################################### # 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 34388 _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' . . . 34388 1 2 '2D 1H-1H NOESY' . . . 34388 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 4.223 0.003 . . . . . . A 1 PHE HA . 34388 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.205 0.000 . . . . . . A 1 PHE HB2 . 34388 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.205 0.000 . . . . . . A 1 PHE HB3 . 34388 1 4 . 1 . 1 2 2 LEU H H 1 7.939 0.003 . . . . . . A 2 LEU H . 34388 1 5 . 1 . 1 2 2 LEU HA H 1 4.653 0.003 . . . . . . A 2 LEU HA . 34388 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.624 0.004 . . . . . . A 2 LEU HB2 . 34388 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.624 0.004 . . . . . . A 2 LEU HB3 . 34388 1 8 . 1 . 1 2 2 LEU HG H 1 1.593 0.008 . . . . . . A 2 LEU HG . 34388 1 9 . 1 . 1 2 2 LEU HD11 H 1 0.965 0.005 . . . . . . A 2 LEU HD11 . 34388 1 10 . 1 . 1 2 2 LEU HD12 H 1 0.965 0.005 . . . . . . A 2 LEU HD12 . 34388 1 11 . 1 . 1 2 2 LEU HD13 H 1 0.965 0.005 . . . . . . A 2 LEU HD13 . 34388 1 12 . 1 . 1 2 2 LEU HD21 H 1 0.965 0.005 . . . . . . A 2 LEU HD21 . 34388 1 13 . 1 . 1 2 2 LEU HD22 H 1 0.965 0.005 . . . . . . A 2 LEU HD22 . 34388 1 14 . 1 . 1 2 2 LEU HD23 H 1 0.965 0.005 . . . . . . A 2 LEU HD23 . 34388 1 15 . 1 . 1 3 3 PRO HA H 1 4.415 0.008 . . . . . . A 3 PRO HA . 34388 1 16 . 1 . 1 3 3 PRO HB2 H 1 2.050 0.004 . . . . . . A 3 PRO HB2 . 34388 1 17 . 1 . 1 3 3 PRO HB3 H 1 2.359 0.003 . . . . . . A 3 PRO HB3 . 34388 1 18 . 1 . 1 3 3 PRO HG2 H 1 2.359 0.000 . . . . . . A 3 PRO HG2 . 34388 1 19 . 1 . 1 3 3 PRO HG3 H 1 2.359 0.000 . . . . . . A 3 PRO HG3 . 34388 1 20 . 1 . 1 3 3 PRO HD2 H 1 3.459 0.009 . . . . . . A 3 PRO HD2 . 34388 1 21 . 1 . 1 3 3 PRO HD3 H 1 3.767 0.006 . . . . . . A 3 PRO HD3 . 34388 1 22 . 1 . 1 4 4 ILE H H 1 7.539 0.003 . . . . . . A 4 ILE H . 34388 1 23 . 1 . 1 4 4 ILE HA H 1 4.021 0.003 . . . . . . A 4 ILE HA . 34388 1 24 . 1 . 1 4 4 ILE HB H 1 1.965 0.006 . . . . . . A 4 ILE HB . 34388 1 25 . 1 . 1 4 4 ILE HG12 H 1 1.302 0.003 . . . . . . A 4 ILE HG12 . 34388 1 26 . 1 . 1 4 4 ILE HG13 H 1 1.606 0.005 . . . . . . A 4 ILE HG13 . 34388 1 27 . 1 . 1 4 4 ILE HG21 H 1 0.985 0.004 . . . . . . A 4 ILE HG21 . 34388 1 28 . 1 . 1 4 4 ILE HG22 H 1 0.985 0.004 . . . . . . A 4 ILE HG22 . 34388 1 29 . 1 . 1 4 4 ILE HG23 H 1 0.985 0.004 . . . . . . A 4 ILE HG23 . 34388 1 30 . 1 . 1 4 4 ILE HD11 H 1 0.897 0.001 . . . . . . A 4 ILE HD11 . 34388 1 31 . 1 . 1 4 4 ILE HD12 H 1 0.897 0.001 . . . . . . A 4 ILE HD12 . 