################################### # 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 34937 _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' . . . 34937 1 2 '2D 1H-1H TOCSY' . . . 34937 1 3 '2D 1H-1H NOESY' . . . 34937 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 4.040098473 0.0002755503582 . 1 . . . . A 1 GLU HA . 34937 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.08261713 0.0009144225851 . 2 . . . . A 1 GLU HB2 . 34937 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.08261713 0.0009144225851 . 2 . . . . A 1 GLU HB3 . 34937 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.363404256 0.000086468 . 2 . . . . A 1 GLU HG2 . 34937 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.364247398 0.001194470923 . 2 . . . . A 1 GLU HG3 . 34937 1 6 . 1 . 1 2 2 GLU HA H 1 4.334482488 0.001458668747 . 1 . . . . A 2 GLU HA . 34937 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.017259288 0.001785123633 . 2 . . . . A 2 GLU HB2 . 34937 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.241186096 0.001593378974 . 2 . . . . A 2 GLU HB3 . 34937 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.380568977 0.004713169986 . 2 . . . . A 2 GLU HG2 . 34937 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.416564252 0.001158411437 . 2 . . . . A 2 GLU HG3 . 34937 1 11 . 1 . 1 3 3 GLU H H 1 9.13146479 0.0006544359065 . 1 . . . . A 3 GLU H . 34937 1 12 . 1 . 1 3 3 GLU HA H 1 4.205679539 0.001570043721 . 1 . . . . A 3 GLU HA . 34937 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.031233482 0.00381151394 . 2 . . . . A 3 GLU HB2 . 34937 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.132061017 0.001229379827 . 2 . . . . A 3 GLU HB3 . 34937 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.355650689 0.0038046083 . 2 . . . . A 3 GLU HG2 . 34937 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.355680522 0.004348097221 . 2 . . . . A 3 GLU HG3 . 34937 1 17 . 1 . 1 4 4 ALA H H 1 8.751747998 0.0007029238608 . 1 . . . . A 4 ALA H . 34937 1 18 . 1 . 1 4 4 ALA HA H 1 4.107118386 0.002230022604 . 1 . . . . A 4 ALA HA . 34937 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.457452449 0.001721998588 . 1 . . . . A 4 ALA HB1 . 34937 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.457452449 0.001721998588 . 1 . . . . A 4 ALA HB2 . 34937 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.457452449 0.001721998588 . 1 . . . . A 4 ALA HB3 . 34937 1 22 . 1 . 1 5 5 VAL H H 1 7.432805113 0.001410148953 . 1 . . . . A 5 VAL H . 34937 1 23 . 1 . 1 5 5 VAL HA H 1 3.851128143 0.002310971411 . 1 . . . . A 5 VAL HA . 34937 1 24 . 1 . 1 5 5 VAL HB H 1 2.225827688 0.0033973048 . 1 . . . . A 5 VAL HB . 34937 1 25 . 1 . 1 5 5 VAL HG11 H 1 1.044052013 0.004371745842 . 2 . . . . A 5 VAL HG11 . 34937 1 26 . 1 . 1 5 5 VAL HG12 H 1 1.044052013 0.004371745842 . 2 . . . . A 5 VAL HG12 . 34937 1 27 . 1 . 1 5 5 VAL HG13 H 1 1.044052013 0.004371745842 . 2 . . . . A 5 VAL HG13 . 34937 1 28 . 