################################### # 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 36157 _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 36157 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36157 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 4.312 0.003 . . . . . . A 1 LYS HA . 36157 1 2 . 1 1 1 1 LYS HB2 H 1 2.180 0.000 . . . . . . A 1 LYS HB2 . 36157 1 3 . 1 1 1 1 LYS HB3 H 1 2.180 0.000 . . . . . . A 1 LYS HB3 . 36157 1 4 . 1 1 1 1 LYS HG2 H 1 1.740 0.000 . . . . . . A 1 LYS HG2 . 36157 1 5 . 1 1 1 1 LYS HG3 H 1 1.740 0.000 . . . . . . A 1 LYS HG3 . 36157 1 6 . 1 1 1 1 LYS HD2 H 1 1.984 0.000 . . . . . . A 1 LYS HD2 . 36157 1 7 . 1 1 1 1 LYS HD3 H 1 1.984 0.000 . . . . . . A 1 LYS HD3 . 36157 1 8 . 1 1 1 1 LYS HE2 H 1 3.288 0.000 . . . . . . A 1 LYS HE2 . 36157 1 9 . 1 1 1 1 LYS HE3 H 1 3.288 0.000 . . . . . . A 1 LYS HE3 . 36157 1 10 . 1 1 2 2 LYS H H 1 8.777 0.001 . . . . . . A 2 LYS H . 36157 1 11 . 1 1 2 2 LYS HA H 1 4.609 0.009 . . . . . . A 2 LYS HA . 36157 1 12 . 1 1 2 2 LYS HB2 H 1 2.057 0.000 . . . . . . A 2 LYS HB2 . 36157 1 13 . 1 1 2 2 LYS HB3 H 1 2.008 0.000 . . . . . . A 2 LYS HB3 . 36157 1 14 . 1 1 2 2 LYS HG2 H 1 1.681 0.001 . . . . . . A 2 LYS HG2 . 36157 1 15 . 1 1 2 2 LYS HG3 H 1 1.681 0.001 . . . . . . A 2 LYS HG3 . 36157 1 16 . 1 1 2 2 LYS HD2 H 1 1.925 0.002 . . . . . . A 2 LYS HD2 . 36157 1 17 . 1 1 2 2 LYS HD3 H 1 1.925 0.002 . . . . . . A 2 LYS HD3 . 36157 1 18 . 1 1 2 2 LYS HE2 H 1 3.268 0.000 . . . . . . A 2 LYS HE2 . 36157 1 19 . 1 1 2 2 LYS HE3 H 1 3.268 0.000 . . . . . . A 2 LYS HE3 . 36157 1 20 . 1 1 3 3 LYS H H 1 8.577 0.001 . . . . . . A 3 LYS H . 36157 1 21 . 1 1 3 3 LYS HA H 1 4.611 0.013 . . . . . . A 3 LYS HA . 36157 1 22 . 1 1 3 3 LYS HB2 H 1 2.099 0.031 . . . . . . A 3 LYS HB2 . 36157 1 23 . 1 1 3 3 LYS HB3 H 1 2.007 0.011 . . . . . . A 3 LYS HB3 . 36157 1 24 . 1 1 3 3 LYS HG2 H 1 1.698 0.011 . . . . . . A 3 LYS HG2 . 36157 1 25 . 1 1 3 3 LYS HG3 H 1 1.698 0.011 . . . . . . A 3 LYS HG3 . 36157 1 26 . 1 1 3 3 LYS HD2 H 1 1.942 0.010 . . . . . . A 3 LYS HD2 . 36157 1 27 . 1 1 3 3 LYS HD3 H 1 1.942 0.010 . . . . . . A 3 LYS HD3 . 36157 1 28 . 