34388 1 32 . 1 . 1 4 4 ILE HD13 H 1 0.897 0.001 . . . . . . A 4 ILE HD13 . 34388 1 33 . 1 . 1 5 5 LEU H H 1 7.547 0.002 . . . . . . A 5 LEU H . 34388 1 34 . 1 . 1 5 5 LEU HA H 1 4.167 0.006 . . . . . . A 5 LEU HA . 34388 1 35 . 1 . 1 5 5 LEU HB3 H 1 1.738 0.007 . . . . . . A 5 LEU HB3 . 34388 1 36 . 1 . 1 5 5 LEU HG H 1 1.725 0.001 . . . . . . A 5 LEU HG . 34388 1 37 . 1 . 1 5 5 LEU HD11 H 1 1.002 0.003 . . . . . . A 5 LEU HD11 . 34388 1 38 . 1 . 1 5 5 LEU HD12 H 1 1.002 0.003 . . . . . . A 5 LEU HD12 . 34388 1 39 . 1 . 1 5 5 LEU HD13 H 1 1.002 0.003 . . . . . . A 5 LEU HD13 . 34388 1 40 . 1 . 1 5 5 LEU HD21 H 1 0.938 0.011 . . . . . . A 5 LEU HD21 . 34388 1 41 . 1 . 1 5 5 LEU HD22 H 1 0.938 0.011 . . . . . . A 5 LEU HD22 . 34388 1 42 . 1 . 1 5 5 LEU HD23 H 1 0.938 0.011 . . . . . . A 5 LEU HD23 . 34388 1 43 . 1 . 1 6 6 ALA H H 1 7.914 0.002 . . . . . . A 6 ALA H . 34388 1 44 . 1 . 1 6 6 ALA HA H 1 4.113 0.005 . . . . . . A 6 ALA HA . 34388 1 45 . 1 . 1 6 6 ALA HB1 H 1 1.518 0.005 . . . . . . A 6 ALA HB1 . 34388 1 46 . 1 . 1 6 6 ALA HB2 H 1 1.518 0.005 . . . . . . A 6 ALA HB2 . 34388 1 47 . 1 . 1 6 6 ALA HB3 H 1 1.518 0.005 . . . . . . A 6 ALA HB3 . 34388 1 48 . 1 . 1 7 7 SER H H 1 7.809 0.003 . . . . . . A 7 SER H . 34388 1 49 . 1 . 1 7 7 SER HA H 1 4.273 0.006 . . . . . . A 7 SER HA . 34388 1 50 . 1 . 1 7 7 SER HB2 H 1 3.992 0.004 . . . . . . A 7 SER HB2 . 34388 1 51 . 1 . 1 7 7 SER HB3 H 1 4.117 0.007 . . . . . . A 7 SER HB3 . 34388 1 52 . 1 . 1 8 8 LEU H H 1 8.084 0.003 . . . . . . A 8 LEU H . 34388 1 53 . 1 . 1 8 8 LEU HA H 1 4.244 0.007 . . . . . . A 8 LEU HA . 34388 1 54 . 1 . 1 8 8 LEU HB2 H 1 1.933 0.003 . . . . . . A 8 LEU HB2 . 34388 1 55 . 1 . 1 8 8 LEU HB3 H 1 2.054 0.002 . . . . . . A 8 LEU HB3 . 34388 1 56 . 1 . 1 8 8 LEU HG H 1 1.617 0.002 . . . . . . A 8 LEU HG . 34388 1 57 . 1 . 1 8 8 LEU HD11 H 1 0.958 0.005 . . . . . . A 8 LEU HD11 . 34388 1 58 . 1 . 1 8 8 LEU HD12 H 1 0.958 0.005 . . . . . . A 8 LEU HD12 . 34388 1 59 . 1 . 1 8 8 LEU HD13 H 1 0.958 0.005 . . . . . . A 8 LEU HD13 . 34388 1 60 . 1 . 1 9 9 ALA H H 1 8.526 0.003 . . . . . . A 9 ALA H . 34388 1 61 . 1 . 1 9 9 ALA HA H 1 4.015 0.002 . . . . . . A 9 ALA HA . 34388 1 62 . 1 . 1 9 9 ALA HB1 H 1 1.432 0.003 . . . . . . A 9 ALA HB1 . 34388 1 63 . 1 . 1 9 9 ALA HB2 H 1 1.432 0.003 . . . . . . A 9 ALA HB2 . 34388 1 64 . 1 . 1 9 9 ALA HB3 H 1 1.432 0.003 . . . . . . A 9 ALA HB3 . 34388 1 65 . 1 . 1 10 10 ALA H H 1 7.877 0.002 . . . . . . A 10 ALA H . 34388 1 66 . 1 . 1 10 10 ALA HA H 1 4.141 0.006 . . . . . . A 10 ALA HA . 