################################### # 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 7402 _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 TOCSY' . . . 7402 1 2 '2D NOESY' . . . 7402 1 3 '2D NOESY' . . . 7402 1 4 DQF-COSY . . . 7402 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 SER HA H 1 4.22298 0.005 . . . . . . 1 SER HA . 7402 1 2 . 1 1 1 1 SER HB2 H 1 3.98848 0.005 . . . . . . 1 SER QB . 7402 1 3 . 1 1 1 1 SER HB3 H 1 3.98848 0.005 . . . . . . 1 SER QB . 7402 1 4 . 1 1 2 2 MET HA H 1 4.30905 0.005 . . . . . . 2 MET HA . 7402 1 5 . 1 1 3 3 TRP H H 1 7.67812 0.005 . . . . . . 3 TRP HN . 7402 1 6 . 1 1 3 3 TRP HA H 1 4.87701 0.00305 . . . . . . 3 TRP HA . 7402 1 7 . 1 1 3 3 TRP HB2 H 1 3.31757 0.005 . . . . . . 3 TRP HB2 . 7402 1 8 . 1 1 3 3 TRP HB3 H 1 3.49631 0.005 . . . . . . 3 TRP HB3 . 7402 1 9 . 1 1 3 3 TRP HD1 H 1 7.31059 0.005 . . . . . . 3 TRP HD1 . 7402 1 10 . 1 1 3 3 TRP HE1 H 1 9.81157 0.005 . . . . . . 3 TRP HE1 . 7402 1 11 . 1 1 3 3 TRP HE3 H 1 7.42337 0.005 . . . . . . 3 TRP HE3 . 7402 1 12 . 1 1 3 3 TRP HH2 H 1 7.07623 0.005 . . . . . . 3 TRP HH2 . 7402 1 13 . 1 1 3 3 TRP HZ2 H 1 7.40120 0.005 . . . . . . 3 TRP HZ2 . 7402 1 14 . 1 1 3 3 TRP HZ3 H 1 7.00746 0.005 . . . . . . 3 TRP HZ3 . 7402 1 15 . 1 1 4 4 SER H H 1 8.19072 0.00030 . . . . . . 4 SER HN . 7402 1 16 . 1 1 4 4 SER HA H 1 4.41639 0.005 . . . . . . 4 SER HA . 7402 1 17 . 1 1 4 4 SER HB2 H 1 3.99210 0.00634 . . . . . . 4 SER HB2 . 7402 1 18 . 1 1 4 4 SER HB3 H 1 4.11101 0.00565 . . . . . . 4 SER HB3 . 7402 1 19 . 1 1 5 5 GLY H H 1 8.25954 0.00166 . . . . . . 5 GLY HN . 7402 1 20 . 1 1 5 5 GLY HA2 H 1 3.98065 0.005 . . . . . . 5 GLY HA1 . 7402 1 21 . 1 1 5 5 GLY HA3 H 1 4.06001 0.00052 . . . . . . 5 GLY HA2 . 7402 1 22 . 1 1 6 6 MET H H 1 8.02271 0.005 . . . . . . 6 MET HN . 7402 1 23 . 1 1 6 6 MET HA H 1 4.40269 0.005 . . . . . . 6 MET HA . 7402 1 24 . 1 1 6 6 MET HB2 H 1 1.86429 0.005 . . . . . . 6 MET HB2 . 7402 1 25 . 1 1 6 6 MET HB3 H 1 1.95980 0.005 . . . . . . 6 MET HB3 . 7402 1 26 . 1 1 6 6 MET HG2 H 1 2.00738 0.005 . . . . . . 6 MET QG . 7402 1 27 . 1 1 6 6 MET HG3 H 1 2.00738 0.005 . . . . . . 6 MET QG . 7402 1 28 . 1 1 7 7 TRP H H 1 8.14589 0.005 . . . . . . 7 TRP HN . 7402 1 29 . 1 1 7 7 TRP HA H 1 4.39424 0.005 . . . . . . 7 TRP HA . 7402 1 30 . 1 1 7 7 TRP HB2 H 1 3.29419 0.005 . . . . . . 7 TRP HB2 . 7402 1 31 . 1 1 7 7 TRP HB3 H 1 3.39317 0.005 . . . . . . 