1 1 3 3 LYS HE2 H 1 3.256 0.012 . . . . . . A 3 LYS HE2 . 36157 1 29 . 1 1 3 3 LYS HE3 H 1 3.256 0.012 . . . . . . A 3 LYS HE3 . 36157 1 30 . 1 1 4 4 SER H H 1 8.418 0.002 . . . . . . A 4 SER H . 36157 1 31 . 1 1 4 4 SER HA H 1 4.758 0.000 . . . . . . A 4 SER HA . 36157 1 32 . 1 1 4 4 SER HB2 H 1 4.114 0.010 . . . . . . A 4 SER HB2 . 36157 1 33 . 1 1 4 4 SER HB3 H 1 4.114 0.010 . . . . . . A 4 SER HB3 . 36157 1 34 . 1 1 5 5 GLY H H 1 8.514 0.001 . . . . . . A 5 GLY H . 36157 1 35 . 1 1 5 5 GLY HA2 H 1 4.284 0.004 . . . . . . A 5 GLY HA2 . 36157 1 36 . 1 1 5 5 GLY HA3 H 1 4.192 0.010 . . . . . . A 5 GLY HA3 . 36157 1 37 . 1 1 6 6 VAL H H 1 8.101 0.003 . . . . . . A 6 VAL H . 36157 1 38 . 1 1 6 6 VAL HA H 1 4.357 0.012 . . . . . . A 6 VAL HA . 36157 1 39 . 1 1 6 6 VAL HB H 1 2.263 0.014 . . . . . . A 6 VAL HB . 36157 1 40 . 1 1 6 6 VAL HG11 H 1 1.135 0.014 . . . . . . A 6 VAL HG11 . 36157 1 41 . 1 1 6 6 VAL HG12 H 1 1.135 0.014 . . . . . . A 6 VAL HG12 . 36157 1 42 . 1 1 6 6 VAL HG13 H 1 1.135 0.014 . . . . . . A 6 VAL HG13 . 36157 1 43 . 1 1 6 6 VAL HG21 H 1 1.135 0.014 . . . . . . A 6 VAL HG21 . 36157 1 44 . 1 1 6 6 VAL HG22 H 1 1.135 0.014 . . . . . . A 6 VAL HG22 . 36157 1 45 . 1 1 6 6 VAL HG23 H 1 1.135 0.014 . . . . . . A 6 VAL HG23 . 36157 1 46 . 1 1 7 7 ILE H H 1 8.301 0.002 . . . . . . A 7 ILE H . 36157 1 47 . 1 1 7 7 ILE HA H 1 4.763 0.005 . . . . . . A 7 ILE HA . 36157 1 48 . 1 1 7 7 ILE HB H 1 2.074 0.016 . . . . . . A 7 ILE HB . 36157 1 49 . 1 1 7 7 ILE HG12 H 1 1.768 0.013 . . . . . . A 7 ILE HG12 . 36157 1 50 . 1 1 7 7 ILE HG13 H 1 1.379 0.013 . . . . . . A 7 ILE HG13 . 36157 1 51 . 1 1 7 7 ILE HG21 H 1 1.152 0.012 . . . . . . A 7 ILE HG21 . 36157 1 52 . 1 1 7 7 ILE HG22 H 1 1.152 0.012 . . . . . . A 7 ILE HG22 . 36157 1 53 . 1 1 7 7 ILE HG23 H 1 1.152 0.012 . . . . . . A 7 ILE HG23 . 36157 1 54 . 1 1 7 7 ILE HD11 H 1 1.098 0.011 . . . . . . A 7 ILE HD11 . 36157 1 55 . 1 1 7 7 ILE HD12 H 1 1.098 0.011 . . . . . . A 7 ILE HD12 . 36157 1 56 . 1 1 7 7 ILE HD13 H 1 1.098 0.011 . . . . . . A 7 ILE HD13 . 36157 1 57 . 1 1 8 8 PRO HA H 1 4.767 0.007 . . . . . . A 8 PRO HA . 36157 1 58 . 