34388 1 67 . 1 . 1 10 10 ALA HB1 H 1 1.543 0.005 . . . . . . A 10 ALA HB1 . 34388 1 68 . 1 . 1 10 10 ALA HB2 H 1 1.543 0.005 . . . . . . A 10 ALA HB2 . 34388 1 69 . 1 . 1 10 10 ALA HB3 H 1 1.543 0.005 . . . . . . A 10 ALA HB3 . 34388 1 70 . 1 . 1 11 11 LYS H H 1 7.617 0.002 . . . . . . A 11 LYS H . 34388 1 71 . 1 . 1 11 11 LYS HA H 1 4.149 0.004 . . . . . . A 11 LYS HA . 34388 1 72 . 1 . 1 11 11 LYS HB2 H 1 1.530 0.004 . . . . . . A 11 LYS HB2 . 34388 1 73 . 1 . 1 11 11 LYS HB3 H 1 1.719 0.004 . . . . . . A 11 LYS HB3 . 34388 1 74 . 1 . 1 11 11 LYS HG2 H 1 0.996 0.001 . . . . . . A 11 LYS HG2 . 34388 1 75 . 1 . 1 11 11 LYS HG3 H 1 1.186 0.010 . . . . . . A 11 LYS HG3 . 34388 1 76 . 1 . 1 12 12 PHE H H 1 8.426 0.003 . . . . . . A 12 PHE H . 34388 1 77 . 1 . 1 12 12 PHE HA H 1 4.745 0.001 . . . . . . A 12 PHE HA . 34388 1 78 . 1 . 1 12 12 PHE HB2 H 1 3.005 0.001 . . . . . . A 12 PHE HB2 . 34388 1 79 . 1 . 1 12 12 PHE HB3 H 1 3.271 0.002 . . . . . . A 12 PHE HB3 . 34388 1 80 . 1 . 1 12 12 PHE HD1 H 1 7.339 0.003 . . . . . . A 12 PHE HD1 . 34388 1 81 . 1 . 1 12 12 PHE HD2 H 1 7.339 0.003 . . . . . . A 12 PHE HD2 . 34388 1 82 . 1 . 1 13 13 GLY H H 1 8.325 0.004 . . . . . . A 13 GLY H . 34388 1 83 . 1 . 1 13 13 GLY HA2 H 1 4.002 0.008 . . . . . . A 13 GLY HA2 . 34388 1 84 . 1 . 1 13 13 GLY HA3 H 1 4.364 0.002 . . . . . . A 13 GLY HA3 . 34388 1 85 . 1 . 1 14 14 PRO HA H 1 4.390 0.004 . . . . . . A 14 PRO HA . 34388 1 86 . 1 . 1 14 14 PRO HB2 H 1 2.136 0.002 . . . . . . A 14 PRO HB2 . 34388 1 87 . 1 . 1 14 14 PRO HB3 H 1 2.430 0.003 . . . . . . A 14 PRO HB3 . 34388 1 88 . 1 . 1 14 14 PRO HG2 H 1 2.040 0.013 . . . . . . A 14 PRO HG2 . 34388 1 89 . 1 . 1 14 14 PRO HG3 H 1 2.040 0.013 . . . . . . A 14 PRO HG3 . 34388 1 90 . 1 . 1 14 14 PRO HD2 H 1 3.743 0.003 . . . . . . A 14 PRO HD2 . 34388 1 91 . 1 . 1 14 14 PRO HD3 H 1 3.846 0.004 . . . . . . A 14 PRO HD3 . 34388 1 92 . 1 . 1 15 15 LYS H H 1 7.816 0.002 . . . . . . A 15 LYS H . 34388 1 93 . 1 . 1 15 15 LYS HA H 1 4.124 0.005 . . . . . . A 15 LYS HA . 34388 1 94 . 1 . 1 15 15 LYS HB2 H 1 2.005 0.004 . . . . . . A 15 LYS HB2 . 34388 1 95 . 1 . 1 15 15 LYS HB3 H 1 1.962 0.004 . . . . . . A 15 LYS HB3 . 34388 1 96 . 1 . 1 15 15 LYS HG2 H 1 1.508 0.001 . . . . . . A 15 LYS HG2 . 34388 1 97 . 1 . 1 15 15 LYS HG3 H 1 1.602 0.003 . . . . . . A 15 LYS HG3 . 34388 1 98 . 1 . 1 15 15 LYS HD2 H 1 1.785 0.001 . . . . . . A 15 LYS HD2 . 34388 1 99 . 1 . 1 15 15 LYS HD3 H 1 1.785 0.001 . . . . . . A 15 LYS HD3 . 34388 1 100 . 1 . 