################################### # 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 34932 _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' . . . 34932 1 2 '2D 1H-1H TOCSY' . . . 34932 1 3 '2D 1H-1H NOESY' . . . 34932 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 4.010562792 0.00201061615 . 1 . . . . A 1 GLU HA . 34932 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.056081124 0.001018717912 . 2 . . . . A 1 GLU HB2 . 34932 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.056081124 0.001018717912 . 2 . . . . A 1 GLU HB3 . 34932 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.130000142 0.0007768023398 . 2 . . . . A 1 GLU HG2 . 34932 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.353608899 0.001079732667 . 2 . . . . A 1 GLU HG3 . 34932 1 6 . 1 . 1 2 2 GLU HA H 1 4.32219634 0.001982558149 . 1 . . . . A 2 GLU HA . 34932 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.012787381 0.003488956631 . 2 . . . . A 2 GLU HB2 . 34932 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.234356536 0.001462996452 . 2 . . . . A 2 GLU HB3 . 34932 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.368110902 0.0001250166823 . 2 . . . . A 2 GLU HG2 . 34932 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.404393828 0.003570220963 . 2 . . . . A 2 GLU HG3 . 34932 1 11 . 1 . 1 3 3 GLU H H 1 9.126129891 0.0009679148769 . 1 . . . . A 3 GLU H . 34932 1 12 . 1 . 1 3 3 GLU HA H 1 4.188150514 0.001759948329 . 1 . . . . A 3 GLU HA . 34932 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.03011514 0.003776562679 . 2 . . . . A 3 GLU HB2 . 34932 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.126604346 0.003642939968 . 2 . . . . A 3 GLU HB3 . 34932 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.335927931 0.004865217455 . 2 . . . . A 3 GLU HG2 . 34932 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.352860832 0.002938335745 . 2 . . . . A 3 GLU HG3 . 34932 1 17 . 1 . 1 4 4 ALA H H 1 8.733693689 0.0007338162219 . 1 . . . . A 4 ALA H . 34932 1 18 . 1 . 1 4 4 ALA HA H 1 4.10470975 0.002921648227 . 1 . . . . A 4 ALA HA . 34932 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.455078564 0.002276063915 . 1 . . . . A 4 ALA HB1 . 34932 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.455078564 0.002276063915 . 1 . . . . A 4 ALA HB2 . 34932 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.455078564 0.002276063915 . 1 . . . . A 4 ALA HB3 . 34932 1 22 . 1 . 1 5 5 VAL H H 1 7.430962861 0.001378509569 . 1 . . . . A 5 VAL H . 34932 1 23 . 1 . 1 5 5 VAL HA H 1 3.839954042 0.001637775185 . 1 . . . . A 5 VAL HA . 34932 1 24 . 1 . 1 5 5 VAL HB H 1 2.218582775 0.000908708884 . 1 . . . . A 5 VAL HB . 34932 1 25 . 1 . 