11536 1 76 . 1 1 13 13 LYS H H 1 7.153 0.02 . 1 . . . A 13 LYS H . 11536 1 77 . 1 1 13 13 LYS HA H 1 4.446 0.02 . 1 . . . A 13 LYS HA . 11536 1 78 . 1 1 13 13 LYS HB2 H 1 2.035 0.02 . 2 . . . A 13 LYS HB2 . 11536 1 79 . 1 1 13 13 LYS HB3 H 1 1.815 0.02 . 2 . . . A 13 LYS HB3 . 11536 1 80 . 1 1 13 13 LYS HG2 H 1 1.294 0.02 . 1 . . . A 13 LYS HG2 . 11536 1 81 . 1 1 13 13 LYS HG3 H 1 1.294 0.02 . 1 . . . A 13 LYS HG3 . 11536 1 82 . 1 1 13 13 LYS HD2 H 1 1.412 0.02 . 1 . . . A 13 LYS HD2 . 11536 1 83 . 1 1 13 13 LYS HD3 H 1 1.412 0.02 . 1 . . . A 13 LYS HD3 . 11536 1 84 . 1 1 13 13 LYS HE2 H 1 2.879 0.02 . 2 . . . A 13 LYS HE2 . 11536 1 85 . 1 1 13 13 LYS HE3 H 1 2.698 0.02 . 2 . . . A 13 LYS HE3 . 11536 1 86 . 1 1 14 14 GLY H H 1 7.803 0.02 . 1 . . . A 14 GLY H . 11536 1 87 . 1 1 14 14 GLY HA2 H 1 4.420 0.02 . 2 . . . A 14 GLY HA2 . 11536 1 88 . 1 1 14 14 GLY HA3 H 1 3.799 0.02 . 2 . . . A 14 GLY HA3 . 11536 1 89 . 1 1 15 15 ALA H H 1 7.796 0.02 . 1 . . . A 15 ALA H . 11536 1 90 . 1 1 15 15 ALA HA H 1 4.121 0.02 . 1 . . . A 15 ALA HA . 11536 1 91 . 1 1 15 15 ALA HB1 H 1 0.625 0.02 . 1 . . . A 15 ALA HB1 . 11536 1 92 . 1 1 15 15 ALA HB2 H 1 0.625 0.02 . 1 . . . A 15 ALA HB2 . 11536 1 93 . 1 1 15 15 ALA HB3 H 1 0.625 0.02 . 1 . . . A 15 ALA HB3 . 11536 1 94 . 1 1 16 16 ARG H H 1 8.290 0.02 . 1 . . . A 16 ARG H . 11536 1 95 . 1 1 16 16 ARG HA H 1 4.289 0.02 . 1 . . . A 16 ARG HA . 11536 1 96 . 1 1 16 16 ARG HB2 H 1 1.801 0.02 . 2 . . . A 16 ARG HB2 . 11536 1 97 . 1 1 16 16 ARG HB3 H 1 1.736 0.02 . 2 . . . A 16 ARG HB3 . 11536 1 98 . 1 1 16 16 ARG HG2 H 1 1.654 0.02 . 1 . . . A 16 ARG HG2 . 11536 1 99 . 1 1 16 16 ARG HG3 H 1 1.654 0.02 . 1 . . . A 16 ARG HG3 . 11536 1 100 . 1 1 16 16 ARG HD2 H 1 3.194 0.02 . 1 . . . A 16 ARG HD2 . 11536 1 101 . 1 1 16 16 ARG HD3 H 1 3.194 0.02 . 1 . . . A 16 ARG HD3 . 11536 1 102 . 1 1 17 17 ASN H H 1 7.942 0.02 . 1 . . . A 17 ASN H . 11536 1 103 . 1 1 17 17 ASN HA H 1 4.763 0.02 . 1 . . . A 17 ASN HA . 11536 1 104 . 1 1 17 17 ASN HB2 H 1 2.846 0.02 . 2 . . . A 17 ASN HB2 . 11536 1 105 . 1 1 17 17 ASN HB3 H 1 2.611 0.02 . 2 . . . A 17 ASN HB3 . 11536 1 106 . 1 1 17 17 ASN HD21 H 1 6.930 0.02 . 2 . . . A 17 ASN HD21 . 11536 1 107 . 1 1 17 17 ASN HD22 H 1 7.605 0.02 . 2 . . . A 17 ASN HD22 . 11536 1 108 . 1 1 18 18 GLY H H 1 8.717 0.02 . 1 . . . A 18 GLY H . 11536 1 109 . 1 1 18 18 GLY HA2 H 1 5.210 0.02 . 2 . . . A 18 GLY HA2 . 11536 1 110 . 