################################### # 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 34251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 34251 1 2 '2D 1H-1H NOESY' . . . 34251 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 1 $software_1 . . 34251 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 PHE HA H 1 4.468 0.002 . . . . . . A 1 PHE HA . 34251 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.180 0.002 . . . . . . A 1 PHE HB1 . 34251 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.180 0.002 . . . . . . A 1 PHE HB2 . 34251 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.363 0.000 . . . . . . A 1 PHE HD1 . 34251 1 5 . 1 . 1 1 1 PHE HE1 H 1 7.381 0.000 . . . . . . A 1 PHE HE1 . 34251 1 6 . 1 . 1 2 2 LEU HA H 1 4.647 0.000 . . . . . . A 2 LEU HA . 34251 1 7 . 1 . 1 2 2 LEU HB2 H 1 1.651 0.000 . . . . . . A 2 LEU HB1 . 34251 1 8 . 1 . 1 2 2 LEU HB3 H 1 1.651 0.000 . . . . . . A 2 LEU HB2 . 34251 1 9 . 1 . 1 2 2 LEU HG H 1 1.628 0.000 . . . . . . A 2 LEU HG . 34251 1 10 . 1 . 1 2 2 LEU HD11 H 1 0.934 0.000 . . . . . . A 2 LEU HD11 . 34251 1 11 . 1 . 1 2 2 LEU HD12 H 1 0.934 0.000 . . . . . . A 2 LEU HD12 . 34251 1 12 . 1 . 1 2 2 LEU HD13 H 1 0.934 0.000 . . . . . . A 2 LEU HD13 . 34251 1 13 . 1 . 1 2 2 LEU HD21 H 1 0.934 0.000 . . . . . . A 2 LEU HD21 . 34251 1 14 . 1 . 1 2 2 LEU HD22 H 1 0.934 0.000 . . . . . . A 2 LEU HD22 . 34251 1 15 . 1 . 1 2 2 LEU HD23 H 1 0.934 0.000 . . . . . . A 2 LEU HD23 . 34251 1 16 . 1 . 1 2 2 LEU H H 1 7.854 0.004 . . . . . . A 2 LEU HN . 34251 1 17 . 1 . 1 3 3 PRO HA H 1 4.314 0.004 . . . . . . A 3 PRO HA . 34251 1 18 . 1 . 1 3 3 PRO HB2 H 1 2.056 0.001 . . . . . . A 3 PRO HB1 . 34251 1 19 . 1 . 1 3 3 PRO HB3 H 1 2.334 0.002 . . . . . . A 3 PRO HB2 . 34251 1 20 . 1 . 1 3 3 PRO HG2 H 1 2.174 0.003 . . . . . . A 3 PRO HG1 . 34251 1 21 . 1 . 1 3 3 PRO HG3 H 1 2.174 0.003 . . . . . . A 3 PRO HG2 . 34251 1 22 . 1 . 1 3 3 PRO HD2 H 1 3.772 0.006 . . . . . . A 3 PRO HD1 . 34251 1 23 . 1 . 1 3 3 PRO HD3 H 1 3.968 0.003 . . . . . . A 3 PRO HD2 . 34251 1 24 . 1 . 1 4 4 ILE HA H 1 4.075 0.004 . . . . . . A 4 ILE HA . 34251 1 25 . 1 . 