################################### # 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 18408 _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 . _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 NOESY' . . . 18408 1 2 '2D 1H-1H TOCSY' . . . 18408 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 1 1 LYS HA H 1 4.122 0.000 . 1 . . . A 1 LYS HA . 18408 1 2 . 1 1 1 1 LYS HB2 H 1 2.011 0.000 . 2 . . . A 1 LYS QB . 18408 1 3 . 1 1 1 1 LYS HB3 H 1 2.011 0.000 . 2 . . . A 1 LYS QB . 18408 1 4 . 1 1 1 1 LYS HG2 H 1 1.536 0.000 . 2 . . . A 1 LYS QG . 18408 1 5 . 1 1 1 1 LYS HG3 H 1 1.536 0.000 . 2 . . . A 1 LYS QG . 18408 1 6 . 1 1 1 1 LYS HD2 H 1 1.801 0.000 . 2 . . . A 1 LYS QD . 18408 1 7 . 1 1 1 1 LYS HD3 H 1 1.801 0.000 . 2 . . . A 1 LYS QD . 18408 1 8 . 1 1 1 1 LYS HE2 H 1 3.101 0.000 . 2 . . . A 1 LYS QE . 18408 1 9 . 1 1 1 1 LYS HE3 H 1 3.101 0.000 . 2 . . . A 1 LYS QE . 18408 1 10 . 1 1 2 2 ASN H H 1 8.843 0.001 . 1 . . . A 2 ASN HN . 18408 1 11 . 1 1 2 2 ASN HA H 1 4.994 0.001 . 1 . . . A 2 ASN HA . 18408 1 12 . 1 1 2 2 ASN HB2 H 1 3.005 0.000 . 2 . . . A 2 ASN HB2 . 18408 1 13 . 1 1 2 2 ASN HB3 H 1 2.885 0.001 . 2 . . . A 2 ASN HB3 . 18408 1 14 . 1 1 2 2 ASN HD21 H 1 7.480 0.000 . 2 . . . A 2 ASN HD21 . 18408 1 15 . 1 1 2 2 ASN HD22 H 1 6.708 0.000 . 2 . . . A 2 ASN HD22 . 18408 1 16 . 1 1 3 3 THR H H 1 8.202 0.001 . 1 . . . A 3 THR HN . 18408 1 17 . 1 1 3 3 THR HA H 1 4.405 0.001 . 1 . . . A 3 THR HA . 18408 1 18 . 1 1 3 3 THR HG21 H 1 1.299 0.001 . 1 . . . A 3 THR QG2 . 18408 1 19 . 1 1 3 3 THR HG22 H 1 1.299 0.001 . 1 . . . A 3 THR QG2 . 18408 1 20 . 1 1 3 3 THR HG23 H 1 1.299 0.001 . 1 . . . A 3 THR QG2 . 18408 1 21 . 1 1 4 4 ALA H H 1 8.263 0.001 . 1 . . . A 4 ALA HN . 18408 1 22 . 1 1 4 4 ALA HA H 1 4.267 0.001 . 1 . . . A 4 ALA HA . 18408 1 23 . 1 1 4 4 ALA HB1 H 1 1.497 0.001 . 1 . . . A 4 ALA QB . 18408 1 24 . 1 1 4 4 ALA HB2 H 1 1.497 0.001 . 1 . . . A 4 ALA QB . 18408 1 25 . 1 1 4 4 ALA HB3 H 1 1.497 0.001 . 1 . . . A 4 ALA QB . 18408 1 26 . 1 1 5 5 GLY H H 1 8.128 0.001 . 1 . . . . 5 Gly HN . 18408 1 27 . 1 1 5 5 GLY HA2 H 1 3.928 0.001 . 2 . . . . 5 Gly QA . 18408 1 28 . 1 1 5 5 GLY HA3 H 1 3.928 0.001 . 2 . . . . 5 Gly QA . 18408 1 29 . 1 1 6 6 GLU H H 1 7.958 0.000 . 1 . . . A 6 GLU HN . 18408 1 30 . 1 1 6 6 GLU HA H 1 4.299 0.000 . 1 . . . A 6 GLU HA . 18408 1 31 . 1 1 6 6 GLU HB2 H 1 2.234 0.000 . 2 . . . A 6 GLU QB . 