1 1 18 18 GLY HA3 H 1 3.915 0.02 . 2 . . . A 18 GLY HA3 . 11536 1 111 . 1 1 19 19 LYS H H 1 8.740 0.02 . 1 . . . A 19 LYS H . 11536 1 112 . 1 1 19 19 LYS HA H 1 4.672 0.02 . 1 . . . A 19 LYS HA . 11536 1 113 . 1 1 19 19 LYS HB2 H 1 1.878 0.02 . 2 . . . A 19 LYS HB2 . 11536 1 114 . 1 1 19 19 LYS HB3 H 1 1.925 0.02 . 2 . . . A 19 LYS HB3 . 11536 1 115 . 1 1 19 19 LYS HG2 H 1 1.495 0.02 . 2 . . . A 19 LYS HG2 . 11536 1 116 . 1 1 19 19 LYS HG3 H 1 1.410 0.02 . 2 . . . A 19 LYS HG3 . 11536 1 117 . 1 1 19 19 LYS HD2 H 1 1.707 0.02 . 1 . . . A 19 LYS HD2 . 11536 1 118 . 1 1 19 19 LYS HD3 H 1 1.707 0.02 . 1 . . . A 19 LYS HD3 . 11536 1 119 . 1 1 19 19 LYS HE2 H 1 2.917 0.02 . 2 . . . A 19 LYS HE2 . 11536 1 120 . 1 1 19 19 LYS HE3 H 1 2.880 0.02 . 2 . . . A 19 LYS HE3 . 11536 1 121 . 1 1 20 20 CYS H H 1 9.117 0.02 . 1 . . . A 20 CYS H . 11536 1 122 . 1 1 20 20 CYS HA H 1 4.920 0.02 . 1 . . . A 20 CYS HA . 11536 1 123 . 1 1 20 20 CYS HB2 H 1 3.067 0.02 . 2 . . . A 20 CYS HB2 . 11536 1 124 . 1 1 20 20 CYS HB3 H 1 3.171 0.02 . 2 . . . A 20 CYS HB3 . 11536 1 125 . 1 1 21 21 ILE H H 1 8.951 0.02 . 1 . . . A 21 ILE H . 11536 1 126 . 1 1 21 21 ILE HA H 1 4.296 0.02 . 1 . . . A 21 ILE HA . 11536 1 127 . 1 1 21 21 ILE HB H 1 1.552 0.02 . 1 . . . A 21 ILE HB . 11536 1 128 . 1 1 21 21 ILE HG12 H 1 1.406 0.02 . 2 . . . A 21 ILE HG12 . 11536 1 129 . 1 1 21 21 ILE HG13 H 1 1.029 0.02 . 2 . . . A 21 ILE HG13 . 11536 1 130 . 1 1 21 21 ILE HG21 H 1 0.833 0.02 . 1 . . . A 21 ILE HG21 . 11536 1 131 . 1 1 21 21 ILE HG22 H 1 0.833 0.02 . 1 . . . A 21 ILE HG22 . 11536 1 132 . 1 1 21 21 ILE HG23 H 1 0.833 0.02 . 1 . . . A 21 ILE HG23 . 11536 1 133 . 1 1 21 21 ILE HD11 H 1 0.698 0.02 . 1 . . . A 21 ILE HD11 . 11536 1 134 . 1 1 21 21 ILE HD12 H 1 0.698 0.02 . 1 . . . A 21 ILE HD12 . 11536 1 135 . 1 1 21 21 ILE HD13 H 1 0.698 0.02 . 1 . . . A 21 ILE HD13 . 11536 1 136 . 1 1 22 22 ASN H H 1 9.451 0.02 . 1 . . . A 22 ASN H . 11536 1 137 . 1 1 22 22 ASN HA H 1 4.336 0.02 . 1 . . . A 22 ASN HA . 11536 1 138 . 1 1 22 22 ASN HB2 H 1 3.095 0.02 . 2 . . . A 22 ASN HB2 . 11536 1 139 . 1 1 22 22 ASN HB3 H 1 2.864 0.02 . 2 . . . A 22 ASN HB3 . 11536 1 140 . 1 1 23 23 SER H H 1 8.538 0.02 . 1 . . . A 23 SER H . 11536 1 141 . 1 1 23 23 SER HA H 1 4.075 0.02 . 1 . . . A 23 SER HA . 11536 1 142 . 1 1 23 23 SER HB2 H 1 3.880 0.02 . 1 . . . A 23 SER HB2 . 11536 1 143 . 1 1 23 23 SER HB3 H 1 3.880 0.02 . 1 . . . A 23 SER HB3 . 11536 1 144 . 