1 4 4 ILE HB H 1 2.092 0.003 . . . . . . A 4 ILE HB . 34251 1 26 . 1 . 1 4 4 ILE HG12 H 1 1.272 0.010 . . . . . . A 4 ILE HG11 . 34251 1 27 . 1 . 1 4 4 ILE HG13 H 1 1.592 0.000 . . . . . . A 4 ILE HG12 . 34251 1 28 . 1 . 1 4 4 ILE HG21 H 1 0.914 0.000 . . . . . . A 4 ILE HG21 . 34251 1 29 . 1 . 1 4 4 ILE HG22 H 1 0.914 0.000 . . . . . . A 4 ILE HG22 . 34251 1 30 . 1 . 1 4 4 ILE HG23 H 1 0.914 0.000 . . . . . . A 4 ILE HG23 . 34251 1 31 . 1 . 1 4 4 ILE H H 1 8.202 0.005 . . . . . . A 4 ILE HN . 34251 1 32 . 1 . 1 5 5 LEU HA H 1 4.077 0.004 . . . . . . A 5 LEU HA . 34251 1 33 . 1 . 1 5 5 LEU HB2 H 1 1.869 0.000 . . . . . . A 5 LEU HB1 . 34251 1 34 . 1 . 1 5 5 LEU HB3 H 1 1.773 0.000 . . . . . . A 5 LEU HB2 . 34251 1 35 . 1 . 1 5 5 LEU HG H 1 1.579 0.000 . . . . . . A 5 LEU HG . 34251 1 36 . 1 . 1 5 5 LEU HD11 H 1 1.033 0.000 . . . . . . A 5 LEU HD11 . 34251 1 37 . 1 . 1 5 5 LEU HD12 H 1 1.033 0.000 . . . . . . A 5 LEU HD12 . 34251 1 38 . 1 . 1 5 5 LEU HD13 H 1 1.033 0.000 . . . . . . A 5 LEU HD13 . 34251 1 39 . 1 . 1 5 5 LEU HD21 H 1 1.033 0.000 . . . . . . A 5 LEU HD21 . 34251 1 40 . 1 . 1 5 5 LEU HD22 H 1 1.033 0.000 . . . . . . A 5 LEU HD22 . 34251 1 41 . 1 . 1 5 5 LEU HD23 H 1 1.033 0.000 . . . . . . A 5 LEU HD23 . 34251 1 42 . 1 . 1 5 5 LEU H H 1 7.550 0.004 . . . . . . A 5 LEU HN . 34251 1 43 . 1 . 1 6 6 ALA HA H 1 4.059 0.004 . . . . . . A 6 ALA HA . 34251 1 44 . 1 . 1 6 6 ALA HB1 H 1 1.530 0.003 . . . . . . A 6 ALA HB1 . 34251 1 45 . 1 . 1 6 6 ALA HB2 H 1 1.530 0.003 . . . . . . A 6 ALA HB2 . 34251 1 46 . 1 . 1 6 6 ALA HB3 H 1 1.530 0.003 . . . . . . A 6 ALA HB3 . 34251 1 47 . 1 . 1 6 6 ALA H H 1 8.140 0.001 . . . . . . A 6 ALA HN . 34251 1 48 . 1 . 1 7 7 SER HA H 1 4.265 0.004 . . . . . . A 7 SER HA . 34251 1 49 . 1 . 1 7 7 SER HB2 H 1 3.998 0.002 . . . . . . A 7 SER HB1 . 34251 1 50 . 1 . 1 7 7 SER HB3 H 1 4.035 0.006 . . . . . . A 7 SER HB2 . 34251 1 51 . 1 . 1 7 7 SER H H 1 7.975 0.005 . . . . . . A 7 SER HN . 34251 1 52 . 1 . 1 8 8 LEU HA H 1 4.200 0.003 . . . . . . A 8 LEU HA . 34251 1 53 . 1 . 1 8 8 LEU HB2 H 1 1.578 0.002 . . . . . . A 8 LEU HB1 . 34251 1 54 . 1 . 1 8 8 LEU HB3 H 1 2.058 0.000 . . . . . . A 8 LEU HB2 . 