################################### # 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 34934 _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 COSY' . . . 34934 1 2 '2D 1H-1H TOCSY' . . . 34934 1 3 '2D 1H-1H NOESY' . . . 34934 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 GLU HA H 1 4.004215606 0.0002500808606 . 1 . . . . A 1 GLU HA . 34934 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.048479655 0.002641567763 . 2 . . . . A 1 GLU HB2 . 34934 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.115357767 0.001371608158 . 2 . . . . A 1 GLU HB3 . 34934 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.357944034 0.0008731179228 . 2 . . . . A 1 GLU HG2 . 34934 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.357944034 0.0008731179228 . 2 . . . . A 1 GLU HG3 . 34934 1 6 . 1 . 1 2 2 GLU HA H 1 4.333457034 0.001006098531 . 1 . . . . A 2 GLU HA . 34934 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.014461641 0.002787095728 . 2 . . . . A 2 GLU HB2 . 34934 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.209829527 0.003692898925 . 2 . . . . A 2 GLU HB3 . 34934 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.366019386 0.002175260806 . 2 . . . . A 2 GLU HG2 . 34934 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.366034467 0.002306768848 . 2 . . . . A 2 GLU HG3 . 34934 1 11 . 1 . 1 3 3 GLU H H 1 8.961803924 0.0004984272833 . 1 . . . . A 3 GLU H . 34934 1 12 . 1 . 1 3 3 GLU HA H 1 4.145822718 0.00142731882 . 1 . . . . A 3 GLU HA . 34934 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.04269491 0.0007789159854 . 2 . . . . A 3 GLU HB2 . 34934 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.09876811 0.002232749123 . 2 . . . . A 3 GLU HB3 . 34934 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.325398841 0.002626280284 . 2 . . . . A 3 GLU HG2 . 34934 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.325398841 0.002626280284 . 2 . . . . A 3 GLU HG3 . 34934 1 17 . 1 . 1 4 4 ALA H H 1 8.577977264 0.001965069183 . 1 . . . . A 4 ALA H . 34934 1 18 . 1 . 1 4 4 ALA HA H 1 4.104588012 0.005350516014 . 1 . . . . A 4 ALA HA . 34934 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.453898239 0.002898893213 . 1 . . . . A 4 ALA HB1 . 34934 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.453898239 0.002898893213 . 1 . . . . A 4 ALA HB2 . 34934 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.453898239 0.002898893213 . 1 . . . . A 4 ALA HB3 . 34934 1 22 . 1 . 1 5 5 VAL H H 1 7.464984301 0.001690817186 . 1 . . . . A 5 VAL H . 34934 1 23 . 1 . 1 5 5 VAL HA H 1 3.8709943 0.001941666227 . 1 . . . . A 5 VAL HA . 34934 1 24 . 1 . 1 5 5 VAL HB H 1 2.214229983 0.0003703618923 . 1 . . . . A 5 VAL HB . 