1 1 8 8 PRO HB2 H 1 2.380 0.076 . . . . . . A 8 PRO HB2 . 36157 1 59 . 1 1 8 8 PRO HB3 H 1 2.244 0.032 . . . . . . A 8 PRO HB3 . 36157 1 60 . 1 1 8 8 PRO HG2 H 1 2.554 0.012 . . . . . . A 8 PRO HG2 . 36157 1 61 . 1 1 8 8 PRO HG3 H 1 2.160 0.012 . . . . . . A 8 PRO HG3 . 36157 1 62 . 1 1 8 8 PRO HD2 H 1 4.162 0.013 . . . . . . A 8 PRO HD2 . 36157 1 63 . 1 1 8 8 PRO HD3 H 1 3.927 0.012 . . . . . . A 8 PRO HD3 . 36157 1 64 . 1 1 9 9 DBB H H 1 8.131 0.002 . . . . . . A 9 DBB H . 36157 1 65 . 1 1 9 9 DBB HA H 1 4.838 0.012 . . . . . . A 9 DBB HA . 36157 1 66 . 1 1 9 9 DBB HB2 H 1 3.990 0.014 . . . . . . A 9 DBB HB2 . 36157 1 67 . 1 1 9 9 DBB HG1 H 1 1.544 0.012 . . . . . . A 9 DBB HG1 . 36157 1 68 . 1 1 10 10 VAL H H 1 7.951 0.004 . . . . . . A 10 VAL H . 36157 1 69 . 1 1 10 10 VAL HA H 1 4.649 0.016 . . . . . . A 10 VAL HA . 36157 1 70 . 1 1 10 10 VAL HB H 1 2.320 0.015 . . . . . . A 10 VAL HB . 36157 1 71 . 1 1 10 10 VAL HG11 H 1 1.081 0.008 . . . . . . A 10 VAL HG11 . 36157 1 72 . 1 1 10 10 VAL HG12 H 1 1.081 0.008 . . . . . . A 10 VAL HG12 . 36157 1 73 . 1 1 10 10 VAL HG13 H 1 1.081 0.008 . . . . . . A 10 VAL HG13 . 36157 1 74 . 1 1 10 10 VAL HG21 H 1 1.073 0.034 . . . . . . A 10 VAL HG21 . 36157 1 75 . 1 1 10 10 VAL HG22 H 1 1.073 0.034 . . . . . . A 10 VAL HG22 . 36157 1 76 . 1 1 10 10 VAL HG23 H 1 1.073 0.034 . . . . . . A 10 VAL HG23 . 36157 1 77 . 1 1 11 11 DAL H H 1 8.425 0.005 . . . . . . A 11 DAL H . 36157 1 78 . 1 1 11 11 DAL HA H 1 4.876 0.013 . . . . . . A 11 DAL HA . 36157 1 79 . 1 1 11 11 DAL HB1 H 1 3.277 0.005 . . . . . . A 11 DAL HB1 . 36157 1 80 . 1 1 11 11 DAL HB2 H 1 3.202 0.014 . . . . . . A 11 DAL HB2 . 36157 1 81 . 1 1 12 12 HIS H H 1 9.226 0.009 . . . . . . A 12 HIS H . 36157 1 82 . 1 1 12 12 HIS HA H 1 4.715 0.019 . . . . . . A 12 HIS HA . 36157 1 83 . 1 1 12 12 HIS HB2 H 1 3.572 0.015 . . . . . . A 12 HIS HB2 . 36157 1 84 . 1 1 12 12 HIS HB3 H 1 3.572 0.015 . . . . . . A 12 HIS HB3 . 36157 1 85 . 1 1 12 12 HIS HD2 H 1 7.677 0.018 . . . . . . A 12 HIS HD2 . 36157 1 86 . 1 1 12 12 HIS HE1 H 1 8.924 0.021 . . . . . . A 12 HIS HE1 . 36157 1 87 . 1 1 13 13 ASP H H 1 8.846 0.009 . . . . . . A 13 ASP H . 