34251 1 55 . 1 . 1 8 8 LEU HG H 1 2.016 0.000 . . . . . . A 8 LEU HG . 34251 1 56 . 1 . 1 8 8 LEU HD11 H 1 1.009 0.000 . . . . . . A 8 LEU HD11 . 34251 1 57 . 1 . 1 8 8 LEU HD12 H 1 1.009 0.000 . . . . . . A 8 LEU HD12 . 34251 1 58 . 1 . 1 8 8 LEU HD13 H 1 1.009 0.000 . . . . . . A 8 LEU HD13 . 34251 1 59 . 1 . 1 8 8 LEU HD21 H 1 0.946 0.000 . . . . . . A 8 LEU HD21 . 34251 1 60 . 1 . 1 8 8 LEU HD22 H 1 0.946 0.000 . . . . . . A 8 LEU HD22 . 34251 1 61 . 1 . 1 8 8 LEU HD23 H 1 0.946 0.000 . . . . . . A 8 LEU HD23 . 34251 1 62 . 1 . 1 8 8 LEU H H 1 8.175 0.004 . . . . . . A 8 LEU HN . 34251 1 63 . 1 . 1 9 9 ALA HA H 1 3.931 0.004 . . . . . . A 9 ALA HA . 34251 1 64 . 1 . 1 9 9 ALA HB1 H 1 1.509 0.001 . . . . . . A 9 ALA HB1 . 34251 1 65 . 1 . 1 9 9 ALA HB2 H 1 1.509 0.001 . . . . . . A 9 ALA HB2 . 34251 1 66 . 1 . 1 9 9 ALA HB3 H 1 1.509 0.001 . . . . . . A 9 ALA HB3 . 34251 1 67 . 1 . 1 9 9 ALA H H 1 8.605 0.001 . . . . . . A 9 ALA HN . 34251 1 68 . 1 . 1 10 10 ALA HA H 1 4.101 0.006 . . . . . . A 10 ALA HA . 34251 1 69 . 1 . 1 10 10 ALA HB1 H 1 1.498 0.001 . . . . . . A 10 ALA HB1 . 34251 1 70 . 1 . 1 10 10 ALA HB2 H 1 1.498 0.001 . . . . . . A 10 ALA HB2 . 34251 1 71 . 1 . 1 10 10 ALA HB3 H 1 1.498 0.001 . . . . . . A 10 ALA HB3 . 34251 1 72 . 1 . 1 10 10 ALA H H 1 7.849 0.004 . . . . . . A 10 ALA HN . 34251 1 73 . 1 . 1 11 11 LYS HA H 1 4.058 0.002 . . . . . . A 11 LYS HA . 34251 1 74 . 1 . 1 11 11 LYS HB2 H 1 1.401 0.000 . . . . . . A 11 LYS HB1 . 34251 1 75 . 1 . 1 11 11 LYS HB3 H 1 1.654 0.000 . . . . . . A 11 LYS HB2 . 34251 1 76 . 1 . 1 11 11 LYS HG2 H 1 1.391 0.000 . . . . . . A 11 LYS HG1 . 34251 1 77 . 1 . 1 11 11 LYS HG3 H 1 1.391 0.000 . . . . . . A 11 LYS HG2 . 34251 1 78 . 1 . 1 11 11 LYS HD2 H 1 1.527 0.000 . . . . . . A 11 LYS HD1 . 34251 1 79 . 1 . 1 11 11 LYS HD3 H 1 1.527 0.000 . . . . . . A 11 LYS HD2 . 34251 1 80 . 1 . 1 11 11 LYS H H 1 7.535 0.005 . . . . . . A 11 LYS HN . 34251 1 81 . 1 . 1 12 12 PHE HA H 1 4.755 0.009 . . . . . . A 12 PHE HA . 34251 1 82 . 1 . 1 12 12 PHE HB2 H 1 2.863 0.002 . . . . . . A 12 PHE HB1 . 34251 1 83 . 1 . 1 12 12 PHE HB3 H 1 3.242 0.006 . . . . . . A 12 PHE HB2 . 