18408 1 32 . 1 1 6 6 GLU HB3 H 1 2.234 0.000 . 2 . . . A 6 GLU QB . 18408 1 33 . 1 1 6 6 GLU HG2 H 1 2.549 0.001 . 2 . . . A 6 GLU QG . 18408 1 34 . 1 1 6 6 GLU HG3 H 1 2.549 0.001 . 2 . . . A 6 GLU QG . 18408 1 35 . 1 1 7 7 MET H H 1 8.064 0.000 . 1 . . . A 7 MET HN . 18408 1 36 . 1 1 7 7 MET HA H 1 4.438 0.001 . 1 . . . A 7 MET HA . 18408 1 37 . 1 1 7 7 MET HB2 H 1 2.197 0.001 . 2 . . . A 7 MET QB . 18408 1 38 . 1 1 7 7 MET HB3 H 1 2.197 0.001 . 2 . . . A 7 MET QB . 18408 1 39 . 1 1 7 7 MET HG2 H 1 2.693 0.001 . 2 . . . A 7 MET HG2 . 18408 1 40 . 1 1 7 7 MET HG3 H 1 2.595 0.002 . 2 . . . A 7 MET HG3 . 18408 1 41 . 1 1 8 8 ALA H H 1 7.981 0.000 . 1 . . . A 8 ALA HN . 18408 1 42 . 1 1 8 8 ALA HA H 1 4.258 0.000 . 1 . . . A 8 ALA HA . 18408 1 43 . 1 1 8 8 ALA HB1 H 1 1.531 0.001 . 1 . . . A 8 ALA QB . 18408 1 44 . 1 1 8 8 ALA HB2 H 1 1.531 0.001 . 1 . . . A 8 ALA QB . 18408 1 45 . 1 1 8 8 ALA HB3 H 1 1.531 0.001 . 1 . . . A 8 ALA QB . 18408 1 46 . 1 1 9 9 GLY H H 1 7.922 0.001 . 1 . . . . 9 Gly HN . 18408 1 47 . 1 1 9 9 GLY HA2 H 1 3.906 0.001 . 2 . . . . 9 Gly QA . 18408 1 48 . 1 1 9 9 GLY HA3 H 1 3.906 0.001 . 2 . . . . 9 Gly QA . 18408 1 49 . 1 1 10 10 ALA H H 1 7.726 0.001 . 1 . . . A 10 ALA HN . 18408 1 50 . 1 1 10 10 ALA HA H 1 4.261 0.001 . 1 . . . A 10 ALA HA . 18408 1 51 . 1 1 10 10 ALA HB1 H 1 1.491 0.001 . 1 . . . A 10 ALA QB . 18408 1 52 . 1 1 10 10 ALA HB2 H 1 1.491 0.001 . 1 . . . A 10 ALA QB . 18408 1 53 . 1 1 10 10 ALA HB3 H 1 1.491 0.001 . 1 . . . A 10 ALA QB . 18408 1 54 . 1 1 11 11 PHE H H 1 7.758 0.001 . 1 . . . A 11 PHE HN . 18408 1 55 . 1 1 11 11 PHE HA H 1 4.400 0.002 . 1 . . . A 11 PHE HA . 18408 1 56 . 1 1 11 11 PHE HB2 H 1 3.265 0.002 . 2 . . . A 11 PHE QB . 18408 1 57 . 1 1 11 11 PHE HB3 H 1 3.265 0.002 . 2 . . . A 11 PHE QB . 18408 1 58 . 1 1 11 11 PHE HD2 H 1 7.253 0.001 . 3 . . . A 11 PHE HD2 . 18408 1 59 . 1 1 12 12 VAL H H 1 7.796 0.000 . 1 . . . A 12 VAL HN . 18408 1 60 . 1 1 12 12 VAL HA H 1 3.773 0.002 . 1 . . . A 12 VAL HA . 18408 1 61 . 1 1 12 12 VAL HB H 1 2.201 0.001 . 1 . . . A 12 VAL HB . 18408 1 62 . 1 1 12 12 VAL HG11 H 1 1.133 0.001 . 2 . . . A 12 VAL QG1 . 18408 1 63 . 1 1 12 12 VAL HG12 H 1 1.133 0.001 . 2 . . . A 12 VAL QG1 . 18408 1 64 . 1 1 12 12 VAL HG13 H 1 1.133 0.001 . 2 . . . A 12 VAL QG1 . 18408 1 65 . 1 1 12 12 VAL HG21 H 1 1.059 0.001 . 2 . . . A 12 VAL QG2 . 18408 1 66 . 1 1 12 12 VAL HG22 H 1 1.059 0.001 . 