################################### # 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 15992 _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 0.02 _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 "Diference between all chemical shift for it's type." _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 NOESY . . . 15992 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' 1 0 . 15992 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 15992 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 2 2 ALA H H 1 8.621 0.020 . 1 . . . . 2 ALA H . 15992 1 2 . 1 1 2 2 ALA HA H 1 4.358 0.020 . 1 . . . . 2 ALA HA . 15992 1 3 . 1 1 2 2 ALA HB1 H 1 1.405 0.020 . 1 . . . . 2 ALA HB . 15992 1 4 . 1 1 2 2 ALA HB2 H 1 1.405 0.020 . 1 . . . . 2 ALA HB . 15992 1 5 . 1 1 2 2 ALA HB3 H 1 1.405 0.020 . 1 . . . . 2 ALA HB . 15992 1 6 . 1 1 3 3 ALA H H 1 8.472 0.020 . 1 . . . . 3 ALA H . 15992 1 7 . 1 1 3 3 ALA HA H 1 4.359 0.020 . 1 . . . . 3 ALA HA . 15992 1 8 . 1 1 3 3 ALA HB1 H 1 1.402 0.020 . 1 . . . . 3 ALA HB . 15992 1 9 . 1 1 3 3 ALA HB2 H 1 1.402 0.020 . 1 . . . . 3 ALA HB . 15992 1 10 . 1 1 3 3 ALA HB3 H 1 1.402 0.020 . 1 . . . . 3 ALA HB . 15992 1 11 . 1 1 4 4 ILE H H 1 8.912 0.020 . 1 . . . . 4 ILE H . 15992 1 12 . 1 1 4 4 ILE HA H 1 4.212 0.020 . 1 . . . . 4 ILE HA . 15992 1 13 . 1 1 4 4 ILE HB H 1 1.640 0.020 . 1 . . . . 4 ILE HB . 15992 1 14 . 1 1 4 4 ILE HD11 H 1 0.796 0.020 . 1 . . . . 4 ILE HD1 . 15992 1 15 . 1 1 4 4 ILE HD12 H 1 0.796 0.020 . 1 . . . . 4 ILE HD1 . 15992 1 16 . 1 1 4 4 ILE HD13 H 1 0.796 0.020 . 1 . . . . 4 ILE HD1 . 15992 1 17 . 1 1 4 4 ILE HG12 H 1 1.077 0.020 . 2 . . . . 4 ILE HG12 . 15992 1 18 . 1 1 4 4 ILE HG13 H 1 1.615 0.020 . 2 . . . . 4 ILE HG13 . 15992 1 19 . 1 1 4 4 ILE HG21 H 1 0.934 0.020 . 1 . . . . 4 ILE HG2 . 15992 1 20 . 1 1 4 4 ILE HG22 H 1 0.934 0.020 . 1 . . . . 4 ILE HG2 . 15992 1 21 . 1 1 4 4 ILE HG23 H 1 0.934 0.020 . 1 . . . . 4 ILE HG2 . 15992 1 22 . 1 1 5 5 SER H H 1 8.547 0.020 . 1 . . . . 5 SER H . 15992 1 23 . 1 1 5 5 SER HA H 1 4.864 0.020 . 1 . . . . 5 SER HA . 15992 1 24 . 1 1 5 5 SER HB2 H 1 3.934 0.020 . 2 . . . . 5 SER QB . 15992 1 25 . 1 1 5 5 SER HB3 H 1 3.934 0.020 . 2 . . . . 5 SER QB . 15992 1 26 . 1 1 6 6 CYS H H 1 8.064 0.020 . 1 . . . . 6 CYSS H . 15992 1 27 . 1 1 6 6 CYS HA H 1 4.873 0.020 . 1 . . . . 6 CYSS HA . 15992 1 28 . 