34251 1 84 . 1 . 1 12 12 PHE HE1 H 1 7.201 0.000 . . . . . . A 12 PHE HE1 . 34251 1 85 . 1 . 1 12 12 PHE H H 1 8.375 0.004 . . . . . . A 12 PHE HN . 34251 1 86 . 1 . 1 13 13 GLY HA2 H 1 3.832 0.009 . . . . . . A 13 GLY HA1 . 34251 1 87 . 1 . 1 13 13 GLY HA3 H 1 4.270 0.000 . . . . . . A 13 GLY HA2 . 34251 1 88 . 1 . 1 13 13 GLY H H 1 8.503 0.002 . . . . . . A 13 GLY HN . 34251 1 89 . 1 . 1 14 14 PRO HA H 1 4.265 0.007 . . . . . . A 14 PRO HA . 34251 1 90 . 1 . 1 14 14 PRO HB2 H 1 1.899 0.002 . . . . . . A 14 PRO HB1 . 34251 1 91 . 1 . 1 14 14 PRO HB3 H 1 2.470 0.004 . . . . . . A 14 PRO HB2 . 34251 1 92 . 1 . 1 14 14 PRO HG2 H 1 2.175 0.001 . . . . . . A 14 PRO HG1 . 34251 1 93 . 1 . 1 14 14 PRO HG3 H 1 2.175 0.001 . . . . . . A 14 PRO HG2 . 34251 1 94 . 1 . 1 14 14 PRO HD2 H 1 3.505 0.005 . . . . . . A 14 PRO HD1 . 34251 1 95 . 1 . 1 14 14 PRO HD3 H 1 3.712 0.005 . . . . . . A 14 PRO HD2 . 34251 1 96 . 1 . 1 15 15 LYS HA H 1 4.150 0.002 . . . . . . A 15 LYS HA . 34251 1 97 . 1 . 1 15 15 LYS HB2 H 1 2.005 0.002 . . . . . . A 15 LYS HB1 . 34251 1 98 . 1 . 1 15 15 LYS HB3 H 1 2.076 0.000 . . . . . . A 15 LYS HB2 . 34251 1 99 . 1 . 1 15 15 LYS HG2 H 1 1.585 0.000 . . . . . . A 15 LYS HG1 . 34251 1 100 . 1 . 1 15 15 LYS HG3 H 1 1.585 0.000 . . . . . . A 15 LYS HG2 . 34251 1 101 . 1 . 1 15 15 LYS H H 1 7.172 0.003 . . . . . . A 15 LYS HN . 34251 1 102 . 1 . 1 16 16 LEU HA H 1 4.115 0.005 . . . . . . A 16 LEU HA . 34251 1 103 . 1 . 1 16 16 LEU HB2 H 1 1.790 0.008 . . . . . . A 16 LEU HB1 . 34251 1 104 . 1 . 1 16 16 LEU HB3 H 1 1.790 0.008 . . . . . . A 16 LEU HB2 . 34251 1 105 . 1 . 1 16 16 LEU HG H 1 1.816 0.000 . . . . . . A 16 LEU HG . 34251 1 106 . 1 . 1 16 16 LEU HD11 H 1 0.925 0.000 . . . . . . A 16 LEU HD11 . 34251 1 107 . 1 . 1 16 16 LEU HD12 H 1 0.925 0.000 . . . . . . A 16 LEU HD12 . 34251 1 108 . 1 . 1 16 16 LEU HD13 H 1 0.925 0.000 . . . . . . A 16 LEU HD13 . 34251 1 109 . 1 . 1 16 16 LEU HD21 H 1 0.925 0.000 . . . . . . A 16 LEU HD21 . 34251 1 110 . 1 . 1 16 16 LEU HD22 H 1 0.925 0.000 . . . . . . A 16 LEU HD22 . 34251 1 111 . 1 . 1 16 16 LEU HD23 H 1 0.925 0.000 . . . . . . A 16 LEU HD23 . 34251 1 112 . 