2 . . . A 12 VAL QG2 . 18408 1 67 . 1 1 12 12 VAL HG23 H 1 1.059 0.001 . 2 . . . A 12 VAL QG2 . 18408 1 68 . 1 1 13 13 ALA H H 1 7.606 0.001 . 1 . . . A 13 ALA HN . 18408 1 69 . 1 1 13 13 ALA HA H 1 4.120 0.000 . 1 . . . A 13 ALA HA . 18408 1 70 . 1 1 13 13 ALA HB1 H 1 1.548 0.001 . 1 . . . A 13 ALA QB . 18408 1 71 . 1 1 13 13 ALA HB2 H 1 1.548 0.001 . 1 . . . A 13 ALA QB . 18408 1 72 . 1 1 13 13 ALA HB3 H 1 1.548 0.001 . 1 . . . A 13 ALA QB . 18408 1 73 . 1 1 14 14 VAL H H 1 7.727 0.001 . 1 . . . A 14 VAL HN . 18408 1 74 . 1 1 14 14 VAL HA H 1 3.744 0.001 . 1 . . . A 14 VAL HA . 18408 1 75 . 1 1 14 14 VAL HB H 1 2.144 0.001 . 1 . . . A 14 VAL HB . 18408 1 76 . 1 1 14 14 VAL HG11 H 1 1.093 0.001 . 2 . . . A 14 VAL QG1 . 18408 1 77 . 1 1 14 14 VAL HG12 H 1 1.093 0.001 . 2 . . . A 14 VAL QG1 . 18408 1 78 . 1 1 14 14 VAL HG13 H 1 1.093 0.001 . 2 . . . A 14 VAL QG1 . 18408 1 79 . 1 1 14 14 VAL HG21 H 1 0.955 0.001 . 2 . . . A 14 VAL QG2 . 18408 1 80 . 1 1 14 14 VAL HG22 H 1 0.955 0.001 . 2 . . . A 14 VAL QG2 . 18408 1 81 . 1 1 14 14 VAL HG23 H 1 0.955 0.001 . 2 . . . A 14 VAL QG2 . 18408 1 82 . 1 1 15 15 PHE H H 1 7.834 0.001 . 1 . . . A 15 PHE HN . 18408 1 83 . 1 1 15 15 PHE HA H 1 4.269 0.001 . 1 . . . A 15 PHE HA . 18408 1 84 . 1 1 15 15 PHE HB2 H 1 3.277 0.001 . 2 . . . A 15 PHE HB2 . 18408 1 85 . 1 1 15 15 PHE HB3 H 1 3.103 0.001 . 2 . . . A 15 PHE HB3 . 18408 1 86 . 1 1 15 15 PHE HD2 H 1 7.220 0.001 . 3 . . . A 15 PHE HD2 . 18408 1 87 . 1 1 15 15 PHE HE2 H 1 7.308 0.001 . 3 . . . A 15 PHE HE2 . 18408 1 88 . 1 1 16 16 LEU H H 1 8.396 0.001 . 1 . . . A 16 LEU HN . 18408 1 89 . 1 1 16 16 LEU HA H 1 4.051 0.001 . 1 . . . A 16 LEU HA . 18408 1 90 . 1 1 16 16 LEU HB2 H 1 2.022 0.001 . 2 . . . A 16 LEU QB . 18408 1 91 . 1 1 16 16 LEU HB3 H 1 2.022 0.001 . 2 . . . A 16 LEU QB . 18408 1 92 . 1 1 16 16 LEU HG H 1 1.521 0.001 . 1 . . . A 16 LEU HG . 18408 1 93 . 1 1 16 16 LEU HD11 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 94 . 1 1 16 16 LEU HD12 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 95 . 1 1 16 16 LEU HD13 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 96 . 1 1 16 16 LEU HD21 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 97 . 1 1 16 16 LEU HD22 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 98 . 1 1 16 16 LEU HD23 H 1 0.961 0.000 . 2 . . . A 16 LEU QQD . 18408 1 99 . 1 1 17 17 LEU H H 1 8.223 0.001 . 1 . . . A 17 LEU HN . 