1 . 1 5 5 VAL HG21 H 1 1.045177894 0.004502821521 . 2 . . . . A 5 VAL HG21 . 34937 1 29 . 1 . 1 5 5 VAL HG22 H 1 1.045177894 0.004502821521 . 2 . . . . A 5 VAL HG22 . 34937 1 30 . 1 . 1 5 5 VAL HG23 H 1 1.045177894 0.004502821521 . 2 . . . . A 5 VAL HG23 . 34937 1 31 . 1 . 1 6 6 ARG H H 1 8.033149853 0.0004153276968 . 1 . . . . A 6 ARG H . 34937 1 32 . 1 . 1 6 6 ARG HA H 1 4.020997538 0.002721093395 . 1 . . . . A 6 ARG HA . 34937 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.927988893 0.0008747452122 . 2 . . . . A 6 ARG HB2 . 34937 1 34 . 1 . 1 6 6 ARG HB3 H 1 2.022360199 0.002049498162 . 2 . . . . A 6 ARG HB3 . 34937 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.567080724 0.002006305199 . 2 . . . . A 6 ARG HG2 . 34937 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.73492267 0.002347791322 . 2 . . . . A 6 ARG HG3 . 34937 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.189250581 0.002319344974 . 2 . . . . A 6 ARG HD2 . 34937 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.324245718 0.002387371866 . 2 . . . . A 6 ARG HD3 . 34937 1 39 . 1 . 1 6 6 ARG HE H 1 7.876849021 0.001093270338 . 1 . . . . A 6 ARG HE . 34937 1 40 . 1 . 1 7 7 LEU H H 1 8.670631938 0.001493426408 . 1 . . . . A 7 LEU H . 34937 1 41 . 1 . 1 7 7 LEU HA H 1 4.130411601 0.002250141301 . 1 . . . . A 7 LEU HA . 34937 1 42 . 1 . 1 7 7 LEU HB2 H 1 1.386372959 0.001358703368 . 2 . . . . A 7 LEU HB2 . 34937 1 43 . 1 . 1 7 7 LEU HB3 H 1 1.95794013 0.005522102224 . 2 . . . . A 7 LEU HB3 . 34937 1 44 . 1 . 1 7 7 LEU HG H 1 1.847087234 0.005603606848 . 1 . . . . A 7 LEU HG . 34937 1 45 . 1 . 1 7 7 LEU HD11 H 1 0.9027626209 0.001867026029 . 2 . . . . A 7 LEU HD11 . 34937 1 46 . 1 . 1 7 7 LEU HD12 H 1 0.9027626209 0.001867026029 . 2 . . . . A 7 LEU HD12 . 34937 1 47 . 1 . 1 7 7 LEU HD13 H 1 0.9027626209 0.001867026029 . 2 . . . . A 7 LEU HD13 . 34937 1 48 . 1 . 1 7 7 LEU HD21 H 1 0.9380923904 0.001651527195 . 2 . . . . A 7 LEU HD21 . 34937 1 49 . 1 . 1 7 7 LEU HD22 H 1 0.9380923904 0.001651527195 . 2 . . . . A 7 LEU HD22 . 34937 1 50 . 1 . 1 7 7 LEU HD23 H 1 0.9380923904 0.001651527195 . 2 . . . . A 7 LEU HD23 . 34937 1 51 . 1 . 1 8 8 TYR H H 1 8.210398365 0.001147833218 . 1 . . . . A 8 TYR H . 34937 1 52 . 1 . 1 8 8 TYR HA H 1 4.136568025 0.002964807972 . 1 . . . . A 8 TYR HA . 34937 1 53 . 1 . 1 8 8 TYR HB2 H 1 3.193137904 0.001545661426 . 2 . . . . A 8 TYR HB2 . 34937 1 54 . 1 . 1 8 8 TYR HB3 H 1 3.298835764 0.002814540756 . 2 . . . . A 8 TYR HB3 . 34937 1 55 . 1 . 1 8 8 TYR HD1 H 1 7.052195043 0.001509618804 . 3 . . . . A 8 TYR HD1 . 34937 1 56 . 1 . 1 8 8 TYR HD2 H 1 7.052195043 0.001509618804 . 3 . . . . A 8 TYR HD2 . 34937 1 57 . 1 . 1 8 8 TYR HE1 H 1 6.8383751 0.002093639824 . 3 . . . . A 8 TYR HE1 . 34937 1 58 . 1 . 1 8 8 TYR HE2 H 1 6.8383751 0.002093639824 . 3 . . . . A 8 TYR HE2 . 34937 1 59 . 1 . 1 9 9 ILE H H 1 8.654016139 0.0007174584921 . 1 . . . . A 9 ILE H . 34937 1 60 . 1 . 1 9 9 ILE HA H 1 3.70826987 0.002836367721 . 