1 1 6 6 CYS HB2 H 1 3.078 0.020 . 2 . . . . 6 CYSS QB . 15992 1 29 . 1 1 6 6 CYS HB3 H 1 3.078 0.020 . 2 . . . . 6 CYSS QB . 15992 1 30 . 1 1 7 7 VAL H H 1 8.500 0.020 . 1 . . . . 7 VAL H . 15992 1 31 . 1 1 7 7 VAL HA H 1 4.215 0.020 . 1 . . . . 7 VAL HA . 15992 1 32 . 1 1 7 7 VAL HB H 1 2.156 0.020 . 1 . . . . 7 VAL HB . 15992 1 33 . 1 1 7 7 VAL HG11 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 34 . 1 1 7 7 VAL HG12 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 35 . 1 1 7 7 VAL HG13 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 36 . 1 1 7 7 VAL HG21 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 37 . 1 1 7 7 VAL HG22 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 38 . 1 1 7 7 VAL HG23 H 1 0.979 0.020 . 2 . . . . 7 VAL QG . 15992 1 39 . 1 1 8 8 GLY H H 1 7.941 0.020 . 1 . . . . 8 GLY H . 15992 1 40 . 1 1 8 8 GLY HA2 H 1 4.443 0.020 . 2 . . . . 8 GLY HA2 . 15992 1 41 . 1 1 8 8 GLY HA3 H 1 4.075 0.020 . 2 . . . . 8 GLY HA3 . 15992 1 42 . 1 1 9 9 SER H H 1 8.793 0.020 . 1 . . . . 9 SER H . 15992 1 43 . 1 1 9 9 SER HA H 1 4.356 0.020 . 1 . . . . 9 SER HA . 15992 1 44 . 1 1 9 9 SER HB2 H 1 2.602 0.020 . 2 . . . . 9 SER QB . 15992 1 45 . 1 1 9 9 SER HB3 H 1 2.602 0.020 . 2 . . . . 9 SER QB . 15992 1 46 . 1 1 10 10 PRO HA H 1 4.456 0.020 . 1 . . . . 10 PRO HA . 15992 1 47 . 1 1 10 10 PRO HB2 H 1 1.887 0.020 . 2 . . . . 10 PRO HB2 . 15992 1 48 . 1 1 10 10 PRO HB3 H 1 2.433 0.020 . 2 . . . . 10 PRO HB3 . 15992 1 49 . 1 1 10 10 PRO HD2 H 1 3.666 0.020 . 2 . . . . 10 PRO HD2 . 15992 1 50 . 1 1 10 10 PRO HD3 H 1 3.860 0.020 . 2 . . . . 10 PRO HD3 . 15992 1 51 . 1 1 10 10 PRO HG2 H 1 2.013 0.020 . 2 . . . . 10 PRO HG2 . 15992 1 52 . 1 1 10 10 PRO HG3 H 1 2.158 0.020 . 2 . . . . 10 PRO HG3 . 15992 1 53 . 1 1 11 11 GLU H H 1 7.475 0.020 . 1 . . . . 11 GLU H . 15992 1 54 . 1 1 11 11 GLU HA H 1 4.316 0.020 . 1 . . . . 11 GLU HA . 15992 1 55 . 1 1 11 11 GLU HB2 H 1 2.247 0.020 . 2 . . . . 11 GLU HB2 . 15992 1 56 . 1 1 11 11 GLU HB3 H 1 2.153 0.020 . 2 . . . . 11 GLU HB3 . 15992 1 57 . 1 1 11 11 GLU HG2 H 1 2.623 0.020 . 2 . . . . 11 GLU HG2 . 15992 1 58 . 1 1 11 11 GLU HG3 H 1 2.394 0.020 . 2 . . . . 11 GLU HG3 . 15992 1 59 . 1 1 12 12 CYS H H 1 8.423 0.020 . 1 . . . . 12 CYSS H . 15992 1 60 . 1 1 12 12 CYS HA H 1 4.779 0.020 . 1 . . . . 12 CYSS HA . 15992 1 61 . 1 1 12 12 CYS HB2 H 1 2.808 0.020 . 2 . . . . 