1 5 5 VAL HG11 H 1 1.037558685 0.005828209069 . 2 . . . . A 5 VAL HG11 . 34932 1 26 . 1 . 1 5 5 VAL HG12 H 1 1.037558685 0.005828209069 . 2 . . . . A 5 VAL HG12 . 34932 1 27 . 1 . 1 5 5 VAL HG13 H 1 1.037558685 0.005828209069 . 2 . . . . A 5 VAL HG13 . 34932 1 28 . 1 . 1 5 5 VAL HG21 H 1 1.050976041 0.00303105392 . 2 . . . . A 5 VAL HG21 . 34932 1 29 . 1 . 1 5 5 VAL HG22 H 1 1.050976041 0.00303105392 . 2 . . . . A 5 VAL HG22 . 34932 1 30 . 1 . 1 5 5 VAL HG23 H 1 1.050976041 0.00303105392 . 2 . . . . A 5 VAL HG23 . 34932 1 31 . 1 . 1 6 6 ARG H H 1 8.022958179 0.001684420537 . 1 . . . . A 6 ARG H . 34932 1 32 . 1 . 1 6 6 ARG HA H 1 4.006591384 0.001296187611 . 1 . . . . A 6 ARG HA . 34932 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.93652389 0.002393992109 . 2 . . . . A 6 ARG HB2 . 34932 1 34 . 1 . 1 6 6 ARG HB3 H 1 2.01001448 0.0004962087358 . 2 . . . . A 6 ARG HB3 . 34932 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.570095514 0.002670461046 . 2 . . . . A 6 ARG HG2 . 34932 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.740432042 0.005480748765 . 2 . . . . A 6 ARG HG3 . 34932 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.186032985 0.004444145731 . 2 . . . . A 6 ARG HD2 . 34932 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.303781542 0.001960349968 . 2 . . . . A 6 ARG HD3 . 34932 1 39 . 1 . 1 6 6 ARG HE H 1 7.846249707 0.0007601431362 . 1 . . . . A 6 ARG HE . 34932 1 40 . 1 . 1 7 7 LEU H H 1 8.686064283 0.001061184738 . 1 . . . . A 7 LEU H . 34932 1 41 . 1 . 1 7 7 LEU HA H 1 4.125007942 0.002752587503 . 1 . . . . A 7 LEU HA . 34932 1 42 . 1 . 1 7 7 LEU HB2 H 1 1.370505212 0.003674071964 . 2 . . . . A 7 LEU HB2 . 34932 1 43 . 1 . 1 7 7 LEU HB3 H 1 1.962267288 0.003814617852 . 2 . . . . A 7 LEU HB3 . 34932 1 44 . 1 . 1 7 7 LEU HG H 1 1.843116492 0.003813447596 . 1 . . . . A 7 LEU HG . 34932 1 45 . 1 . 1 7 7 LEU HD11 H 1 0.908556784 0.001732349479 . 2 . . . . A 7 LEU HD11 . 34932 1 46 . 1 . 1 7 7 LEU HD12 H 1 0.908556784 0.001732349479 . 2 . . . . A 7 LEU HD12 . 34932 1 47 . 1 . 1 7 7 LEU HD13 H 1 0.908556784 0.001732349479 . 2 . . . . A 7 LEU HD13 . 34932 1 48 . 1 . 1 7 7 LEU HD21 H 1 0.9394826454 0.001512042329 . 2 . . . . A 7 LEU HD21 . 34932 1 49 . 1 . 1 7 7 LEU HD22 H 1 0.9394826454 0.001512042329 . 2 . . . . A 7 LEU HD22 . 34932 1 50 . 1 . 1 7 7 LEU HD23 H 1 0.9394826454 0.001512042329 . 2 . . . . A 7 LEU HD23 . 34932 1 51 . 1 . 1 8 8 TYR H H 1 8.252470982 0.001515196412 . 1 . . . . A 8 TYR H . 34932 1 52 . 1 . 1 8 8 TYR HA H 1 4.105699604 0.002749886417 . 1 . . . . A 8 TYR HA . 34932 1 53 . 1 . 1 8 8 TYR HB2 H 1 3.163236648 0.002543814921 . 2 . . . . A 8 TYR HB2 . 34932 1 54 . 1 . 1 8 8 TYR HB3 H 1 3.27954444 0.0008292459129 . 