36157 1 88 . 1 1 13 13 ASP HA H 1 4.737 0.002 . . . . . . A 13 ASP HA . 36157 1 89 . 1 1 13 13 ASP HB2 H 1 3.198 0.016 . . . . . . A 13 ASP HB2 . 36157 1 90 . 1 1 13 13 ASP HB3 H 1 3.198 0.016 . . . . . . A 13 ASP HB3 . 36157 1 91 . 1 1 14 14 CYS H H 1 7.494 0.005 . . . . . . A 14 CYS H . 36157 1 92 . 1 1 14 14 CYS HA H 1 4.858 0.019 . . . . . . A 14 CYS HA . 36157 1 93 . 1 1 14 14 CYS HB2 H 1 3.296 0.016 . . . . . . A 14 CYS HB2 . 36157 1 94 . 1 1 14 14 CYS HB3 H 1 2.954 0.016 . . . . . . A 14 CYS HB3 . 36157 1 95 . 1 1 15 15 HIS H H 1 8.413 0.002 . . . . . . A 15 HIS H . 36157 1 96 . 1 1 15 15 HIS HA H 1 4.786 0.012 . . . . . . A 15 HIS HA . 36157 1 97 . 1 1 15 15 HIS HB2 H 1 3.560 0.013 . . . . . . A 15 HIS HB2 . 36157 1 98 . 1 1 15 15 HIS HB3 H 1 3.458 0.019 . . . . . . A 15 HIS HB3 . 36157 1 99 . 1 1 15 15 HIS HD2 H 1 7.549 0.018 . . . . . . A 15 HIS HD2 . 36157 1 100 . 1 1 15 15 HIS HE1 H 1 8.873 0.022 . . . . . . A 15 HIS HE1 . 36157 1 101 . 1 1 16 16 MET H H 1 8.222 0.003 . . . . . . A 16 MET H . 36157 1 102 . 1 1 16 16 MET HA H 1 4.756 0.003 . . . . . . A 16 MET HA . 36157 1 103 . 1 1 16 16 MET HB2 H 1 2.385 0.016 . . . . . . A 16 MET HB2 . 36157 1 104 . 1 1 16 16 MET HB3 H 1 2.239 0.016 . . . . . . A 16 MET HB3 . 36157 1 105 . 1 1 16 16 MET HG2 H 1 2.773 0.101 . . . . . . A 16 MET HG2 . 36157 1 106 . 1 1 16 16 MET HG3 H 1 2.691 0.079 . . . . . . A 16 MET HG3 . 36157 1 107 . 1 1 16 16 MET HE1 H 1 2.284 0.000 . . . . . . A 16 MET HE1 . 36157 1 108 . 1 1 16 16 MET HE2 H 1 2.284 0.000 . . . . . . A 16 MET HE2 . 36157 1 109 . 1 1 16 16 MET HE3 H 1 2.284 0.000 . . . . . . A 16 MET HE3 . 36157 1 110 . 1 1 17 17 ASN H H 1 8.533 0.003 . . . . . . A 17 ASN H . 36157 1 111 . 1 1 17 17 ASN HA H 1 4.924 0.013 . . . . . . A 17 ASN HA . 36157 1 112 . 1 1 17 17 ASN HB2 H 1 3.007 0.013 . . . . . . A 17 ASN HB2 . 36157 1 113 . 1 1 17 17 ASN HB3 H 1 2.809 0.011 . . . . . . A 17 ASN HB3 . 36157 1 114 . 1 1 18 18 DAL H H 1 8.184 0.005 . . . . . . A 18 DAL H . 36157 1 115 . 1 1 18 18 DAL HA H 1 4.660 0.015 . . . . . . A 18 DAL HA . 36157 1 116 . 1 1 18 18 DAL HB1 H 1 3.430 0.017 . . . . . . A 18 DAL HB1 . 36157 1 117 . 