1 15 15 LYS HE2 H 1 3.025 0.002 . . . . . . A 15 LYS HE2 . 34388 1 101 . 1 . 1 15 15 LYS HE3 H 1 3.025 0.002 . . . . . . A 15 LYS HE3 . 34388 1 102 . 1 . 1 16 16 LEU H H 1 7.910 0.013 . . . . . . A 16 LEU H . 34388 1 103 . 1 . 1 16 16 LEU HA H 1 4.101 0.003 . . . . . . A 16 LEU HA . 34388 1 104 . 1 . 1 16 16 LEU HB2 H 1 1.655 0.027 . . . . . . A 16 LEU HB2 . 34388 1 105 . 1 . 1 16 16 LEU HB3 H 1 1.722 0.004 . . . . . . A 16 LEU HB3 . 34388 1 106 . 1 . 1 16 16 LEU HG H 1 1.512 0.003 . . . . . . A 16 LEU HG . 34388 1 107 . 1 . 1 17 17 PHE H H 1 7.866 0.002 . . . . . . A 17 PHE H . 34388 1 108 . 1 . 1 17 17 PHE HA H 1 4.219 0.004 . . . . . . A 17 PHE HA . 34388 1 109 . 1 . 1 17 17 PHE HB2 H 1 3.180 0.004 . . . . . . A 17 PHE HB2 . 34388 1 110 . 1 . 1 17 17 PHE HB3 H 1 3.180 0.004 . . . . . . A 17 PHE HB3 . 34388 1 111 . 1 . 1 17 17 PHE HD1 H 1 7.199 0.002 . . . . . . A 17 PHE HD1 . 34388 1 112 . 1 . 1 17 17 PHE HD2 H 1 7.199 0.002 . . . . . . A 17 PHE HD2 . 34388 1 113 . 1 . 1 17 17 PHE HE1 H 1 7.304 0.000 . . . . . . A 17 PHE HE1 . 34388 1 114 . 1 . 1 17 17 PHE HE2 H 1 7.304 0.000 . . . . . . A 17 PHE HE2 . 34388 1 115 . 1 . 1 18 18 ABA H H 1 8.016 0.003 . . . . . . A 18 ABA H . 34388 1 116 . 1 . 1 18 18 ABA HA H 1 3.690 0.004 . . . . . . A 18 ABA HA . 34388 1 117 . 1 . 1 18 18 ABA HB2 H 1 2.837 0.003 . . . . . . A 18 ABA HB2 . 34388 1 118 . 1 . 1 18 18 ABA HB3 H 1 2.686 0.004 . . . . . . A 18 ABA HB3 . 34388 1 119 . 1 . 1 18 18 ABA HG3 H 1 5.354 0.002 . . . . . . A 18 ABA HG3 . 34388 1 120 . 1 . 1 19 19 LEU H H 1 7.632 0.002 . . . . . . A 19 LEU H . 34388 1 121 . 1 . 1 19 19 LEU HA H 1 4.292 0.003 . . . . . . A 19 LEU HA . 34388 1 122 . 1 . 1 19 19 LEU HB2 H 1 1.574 0.000 . . . . . . A 19 LEU HB2 . 34388 1 123 . 1 . 1 19 19 LEU HB3 H 1 1.967 0.003 . . . . . . A 19 LEU HB3 . 34388 1 124 . 1 . 1 19 19 LEU HG H 1 1.837 0.002 . . . . . . A 19 LEU HG . 34388 1 125 . 1 . 1 19 19 LEU HD11 H 1 0.975 0.004 . . . . . . A 19 LEU HD11 . 34388 1 126 . 1 . 1 19 19 LEU HD12 H 1 0.975 0.004 . . . . . . A 19 LEU HD12 . 34388 1 127 . 1 . 1 19 19 LEU HD13 H 1 0.975 0.004 . . . . . . A 19 LEU HD13 . 34388 1 128 . 1 . 1 19 19 LEU HD21 H 1 0.835 0.003 . . . . . . A 19 LEU HD21 . 34388 1 129 . 1 . 1 19 19 LEU HD22 H 1 0.835 0.003 . . . . . . A 19 LEU HD22 . 34388 1 130 . 1 . 1 19 19 LEU HD23 H 1 0.835 0.003 . . . . . . A 19 LEU HD23 . 34388 1 131 . 1 . 1 20 20 VAL H H 1 8.708 0.004 . . . . . . A 20 VAL H . 34388 1 132 . 1 . 1 20 20 VAL HA H 1 3.809 0.002 . . . . . . A 20 VAL HA . 34388 1 133 . 1 . 1 20 20 VAL HB H 1 2.126 0.005 . . . . . . A 20 VAL HB . 