2 . . . . A 8 TYR HB3 . 34932 1 55 . 1 . 1 8 8 TYR HD1 H 1 7.01614891 0.0006447628246 . 3 . . . . A 8 TYR HD1 . 34932 1 56 . 1 . 1 8 8 TYR HD2 H 1 7.01614891 0.0006447628246 . 3 . . . . A 8 TYR HD2 . 34932 1 57 . 1 . 1 8 8 TYR HE1 H 1 6.812929145 0.0007853818317 . 3 . . . . A 8 TYR HE1 . 34932 1 58 . 1 . 1 8 8 TYR HE2 H 1 6.812929145 0.0007853818317 . 3 . . . . A 8 TYR HE2 . 34932 1 59 . 1 . 1 9 9 ILE H H 1 8.637073181 0.0009076697309 . 1 . . . . A 9 ILE H . 34932 1 60 . 1 . 1 9 9 ILE HA H 1 3.693114343 0.001746096281 . 1 . . . . A 9 ILE HA . 34932 1 61 . 1 . 1 9 9 ILE HB H 1 2.043765267 0.003348479604 . 1 . . . . A 9 ILE HB . 34932 1 62 . 1 . 1 9 9 ILE HG12 H 1 1.364929508 0.001174199853 . 2 . . . . A 9 ILE HG12 . 34932 1 63 . 1 . 1 9 9 ILE HG13 H 1 1.930719383 0.002084367602 . 2 . . . . A 9 ILE HG13 . 34932 1 64 . 1 . 1 9 9 ILE HG21 H 1 0.9606426011 0.001255461001 . 1 . . . . A 9 ILE HG21 . 34932 1 65 . 1 . 1 9 9 ILE HG22 H 1 0.9606426011 0.001255461001 . 1 . . . . A 9 ILE HG22 . 34932 1 66 . 1 . 1 9 9 ILE HG23 H 1 0.9606426011 0.001255461001 . 1 . . . . A 9 ILE HG23 . 34932 1 67 . 1 . 1 9 9 ILE HD11 H 1 0.9242381732 0.00257573919 . 1 . . . . A 9 ILE HD11 . 34932 1 68 . 1 . 1 9 9 ILE HD12 H 1 0.9242381732 0.00257573919 . 1 . . . . A 9 ILE HD12 . 34932 1 69 . 1 . 1 9 9 ILE HD13 H 1 0.9242381732 0.00257573919 . 1 . . . . A 9 ILE HD13 . 34932 1 70 . 1 . 1 10 10 GLN H H 1 8.032905348 0.003210790715 . 1 . . . . A 10 GLN H . 34932 1 71 . 1 . 1 10 10 GLN HA H 1 3.913902658 0.001498795735 . 1 . . . . A 10 GLN HA . 34932 1 72 . 1 . 1 10 10 GLN HB2 H 1 2.118177327 0.0009839517591 . 2 . . . . A 10 GLN HB2 . 34932 1 73 . 1 . 1 10 10 GLN HB3 H 1 2.241412221 0.003485341993 . 2 . . . . A 10 GLN HB3 . 34932 1 74 . 1 . 1 10 10 GLN HG2 H 1 2.360481679 0.0036406364 . 2 . . . . A 10 GLN HG2 . 34932 1 75 . 1 . 1 10 10 GLN HG3 H 1 2.436355439 0.00318084194 . 2 . . . . A 10 GLN HG3 . 34932 1 76 . 1 . 1 10 10 GLN HE21 H 1 7.110158251 0.0007415316096 . 2 . . . . A 10 GLN HE21 . 34932 1 77 . 1 . 1 10 10 GLN HE22 H 1 7.943959014 0.0009833864944 . 2 . . . . A 10 GLN HE22 . 34932 1 78 . 1 . 1 11 11 TRP H H 1 8.079855528 0.001851579776 . 1 . . . . A 11 TRP H . 34932 1 79 . 1 . 1 11 11 TRP HA H 1 4.246462645 0.0007440230572 . 1 . . . . A 11 TRP HA . 34932 1 80 . 1 . 1 11 11 TRP HB2 H 1 3.152320052 0.00181260385 . 2 . . . . A 11 TRP HB2 . 34932 1 81 . 1 . 1 11 11 TRP HB3 H 1 3.5921213 0.001501269301 . 2 . . . . A 11 TRP HB3 . 34932 1 82 . 1 . 1 11 11 TRP HD1 H 1 6.978211693 0.0003249551649 . 1 . . . . A 11 TRP HD1 . 34932 1 83 . 1 . 1 11 11 TRP HE1 H 1 9.707359491 0.000632170965 . 1 . . . . A 11 TRP HE1 . 34932 1 84 . 1 . 1 11 11 TRP HE3 H 1 7.011551081 0.002021272834 . 1 . . . . A 11 TRP HE3 . 