12 CYSS HB2 . 15992 1 62 . 1 1 12 12 CYS HB3 H 1 2.536 0.020 . 2 . . . . 12 CYSS HB3 . 15992 1 63 . 1 1 13 13 PRO HB2 H 1 2.160 0.020 . 2 . . . . 13 PRO QB . 15992 1 64 . 1 1 13 13 PRO HB3 H 1 2.160 0.020 . 2 . . . . 13 PRO QB . 15992 1 65 . 1 1 13 13 PRO HD2 H 1 4.056 0.020 . 2 . . . . 13 PRO HD2 . 15992 1 66 . 1 1 13 13 PRO HD3 H 1 3.769 0.020 . 2 . . . . 13 PRO HD3 . 15992 1 67 . 1 1 13 13 PRO HG2 H 1 2.436 0.020 . 2 . . . . 13 PRO QG . 15992 1 68 . 1 1 13 13 PRO HG3 H 1 2.436 0.020 . 2 . . . . 13 PRO QG . 15992 1 69 . 1 1 14 14 PRO HA H 1 4.309 0.020 . 1 . . . . 14 PRO HA . 15992 1 70 . 1 1 14 14 PRO HB2 H 1 2.437 0.020 . 2 . . . . 14 PRO HB2 . 15992 1 71 . 1 1 14 14 PRO HB3 H 1 1.972 0.020 . 2 . . . . 14 PRO HB3 . 15992 1 72 . 1 1 14 14 PRO HD2 H 1 3.472 0.020 . 2 . . . . 14 PRO HD2 . 15992 1 73 . 1 1 14 14 PRO HD3 H 1 3.635 0.020 . 2 . . . . 14 PRO HD3 . 15992 1 74 . 1 1 14 14 PRO HG2 H 1 2.209 0.020 . 2 . . . . 14 PRO HG2 . 15992 1 75 . 1 1 14 14 PRO HG3 H 1 2.134 0.020 . 2 . . . . 14 PRO HG3 . 15992 1 76 . 1 1 15 15 LYS H H 1 7.681 0.020 . 1 . . . . 15 LYS H . 15992 1 77 . 1 1 15 15 LYS HA H 1 3.059 0.020 . 1 . . . . 15 LYS HA . 15992 1 78 . 1 1 15 15 LYS HB2 H 1 1.737 0.020 . 2 . . . . 15 LYS QB . 15992 1 79 . 1 1 15 15 LYS HB3 H 1 1.737 0.020 . 2 . . . . 15 LYS QB . 15992 1 80 . 1 1 15 15 LYS HD2 H 1 2.016 0.020 . 2 . . . . 15 LYS HD2 . 15992 1 81 . 1 1 15 15 LYS HD3 H 1 1.952 0.020 . 2 . . . . 15 LYS HD3 . 15992 1 82 . 1 1 15 15 LYS HE2 H 1 4.216 0.020 . 2 . . . . 15 LYS QE . 15992 1 83 . 1 1 15 15 LYS HE3 H 1 4.216 0.020 . 2 . . . . 15 LYS QE . 15992 1 84 . 1 1 15 15 LYS HG2 H 1 1.637 0.020 . 2 . . . . 15 LYS HG2 . 15992 1 85 . 1 1 15 15 LYS HG3 H 1 1.543 0.020 . 2 . . . . 15 LYS HG3 . 15992 1 86 . 1 1 15 15 LYS HZ1 H 1 6.842 0.020 . 2 . . . . 15 LYS QZ . 15992 1 87 . 1 1 15 15 LYS HZ2 H 1 6.842 0.020 . 2 . . . . 15 LYS QZ . 15992 1 88 . 1 1 15 15 LYS HZ3 H 1 6.842 0.020 . 2 . . . . 15 LYS QZ . 15992 1 89 . 1 1 16 16 CYS H H 1 9.607 0.020 . 1 . . . . 16 CYSS H . 15992 1 90 . 1 1 16 16 CYS HA H 1 4.364 0.020 . 1 . . . . 16 CYSS HA . 15992 1 91 . 1 1 16 16 CYS HB2 H 1 3.043 0.020 . 2 . . . . 16 CYSS HB2 . 15992 1 92 . 1 1 16 16 CYS HB3 H 1 2.764 0.020 . 2 . . . . 16 CYSS HB3 . 15992 1 93 . 1 1 17 17 ARG H H 1 8.714 0.020 . 1 . . . . 17 ARG H . 15992 1 94 . 1 1 17 17 ARG HA H 1 4.680 0.020 . 1 . . . . 