################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36158 _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 $chem_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 36158 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36158 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.Ambiguity_set_ID _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 LYS HA H 1 3.778 0.010 . . . . . . A 1 LYS HA . 36158 1 2 . 1 1 1 1 LYS HB2 H 1 1.663 0.006 . . . . . . A 1 LYS HB2 . 36158 1 3 . 1 1 1 1 LYS HB3 H 1 1.663 0.006 . . . . . . A 1 LYS HB3 . 36158 1 4 . 1 1 1 1 LYS HG2 H 1 1.231 0.000 . . . . . . A 1 LYS HG2 . 36158 1 5 . 1 1 1 1 LYS HG3 H 1 1.231 0.000 . . . . . . A 1 LYS HG3 . 36158 1 6 . 1 1 1 1 LYS HD2 H 1 1.478 0.000 . . . . . . A 1 LYS HD2 . 36158 1 7 . 1 1 1 1 LYS HD3 H 1 1.478 0.000 . . . . . . A 1 LYS HD3 . 36158 1 8 . 1 1 1 1 LYS HE2 H 1 2.779 0.000 . . . . . . A 1 LYS HE2 . 36158 1 9 . 1 1 1 1 LYS HE3 H 1 2.779 0.000 . . . . . . A 1 LYS HE3 . 36158 1 10 . 1 1 2 2 LYS H H 1 8.592 0.002 . . . . . . A 2 LYS H . 36158 1 11 . 1 1 2 2 LYS HA H 1 4.087 0.000 . . . . . . A 2 LYS HA . 36158 1 12 . 1 1 2 2 LYS HB2 H 1 1.536 0.000 . . . . . . A 2 LYS HB2 . 36158 1 13 . 1 1 2 2 LYS HB3 H 1 1.536 0.000 . . . . . . A 2 LYS HB3 . 36158 1 14 . 1 1 2 2 LYS HG2 H 1 1.199 0.000 . . . . . . A 2 LYS HG2 . 36158 1 15 . 1 1 2 2 LYS HG3 H 1 1.199 0.000 . . . . . . A 2 LYS HG3 . 36158 1 16 . 1 1 2 2 LYS HD2 H 1 2.334 0.000 . . . . . . A 2 LYS HD2 . 36158 1 17 . 1 1 2 2 LYS HD3 H 1 2.334 0.000 . . . . . . A 2 LYS HD3 . 36158 1 18 . 1 1 2 2 LYS HE2 H 1 2.739 0.000 . . . . . . A 2 LYS HE2 . 36158 1 19 . 1 1 2 2 LYS HE3 H 1 2.739 0.000 . . . . . . A 2 LYS HE3 . 36158 1 20 . 1 1 3 3 LYS H H 1 8.465 0.000 . . . . . . A 3 LYS H . 36158 1 21 . 1 1 3 3 LYS HA H 1 4.092 0.006 . . . . . . A 3 LYS HA . 36158 1 22 . 1 1 3 3 LYS HB2 H 1 1.559 0.010 . . . . . . A 3 LYS HB2 . 36158 1 23 . 1 1 3 3 LYS HB3 H 1 1.559 0.010 . . . . . . A 3 LYS HB3 . 36158 1 24 . 1 1 3 3 LYS HG2 H 1 1.227 0.005 . . . . . . A 3 LYS HG2 . 36158 1 25 . 1 1 3 3 LYS HG3 H 1 1.227 0.005 . . . . . . A 3 LYS HG3 . 36158 1 26 . 1 1 3 3 LYS HD2 H 1 2.334 0.000 . . . . . . A 3 LYS HD2 . 36158 1 27 . 1 1 3 3 LYS HD3 H 1 2.334 0.000 . . . . . . A 3 LYS HD3 . 36158 1 28 . 1 1 3 3 LYS HE2 H 1 2.748 0.000 . . . . . . A 3 LYS HE2 . 36158 1 29 . 1 1 3 3 LYS HE3 H 1 2.748 0.000 . . . . . . A 3 LYS HE3 . 36158 1 30 . 1 1 4 4 SER H H 1 8.274 0.000 . . . . . . A 4 SER H . 36158 1 31 . 1 1 4 4 SER HA H 1 4.180 0.006 . . . . . . A 4 SER HA . 36158 1 32 . 