34932 1 85 . 1 . 1 11 11 TRP HZ2 H 1 7.177632233 0.0006820151247 . 1 . . . . A 11 TRP HZ2 . 34932 1 86 . 1 . 1 11 11 TRP HZ3 H 1 7.140089413 0.001155408733 . 1 . . . . A 11 TRP HZ3 . 34932 1 87 . 1 . 1 11 11 TRP HH2 H 1 7.217832294 0.001108337947 . 1 . . . . A 11 TRP HH2 . 34932 1 88 . 1 . 1 12 12 LEU H H 1 8.413585904 0.001914139958 . 1 . . . . A 12 LEU H . 34932 1 89 . 1 . 1 12 12 LEU HA H 1 3.386236217 0.002264669072 . 1 . . . . A 12 LEU HA . 34932 1 90 . 1 . 1 12 12 LEU HB2 H 1 1.312424311 0.002485508609 . 2 . . . . A 12 LEU HB2 . 34932 1 91 . 1 . 1 12 12 LEU HB3 H 1 2.018714331 0.002261139094 . 2 . . . . A 12 LEU HB3 . 34932 1 92 . 1 . 1 12 12 LEU HG H 1 1.664729929 0.002117121336 . 1 . . . . A 12 LEU HG . 34932 1 93 . 1 . 1 12 12 LEU HD11 H 1 0.8579579315 0.001297992723 . 2 . . . . A 12 LEU HD11 . 34932 1 94 . 1 . 1 12 12 LEU HD12 H 1 0.8579579315 0.001297992723 . 2 . . . . A 12 LEU HD12 . 34932 1 95 . 1 . 1 12 12 LEU HD13 H 1 0.8579579315 0.001297992723 . 2 . . . . A 12 LEU HD13 . 34932 1 96 . 1 . 1 12 12 LEU HD21 H 1 0.9810607232 0.003090677546 . 2 . . . . A 12 LEU HD21 . 34932 1 97 . 1 . 1 12 12 LEU HD22 H 1 0.9810607232 0.003090677546 . 2 . . . . A 12 LEU HD22 . 34932 1 98 . 1 . 1 12 12 LEU HD23 H 1 0.9810607232 0.003090677546 . 2 . . . . A 12 LEU HD23 . 34932 1 99 . 1 . 1 13 13 LYS H H 1 8.393287895 0.002003264728 . 1 . . . . A 13 LYS H . 34932 1 100 . 1 . 1 13 13 LYS HA H 1 3.914853952 0.0005651151262 . 1 . . . . A 13 LYS HA . 34932 1 101 . 1 . 1 13 13 LYS HB2 H 1 1.943278991 0.001772586635 . 2 . . . . A 13 LYS HB2 . 34932 1 102 . 1 . 1 13 13 LYS HB3 H 1 1.943278991 0.001772586635 . 2 . . . . A 13 LYS HB3 . 34932 1 103 . 1 . 1 13 13 LYS HG2 H 1 1.432938263 0.002591017769 . 2 . . . . A 13 LYS HG2 . 34932 1 104 . 1 . 1 13 13 LYS HG3 H 1 1.557314538 0.003331568722 . 2 . . . . A 13 LYS HG3 . 34932 1 105 . 1 . 1 13 13 LYS HD2 H 1 1.638157605 0.003599083455 . 2 . . . . A 13 LYS HD2 . 34932 1 106 . 1 . 1 13 13 LYS HD3 H 1 1.638157605 0.003599083455 . 2 . . . . A 13 LYS HD3 . 34932 1 107 . 1 . 1 13 13 LYS HE2 H 1 2.931615251 0.001726252737 . 2 . . . . A 13 LYS HE2 . 34932 1 108 . 1 . 1 13 13 LYS HE3 H 1 2.932431484 0.002824665411 . 2 . . . . A 13 LYS HE3 . 34932 1 109 . 1 . 1 14 14 ASP H H 1 8.061591768 0.002392589582 . 1 . . . . A 14 ASP H . 34932 1 110 . 1 . 1 14 14 ASP HA H 1 4.504185521 0.0003887206923 . 1 . . . . A 14 ASP HA . 34932 1 111 . 1 . 1 14 14 ASP HB2 H 1 2.745212963 0.002226661365 . 2 . . . . A 14 ASP HB2 . 34932 1 112 . 1 . 1 14 14 ASP HB3 H 1 2.941125418 0.001914976869 . 2 . . . . A 14 ASP HB3 . 34932 1 113 . 1 . 1 15 15 GLY H H 1 7.554387222 0.001335596562 . 1 . . . . A 15 GLY H . 34932 1 114 . 1 . 1 15 15 GLY HA2 H 1 3.441961237 0.0006208404335 . 