34934 1 25 . 1 . 1 5 5 VAL HG11 H 1 1.03242715 0.002751497334 . 2 . . . . A 5 VAL HG11 . 34934 1 26 . 1 . 1 5 5 VAL HG12 H 1 1.03242715 0.002751497334 . 2 . . . . A 5 VAL HG12 . 34934 1 27 . 1 . 1 5 5 VAL HG13 H 1 1.03242715 0.002751497334 . 2 . . . . A 5 VAL HG13 . 34934 1 28 . 1 . 1 5 5 VAL HG21 H 1 1.049606561 0.001099272242 . 2 . . . . A 5 VAL HG21 . 34934 1 29 . 1 . 1 5 5 VAL HG22 H 1 1.049606561 0.001099272242 . 2 . . . . A 5 VAL HG22 . 34934 1 30 . 1 . 1 5 5 VAL HG23 H 1 1.049606561 0.001099272242 . 2 . . . . A 5 VAL HG23 . 34934 1 31 . 1 . 1 6 6 ARG H H 1 7.933640623 0.0007464669259 . 1 . . . . A 6 ARG H . 34934 1 32 . 1 . 1 6 6 ARG HA H 1 4.0375006 0.002899349603 . 1 . . . . A 6 ARG HA . 34934 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.939874955 0.0008586482705 . 2 . . . . A 6 ARG HB2 . 34934 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.968247457 0.001794735805 . 2 . . . . A 6 ARG HB3 . 34934 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.599308461 0.00650030363 . 2 . . . . A 6 ARG HG2 . 34934 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.73907962 0.001731605051 . 2 . . . . A 6 ARG HG3 . 34934 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.214457328 0.0002441766092 . 2 . . . . A 6 ARG HD2 . 34934 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.279854722 0.001341948727 . 2 . . . . A 6 ARG HD3 . 34934 1 39 . 1 . 1 7 7 LEU H H 1 8.480564681 0.00152488871 . 1 . . . . A 7 LEU H . 34934 1 40 . 1 . 1 7 7 LEU HA H 1 4.134445912 0.001135214944 . 1 . . . . A 7 LEU HA . 34934 1 41 . 1 . 1 7 7 LEU HB2 H 1 1.388227499 0.002933558182 . 2 . . . . A 7 LEU HB2 . 34934 1 42 . 1 . 1 7 7 LEU HB3 H 1 1.919254223 0.001856802462 . 2 . . . . A 7 LEU HB3 . 34934 1 43 . 1 . 1 7 7 LEU HG H 1 1.813704572 0.001806085113 . 1 . . . . A 7 LEU HG . 34934 1 44 . 1 . 1 7 7 LEU HD11 H 1 0.8964200427 0.0008553190542 . 2 . . . . A 7 LEU HD11 . 34934 1 45 . 1 . 1 7 7 LEU HD12 H 1 0.8964200427 0.0008553190542 . 2 . . . . A 7 LEU HD12 . 34934 1 46 . 1 . 1 7 7 LEU HD13 H 1 0.8964200427 0.0008553190542 . 2 . . . . A 7 LEU HD13 . 34934 1 47 . 1 . 1 7 7 LEU HD21 H 1 0.9294413826 0.00103205801 . 2 . . . . A 7 LEU HD21 . 34934 1 48 . 1 . 1 7 7 LEU HD22 H 1 0.9294413826 0.00103205801 . 2 . . . . A 7 LEU HD22 . 34934 1 49 . 1 . 1 7 7 LEU HD23 H 1 0.9294413826 0.00103205801 . 2 . . . . A 7 LEU HD23 . 34934 1 50 . 1 . 1 8 8 TYR H H 1 8.196286742 0.0006026089958 . 1 . . . . A 8 TYR H . 34934 1 51 . 1 . 1 8 8 TYR HA H 1 4.131563086 0.002763539241 . 1 . . . . A 8 TYR HA . 34934 1 52 . 1 . 1 8 8 TYR HB2 H 1 3.154092783 0.001305362077 . 2 . . . . A 8 TYR HB2 . 34934 1 53 . 1 . 1 8 8 TYR HB3 H 1 3.234797806 0.002012102238 . 2 . . . . A 8 TYR HB3 . 