1 . 1 16 16 LEU H H 1 8.223 0.005 . . . . . . A 16 LEU HN . 34251 1 113 . 1 . 1 17 17 PHE HA H 1 4.053 0.008 . . . . . . A 17 PHE HA . 34251 1 114 . 1 . 1 17 17 PHE HB2 H 1 3.123 0.002 . . . . . . A 17 PHE HB1 . 34251 1 115 . 1 . 1 17 17 PHE HB3 H 1 3.323 0.005 . . . . . . A 17 PHE HB2 . 34251 1 116 . 1 . 1 17 17 PHE HD1 H 1 7.110 0.004 . . . . . . A 17 PHE HD1 . 34251 1 117 . 1 . 1 17 17 PHE HD2 H 1 7.110 0.004 . . . . . . A 17 PHE HD2 . 34251 1 118 . 1 . 1 17 17 PHE HE1 H 1 7.287 0.000 . . . . . . A 17 PHE HE1 . 34251 1 119 . 1 . 1 17 17 PHE H H 1 8.744 0.001 . . . . . . A 17 PHE HN . 34251 1 120 . 1 . 1 18 18 CYS HA H 1 4.286 0.005 . . . . . . A 18 CYS HA . 34251 1 121 . 1 . 1 18 18 CYS HB2 H 1 3.092 0.013 . . . . . . A 18 CYS HB1 . 34251 1 122 . 1 . 1 18 18 CYS HB3 H 1 3.243 0.005 . . . . . . A 18 CYS HB2 . 34251 1 123 . 1 . 1 18 18 CYS H H 1 8.181 0.006 . . . . . . A 18 CYS HN . 34251 1 124 . 1 . 1 19 19 LEU HA H 1 4.165 0.005 . . . . . . A 19 LEU HA . 34251 1 125 . 1 . 1 19 19 LEU HB2 H 1 1.751 0.000 . . . . . . A 19 LEU HB1 . 34251 1 126 . 1 . 1 19 19 LEU HB3 H 1 1.926 0.002 . . . . . . A 19 LEU HB2 . 34251 1 127 . 1 . 1 19 19 LEU HG H 1 1.760 0.000 . . . . . . A 19 LEU HG . 34251 1 128 . 1 . 1 19 19 LEU HD11 H 1 0.929 0.000 . . . . . . A 19 LEU HD11 . 34251 1 129 . 1 . 1 19 19 LEU HD12 H 1 0.929 0.000 . . . . . . A 19 LEU HD12 . 34251 1 130 . 1 . 1 19 19 LEU HD13 H 1 0.929 0.000 . . . . . . A 19 LEU HD13 . 34251 1 131 . 1 . 1 19 19 LEU HD21 H 1 0.929 0.000 . . . . . . A 19 LEU HD21 . 34251 1 132 . 1 . 1 19 19 LEU HD22 H 1 0.929 0.000 . . . . . . A 19 LEU HD22 . 34251 1 133 . 1 . 1 19 19 LEU HD23 H 1 0.929 0.000 . . . . . . A 19 LEU HD23 . 34251 1 134 . 1 . 1 19 19 LEU H H 1 8.133 0.003 . . . . . . A 19 LEU HN . 34251 1 135 . 1 . 1 20 20 VAL HA H 1 3.853 0.005 . . . . . . A 20 VAL HA . 34251 1 136 . 1 . 1 20 20 VAL HB H 1 2.045 0.000 . . . . . . A 20 VAL HB . 34251 1 137 . 1 . 1 20 20 VAL HG11 H 1 1.044 0.000 . . . . . . A 20 VAL HG11 . 34251 1 138 . 1 . 1 20 20 VAL HG12 H 1 1.044 0.000 . . . . . . A 20 VAL HG12 . 34251 1 139 . 1 . 1 20 20 VAL HG13 H 1 1.044 0.000 . . . . . . A 20 VAL HG13 . 34251 1 140 . 