1 1 18 18 DAL HB2 H 1 3.116 0.013 . . . . . . A 18 DAL HB2 . 36157 1 118 . 1 1 19 19 PHE H H 1 8.038 0.005 . . . . . . A 19 PHE H . 36157 1 119 . 1 1 19 19 PHE HA H 1 4.765 0.002 . . . . . . A 19 PHE HA . 36157 1 120 . 1 1 19 19 PHE HB2 H 1 3.337 0.018 . . . . . . A 19 PHE HB2 . 36157 1 121 . 1 1 19 19 PHE HB3 H 1 3.290 0.014 . . . . . . A 19 PHE HB3 . 36157 1 122 . 1 1 19 19 PHE HD1 H 1 7.490 0.020 . . . . . . A 19 PHE HD1 . 36157 1 123 . 1 1 19 19 PHE HD2 H 1 7.490 0.020 . . . . . . A 19 PHE HD2 . 36157 1 124 . 1 1 19 19 PHE HE1 H 1 7.572 0.016 . . . . . . A 19 PHE HE1 . 36157 1 125 . 1 1 19 19 PHE HE2 H 1 7.572 0.016 . . . . . . A 19 PHE HE2 . 36157 1 126 . 1 1 19 19 PHE HZ H 1 7.582 0.000 . . . . . . A 19 PHE HZ . 36157 1 127 . 1 1 20 20 GLN H H 1 8.139 0.008 . . . . . . A 20 GLN H . 36157 1 128 . 1 1 20 20 GLN HA H 1 4.498 0.012 . . . . . . A 20 GLN HA . 36157 1 129 . 1 1 20 20 GLN HB2 H 1 2.230 0.015 . . . . . . A 20 GLN HB2 . 36157 1 130 . 1 1 20 20 GLN HB3 H 1 2.144 0.012 . . . . . . A 20 GLN HB3 . 36157 1 131 . 1 1 20 20 GLN HG2 H 1 2.424 0.017 . . . . . . A 20 GLN HG2 . 36157 1 132 . 1 1 20 20 GLN HG3 H 1 2.424 0.017 . . . . . . A 20 GLN HG3 . 36157 1 133 . 1 1 21 21 PHE H H 1 8.109 0.000 . . . . . . A 21 PHE H . 36157 1 134 . 1 1 21 21 PHE HA H 1 4.741 0.016 . . . . . . A 21 PHE HA . 36157 1 135 . 1 1 21 21 PHE HB2 H 1 3.294 0.006 . . . . . . A 21 PHE HB2 . 36157 1 136 . 1 1 21 21 PHE HB3 H 1 3.294 0.006 . . . . . . A 21 PHE HB3 . 36157 1 137 . 1 1 21 21 PHE HD1 H 1 7.453 0.011 . . . . . . A 21 PHE HD1 . 36157 1 138 . 1 1 21 21 PHE HD2 H 1 7.453 0.011 . . . . . . A 21 PHE HD2 . 36157 1 139 . 1 1 21 21 PHE HE1 H 1 7.572 0.012 . . . . . . A 21 PHE HE1 . 36157 1 140 . 1 1 21 21 PHE HE2 H 1 7.572 0.012 . . . . . . A 21 PHE HE2 . 36157 1 141 . 1 1 21 21 PHE HZ H 1 7.567 0.000 . . . . . . A 21 PHE HZ . 36157 1 142 . 1 1 22 22 VAL H H 1 7.895 0.004 . . . . . . A 22 VAL H . 36157 1 143 . 1 1 22 22 VAL HA H 1 4.245 0.011 . . . . . . A 22 VAL HA . 36157 1 144 . 1 1 22 22 VAL HB H 1 2.132 0.016 . . . . . . A 22 VAL HB . 36157 1 145 . 1 1 22 22 VAL HG11 H 1 0.988 0.014 . . . . . . A 22 VAL HG11 . 36157 1 146 . 