34934 1 54 . 1 . 1 8 8 TYR HD1 H 1 6.989954606 0.002194820422 . 3 . . . . A 8 TYR HD1 . 34934 1 55 . 1 . 1 8 8 TYR HD2 H 1 6.989954606 0.002194820422 . 3 . . . . A 8 TYR HD2 . 34934 1 56 . 1 . 1 8 8 TYR HE1 H 1 6.79804531 0.001162289891 . 3 . . . . A 8 TYR HE1 . 34934 1 57 . 1 . 1 8 8 TYR HE2 H 1 6.79804531 0.001162289891 . 3 . . . . A 8 TYR HE2 . 34934 1 58 . 1 . 1 9 9 ILE H H 1 8.501968005 0.002035926928 . 1 . . . . A 9 ILE H . 34934 1 59 . 1 . 1 9 9 ILE HA H 1 3.702695641 0.003044658444 . 1 . . . . A 9 ILE HA . 34934 1 60 . 1 . 1 9 9 ILE HB H 1 2.037051526 0.001802195634 . 1 . . . . A 9 ILE HB . 34934 1 61 . 1 . 1 9 9 ILE HG12 H 1 1.375825149 0.00258951549 . 2 . . . . A 9 ILE HG12 . 34934 1 62 . 1 . 1 9 9 ILE HG13 H 1 1.868179471 0.001432371688 . 2 . . . . A 9 ILE HG13 . 34934 1 63 . 1 . 1 9 9 ILE HG21 H 1 0.9467130679 0.002243441078 . 1 . . . . A 9 ILE HG21 . 34934 1 64 . 1 . 1 9 9 ILE HG22 H 1 0.9467130679 0.002243441078 . 1 . . . . A 9 ILE HG22 . 34934 1 65 . 1 . 1 9 9 ILE HG23 H 1 0.9467130679 0.002243441078 . 1 . . . . A 9 ILE HG23 . 34934 1 66 . 1 . 1 9 9 ILE HD11 H 1 0.9249257848 0.002786496473 . 1 . . . . A 9 ILE HD11 . 34934 1 67 . 1 . 1 9 9 ILE HD12 H 1 0.9249257848 0.002786496473 . 1 . . . . A 9 ILE HD12 . 34934 1 68 . 1 . 1 9 9 ILE HD13 H 1 0.9249257848 0.002786496473 . 1 . . . . A 9 ILE HD13 . 34934 1 69 . 1 . 1 10 10 GLN H H 1 7.987587099 0.0009702820232 . 1 . . . . A 10 GLN H . 34934 1 70 . 1 . 1 10 10 GLN HA H 1 3.906542878 0.0005620172211 . 1 . . . . A 10 GLN HA . 34934 1 71 . 1 . 1 10 10 GLN HB2 H 1 2.129460949 0.003648520347 . 2 . . . . A 10 GLN HB2 . 34934 1 72 . 1 . 1 10 10 GLN HB3 H 1 2.222669999 0.002168007655 . 2 . . . . A 10 GLN HB3 . 34934 1 73 . 1 . 1 10 10 GLN HG2 H 1 2.399759472 0.003920630396 . 2 . . . . A 10 GLN HG2 . 34934 1 74 . 1 . 1 10 10 GLN HG3 H 1 2.399759472 0.003920630396 . 2 . . . . A 10 GLN HG3 . 34934 1 75 . 1 . 1 10 10 GLN HE21 H 1 6.922435355 0.000519996421 . 2 . . . . A 10 GLN HE21 . 34934 1 76 . 1 . 1 10 10 GLN HE22 H 1 7.791955815 0.0004559059105 . 2 . . . . A 10 GLN HE22 . 34934 1 77 . 1 . 1 11 11 TRP H H 1 8.014137734 0.001126493802 . 1 . . . . A 11 TRP H . 34934 1 78 . 1 . 1 11 11 TRP HA H 1 4.257734116 0.00226639694 . 1 . . . . A 11 TRP HA . 34934 1 79 . 1 . 1 11 11 TRP HB2 H 1 3.166582783 0.002117056688 . 2 . . . . A 11 TRP HB2 . 34934 1 80 . 1 . 1 11 11 TRP HB3 H 1 3.588872689 0.001150983624 . 2 . . . . A 11 TRP HB3 . 34934 1 81 . 1 . 1 11 11 TRP HD1 H 1 6.998639297 0.0008265337771 . 1 . . . . A 11 TRP HD1 . 34934 1 82 . 1 . 1 11 11 TRP HE1 H 1 9.69427321 0.0006418672401 . 1 . . . . A 11 TRP HE1 . 34934 1 83 . 1 . 1 11 11 TRP HE3 H 1 7.076215877 0.003126923873 . 1 . . . . A 11 TRP HE3 . 