7 TRP HB3 . 7402 1 32 . 1 1 7 7 TRP HD1 H 1 7.44741 0.00233 . . . . . . 7 TRP HD1 . 7402 1 33 . 1 1 7 7 TRP HE1 H 1 9.79690 0.005 . . . . . . 7 TRP HE1 . 7402 1 34 . 1 1 7 7 TRP HE3 H 1 7.44886 0.005 . . . . . . 7 TRP HE3 . 7402 1 35 . 1 1 7 7 TRP HH2 H 1 7.11173 0.005 . . . . . . 7 TRP HH2 . 7402 1 36 . 1 1 7 7 TRP HZ2 H 1 7.46830 0.005 . . . . . . 7 TRP HZ2 . 7402 1 37 . 1 1 7 7 TRP HZ3 H 1 6.97390 0.005 . . . . . . 7 TRP HZ3 . 7402 1 38 . 1 1 8 8 ARG H H 1 7.82473 0.005 . . . . . . 8 ARG HN . 7402 1 39 . 1 1 8 8 ARG HA H 1 3.88796 0.005 . . . . . . 8 ARG HA . 7402 1 40 . 1 1 8 8 ARG HB2 H 1 1.73410 0.005 . . . . . . 8 ARG HB2 . 7402 1 41 . 1 1 8 8 ARG HB3 H 1 1.86000 0.005 . . . . . . 8 ARG HB3 . 7402 1 42 . 1 1 8 8 ARG HD2 H 1 3.17337 0.005 . . . . . . 8 ARG QD . 7402 1 43 . 1 1 8 8 ARG HD3 H 1 3.17337 0.005 . . . . . . 8 ARG QD . 7402 1 44 . 1 1 8 8 ARG HE H 1 7.13225 0.005 . . . . . . 8 ARG HE . 7402 1 45 . 1 1 8 8 ARG HG2 H 1 1.47036 0.005 . . . . . . 8 ARG QG . 7402 1 46 . 1 1 8 8 ARG HG3 H 1 1.47036 0.005 . . . . . . 8 ARG QG . 7402 1 47 . 1 1 9 9 ARG H H 1 7.66757 0.005 . . . . . . 9 ARG HN . 7402 1 48 . 1 1 9 9 ARG HA H 1 4.09243 0.005 . . . . . . 9 ARG HA . 7402 1 49 . 1 1 9 9 ARG HB2 H 1 1.96346 0.005 . . . . . . 9 ARG QB . 7402 1 50 . 1 1 9 9 ARG HB3 H 1 1.96346 0.005 . . . . . . 9 ARG QB . 7402 1 51 . 1 1 9 9 ARG HD2 H 1 3.22170 0.005 . . . . . . 9 ARG QD . 7402 1 52 . 1 1 9 9 ARG HD3 H 1 3.22170 0.005 . . . . . . 9 ARG QD . 7402 1 53 . 1 1 9 9 ARG HE H 1 7.23777 0.005 . . . . . . 9 ARG HE . 7402 1 54 . 1 1 9 9 ARG HG2 H 1 1.70578 0.005 . . . . . . 9 ARG HG2 . 7402 1 55 . 1 1 9 9 ARG HG3 H 1 1.81384 0.005 . . . . . . 9 ARG HG3 . 7402 1 56 . 1 1 10 10 LYS H H 1 7.82156 0.005 . . . . . . 10 LYS HN . 7402 1 57 . 1 1 10 10 LYS HA H 1 4.10910 0.005 . . . . . . 10 LYS HA . 7402 1 58 . 1 1 10 10 LYS HB2 H 1 1.86419 0.005 . . . . . . 10 LYS HB2 . 7402 1 59 . 1 1 10 10 LYS HB3 H 1 2.05833 0.005 . . . . . . 10 LYS HB3 . 7402 1 60 . 1 1 10 10 LYS HG2 H 1 1.50838 0.005 . . . . . . 10 LYS HG2 . 7402 1 61 . 1 1 10 10 LYS HG3 H 1 1.57322 0.005 . . . . . . 10 LYS HG3 . 7402 1 62 . 1 1 11 11 LEU H H 1 8.19412 0.005 . . . . . . 11 LEU HN . 7402 1 63 . 1 1 11 11 LEU HA H 1 4.16538 0.005 . . . . . . 11 LEU HA . 7402 1 64 . 1 1 11 11 LEU HB2 H 1 1.82913 0.09591 . . . . . . 11 LEU HB2 . 7402 1 65 . 1 1 11 11 LEU HB3 H 1 1.97012 0.00179 . . . . . . 11 LEU HB3 . 