17 ARG HA . 15992 1 95 . 1 1 17 17 ARG HB2 H 1 1.920 0.020 . 2 . . . . 17 ARG QB . 15992 1 96 . 1 1 17 17 ARG HB3 H 1 1.920 0.020 . 2 . . . . 17 ARG QB . 15992 1 97 . 1 1 17 17 ARG HD2 H 1 3.278 0.020 . 2 . . . . 17 ARG HD2 . 15992 1 98 . 1 1 17 17 ARG HD3 H 1 3.145 0.020 . 2 . . . . 17 ARG HD3 . 15992 1 99 . 1 1 17 17 ARG HE H 1 7.287 0.020 . 1 . . . . 17 ARG HE . 15992 1 100 . 1 1 17 17 ARG HG2 H 1 1.761 0.020 . 2 . . . . 17 ARG QG . 15992 1 101 . 1 1 17 17 ARG HG3 H 1 1.761 0.020 . 2 . . . . 17 ARG QG . 15992 1 102 . 1 1 18 18 ALA H H 1 7.496 0.020 . 1 . . . . 18 ALA H . 15992 1 103 . 1 1 18 18 ALA HA H 1 4.356 0.020 . 1 . . . . 18 ALA HA . 15992 1 104 . 1 1 18 18 ALA HB1 H 1 1.637 0.020 . 1 . . . . 18 ALA HB . 15992 1 105 . 1 1 18 18 ALA HB2 H 1 1.637 0.020 . 1 . . . . 18 ALA HB . 15992 1 106 . 1 1 18 18 ALA HB3 H 1 1.637 0.020 . 1 . . . . 18 ALA HB . 15992 1 107 . 1 1 19 19 GLN H H 1 7.276 0.020 . 1 . . . . 19 GLN H . 15992 1 108 . 1 1 19 19 GLN HA H 1 4.634 0.020 . 1 . . . . 19 GLN HA . 15992 1 109 . 1 1 19 19 GLN HB2 H 1 2.188 0.020 . 2 . . . . 19 GLN QB . 15992 1 110 . 1 1 19 19 GLN HB3 H 1 2.188 0.020 . 2 . . . . 19 GLN QB . 15992 1 111 . 1 1 19 19 GLN HE21 H 1 6.897 0.020 . 2 . . . . 19 GLN HE21 . 15992 1 112 . 1 1 19 19 GLN HE22 H 1 6.740 0.020 . 2 . . . . 19 GLN HE22 . 15992 1 113 . 1 1 19 19 GLN HG2 H 1 2.529 0.020 . 2 . . . . 19 GLN HG2 . 15992 1 114 . 1 1 19 19 GLN HG3 H 1 2.433 0.020 . 2 . . . . 19 GLN HG3 . 15992 1 115 . 1 1 20 20 GLY H H 1 7.906 0.020 . 1 . . . . 20 GLY H . 15992 1 116 . 1 1 20 20 GLY HA2 H 1 4.342 0.020 . 2 . . . . 20 GLY HA2 . 15992 1 117 . 1 1 20 20 GLY HA3 H 1 3.894 0.020 . 2 . . . . 20 GLY HA3 . 15992 1 118 . 1 1 21 21 CYS H H 1 7.892 0.020 . 1 . . . . 21 CYSS H . 15992 1 119 . 1 1 21 21 CYS HA H 1 5.440 0.020 . 1 . . . . 21 CYSS HA . 15992 1 120 . 1 1 21 21 CYS HB2 H 1 3.290 0.020 . 2 . . . . 21 CYSS HB2 . 15992 1 121 . 1 1 21 21 CYS HB3 H 1 2.812 0.020 . 2 . . . . 21 CYSS HB3 . 15992 1 122 . 1 1 22 22 LYS H H 1 8.001 0.020 . 1 . . . . 22 LYS H . 15992 1 123 . 1 1 22 22 LYS HB2 H 1 2.055 0.020 . 2 . . . . 22 LYS HB2 . 15992 1 124 . 1 1 22 22 LYS HB3 H 1 1.967 0.020 . 2 . . . . 22 LYS HB3 . 15992 1 125 . 1 1 22 22 LYS HD2 H 1 1.828 0.020 . 2 . . . . 22 LYS QD . 15992 1 126 . 1 1 22 22 LYS HD3 H 1 1.828 0.020 . 2 . . . . 22 LYS QD . 15992 1 127 . 1 1 22 22 LYS HG2 H 1 1.595 0.020 . 