34934 1 84 . 1 . 1 11 11 TRP HZ2 H 1 7.198735273 0.0009097119734 . 1 . . . . A 11 TRP HZ2 . 34934 1 85 . 1 . 1 11 11 TRP HZ3 H 1 7.112663342 0.001410232549 . 1 . . . . A 11 TRP HZ3 . 34934 1 86 . 1 . 1 11 11 TRP HH2 H 1 7.198768476 0.00124328526 . 1 . . . . A 11 TRP HH2 . 34934 1 87 . 1 . 1 12 12 LEU H H 1 8.354991473 0.00112873665 . 1 . . . . A 12 LEU H . 34934 1 88 . 1 . 1 12 12 LEU HA H 1 3.409540894 0.001153429302 . 1 . . . . A 12 LEU HA . 34934 1 89 . 1 . 1 12 12 LEU HB2 H 1 1.33089473 0.002296321338 . 2 . . . . A 12 LEU HB2 . 34934 1 90 . 1 . 1 12 12 LEU HB3 H 1 1.961735239 0.002881348667 . 2 . . . . A 12 LEU HB3 . 34934 1 91 . 1 . 1 12 12 LEU HG H 1 1.632451685 0.001978171976 . 1 . . . . A 12 LEU HG . 34934 1 92 . 1 . 1 12 12 LEU HD11 H 1 0.8324432653 0.001581977067 . 2 . . . . A 12 LEU HD11 . 34934 1 93 . 1 . 1 12 12 LEU HD12 H 1 0.8324432653 0.001581977067 . 2 . . . . A 12 LEU HD12 . 34934 1 94 . 1 . 1 12 12 LEU HD13 H 1 0.8324432653 0.001581977067 . 2 . . . . A 12 LEU HD13 . 34934 1 95 . 1 . 1 12 12 LEU HD21 H 1 0.928588438 0.003067828653 . 2 . . . . A 12 LEU HD21 . 34934 1 96 . 1 . 1 12 12 LEU HD22 H 1 0.928588438 0.003067828653 . 2 . . . . A 12 LEU HD22 . 34934 1 97 . 1 . 1 12 12 LEU HD23 H 1 0.928588438 0.003067828653 . 2 . . . . A 12 LEU HD23 . 34934 1 98 . 1 . 1 13 13 LYS H H 1 8.359669027 0.000646379019 . 1 . . . . A 13 LYS H . 34934 1 99 . 1 . 1 13 13 LYS HA H 1 3.917725761 0.001172014911 . 1 . . . . A 13 LYS HA . 34934 1 100 . 1 . 1 13 13 LYS HB2 H 1 1.917968179 0.001701639645 . 2 . . . . A 13 LYS HB2 . 34934 1 101 . 1 . 1 13 13 LYS HB3 H 1 1.917968179 0.001701639644 . 2 . . . . A 13 LYS HB3 . 34934 1 102 . 1 . 1 13 13 LYS HG2 H 1 1.426900271 0.001904525005 . 2 . . . . A 13 LYS HG2 . 34934 1 103 . 1 . 1 13 13 LYS HG3 H 1 1.56860937 0.001881036431 . 2 . . . . A 13 LYS HG3 . 34934 1 104 . 1 . 1 13 13 LYS HD2 H 1 1.630195152 0.001639268434 . 2 . . . . A 13 LYS HD2 . 34934 1 105 . 1 . 1 13 13 LYS HD3 H 1 1.630195152 0.001639268434 . 2 . . . . A 13 LYS HD3 . 34934 1 106 . 1 . 1 13 13 LYS HE2 H 1 2.937365999 0.001969919752 . 2 . . . . A 13 LYS HE2 . 34934 1 107 . 1 . 1 13 13 LYS HE3 H 1 2.937782249 0.00182057782 . 2 . . . . A 13 LYS HE3 . 34934 1 108 . 1 . 1 14 14 ASP H H 1 7.957014468 0.001788772415 . 1 . . . . A 14 ASP H . 34934 1 109 . 1 . 1 14 14 ASP HA H 1 4.539582243 0.001134905679 . 1 . . . . A 14 ASP HA . 34934 1 110 . 1 . 1 14 14 ASP HB2 H 1 2.713564823 0.001409157885 . 2 . . . . A 14 ASP HB2 . 34934 1 111 . 1 . 1 14 14 ASP HB3 H 1 2.886694414 0.00134476696 . 2 . . . . A 14 ASP HB3 . 34934 1 112 . 1 . 1 15 15 GLY H H 1 7.541727105 0.00225213621 . 1 . . . . A 15 GLY H . 34934 1 113 . 1 . 1 15 15 GLY HA2 H 1 3.475321682 0.002736352783 . 