7402 1 66 . 1 1 11 11 LEU HD11 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 67 . 1 1 11 11 LEU HD12 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 68 . 1 1 11 11 LEU HD13 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 69 . 1 1 11 11 LEU HD21 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 70 . 1 1 11 11 LEU HD22 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 71 . 1 1 11 11 LEU HD23 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 72 . 1 1 12 12 LYS H H 1 7.89018 0.005 . . . . . . 12 LYS HN . 7402 1 73 . 1 1 12 12 LYS HA H 1 4.01243 0.005 . . . . . . 12 LYS HA . 7402 1 74 . 1 1 12 12 LYS HB2 H 1 1.95741 0.00003 . . . . . . 12 LYS QB . 7402 1 75 . 1 1 12 12 LYS HB3 H 1 1.95741 0.00003 . . . . . . 12 LYS QB . 7402 1 76 . 1 1 12 12 LYS HG2 H 1 1.73760 0.005 . . . . . . 12 LYS QG . 7402 1 77 . 1 1 12 12 LYS HG3 H 1 1.73760 0.005 . . . . . . 12 LYS QG . 7402 1 78 . 1 1 13 13 LYS H H 1 7.90657 0.005 . . . . . . 13 LYS HN . 7402 1 79 . 1 1 13 13 LYS HA H 1 4.09838 0.005 . . . . . . 13 LYS HA . 7402 1 80 . 1 1 13 13 LYS HB2 H 1 2.03466 0.00029 . . . . . . 13 LYS QB . 7402 1 81 . 1 1 13 13 LYS HB3 H 1 2.03466 0.00029 . . . . . . 13 LYS QB . 7402 1 82 . 1 1 13 13 LYS HG2 H 1 1.55705 0.005 . . . . . . 13 LYS HG2 . 7402 1 83 . 1 1 13 13 LYS HG3 H 1 1.68937 0.005 . . . . . . 13 LYS HG3 . 7402 1 84 . 1 1 14 14 LEU H H 1 8.00249 0.005 . . . . . . 14 LEU HN . 7402 1 85 . 1 1 14 14 LEU HA H 1 4.12679 0.005 . . . . . . 14 LEU HA . 7402 1 86 . 1 1 14 14 LEU HB2 H 1 1.80120 0.005 . . . . . . 14 LEU HB2 . 7402 1 87 . 1 1 14 14 LEU HB3 H 1 1.92030 0.005 . . . . . . 14 LEU HB3 . 7402 1 88 . 1 1 14 14 LEU HD11 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 89 . 1 1 14 14 LEU HD12 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 90 . 1 1 14 14 LEU HD13 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 91 . 1 1 14 14 LEU HD21 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 92 . 1 1 14 14 LEU HD22 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 93 . 1 1 14 14 LEU HD23 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 94 . 1 1 15 15 ARG H H 1 8.45555 0.005 . . . . . . 15 ARG HN . 7402 1 95 . 1 1 15 15 ARG HA H 1 3.86984 0.005 . . . . . . 15 ARG HA . 7402 1 96 . 1 1 15 15 ARG HB2 H 1 1.93468 0.005 . . . . . . 15 ARG HB2 . 7402 1 97 . 1 1 15 15 ARG HB3 H 1 2.11383 0.005 . . . . . . 15 ARG HB3 . 7402 1 98 . 