2 . . . . A 15 GLY HA2 . 34932 1 115 . 1 . 1 15 15 GLY HA3 H 1 4.176394608 0.002583849719 . 2 . . . . A 15 GLY HA3 . 34932 1 116 . 1 . 1 16 16 GLY H H 1 8.559746273 0.001336609758 . 1 . . . . A 16 GLY H . 34932 1 117 . 1 . 1 16 16 GLY HA2 H 1 0.5749734004 0.001571100156 . 2 . . . . A 16 GLY HA2 . 34932 1 118 . 1 . 1 16 16 GLY HA3 H 1 3.157323354 0.002121978982 . 2 . . . . A 16 GLY HA3 . 34932 1 119 . 1 . 1 17 17 PRO HA H 1 4.668392888 0.001932407293 . 1 . . . . A 17 PRO HA . 34932 1 120 . 1 . 1 17 17 PRO HB2 H 1 2.08176819 0.002413882956 . 2 . . . . A 17 PRO HB2 . 34932 1 121 . 1 . 1 17 17 PRO HB3 H 1 2.541243598 0.001923453283 . 2 . . . . A 17 PRO HB3 . 34932 1 122 . 1 . 1 17 17 PRO HG2 H 1 2.185560777 0.0008630993531 . 2 . . . . A 17 PRO HG2 . 34932 1 123 . 1 . 1 17 17 PRO HG3 H 1 2.18569259 0.0008950790717 . 2 . . . . A 17 PRO HG3 . 34932 1 124 . 1 . 1 17 17 PRO HD2 H 1 3.516514231 0.001629303987 . 2 . . . . A 17 PRO HD2 . 34932 1 125 . 1 . 1 17 17 PRO HD3 H 1 3.854653884 0.003062513107 . 2 . . . . A 17 PRO HD3 . 34932 1 126 . 1 . 1 18 18 SER H H 1 7.742506935 0.001096081882 . 1 . . . . A 18 SER H . 34932 1 127 . 1 . 1 18 18 SER HA H 1 4.502984118 0.001177721632 . 1 . . . . A 18 SER HA . 34932 1 128 . 1 . 1 18 18 SER HB2 H 1 3.921800712 0.0007473336302 . 2 . . . . A 18 SER HB2 . 34932 1 129 . 1 . 1 18 18 SER HB3 H 1 3.941761096 0.01353706314 . 2 . . . . A 18 SER HB3 . 34932 1 130 . 1 . 1 19 19 SER H H 1 8.274765122 0.00157458974 . 1 . . . . A 19 SER H . 34932 1 131 . 1 . 1 19 19 SER HA H 1 4.11824212 0.001690936406 . 1 . . . . A 19 SER HA . 34932 1 132 . 1 . 1 19 19 SER HB2 H 1 3.447858643 0.001448276003 . 2 . . . . A 19 SER HB2 . 34932 1 133 . 1 . 1 19 19 SER HB3 H 1 3.837317049 0.003881806035 . 2 . . . . A 19 SER HB3 . 34932 1 134 . 1 . 1 19 19 SER HG H 1 4.64957231 0.002835579204 . 1 . . . . A 19 SER HG . 34932 1 135 . 1 . 1 20 20 GLY H H 1 8.016886684 0.001782485053 . 1 . . . . A 20 GLY H . 34932 1 136 . 1 . 1 20 20 GLY HA2 H 1 3.790655804 0.002764771622 . 2 . . . . A 20 GLY HA2 . 34932 1 137 . 1 . 1 20 20 GLY HA3 H 1 4.311963723 0.00107738198 . 2 . . . . A 20 GLY HA3 . 34932 1 138 . 1 . 1 21 21 ARG H H 1 8.214293799 0.002174638768 . 1 . . . . A 21 ARG H . 34932 1 139 . 1 . 1 21 21 ARG HA H 1 5.106333343 0.001370653896 . 1 . . . . A 21 ARG HA . 34932 1 140 . 1 . 1 21 21 ARG HB2 H 1 1.835245829 0.002329409883 . 2 . . . . A 21 ARG HB2 . 34932 1 141 . 1 . 1 21 21 ARG HB3 H 1 1.927703156 0.001693701865 . 2 . . . . A 21 ARG HB3 . 34932 1 142 . 1 . 1 21 21 ARG HG2 H 1 1.655374329 0.001707805361 . 2 . . . . A 21 ARG HG2 . 34932 1 143 . 1 . 1 21 21 ARG HG3 H 1 1.791810287 0.001518962479 . 2 . . . . A 21 ARG HG3 . 34932 1 144 . 1 . 1 21 21 ARG HD2 H 1 3.220647839 0.00247119938 . 