18408 1 100 . 1 1 17 17 LEU HA H 1 4.219 0.003 . 1 . . . A 17 LEU HA . 18408 1 101 . 1 1 17 17 LEU HB2 H 1 1.960 0.001 . 2 . . . A 17 LEU HB2 . 18408 1 102 . 1 1 17 17 LEU HB3 H 1 1.844 0.001 . 2 . . . A 17 LEU HB3 . 18408 1 103 . 1 1 17 17 LEU HG H 1 1.769 0.001 . 1 . . . A 17 LEU HG . 18408 1 104 . 1 1 17 17 LEU HD11 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 105 . 1 1 17 17 LEU HD12 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 106 . 1 1 17 17 LEU HD13 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 107 . 1 1 17 17 LEU HD21 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 108 . 1 1 17 17 LEU HD22 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 109 . 1 1 17 17 LEU HD23 H 1 0.954 0.000 . 2 . . . A 17 LEU QQD . 18408 1 110 . 1 1 18 18 ALA H H 1 8.424 0.001 . 1 . . . A 18 ALA HN . 18408 1 111 . 1 1 18 18 ALA HA H 1 4.158 0.000 . 1 . . . A 18 ALA HA . 18408 1 112 . 1 1 18 18 ALA HB1 H 1 1.538 0.000 . 1 . . . A 18 ALA QB . 18408 1 113 . 1 1 18 18 ALA HB2 H 1 1.538 0.000 . 1 . . . A 18 ALA QB . 18408 1 114 . 1 1 18 18 ALA HB3 H 1 1.538 0.000 . 1 . . . A 18 ALA QB . 18408 1 115 . 1 1 19 19 MET H H 1 8.179 0.002 . 1 . . . A 19 MET HN . 18408 1 116 . 1 1 19 19 MET HA H 1 4.172 0.001 . 1 . . . A 19 MET HA . 18408 1 117 . 1 1 19 19 MET HB2 H 1 2.132 0.001 . 2 . . . A 19 MET HB2 . 18408 1 118 . 1 1 19 19 MET HB3 H 1 1.932 0.001 . 2 . . . A 19 MET HB3 . 18408 1 119 . 1 1 19 19 MET HG2 H 1 2.376 0.001 . 2 . . . A 19 MET HG2 . 18408 1 120 . 1 1 19 19 MET HG3 H 1 2.237 0.001 . 2 . . . A 19 MET HG3 . 18408 1 121 . 1 1 20 20 PHE H H 1 8.433 0.001 . 1 . . . A 20 PHE HN . 18408 1 122 . 1 1 20 20 PHE HA H 1 4.371 0.001 . 1 . . . A 20 PHE HA . 18408 1 123 . 1 1 20 20 PHE HB2 H 1 3.265 0.000 . 2 . . . A 20 PHE QB . 18408 1 124 . 1 1 20 20 PHE HB3 H 1 3.265 0.000 . 2 . . . A 20 PHE QB . 18408 1 125 . 1 1 20 20 PHE HD1 H 1 7.084 0.000 . 3 . . . A 20 PHE HD1 . 18408 1 126 . 1 1 20 20 PHE HE1 H 1 7.240 0.001 . 3 . . . A 20 PHE HE1 . 18408 1 127 . 1 1 21 21 TYR H H 1 8.753 0.001 . 1 . . . A 21 TYR HN . 18408 1 128 . 1 1 21 21 TYR HA H 1 4.252 0.001 . 1 . . . A 21 TYR HA . 18408 1 129 . 1 1 21 21 TYR HB2 H 1 3.232 0.001 . 2 . . . A 21 TYR QB . 18408 1 130 . 1 1 21 21 TYR HB3 H 1 3.232 0.001 . 2 . . . A 21 TYR QB . 18408 1 131 . 1 1 21 21 TYR HD1 H 1 7.234 0.000 . 3 . . . A 21 TYR HD1 . 18408 1 132 . 1 1 21 21 TYR HE1 H 1 6.872 0.001 . 3 . . . A 21 TYR HE1 . 