1 1 4 4 SER HB2 H 1 3.597 0.005 . . . . . . A 4 SER HB2 . 36158 1 33 . 1 1 4 4 SER HB3 H 1 3.597 0.005 . . . . . . A 4 SER HB3 . 36158 1 34 . 1 1 5 5 GLY H H 1 8.268 0.001 . . . . . . A 5 GLY H . 36158 1 35 . 1 1 5 5 GLY HA2 H 1 3.685 0.000 . . . . . . A 5 GLY HA2 . 36158 1 36 . 1 1 5 5 GLY HA3 H 1 3.594 0.000 . . . . . . A 5 GLY HA3 . 36158 1 37 . 1 1 6 6 VAL H H 1 7.522 0.001 . . . . . . A 6 VAL H . 36158 1 38 . 1 1 6 6 VAL HA H 1 3.594 0.009 . . . . . . A 6 VAL HA . 36158 1 39 . 1 1 6 6 VAL HB H 1 0.939 0.017 . . . . . . A 6 VAL HB . 36158 1 40 . 1 1 6 6 VAL HG11 H 1 0.262 0.010 . . . . . . A 6 VAL HG11 . 36158 1 41 . 1 1 6 6 VAL HG12 H 1 0.262 0.010 . . . . . . A 6 VAL HG12 . 36158 1 42 . 1 1 6 6 VAL HG13 H 1 0.262 0.010 . . . . . . A 6 VAL HG13 . 36158 1 43 . 1 1 6 6 VAL HG21 H 1 0.178 0.012 . . . . . . A 6 VAL HG21 . 36158 1 44 . 1 1 6 6 VAL HG22 H 1 0.178 0.012 . . . . . . A 6 VAL HG22 . 36158 1 45 . 1 1 6 6 VAL HG23 H 1 0.178 0.012 . . . . . . A 6 VAL HG23 . 36158 1 46 . 1 1 7 7 ILE H H 1 7.758 0.002 . . . . . . A 7 ILE H . 36158 1 47 . 1 1 7 7 ILE HA H 1 4.441 0.010 . . . . . . A 7 ILE HA . 36158 1 48 . 1 1 7 7 ILE HB H 1 1.614 0.014 . . . . . . A 7 ILE HB . 36158 1 49 . 1 1 7 7 ILE HG12 H 1 0.790 0.011 . . . . . . A 7 ILE HG12 . 36158 1 50 . 1 1 7 7 ILE HG13 H 1 0.790 0.011 . . . . . . A 7 ILE HG13 . 36158 1 51 . 1 1 7 7 ILE HG21 H 1 0.709 0.008 . . . . . . A 7 ILE HG21 . 36158 1 52 . 1 1 7 7 ILE HG22 H 1 0.709 0.008 . . . . . . A 7 ILE HG22 . 36158 1 53 . 1 1 7 7 ILE HG23 H 1 0.709 0.008 . . . . . . A 7 ILE HG23 . 36158 1 54 . 1 1 7 7 ILE HD11 H 1 0.617 0.000 . . . . . . A 7 ILE HD11 . 36158 1 55 . 1 1 7 7 ILE HD12 H 1 0.617 0.000 . . . . . . A 7 ILE HD12 . 36158 1 56 . 1 1 7 7 ILE HD13 H 1 0.617 0.000 . . . . . . A 7 ILE HD13 . 36158 1 57 . 1 1 8 8 PRO HA H 1 4.110 0.010 . . . . . . A 8 PRO HA . 36158 1 58 . 1 1 8 8 PRO HB2 H 1 2.086 0.003 . . . . . . A 8 PRO HB2 . 36158 1 59 . 1 1 8 8 PRO HB3 H 1 1.967 0.011 . . . . . . A 8 PRO HB3 . 36158 1 60 . 1 1 8 8 PRO HG2 H 1 1.769 0.024 . . . . . . A 8 PRO HG2 . 36158 1 61 . 1 1 8 8 PRO HG3 H 1 1.769 0.024 . . . . . . A 8 PRO HG3 . 36158 1 62 . 1 1 8 8 PRO HD2 H 1 3.819 0.013 . . . . . . A 8 PRO HD2 . 36158 1 63 . 1 1 8 8 PRO HD3 H 1 3.553 0.017 . . . . . . A 8 PRO HD3 . 36158 1 64 . 1 1 9 9 DBB H H 1 6.928 0.001 . . . . . . A 9 DBB H . 36158 1 65 . 1 1 9 9 DBB HA H 1 4.349 0.013 . . . . . . A 9 DBB HA . 36158 1 66 . 1 1 9 9 DBB HB2 H 1 3.356 0.012 . . . . . . A 9 DBB HB2 . 36158 1 67 . 1 1 9 9 DBB HG1 H 1 1.032 0.021 . . . . . . A 9 DBB HG1 . 36158 1 68 . 