1 1 15 15 ARG HD2 H 1 2.98162 0.005 . . . . . . 15 ARG QD . 7402 1 99 . 1 1 15 15 ARG HD3 H 1 2.98162 0.005 . . . . . . 15 ARG QD . 7402 1 100 . 1 1 15 15 ARG HE H 1 6.87682 0.005 . . . . . . 15 ARG HE . 7402 1 101 . 1 1 15 15 ARG HG2 H 1 1.77956 0.005 . . . . . . 15 ARG HG2 . 7402 1 102 . 1 1 15 15 ARG HG3 H 1 1.88449 0.005 . . . . . . 15 ARG HG3 . 7402 1 103 . 1 1 16 16 ASN H H 1 8.15234 0.005 . . . . . . 16 ASN HN . 7402 1 104 . 1 1 16 16 ASN HA H 1 4.46956 0.005 . . . . . . 16 ASN HA . 7402 1 105 . 1 1 16 16 ASN HB2 H 1 2.86857 0.005 . . . . . . 16 ASN HB2 . 7402 1 106 . 1 1 16 16 ASN HB3 H 1 2.98067 0.005 . . . . . . 16 ASN HB3 . 7402 1 107 . 1 1 17 17 ALA H H 1 8.14836 0.005 . . . . . . 17 ALA HN . 7402 1 108 . 1 1 17 17 ALA HA H 1 4.20354 0.005 . . . . . . 17 ALA HA . 7402 1 109 . 1 1 17 17 ALA HB1 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 110 . 1 1 17 17 ALA HB2 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 111 . 1 1 17 17 ALA HB3 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 112 . 1 1 18 18 LEU H H 1 8.26213 0.005 . . . . . . 18 LEU HN . 7402 1 113 . 1 1 18 18 LEU HA H 1 4.19080 0.005 . . . . . . 18 LEU HA . 7402 1 114 . 1 1 18 18 LEU HB2 H 1 1.65716 0.005 . . . . . . 18 LEU HB2 . 7402 1 115 . 1 1 18 18 LEU HB3 H 1 1.88146 0.005 . . . . . . 18 LEU HB3 . 7402 1 116 . 1 1 18 18 LEU HD11 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 117 . 1 1 18 18 LEU HD12 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 118 . 1 1 18 18 LEU HD13 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 119 . 1 1 18 18 LEU HD21 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 120 . 1 1 18 18 LEU HD22 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 121 . 1 1 18 18 LEU HD23 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 122 . 1 1 19 19 LYS H H 1 8.24064 0.005 . . . . . . 19 LYS HN . 7402 1 123 . 1 1 19 19 LYS HA H 1 3.93056 0.005 . . . . . . 19 LYS HA . 7402 1 124 . 1 1 19 19 LYS HB2 H 1 2.00689 0.005 . . . . . . 19 LYS QB . 7402 1 125 . 1 1 19 19 LYS HB3 H 1 2.00689 0.005 . . . . . . 19 LYS QB . 7402 1 126 . 1 1 20 20 LYS H H 1 7.78301 0.005 . . . . . . 20 LYS HN . 7402 1 127 . 1 1 20 20 LYS HA H 1 4.03441 0.005 . . . . . . 20 LYS HA . 7402 1 128 . 1 1 20 20 LYS HB2 H 1 1.97608 0.00170 . . . . . . 20 LYS QB . 7402 1 129 . 1 1 20 20 LYS HB3 H 1 1.97608 0.00170 . . . . . . 20 LYS QB . 7402 1 130 . 1 1 20 20 LYS HG2 H 1 1.49037 0.005 . . . . . . 