1 . 1 20 20 VAL HG21 H 1 0.917 0.000 . . . . . . A 20 VAL HG21 . 34251 1 141 . 1 . 1 20 20 VAL HG22 H 1 0.917 0.000 . . . . . . A 20 VAL HG22 . 34251 1 142 . 1 . 1 20 20 VAL HG23 H 1 0.917 0.000 . . . . . . A 20 VAL HG23 . 34251 1 143 . 1 . 1 20 20 VAL H H 1 8.008 0.005 . . . . . . A 20 VAL HN . 34251 1 144 . 1 . 1 21 21 THR HA H 1 4.160 0.000 . . . . . . A 21 THR HA . 34251 1 145 . 1 . 1 21 21 THR HB H 1 3.975 0.000 . . . . . . A 21 THR HB . 34251 1 146 . 1 . 1 21 21 THR HG21 H 1 0.846 0.000 . . . . . . A 21 THR HG21 . 34251 1 147 . 1 . 1 21 21 THR HG22 H 1 0.846 0.000 . . . . . . A 21 THR HG22 . 34251 1 148 . 1 . 1 21 21 THR HG23 H 1 0.846 0.000 . . . . . . A 21 THR HG23 . 34251 1 149 . 1 . 1 21 21 THR H H 1 7.732 0.003 . . . . . . A 21 THR HN . 34251 1 150 . 1 . 1 22 22 LYS HA H 1 4.226 0.000 . . . . . . A 22 LYS HA . 34251 1 151 . 1 . 1 22 22 LYS HB2 H 1 2.087 0.006 . . . . . . A 22 LYS HB1 . 34251 1 152 . 1 . 1 22 22 LYS HB3 H 1 2.087 0.006 . . . . . . A 22 LYS HB2 . 34251 1 153 . 1 . 1 22 22 LYS HG2 H 1 1.376 0.000 . . . . . . A 22 LYS HG1 . 34251 1 154 . 1 . 1 22 22 LYS HG3 H 1 1.376 0.000 . . . . . . A 22 LYS HG2 . 34251 1 155 . 1 . 1 22 22 LYS H H 1 7.887 0.001 . . . . . . A 22 LYS HN . 34251 1 156 . 1 . 1 23 23 LYS HA H 1 4.357 0.000 . . . . . . A 23 LYS HA . 34251 1 157 . 1 . 1 23 23 LYS HB2 H 1 1.647 0.000 . . . . . . A 23 LYS HB1 . 34251 1 158 . 1 . 1 23 23 LYS HB3 H 1 1.996 0.003 . . . . . . A 23 LYS HB2 . 34251 1 159 . 1 . 1 23 23 LYS HG2 H 1 1.378 0.000 . . . . . . A 23 LYS HG1 . 34251 1 160 . 1 . 1 23 23 LYS HG3 H 1 1.378 0.000 . . . . . . A 23 LYS HG2 . 34251 1 161 . 1 . 1 23 23 LYS HD2 H 1 1.627 0.000 . . . . . . A 23 LYS HD1 . 34251 1 162 . 1 . 1 23 23 LYS HD3 H 1 1.627 0.000 . . . . . . A 23 LYS HD2 . 34251 1 163 . 1 . 1 23 23 LYS H H 1 7.611 0.003 . . . . . . A 23 LYS HN . 34251 1 164 . 1 . 1 24 24 CYS HA H 1 4.401 0.001 . . . . . . A 24 CYS HA . 34251 1 165 . 1 . 1 24 24 CYS HB2 H 1 3.374 0.004 . . . . . . A 24 CYS HB1 . 34251 1 166 . 1 . 1 24 24 CYS HB3 H 1 3.463 0.005 . . . . . . A 24 CYS HB2 . 34251 1 167 . 1 . 1 24 24 CYS H H 1 7.828 0.003 . . . . . . A 24 CYS HN . 34251 1 stop_ save_