1 1 10 10 VAL H H 1 7.509 0.001 . . . . . . A 10 VAL H . 36158 1 69 . 1 1 10 10 VAL HA H 1 4.113 0.010 . . . . . . A 10 VAL HA . 36158 1 70 . 1 1 10 10 VAL HB H 1 2.095 0.011 . . . . . . A 10 VAL HB . 36158 1 71 . 1 1 10 10 VAL HG11 H 1 0.867 0.010 . . . . . . A 10 VAL HG11 . 36158 1 72 . 1 1 10 10 VAL HG12 H 1 0.867 0.010 . . . . . . A 10 VAL HG12 . 36158 1 73 . 1 1 10 10 VAL HG13 H 1 0.867 0.010 . . . . . . A 10 VAL HG13 . 36158 1 74 . 1 1 10 10 VAL HG21 H 1 0.755 0.011 . . . . . . A 10 VAL HG21 . 36158 1 75 . 1 1 10 10 VAL HG22 H 1 0.755 0.011 . . . . . . A 10 VAL HG22 . 36158 1 76 . 1 1 10 10 VAL HG23 H 1 0.755 0.011 . . . . . . A 10 VAL HG23 . 36158 1 77 . 1 1 11 11 DAL H H 1 8.935 0.003 . . . . . . A 11 DAL H . 36158 1 78 . 1 1 11 11 DAL HA H 1 4.456 0.013 . . . . . . A 11 DAL HA . 36158 1 79 . 1 1 11 11 DAL HB1 H 1 2.875 0.015 . . . . . . A 11 DAL HB1 . 36158 1 80 . 1 1 11 11 DAL HB2 H 1 2.442 0.021 . . . . . . A 11 DAL HB2 . 36158 1 81 . 1 1 12 12 HIS H H 1 8.505 0.006 . . . . . . A 12 HIS H . 36158 1 82 . 1 1 12 12 HIS HA H 1 4.214 0.006 . . . . . . A 12 HIS HA . 36158 1 83 . 1 1 12 12 HIS HB2 H 1 2.945 0.002 . . . . . . A 12 HIS HB2 . 36158 1 84 . 1 1 12 12 HIS HB3 H 1 2.945 0.002 . . . . . . A 12 HIS HB3 . 36158 1 85 . 1 1 12 12 HIS HD2 H 1 6.984 0.008 . . . . . . A 12 HIS HD2 . 36158 1 86 . 1 1 13 13 ASP H H 1 8.964 0.004 . . . . . . A 13 ASP H . 36158 1 87 . 1 1 13 13 ASP HA H 1 4.059 0.014 . . . . . . A 13 ASP HA . 36158 1 88 . 1 1 13 13 ASP HB2 H 1 2.848 0.003 . . . . . . A 13 ASP HB2 . 36158 1 89 . 1 1 13 13 ASP HB3 H 1 2.412 0.034 . . . . . . A 13 ASP HB3 . 36158 1 90 . 1 1 14 14 CYS H H 1 8.118 0.001 . . . . . . A 14 CYS H . 36158 1 91 . 1 1 14 14 CYS HA H 1 3.939 0.010 . . . . . . A 14 CYS HA . 36158 1 92 . 1 1 14 14 CYS HB2 H 1 2.555 0.009 . . . . . . A 14 CYS HB2 . 36158 1 93 . 1 1 14 14 CYS HB3 H 1 2.555 0.009 . . . . . . A 14 CYS HB3 . 36158 1 94 . 1 1 15 15 HIS H H 1 8.479 0.002 . . . . . . A 15 HIS H . 36158 1 95 . 1 1 15 15 HIS HA H 1 4.063 0.010 . . . . . . A 15 HIS HA . 36158 1 96 . 1 1 15 15 HIS HB2 H 1 3.025 0.006 . . . . . . A 15 HIS HB2 . 36158 1 97 . 1 1 15 15 HIS HB3 H 1 3.025 0.006 . . . . . . A 15 HIS HB3 . 36158 1 98 . 1 1 15 15 HIS HD2 H 1 7.104 0.002 . . . . . . A 15 HIS HD2 . 36158 1 99 . 1 1 16 16 MET H H 1 7.030 0.004 . . . . . . A 16 MET H . 36158 1 100 . 1 1 16 16 MET HA H 1 4.539 0.013 . . . . . . A 16 MET HA . 36158 1 101 . 1 1 16 16 MET HB2 H 1 1.564 0.010 . . . . . . A 16 MET HB2 . 36158 1 102 . 1 1 16 16 MET HB3 H 1 1.564 0.010 . . . . . . A 16 MET HB3 . 36158 1 103 . 