2 . . . . A 15 GLY HA2 . 34934 1 114 . 1 . 1 15 15 GLY HA3 H 1 4.143114505 0.001713184278 . 2 . . . . A 15 GLY HA3 . 34934 1 115 . 1 . 1 16 16 GLY H H 1 8.440100799 0.0007502536057 . 1 . . . . A 16 GLY H . 34934 1 116 . 1 . 1 16 16 GLY HA2 H 1 0.8875249595 0.0003686225264 . 2 . . . . A 16 GLY HA2 . 34934 1 117 . 1 . 1 16 16 GLY HA3 H 1 3.130466247 0.001311872033 . 2 . . . . A 16 GLY HA3 . 34934 1 118 . 1 . 1 17 17 PRO HA H 1 4.6107206 0.001953185867 . 1 . . . . A 17 PRO HA . 34934 1 119 . 1 . 1 17 17 PRO HB2 H 1 2.056702078 0.001197118611 . 2 . . . . A 17 PRO HB2 . 34934 1 120 . 1 . 1 17 17 PRO HB3 H 1 2.515769073 0.001190424815 . 2 . . . . A 17 PRO HB3 . 34934 1 121 . 1 . 1 17 17 PRO HG2 H 1 2.152833744 0.002459672933 . 2 . . . . A 17 PRO HG2 . 34934 1 122 . 1 . 1 17 17 PRO HG3 H 1 2.152833744 0.002459672933 . 2 . . . . A 17 PRO HG3 . 34934 1 123 . 1 . 1 17 17 PRO HD2 H 1 3.423365593 0.001756431451 . 2 . . . . A 17 PRO HD2 . 34934 1 124 . 1 . 1 17 17 PRO HD3 H 1 3.80008135 0.004186519996 . 2 . . . . A 17 PRO HD3 . 34934 1 125 . 1 . 1 18 18 SER H H 1 7.714421946 0.000237743973 . 1 . . . . A 18 SER H . 34934 1 126 . 1 . 1 18 18 SER HA H 1 4.473964427 0.0007674648395 . 1 . . . . A 18 SER HA . 34934 1 127 . 1 . 1 18 18 SER HB2 H 1 3.905026206 0.0002508592461 . 2 . . . . A 18 SER HB2 . 34934 1 128 . 1 . 1 18 18 SER HB3 H 1 3.931461258 0.000043637 . 2 . . . . A 18 SER HB3 . 34934 1 129 . 1 . 1 19 19 SER H H 1 8.191213517 0.0009649895531 . 1 . . . . A 19 SER H . 34934 1 130 . 1 . 1 19 19 SER HA H 1 4.154196557 0.0006968730032 . 1 . . . . A 19 SER HA . 34934 1 131 . 1 . 1 19 19 SER HB2 H 1 3.501871861 0.002158216631 . 2 . . . . A 19 SER HB2 . 34934 1 132 . 1 . 1 19 19 SER HB3 H 1 3.855605299 0.004152756393 . 2 . . . . A 19 SER HB3 . 34934 1 133 . 1 . 1 20 20 GLY H H 1 7.929559008 0.002002888378 . 1 . . . . A 20 GLY H . 34934 1 134 . 1 . 1 20 20 GLY HA2 H 1 3.802572664 0.00337931127 . 2 . . . . A 20 GLY HA2 . 34934 1 135 . 1 . 1 20 20 GLY HA3 H 1 4.266637428 0.0002481392404 . 2 . . . . A 20 GLY HA3 . 34934 1 136 . 1 . 1 21 21 ARG H H 1 8.134940941 0.001623923842 . 1 . . . . A 21 ARG H . 34934 1 137 . 1 . 1 21 21 ARG HA H 1 5.025892253 0.0008478330298 . 1 . . . . A 21 ARG HA . 34934 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.810073629 0.003006904624 . 2 . . . . A 21 ARG HB2 . 34934 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.88825618 0.00192015495 . 2 . . . . A 21 ARG HB3 . 34934 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.652877474 0.001814168046 . 2 . . . . A 21 ARG HG2 . 34934 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.652877474 0.001814168046 . 2 . . . . A 21 ARG HG3 . 