1 1 24 24 ASN H H 1 7.848 0.02 . 1 . . . A 24 ASN H . 11536 1 145 . 1 1 24 24 ASN HA H 1 4.944 0.02 . 1 . . . A 24 ASN HA . 11536 1 146 . 1 1 24 24 ASN HB2 H 1 2.666 0.02 . 2 . . . A 24 ASN HB2 . 11536 1 147 . 1 1 24 24 ASN HB3 H 1 2.617 0.02 . 2 . . . A 24 ASN HB3 . 11536 1 148 . 1 1 24 24 ASN HD21 H 1 6.954 0.02 . 2 . . . A 24 ASN HD21 . 11536 1 149 . 1 1 24 24 ASN HD22 H 1 7.462 0.02 . 2 . . . A 24 ASN HD22 . 11536 1 150 . 1 1 25 25 CYS H H 1 8.963 0.02 . 1 . . . A 25 CYS H . 11536 1 151 . 1 1 25 25 CYS HA H 1 5.118 0.02 . 1 . . . A 25 CYS HA . 11536 1 152 . 1 1 25 25 CYS HB2 H 1 2.488 0.02 . 2 . . . A 25 CYS HB2 . 11536 1 153 . 1 1 25 25 CYS HB3 H 1 2.621 0.02 . 2 . . . A 25 CYS HB3 . 11536 1 154 . 1 1 26 26 HIS H H 1 9.408 0.02 . 1 . . . A 26 HIS H . 11536 1 155 . 1 1 26 26 HIS HA H 1 4.733 0.02 . 1 . . . A 26 HIS HA . 11536 1 156 . 1 1 26 26 HIS HB2 H 1 3.066 0.02 . 2 . . . A 26 HIS HB2 . 11536 1 157 . 1 1 26 26 HIS HB3 H 1 3.165 0.02 . 2 . . . A 26 HIS HB3 . 11536 1 158 . 1 1 27 27 CYS H H 1 8.670 0.02 . 1 . . . A 27 CYS H . 11536 1 159 . 1 1 27 27 CYS HA H 1 5.287 0.02 . 1 . . . A 27 CYS HA . 11536 1 160 . 1 1 27 27 CYS HB2 H 1 2.601 0.02 . 2 . . . A 27 CYS HB2 . 11536 1 161 . 1 1 27 27 CYS HB3 H 1 2.514 0.02 . 2 . . . A 27 CYS HB3 . 11536 1 162 . 1 1 28 28 TYR H H 1 8.172 0.02 . 1 . . . A 28 TYR H . 11536 1 163 . 1 1 28 28 TYR HA H 1 4.798 0.02 . 1 . . . A 28 TYR HA . 11536 1 164 . 1 1 28 28 TYR HB2 H 1 3.171 0.02 . 2 . . . A 28 TYR HB2 . 11536 1 165 . 1 1 28 28 TYR HB3 H 1 2.508 0.02 . 2 . . . A 28 TYR HB3 . 11536 1 166 . 1 1 28 28 TYR HD1 H 1 6.992 0.02 . 3 . . . A 28 TYR HD1 . 11536 1 167 . 1 1 28 28 TYR HD2 H 1 6.992 0.02 . 3 . . . A 28 TYR HD2 . 11536 1 168 . 1 1 28 28 TYR HE1 H 1 6.694 0.02 . 3 . . . A 28 TYR HE1 . 11536 1 169 . 1 1 28 28 TYR HE2 H 1 6.694 0.02 . 3 . . . A 28 TYR HE2 . 11536 1 170 . 1 1 29 29 TYR H H 1 8.844 0.02 . 1 . . . A 29 TYR H . 11536 1 171 . 1 1 29 29 TYR HA H 1 4.235 0.02 . 1 . . . A 29 TYR HA . 11536 1 172 . 1 1 29 29 TYR HB2 H 1 2.814 0.02 . 2 . . . A 29 TYR HB2 . 11536 1 173 . 1 1 29 29 TYR HB3 H 1 3.273 0.02 . 2 . . . A 29 TYR HB3 . 11536 1 174 . 1 1 29 29 TYR HD1 H 1 6.659 0.02 . 3 . . . A 29 TYR HD1 . 11536 1 175 . 1 1 29 29 TYR HD2 H 1 6.659 0.02 . 3 . . . A 29 TYR HD2 . 11536 1 176 . 1 1 29 29 TYR HE1 H 1 7.159 0.02 . 3 . . . A 29 TYR HE1 . 11536 1 177 . 1 1 29 29 TYR HE2 H 1 7.159 0.02 . 3 . . . A 29 TYR HE2 . 11536 1 stop_ save_