2 . . . . 22 LYS QG . 15992 1 128 . 1 1 22 22 LYS HG3 H 1 1.595 0.020 . 2 . . . . 22 LYS QG . 15992 1 129 . 1 1 22 22 LYS HZ1 H 1 7.615 0.020 . 1 . . . . 22 LYS HZ1 . 15992 1 130 . 1 1 22 22 LYS HZ2 H 1 7.345 0.020 . 1 . . . . 22 LYS HZ2 . 15992 1 131 . 1 1 22 22 LYS HZ3 H 1 7.345 0.020 . 1 . . . . 22 LYS HZ2 . 15992 1 132 . 1 1 23 23 ASN H H 1 7.996 0.020 . 1 . . . . 23 ASN H . 15992 1 133 . 1 1 23 23 ASN HA H 1 4.313 0.020 . 1 . . . . 23 ASN HA . 15992 1 134 . 1 1 23 23 ASN HB2 H 1 2.624 0.020 . 2 . . . . 23 ASN HB2 . 15992 1 135 . 1 1 23 23 ASN HB3 H 1 2.485 0.020 . 2 . . . . 23 ASN HB3 . 15992 1 136 . 1 1 23 23 ASN HD21 H 1 7.620 0.020 . 2 . . . . 23 ASN HD21 . 15992 1 137 . 1 1 23 23 ASN HD22 H 1 6.983 0.020 . 2 . . . . 23 ASN HD22 . 15992 1 138 . 1 1 24 24 GLY H H 1 8.566 0.020 . 1 . . . . 24 GLY H . 15992 1 139 . 1 1 24 24 GLY HA2 H 1 5.014 0.020 . 2 . . . . 24 GLY HA2 . 15992 1 140 . 1 1 24 24 GLY HA3 H 1 4.125 0.020 . 2 . . . . 24 GLY HA3 . 15992 1 141 . 1 1 25 25 LYS H H 1 8.659 0.020 . 1 . . . . 25 LYS H . 15992 1 142 . 1 1 25 25 LYS HA H 1 4.719 0.020 . 1 . . . . 25 LYS HA . 15992 1 143 . 1 1 25 25 LYS HB2 H 1 1.968 0.020 . 2 . . . . 25 LYS HB2 . 15992 1 144 . 1 1 25 25 LYS HB3 H 1 1.883 0.020 . 2 . . . . 25 LYS HB3 . 15992 1 145 . 1 1 25 25 LYS HD2 H 1 1.406 0.020 . 2 . . . . 25 LYS QD . 15992 1 146 . 1 1 25 25 LYS HD3 H 1 1.406 0.020 . 2 . . . . 25 LYS QD . 15992 1 147 . 1 1 25 25 LYS HG2 H 1 1.546 0.020 . 2 . . . . 25 LYS QG . 15992 1 148 . 1 1 25 25 LYS HG3 H 1 1.546 0.020 . 2 . . . . 25 LYS QG . 15992 1 149 . 1 1 26 26 CYS H H 1 9.113 0.020 . 1 . . . . 26 CYSS H . 15992 1 150 . 1 1 26 26 CYS HA H 1 4.869 0.020 . 1 . . . . 26 CYSS HA . 15992 1 151 . 1 1 26 26 CYS HB2 H 1 2.951 0.020 . 2 . . . . 26 CYSS HB2 . 15992 1 152 . 1 1 26 26 CYS HB3 H 1 2.730 0.020 . 2 . . . . 26 CYSS HB3 . 15992 1 153 . 1 1 27 27 MET H H 1 9.117 0.020 . 1 . . . . 27 MET H . 15992 1 154 . 1 1 27 27 MET HA H 1 4.797 0.020 . 1 . . . . 27 MET HA . 15992 1 155 . 1 1 27 27 MET HB2 H 1 2.110 0.020 . 2 . . . . 27 MET HB2 . 15992 1 156 . 1 1 27 27 MET HB3 H 1 1.921 0.020 . 2 . . . . 27 MET HB3 . 15992 1 157 . 1 1 27 27 MET HG2 H 1 2.483 0.020 . 2 . . . . 27 MET QG . 15992 1 158 . 1 1 27 27 MET HG3 H 1 2.483 0.020 . 2 . . . . 27 MET QG . 15992 1 159 . 1 1 28 28 ASN H H 1 9.465 0.020 . 1 . . . . 28 ASN H . 15992 1 160 . 