1 1 22 22 VAL HG12 H 1 0.988 0.014 . . . . . . A 22 VAL HG12 . 36157 1 147 . 1 1 22 22 VAL HG13 H 1 0.988 0.014 . . . . . . A 22 VAL HG13 . 36157 1 148 . 1 1 22 22 VAL HG21 H 1 0.988 0.014 . . . . . . A 22 VAL HG21 . 36157 1 149 . 1 1 22 22 VAL HG22 H 1 0.988 0.014 . . . . . . A 22 VAL HG22 . 36157 1 150 . 1 1 22 22 VAL HG23 H 1 0.988 0.014 . . . . . . A 22 VAL HG23 . 36157 1 151 . 1 1 23 23 PHE H H 1 8.577 0.003 . . . . . . A 23 PHE H . 36157 1 152 . 1 1 23 23 PHE HA H 1 4.751 0.007 . . . . . . A 23 PHE HA . 36157 1 153 . 1 1 23 23 PHE HB2 H 1 3.441 0.014 . . . . . . A 23 PHE HB2 . 36157 1 154 . 1 1 23 23 PHE HB3 H 1 3.441 0.014 . . . . . . A 23 PHE HB3 . 36157 1 155 . 1 1 23 23 PHE HD1 H 1 7.569 0.014 . . . . . . A 23 PHE HD1 . 36157 1 156 . 1 1 23 23 PHE HD2 H 1 7.569 0.014 . . . . . . A 23 PHE HD2 . 36157 1 157 . 1 1 23 23 PHE HE1 H 1 7.592 0.000 . . . . . . A 23 PHE HE1 . 36157 1 158 . 1 1 23 23 PHE HE2 H 1 7.592 0.000 . . . . . . A 23 PHE HE2 . 36157 1 159 . 1 1 23 23 PHE HZ H 1 7.542 0.000 . . . . . . A 23 PHE HZ . 36157 1 160 . 1 1 24 24 DBU H H 1 9.407 0.006 . . . . . . A 24 DBU H . 36157 1 161 . 1 1 24 24 DBU HB H 1 7.013 0.013 . . . . . . A 24 DBU HB . 36157 1 162 . 1 1 24 24 DBU HG1 H 1 1.634 0.014 . . . . . . A 24 DBU HG1 . 36157 1 163 . 1 1 25 25 CYS H H 1 8.086 0.004 . . . . . . A 25 CYS H . 36157 1 164 . 1 1 25 25 CYS HA H 1 4.887 0.009 . . . . . . A 25 CYS HA . 36157 1 165 . 1 1 25 25 CYS HB2 H 1 3.285 0.015 . . . . . . A 25 CYS HB2 . 36157 1 166 . 1 1 25 25 CYS HB3 H 1 3.050 0.000 . . . . . . A 25 CYS HB3 . 36157 1 167 . 1 1 26 26 CYS H H 1 8.530 0.005 . . . . . . A 26 CYS H . 36157 1 168 . 1 1 26 26 CYS HA H 1 4.901 0.010 . . . . . . A 26 CYS HA . 36157 1 169 . 1 1 26 26 CYS HB2 H 1 3.253 0.001 . . . . . . A 26 CYS HB2 . 36157 1 170 . 1 1 26 26 CYS HB3 H 1 3.081 0.013 . . . . . . A 26 CYS HB3 . 36157 1 171 . 1 1 27 27 SER H H 1 8.416 0.001 . . . . . . A 27 SER H . 36157 1 172 . 1 1 27 27 SER HA H 1 4.777 0.000 . . . . . . A 27 SER HA . 36157 1 173 . 1 1 27 27 SER HB2 H 1 4.178 0.008 . . . . . . A 27 SER HB2 . 36157 1 174 . 1 1 27 27 SER HB3 H 1 3.951 0.000 . . . . . . A 27 SER HB3 . 36157 1 stop_ save_