2 . . . . A 21 ARG HD2 . 34932 1 145 . 1 . 1 21 21 ARG HD3 H 1 3.318462436 0.002449864357 . 2 . . . . A 21 ARG HD3 . 34932 1 146 . 1 . 1 21 21 ARG HE H 1 7.789131712 0.001683810424 . 1 . . . . A 21 ARG HE . 34932 1 147 . 1 . 1 21 21 ARG HH11 H 1 7.215454217 0.001040644186 . 2 . . . . A 21 ARG HH11 . 34932 1 148 . 1 . 1 21 21 ARG HH12 H 1 7.215454217 0.001040644183 . 2 . . . . A 21 ARG HH12 . 34932 1 149 . 1 . 1 22 22 PRO HA H 1 4.784678766 0.0008752588367 . 1 . . . . A 22 PRO HA . 34932 1 150 . 1 . 1 22 22 PRO HB2 H 1 1.788442974 0.00262905643 . 2 . . . . A 22 PRO HB2 . 34932 1 151 . 1 . 1 22 22 PRO HB3 H 1 2.367293737 0.001322079228 . 2 . . . . A 22 PRO HB3 . 34932 1 152 . 1 . 1 22 22 PRO HG2 H 1 1.996749273 0.00393012619 . 2 . . . . A 22 PRO HG2 . 34932 1 153 . 1 . 1 22 22 PRO HG3 H 1 1.997650025 0.003620551248 . 2 . . . . A 22 PRO HG3 . 34932 1 154 . 1 . 1 22 22 PRO HD2 H 1 3.682436532 0.001610635198 . 2 . . . . A 22 PRO HD2 . 34932 1 155 . 1 . 1 22 22 PRO HD3 H 1 3.868594755 0.00426410888 . 2 . . . . A 22 PRO HD3 . 34932 1 156 . 1 . 1 23 23 PRO HA H 1 2.397200566 0.002128604769 . 1 . . . . A 23 PRO HA . 34932 1 157 . 1 . 1 23 23 PRO HB2 H 1 0.222734053 0.002791995431 . 2 . . . . A 23 PRO HB2 . 34932 1 158 . 1 . 1 23 23 PRO HB3 H 1 1.349374468 0.0034595949 . 2 . . . . A 23 PRO HB3 . 34932 1 159 . 1 . 1 23 23 PRO HG2 H 1 1.659928551 0.001174373339 . 2 . . . . A 23 PRO HG2 . 34932 1 160 . 1 . 1 23 23 PRO HG3 H 1 1.719414855 0.003413050735 . 2 . . . . A 23 PRO HG3 . 34932 1 161 . 1 . 1 23 23 PRO HD2 H 1 3.526392086 0.002258830643 . 2 . . . . A 23 PRO HD2 . 34932 1 162 . 1 . 1 23 23 PRO HD3 H 1 3.526392086 0.002258830643 . 2 . . . . A 23 PRO HD3 . 34932 1 163 . 1 . 1 24 24 PRO HA H 1 4.3048066 0.00282144292 . 1 . . . . A 24 PRO HA . 34932 1 164 . 1 . 1 24 24 PRO HB2 H 1 2.073556118 0.003021134247 . 2 . . . . A 24 PRO HB2 . 34932 1 165 . 1 . 1 24 24 PRO HB3 H 1 2.236616545 0.001321667585 . 2 . . . . A 24 PRO HB3 . 34932 1 166 . 1 . 1 24 24 PRO HG2 H 1 1.796623358 0.003649818066 . 2 . . . . A 24 PRO HG2 . 34932 1 167 . 1 . 1 24 24 PRO HG3 H 1 1.977243658 0.002845128727 . 2 . . . . A 24 PRO HG3 . 34932 1 168 . 1 . 1 24 24 PRO HD2 H 1 2.947486502 0.001903915914 . 2 . . . . A 24 PRO HD2 . 34932 1 169 . 1 . 1 24 24 PRO HD3 H 1 3.121665132 0.005094147731 . 2 . . . . A 24 PRO HD3 . 34932 1 170 . 1 . 1 25 25 SER H H 1 7.798687037 0.001076859257 . 1 . . . . A 25 SER H . 34932 1 171 . 1 . 1 25 25 SER HA H 1 4.13727117 0.0004615041152 . 1 . . . . A 25 SER HA . 34932 1 172 . 1 . 1 25 25 SER HB2 H 1 3.788752407 0.001627883862 . 2 . . . . A 25 SER HB2 . 34932 1 173 . 1 . 1 25 25 SER HB3 H 1 3.788752407 0.001627883862 . 2 . . . . A 25 SER HB3 . 34932 1 stop_ save_