1 1 28 28 ASN HA H 1 4.357 0.020 . 1 . . . . 28 ASN HA . 15992 1 161 . 1 1 28 28 ASN HB2 H 1 3.046 0.020 . 2 . . . . 28 ASN HB2 . 15992 1 162 . 1 1 28 28 ASN HB3 H 1 2.767 0.020 . 2 . . . . 28 ASN HB3 . 15992 1 163 . 1 1 28 28 ASN HD21 H 1 7.649 0.020 . 2 . . . . 28 ASN HD21 . 15992 1 164 . 1 1 28 28 ASN HD22 H 1 6.975 0.020 . 2 . . . . 28 ASN HD22 . 15992 1 165 . 1 1 29 29 ARG H H 1 8.519 0.020 . 1 . . . . 29 ARG H . 15992 1 166 . 1 1 29 29 ARG HA H 1 3.996 0.020 . 1 . . . . 29 ARG HA . 15992 1 167 . 1 1 29 29 ARG HB2 H 1 2.300 0.020 . 2 . . . . 29 ARG HB2 . 15992 1 168 . 1 1 29 29 ARG HB3 H 1 2.206 0.020 . 2 . . . . 29 ARG HB3 . 15992 1 169 . 1 1 29 29 ARG HD2 H 1 3.286 0.020 . 2 . . . . 29 ARG QD . 15992 1 170 . 1 1 29 29 ARG HD3 H 1 3.286 0.020 . 2 . . . . 29 ARG QD . 15992 1 171 . 1 1 29 29 ARG HE H 1 7.211 0.020 . 1 . . . . 29 ARG HE . 15992 1 172 . 1 1 29 29 ARG HG2 H 1 2.998 0.020 . 2 . . . . 29 ARG HG2 . 15992 1 173 . 1 1 29 29 ARG HG3 H 1 1.639 0.020 . 2 . . . . 29 ARG HG3 . 15992 1 174 . 1 1 30 30 LYS H H 1 7.769 0.020 . 1 . . . . 30 LYS H . 15992 1 175 . 1 1 30 30 LYS HA H 1 5.288 0.020 . 1 . . . . 30 LYS HA . 15992 1 176 . 1 1 30 30 LYS HB2 H 1 1.734 0.020 . 2 . . . . 30 LYS QB . 15992 1 177 . 1 1 30 30 LYS HB3 H 1 1.734 0.020 . 2 . . . . 30 LYS QB . 15992 1 178 . 1 1 30 30 LYS HD2 H 1 1.625 0.020 . 2 . . . . 30 LYS HD2 . 15992 1 179 . 1 1 30 30 LYS HD3 H 1 1.625 0.020 . 2 . . . . 30 LYS HD3 . 15992 1 180 . 1 1 30 30 LYS HE2 H 1 3.048 0.020 . 2 . . . . 30 LYS QE . 15992 1 181 . 1 1 30 30 LYS HE3 H 1 3.048 0.020 . 2 . . . . 30 LYS QE . 15992 1 182 . 1 1 30 30 LYS HG2 H 1 1.473 0.020 . 2 . . . . 30 LYS HG2 . 15992 1 183 . 1 1 30 30 LYS HG3 H 1 1.405 0.020 . 2 . . . . 30 LYS HG3 . 15992 1 184 . 1 1 31 31 CYS H H 1 9.044 0.020 . 1 . . . . 31 CYSS H . 15992 1 185 . 1 1 31 31 CYS HA H 1 5.056 0.020 . 1 . . . . 31 CYSS HA . 15992 1 186 . 1 1 31 31 CYS HB2 H 1 2.670 0.020 . 2 . . . . 31 CYSS HB2 . 15992 1 187 . 1 1 31 31 CYS HB3 H 1 2.573 0.020 . 2 . . . . 31 CYSS HB3 . 15992 1 188 . 1 1 32 32 LYS H H 1 9.576 0.020 . 1 . . . . 32 LYS H . 15992 1 189 . 1 1 32 32 LYS HA H 1 4.550 0.020 . 1 . . . . 32 LYS HA . 15992 1 190 . 1 1 32 32 LYS HB2 H 1 1.871 0.020 . 2 . . . . 32 LYS HB2 . 15992 1 191 . 1 1 32 32 LYS HB3 H 1 1.777 0.020 . 2 . . . . 32 LYS HB3 . 15992 1 192 . 1 1 32 32 LYS HD2 H 1 1.700 0.020 . 2 . . . . 32 LYS QD . 