34934 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.233876018 0.0006492319123 . 2 . . . . A 21 ARG HD2 . 34934 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.302818951 0.0004414036788 . 2 . . . . A 21 ARG HD3 . 34934 1 144 . 1 . 1 22 22 PRO HA H 1 4.749137318 0.003708439942 . 1 . . . . A 22 PRO HA . 34934 1 145 . 1 . 1 22 22 PRO HB2 H 1 1.798689073 0.003158316026 . 2 . . . . A 22 PRO HB2 . 34934 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.338949721 0.001125350258 . 2 . . . . A 22 PRO HB3 . 34934 1 147 . 1 . 1 22 22 PRO HG2 H 1 1.999801364 0.003349831965 . 2 . . . . A 22 PRO HG2 . 34934 1 148 . 1 . 1 22 22 PRO HG3 H 1 1.999801364 0.003349831965 . 2 . . . . A 22 PRO HG3 . 34934 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.665960778 0.002655127406 . 2 . . . . A 22 PRO HD2 . 34934 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.856485072 0.002051727452 . 2 . . . . A 22 PRO HD3 . 34934 1 151 . 1 . 1 23 23 PRO HA H 1 2.610967293 0.001133965333 . 1 . . . . A 23 PRO HA . 34934 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.4268398322 0.002060379631 . 2 . . . . A 23 PRO HB2 . 34934 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.371847177 0.002473269341 . 2 . . . . A 23 PRO HB3 . 34934 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.642478312 0.001286801579 . 2 . . . . A 23 PRO HG2 . 34934 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.740962722 0.0006859182157 . 2 . . . . A 23 PRO HG3 . 34934 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.514779138 0.002467168959 . 2 . . . . A 23 PRO HD2 . 34934 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.514779138 0.002467168958 . 2 . . . . A 23 PRO HD3 . 34934 1 158 . 1 . 1 24 24 PRO HA H 1 4.312224739 0.003238837995 . 1 . . . . A 24 PRO HA . 34934 1 159 . 1 . 1 24 24 PRO HB2 H 1 2.025143104 0.001299884114 . 2 . . . . A 24 PRO HB2 . 34934 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.216262046 0.00217799788 . 2 . . . . A 24 PRO HB3 . 34934 1 161 . 1 . 1 24 24 PRO HG2 H 1 1.808104373 0.001008200213 . 2 . . . . A 24 PRO HG2 . 34934 1 162 . 1 . 1 24 24 PRO HG3 H 1 1.93399099 0.003801171973 . 2 . . . . A 24 PRO HG3 . 34934 1 163 . 1 . 1 24 24 PRO HD2 H 1 2.969893579 0.002068564128 . 2 . . . . A 24 PRO HD2 . 34934 1 164 . 1 . 1 24 24 PRO HD3 H 1 3.13210816 0.004147538147 . 2 . . . . A 24 PRO HD3 . 34934 1 165 . 1 . 1 25 25 SER H H 1 7.675846653 0.001009441694 . 1 . . . . A 25 SER H . 34934 1 166 . 1 . 1 25 25 SER HA H 1 4.153122509 0.0000583767 . 1 . . . . A 25 SER HA . 34934 1 167 . 1 . 1 25 25 SER HB2 H 1 3.780207191 0.0003711185504 . 2 . . . . A 25 SER HB2 . 34934 1 168 . 1 . 1 25 25 SER HB3 H 1 3.780207191 0.0003711185504 . 2 . . . . A 25 SER HB3 . 34934 1 stop_ save_