1 1 16 16 MET HG2 H 1 2.221 0.009 . . . . . . A 16 MET HG2 . 36158 1 104 . 1 1 16 16 MET HG3 H 1 2.008 0.004 . . . . . . A 16 MET HG3 . 36158 1 105 . 1 1 17 17 ASN H H 1 8.312 0.001 . . . . . . A 17 ASN H . 36158 1 106 . 1 1 17 17 ASN HA H 1 3.933 0.010 . . . . . . A 17 ASN HA . 36158 1 107 . 1 1 17 17 ASN HB2 H 1 2.316 0.014 . . . . . . A 17 ASN HB2 . 36158 1 108 . 1 1 17 17 ASN HB3 H 1 2.171 0.026 . . . . . . A 17 ASN HB3 . 36158 1 109 . 1 1 17 17 ASN HD21 H 1 7.309 0.000 . . . . . . A 17 ASN HD21 . 36158 1 110 . 1 1 17 17 ASN HD22 H 1 6.759 0.002 . . . . . . A 17 ASN HD22 . 36158 1 111 . 1 1 18 18 DAL H H 1 7.422 0.003 . . . . . . A 18 DAL H . 36158 1 112 . 1 1 18 18 DAL HA H 1 3.863 0.012 . . . . . . A 18 DAL HA . 36158 1 113 . 1 1 18 18 DAL HB1 H 1 3.166 0.016 . . . . . . A 18 DAL HB1 . 36158 1 114 . 1 1 18 18 DAL HB2 H 1 2.084 0.015 . . . . . . A 18 DAL HB2 . 36158 1 115 . 1 1 19 19 PHE H H 1 8.147 0.001 . . . . . . A 19 PHE H . 36158 1 116 . 1 1 19 19 PHE HA H 1 4.373 0.013 . . . . . . A 19 PHE HA . 36158 1 117 . 1 1 19 19 PHE HB2 H 1 3.047 0.011 . . . . . . A 19 PHE HB2 . 36158 1 118 . 1 1 19 19 PHE HB3 H 1 2.793 0.003 . . . . . . A 19 PHE HB3 . 36158 1 119 . 1 1 19 19 PHE HD1 H 1 6.932 0.006 . . . . . . A 19 PHE HD1 . 36158 1 120 . 1 1 19 19 PHE HD2 H 1 6.932 0.006 . . . . . . A 19 PHE HD2 . 36158 1 121 . 1 1 19 19 PHE HE1 H 1 7.114 0.005 . . . . . . A 19 PHE HE1 . 36158 1 122 . 1 1 19 19 PHE HE2 H 1 7.114 0.005 . . . . . . A 19 PHE HE2 . 36158 1 123 . 1 1 19 19 PHE HZ H 1 7.053 0.002 . . . . . . A 19 PHE HZ . 36158 1 124 . 1 1 20 20 GLN H H 1 7.343 0.002 . . . . . . A 20 GLN H . 36158 1 125 . 1 1 20 20 GLN HA H 1 4.347 0.005 . . . . . . A 20 GLN HA . 36158 1 126 . 1 1 20 20 GLN HB2 H 1 1.627 0.000 . . . . . . A 20 GLN HB2 . 36158 1 127 . 1 1 20 20 GLN HB3 H 1 1.627 0.000 . . . . . . A 20 GLN HB3 . 36158 1 128 . 1 1 20 20 GLN HG2 H 1 1.985 0.015 . . . . . . A 20 GLN HG2 . 36158 1 129 . 1 1 20 20 GLN HG3 H 1 1.985 0.015 . . . . . . A 20 GLN HG3 . 36158 1 130 . 1 1 21 21 PHE H H 1 8.467 0.002 . . . . . . A 21 PHE H . 36158 1 131 . 1 1 21 21 PHE HA H 1 4.819 0.016 . . . . . . A 21 PHE HA . 36158 1 132 . 1 1 21 21 PHE HB2 H 1 2.268 0.012 . . . . . . A 21 PHE HB2 . 36158 1 133 . 1 1 21 21 PHE HB3 H 1 2.442 0.009 . . . . . . A 21 PHE HB3 . 36158 1 134 . 1 1 21 21 PHE HD1 H 1 6.585 0.008 . . . . . . A 21 PHE HD1 . 36158 1 135 . 1 1 21 21 PHE HD2 H 1 6.585 0.008 . . . . . . A 21 PHE HD2 . 36158 1 136 . 1 1 21 21 PHE HE1 H 1 6.938 0.009 . . . . . . A 21 PHE HE1 . 36158 1 137 . 1 1 21 21 PHE HE2 H 1 6.938 0.009 . . . . . . A 21 PHE HE2 . 