15992 1 193 . 1 1 32 32 LYS HD3 H 1 1.700 0.020 . 2 . . . . 32 LYS QD . 15992 1 194 . 1 1 32 32 LYS HE2 H 1 2.949 0.020 . 2 . . . . 32 LYS QE . 15992 1 195 . 1 1 32 32 LYS HE3 H 1 2.949 0.020 . 2 . . . . 32 LYS QE . 15992 1 196 . 1 1 32 32 LYS HG2 H 1 1.269 0.020 . 2 . . . . 32 LYS QG . 15992 1 197 . 1 1 32 32 LYS HG3 H 1 1.269 0.020 . 2 . . . . 32 LYS QG . 15992 1 198 . 1 1 32 32 LYS HZ1 H 1 7.546 0.020 . 1 . . . . 32 LYS QZ . 15992 1 199 . 1 1 32 32 LYS HZ2 H 1 7.546 0.020 . 1 . . . . 32 LYS QZ . 15992 1 200 . 1 1 32 32 LYS HZ3 H 1 7.546 0.020 . 1 . . . . 32 LYS QZ . 15992 1 201 . 1 1 33 33 CYS H H 1 8.713 0.020 . 1 . . . . 33 CYSS H . 15992 1 202 . 1 1 33 33 CYS HA H 1 5.401 0.020 . 1 . . . . 33 CYSS HA . 15992 1 203 . 1 1 33 33 CYS HB2 H 1 2.713 0.020 . 2 . . . . 33 CYSS HB2 . 15992 1 204 . 1 1 33 33 CYS HB3 H 1 3.143 0.020 . 2 . . . . 33 CYSS HB3 . 15992 1 205 . 1 1 34 34 TYR H H 1 8.529 0.020 . 1 . . . . 34 TYR H . 15992 1 206 . 1 1 34 34 TYR HA H 1 4.728 0.020 . 1 . . . . 34 TYR HA . 15992 1 207 . 1 1 34 34 TYR HB2 H 1 2.716 0.020 . 2 . . . . 34 TYR HB2 . 15992 1 208 . 1 1 34 34 TYR HB3 H 1 2.486 0.020 . 2 . . . . 34 TYR HB3 . 15992 1 209 . 1 1 34 34 TYR HD1 H 1 6.792 0.020 . 3 . . . . 34 TYR HD . 15992 1 210 . 1 1 34 34 TYR HD2 H 1 6.792 0.020 . 3 . . . . 34 TYR HD . 15992 1 211 . 1 1 34 34 TYR HE1 H 1 6.587 0.020 . 3 . . . . 34 TYR HE . 15992 1 212 . 1 1 34 34 TYR HE2 H 1 6.587 0.020 . 3 . . . . 34 TYR HE . 15992 1 213 . 1 1 35 35 TYR H H 1 8.920 0.020 . 1 . . . . 35 TYR H . 15992 1 214 . 1 1 35 35 TYR HA H 1 4.360 0.020 . 1 . . . . 35 TYR HA . 15992 1 215 . 1 1 35 35 TYR HB2 H 1 3.246 0.020 . 2 . . . . 35 TYR QB . 15992 1 216 . 1 1 35 35 TYR HB3 H 1 3.246 0.020 . 2 . . . . 35 TYR QB . 15992 1 217 . 1 1 35 35 TYR HD1 H 1 7.141 0.020 . 3 . . . . 35 TYR HD . 15992 1 218 . 1 1 35 35 TYR HD2 H 1 7.141 0.020 . 3 . . . . 35 TYR HD . 15992 1 219 . 1 1 35 35 TYR HE1 H 1 6.945 0.020 . 3 . . . . 35 TYR HE . 15992 1 220 . 1 1 35 35 TYR HE2 H 1 6.945 0.020 . 3 . . . . 35 TYR HE . 15992 1 221 . 1 1 36 36 CYS H H 1 8.719 0.020 . 1 . . . . 36 CYSS H . 15992 1 222 . 1 1 36 36 CYS HA H 1 4.962 0.020 . 1 . . . . 36 CYSS HA . 15992 1 223 . 1 1 36 36 CYS HB2 H 1 3.278 0.020 . 2 . . . . 36 CYSS HB2 . 15992 1 224 . 1 1 36 36 CYS HB3 H 1 2.996 0.020 . 2 . . . . 36 CYSS HB3 . 15992 1 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