34388 1 134 . 1 . 1 20 20 VAL HG11 H 1 1.058 0.002 . . . . . . A 20 VAL HG11 . 34388 1 135 . 1 . 1 20 20 VAL HG12 H 1 1.058 0.002 . . . . . . A 20 VAL HG12 . 34388 1 136 . 1 . 1 20 20 VAL HG13 H 1 1.058 0.002 . . . . . . A 20 VAL HG13 . 34388 1 137 . 1 . 1 20 20 VAL HG21 H 1 0.979 0.003 . . . . . . A 20 VAL HG21 . 34388 1 138 . 1 . 1 20 20 VAL HG22 H 1 0.979 0.003 . . . . . . A 20 VAL HG22 . 34388 1 139 . 1 . 1 20 20 VAL HG23 H 1 0.979 0.003 . . . . . . A 20 VAL HG23 . 34388 1 140 . 1 . 1 21 21 THR H H 1 7.625 0.003 . . . . . . A 21 THR H . 34388 1 141 . 1 . 1 21 21 THR HA H 1 4.161 0.008 . . . . . . A 21 THR HA . 34388 1 142 . 1 . 1 21 21 THR HB H 1 4.045 0.008 . . . . . . A 21 THR HB . 34388 1 143 . 1 . 1 22 22 LYS H H 1 7.736 0.002 . . . . . . A 22 LYS H . 34388 1 144 . 1 . 1 22 22 LYS HA H 1 4.043 0.004 . . . . . . A 22 LYS HA . 34388 1 145 . 1 . 1 22 22 LYS HB2 H 1 2.079 0.002 . . . . . . A 22 LYS HB2 . 34388 1 146 . 1 . 1 22 22 LYS HB3 H 1 2.194 0.007 . . . . . . A 22 LYS HB3 . 34388 1 147 . 1 . 1 22 22 LYS HG2 H 1 1.449 0.001 . . . . . . A 22 LYS HG2 . 34388 1 148 . 1 . 1 22 22 LYS HG3 H 1 1.449 0.001 . . . . . . A 22 LYS HG3 . 34388 1 149 . 1 . 1 22 22 LYS HD2 H 1 1.722 0.000 . . . . . . A 22 LYS HD2 . 34388 1 150 . 1 . 1 22 22 LYS HD3 H 1 1.804 0.003 . . . . . . A 22 LYS HD3 . 34388 1 151 . 1 . 1 22 22 LYS HE2 H 1 3.077 0.001 . . . . . . A 22 LYS HE2 . 34388 1 152 . 1 . 1 22 22 LYS HE3 H 1 3.077 0.001 . . . . . . A 22 LYS HE3 . 34388 1 153 . 1 . 1 23 23 LYS H H 1 8.122 0.002 . . . . . . A 23 LYS H . 34388 1 154 . 1 . 1 23 23 LYS HA H 1 4.296 0.006 . . . . . . A 23 LYS HA . 34388 1 155 . 1 . 1 23 23 LYS HB2 H 1 1.938 0.000 . . . . . . A 23 LYS HB2 . 34388 1 156 . 1 . 1 23 23 LYS HB3 H 1 1.952 0.005 . . . . . . A 23 LYS HB3 . 34388 1 157 . 1 . 1 23 23 LYS HG2 H 1 1.516 0.009 . . . . . . A 23 LYS HG2 . 34388 1 158 . 1 . 1 23 23 LYS HG3 H 1 1.516 0.009 . . . . . . A 23 LYS HG3 . 34388 1 159 . 1 . 1 23 23 LYS HD3 H 1 1.730 0.007 . . . . . . A 23 LYS HD3 . 34388 1 160 . 1 . 1 23 23 LYS HE2 H 1 3.019 0.005 . . . . . . A 23 LYS HE2 . 34388 1 161 . 1 . 1 23 23 LYS HE3 H 1 3.089 0.006 . . . . . . A 23 LYS HE3 . 34388 1 162 . 1 . 1 24 24 ABA H H 1 7.402 0.003 . . . . . . A 24 ABA H . 34388 1 163 . 1 . 1 24 24 ABA HA H 1 4.493 0.002 . . . . . . A 24 ABA HA . 34388 1 164 . 1 . 1 24 24 ABA HB2 H 1 2.507 0.002 . . . . . . A 24 ABA HB . 34388 1 165 . 1 . 1 24 24 ABA HB3 H 1 2.507 0.002 . . . . . . A 24 ABA HB . 34388 1 166 . 1 . 1 24 24 ABA HG3 H 1 5.353 0.002 . . . . . . A 24 ABA HG3 . 34388 1 stop_ save_