18408 1 133 . 1 1 22 22 GLU H H 1 8.468 0.001 . 1 . . . A 22 GLU HN . 18408 1 134 . 1 1 22 22 GLU HA H 1 4.187 0.000 . 1 . . . A 22 GLU HA . 18408 1 135 . 1 1 22 22 GLU HB2 H 1 2.259 0.000 . 2 . . . A 22 GLU QB . 18408 1 136 . 1 1 22 22 GLU HB3 H 1 2.259 0.000 . 2 . . . A 22 GLU QB . 18408 1 137 . 1 1 22 22 GLU HG2 H 1 2.648 0.001 . 2 . . . A 22 GLU QG . 18408 1 138 . 1 1 22 22 GLU HG3 H 1 2.648 0.001 . 2 . . . A 22 GLU QG . 18408 1 139 . 1 1 23 23 GLY H H 1 7.832 0.001 . 1 . . . . 23 Gly HN . 18408 1 140 . 1 1 23 23 GLY HA2 H 1 4.019 0.001 . 2 . . . . 23 Gly HA2 . 18408 1 141 . 1 1 23 23 GLY HA3 H 1 3.894 0.000 . 2 . . . . 23 Gly HA3 . 18408 1 142 . 1 1 24 24 LEU H H 1 7.638 0.002 . 1 . . . A 24 LEU HN . 18408 1 143 . 1 1 24 24 LEU HA H 1 4.293 0.000 . 1 . . . A 24 LEU HA . 18408 1 144 . 1 1 24 24 LEU HB2 H 1 1.693 0.001 . 2 . . . A 24 LEU QB . 18408 1 145 . 1 1 24 24 LEU HB3 H 1 1.693 0.001 . 2 . . . A 24 LEU QB . 18408 1 146 . 1 1 24 24 LEU HG H 1 1.581 0.001 . 1 . . . A 24 LEU HG . 18408 1 147 . 1 1 24 24 LEU HD11 H 1 0.901 0.000 . 2 . . . A 24 LEU QD1 . 18408 1 148 . 1 1 24 24 LEU HD12 H 1 0.901 0.000 . 2 . . . A 24 LEU QD1 . 18408 1 149 . 1 1 24 24 LEU HD13 H 1 0.901 0.000 . 2 . . . A 24 LEU QD1 . 18408 1 150 . 1 1 24 24 LEU HD21 H 1 0.838 0.000 . 2 . . . A 24 LEU QD2 . 18408 1 151 . 1 1 24 24 LEU HD22 H 1 0.838 0.000 . 2 . . . A 24 LEU QD2 . 18408 1 152 . 1 1 24 24 LEU HD23 H 1 0.838 0.000 . 2 . . . A 24 LEU QD2 . 18408 1 153 . 1 1 25 25 LYS H H 1 7.617 0.000 . 1 . . . A 25 LYS HN . 18408 1 154 . 1 1 25 25 LYS HA H 1 4.331 0.001 . 1 . . . A 25 LYS HA . 18408 1 155 . 1 1 25 25 LYS HB2 H 1 1.918 0.002 . 2 . . . A 25 LYS HB2 . 18408 1 156 . 1 1 25 25 LYS HB3 H 1 1.818 0.001 . 2 . . . A 25 LYS HB3 . 18408 1 157 . 1 1 25 25 LYS HG2 H 1 1.455 0.001 . 2 . . . A 25 LYS QG . 18408 1 158 . 1 1 25 25 LYS HG3 H 1 1.455 0.001 . 2 . . . A 25 LYS QG . 18408 1 159 . 1 1 25 25 LYS HD2 H 1 1.704 0.001 . 2 . . . A 25 LYS QD . 18408 1 160 . 1 1 25 25 LYS HD3 H 1 1.704 0.001 . 2 . . . A 25 LYS QD . 18408 1 161 . 1 1 25 25 LYS HE2 H 1 3.019 0.002 . 2 . . . A 25 LYS QE . 18408 1 162 . 1 1 25 25 LYS HE3 H 1 3.019 0.002 . 2 . . . A 25 LYS QE . 18408 1 163 . 1 1 25 25 LYS HZ1 H 1 7.236 0.001 . 1 . . . A 25 LYS QZ . 18408 1 164 . 1 1 25 25 LYS HZ2 H 1 7.236 0.001 . 1 . . . A 25 LYS QZ . 18408 1 165 . 1 1 25 25 LYS HZ3 H 1 7.236 0.001 . 1 . . . A 25 LYS QZ . 18408 1 stop_ save_