36158 1 138 . 1 1 21 21 PHE HZ H 1 6.734 0.012 . . . . . . A 21 PHE HZ . 36158 1 139 . 1 1 22 22 VAL H H 1 8.704 0.004 . . . . . . A 22 VAL H . 36158 1 140 . 1 1 22 22 VAL HA H 1 3.844 0.010 . . . . . . A 22 VAL HA . 36158 1 141 . 1 1 22 22 VAL HB H 1 1.646 0.016 . . . . . . A 22 VAL HB . 36158 1 142 . 1 1 22 22 VAL HG11 H 1 0.603 0.013 . . . . . . A 22 VAL HG11 . 36158 1 143 . 1 1 22 22 VAL HG12 H 1 0.603 0.013 . . . . . . A 22 VAL HG12 . 36158 1 144 . 1 1 22 22 VAL HG13 H 1 0.603 0.013 . . . . . . A 22 VAL HG13 . 36158 1 145 . 1 1 22 22 VAL HG21 H 1 0.558 0.029 . . . . . . A 22 VAL HG21 . 36158 1 146 . 1 1 22 22 VAL HG22 H 1 0.558 0.029 . . . . . . A 22 VAL HG22 . 36158 1 147 . 1 1 22 22 VAL HG23 H 1 0.558 0.029 . . . . . . A 22 VAL HG23 . 36158 1 148 . 1 1 23 23 PHE H H 1 9.350 0.001 . . . . . . A 23 PHE H . 36158 1 149 . 1 1 23 23 PHE HA H 1 4.277 0.007 . . . . . . A 23 PHE HA . 36158 1 150 . 1 1 23 23 PHE HB2 H 1 3.215 0.006 . . . . . . A 23 PHE HB2 . 36158 1 151 . 1 1 23 23 PHE HB3 H 1 2.847 0.012 . . . . . . A 23 PHE HB3 . 36158 1 152 . 1 1 23 23 PHE HD1 H 1 7.071 0.006 . . . . . . A 23 PHE HD1 . 36158 1 153 . 1 1 23 23 PHE HD2 H 1 7.071 0.006 . . . . . . A 23 PHE HD2 . 36158 1 154 . 1 1 23 23 PHE HE1 H 1 7.168 0.000 . . . . . . A 23 PHE HE1 . 36158 1 155 . 1 1 23 23 PHE HE2 H 1 7.168 0.000 . . . . . . A 23 PHE HE2 . 36158 1 156 . 1 1 23 23 PHE HZ H 1 7.098 0.000 . . . . . . A 23 PHE HZ . 36158 1 157 . 1 1 24 24 DBU H H 1 9.347 0.002 . . . . . . A 24 DBU H . 36158 1 158 . 1 1 24 24 DBU HB H 1 6.757 0.011 . . . . . . A 24 DBU HB . 36158 1 159 . 1 1 24 24 DBU HG1 H 1 1.490 0.006 . . . . . . A 24 DBU HG1 . 36158 1 160 . 1 1 25 25 CYS H H 1 7.785 0.006 . . . . . . A 25 CYS H . 36158 1 161 . 1 1 25 25 CYS HA H 1 5.008 0.015 . . . . . . A 25 CYS HA . 36158 1 162 . 1 1 25 25 CYS HB2 H 1 3.263 0.017 . . . . . . A 25 CYS HB2 . 36158 1 163 . 1 1 25 25 CYS HB3 H 1 2.541 0.014 . . . . . . A 25 CYS HB3 . 36158 1 164 . 1 1 26 26 CYS H H 1 8.724 0.006 . . . . . . A 26 CYS H . 36158 1 165 . 1 1 26 26 CYS HA H 1 3.817 0.003 . . . . . . A 26 CYS HA . 36158 1 166 . 1 1 26 26 CYS HB2 H 1 3.072 0.020 . . . . . . A 26 CYS HB2 . 36158 1 167 . 1 1 26 26 CYS HB3 H 1 2.985 0.013 . . . . . . A 26 CYS HB3 . 36158 1 168 . 1 1 27 27 SER H H 1 8.396 0.000 . . . . . . A 27 SER H . 36158 1 169 . 1 1 27 27 SER HA H 1 4.297 0.000 . . . . . . A 27 SER HA . 36158 1 170 . 1 1 27 27 SER HB2 H 1 3.721 0.000 . . . . . . A 27 SER HB2 . 36158 1 171 . 1 1 27 27 SER HB3 H 1 3.721 0.000 . . . . . . A 27 SER HB3 . 36158 1 stop_ save_