20 LYS HG2 . 7402 1 131 . 1 1 20 20 LYS HG3 H 1 1.57322 0.005 . . . . . . 20 LYS HG3 . 7402 1 132 . 1 1 21 21 LYS H H 1 8.15509 0.005 . . . . . . 21 LYS HN . 7402 1 133 . 1 1 21 21 LYS HA H 1 4.08679 0.005 . . . . . . 21 LYS HA . 7402 1 134 . 1 1 21 21 LYS HB2 H 1 1.98885 0.00041 . . . . . . 21 LYS QB . 7402 1 135 . 1 1 21 21 LYS HB3 H 1 1.98885 0.00041 . . . . . . 21 LYS QB . 7402 1 136 . 1 1 21 21 LYS HG2 H 1 1.63937 0.005 . . . . . . 21 LYS HG2 . 7402 1 137 . 1 1 21 21 LYS HG3 H 1 1.75637 0.005 . . . . . . 21 LYS HG3 . 7402 1 138 . 1 1 22 22 LEU H H 1 8.22880 0.005 . . . . . . 22 LEU HN . 7402 1 139 . 1 1 22 22 LEU HA H 1 4.29925 0.005 . . . . . . 22 LEU HA . 7402 1 140 . 1 1 22 22 LEU HB2 H 1 1.83686 0.005 . . . . . . 22 LEU QB . 7402 1 141 . 1 1 22 22 LEU HB3 H 1 1.83686 0.005 . . . . . . 22 LEU QB . 7402 1 142 . 1 1 22 22 LEU HD11 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 143 . 1 1 22 22 LEU HD12 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 144 . 1 1 22 22 LEU HD13 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 145 . 1 1 22 22 LEU HD21 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 146 . 1 1 22 22 LEU HD22 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 147 . 1 1 22 22 LEU HD23 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 148 . 1 1 23 23 LYS H H 1 7.77833 0.005 . . . . . . 23 LYS HN . 7402 1 149 . 1 1 23 23 LYS HA H 1 4.22477 0.005 . . . . . . 23 LYS HA . 7402 1 150 . 1 1 23 23 LYS HB2 H 1 1.92605 0.06667 . . . . . . 23 LYS QB . 7402 1 151 . 1 1 23 23 LYS HB3 H 1 1.92605 0.06667 . . . . . . 23 LYS QB . 7402 1 152 . 1 1 24 24 GLY H H 1 8.25175 0.005 . . . . . . 24 GLY HN . 7402 1 153 . 1 1 24 24 GLY HA2 H 1 3.96861 0.005 . . . . . . 24 GLY HA1 . 7402 1 154 . 1 1 24 24 GLY HA3 H 1 4.17630 0.005 . . . . . . 24 GLY HA2 . 7402 1 155 . 1 1 25 25 GLU H H 1 8.08498 0.005 . . . . . . 25 GLU HN . 7402 1 156 . 1 1 25 25 GLU HA H 1 4.21497 0.005 . . . . . . 25 GLU HA . 7402 1 157 . 1 1 25 25 GLU HB2 H 1 1.96489 0.005 . . . . . . 25 GLU HB2 . 7402 1 158 . 1 1 25 25 GLU HB3 H 1 2.04833 0.005 . . . . . . 25 GLU HB3 . 7402 1 159 . 1 1 25 25 GLU HG2 H 1 2.34516 0.005 . . . . . . 25 GLU HG2 . 7402 1 160 . 1 1 25 25 GLU HG3 H 1 2.43861 0.005 . . . . . . 25 GLU HG3 . 7402 1 161 . 1 1 26 26 LYS H H 1 7.72587 0.005 . . . . . . 26 LYS HN . 7402 1 162 . 1 1 26 26 LYS HA H 1 4.15138 0.005 . . . . . . 26 LYS HA . 7402 1 stop_ save_