1 . . . . A 9 ILE HA . 34937 1 61 . 1 . 1 9 9 ILE HB H 1 2.055380358 0.00195872839 . 1 . . . . A 9 ILE HB . 34937 1 62 . 1 . 1 9 9 ILE HG12 H 1 1.383529636 0.00278671966 . 2 . . . . A 9 ILE HG12 . 34937 1 63 . 1 . 1 9 9 ILE HG13 H 1 1.936751248 0.001290735739 . 2 . . . . A 9 ILE HG13 . 34937 1 64 . 1 . 1 9 9 ILE HG21 H 1 0.9885924112 0.002531255358 . 1 . . . . A 9 ILE HG21 . 34937 1 65 . 1 . 1 9 9 ILE HG22 H 1 0.9885924112 0.002531255358 . 1 . . . . A 9 ILE HG22 . 34937 1 66 . 1 . 1 9 9 ILE HG23 H 1 0.9885924112 0.002531255358 . 1 . . . . A 9 ILE HG23 . 34937 1 67 . 1 . 1 9 9 ILE HD11 H 1 0.9340815516 0.002302975594 . 1 . . . . A 9 ILE HD11 . 34937 1 68 . 1 . 1 9 9 ILE HD12 H 1 0.9340815516 0.002302975594 . 1 . . . . A 9 ILE HD12 . 34937 1 69 . 1 . 1 9 9 ILE HD13 H 1 0.9340815516 0.002302975594 . 1 . . . . A 9 ILE HD13 . 34937 1 70 . 1 . 1 10 10 GLN H H 1 7.993940953 0.0009076440501 . 1 . . . . A 10 GLN H . 34937 1 71 . 1 . 1 10 10 GLN HA H 1 4.056914764 0.001748508812 . 1 . . . . A 10 GLN HA . 34937 1 72 . 1 . 1 10 10 GLN HB2 H 1 2.135202639 0.00390711979 . 2 . . . . A 10 GLN HB2 . 34937 1 73 . 1 . 1 10 10 GLN HB3 H 1 2.135217172 0.003403870947 . 2 . . . . A 10 GLN HB3 . 34937 1 74 . 1 . 1 10 10 GLN HG2 H 1 2.225939233 0.001754065832 . 2 . . . . A 10 GLN HG2 . 34937 1 75 . 1 . 1 10 10 GLN HG3 H 1 2.424102528 0.001188898931 . 2 . . . . A 10 GLN HG3 . 34937 1 76 . 1 . 1 10 10 GLN HE21 H 1 7.00714004 0.001985108749 . 2 . . . . A 10 GLN HE21 . 34937 1 77 . 1 . 1 10 10 GLN HE22 H 1 8.243890745 0.0008515162193 . 2 . . . . A 10 GLN HE22 . 34937 1 78 . 1 . 1 11 11 TRP H H 1 8.012839588 0.00210991181 . 1 . . . . A 11 TRP H . 34937 1 79 . 1 . 1 11 11 TRP HA H 1 4.192462988 0.004070096718 . 1 . . . . A 11 TRP HA . 34937 1 80 . 1 . 1 11 11 TRP HB2 H 1 3.142664805 0.002054012381 . 2 . . . . A 11 TRP HB2 . 34937 1 81 . 1 . 1 11 11 TRP HB3 H 1 3.58632599 0.002066812168 . 2 . . . . A 11 TRP HB3 . 34937 1 82 . 1 . 1 11 11 TRP HD1 H 1 6.99888981 0.0009136020879 . 1 . . . . A 11 TRP HD1 . 34937 1 83 . 1 . 1 11 11 TRP HE1 H 1 9.663704948 0.0004001332211 . 1 . . . . A 11 TRP HE1 . 34937 1 84 . 1 . 1 11 11 TRP HE3 H 1 7.051843137 0.001619644877 . 1 . . . . A 11 TRP HE3 . 34937 1 85 . 1 . 1 11 11 TRP HZ2 H 1 7.211398674 0.001293031526 . 1 . . . . A 11 TRP HZ2 . 34937 1 86 . 1 . 1 11 11 TRP HZ3 H 1 7.128897452 0.001789401096 . 1 . . . . A 11 TRP HZ3 . 34937 1 87 . 1 . 1 11 11 TRP HH2 H 1 7.218797215 0.003408990027 . 1 . . . . A 11 TRP HH2 . 34937 1 88 . 1 . 1 12 12 LEU H H 1 8.53692955 0.0006460450415 . 1 . . . . A 12 LEU H . 34937 1 89 . 1 . 1 12 12 LEU HA H 1 3.361045268 0.0009138606627 . 1 . . . . A 12 LEU HA . 34937 1 90 . 1 . 1 12 12 LEU HB2 H 1 1.344876041 0.002278367369 . 2 . . . . A 12 LEU HB2 . 34937 1 91 . 1 . 1 12 12 LEU HB3 H 1 1.996124477 0.00309489487 . 2 . . . . A 12 LEU HB3 . 34937 1 92 . 1 . 1 12 12 LEU HG H 1 1.651474778 0.003540642781 . 1 . . . . A 12 LEU HG . 34937 1 93 . 1 . 1 12 12 LEU HD11 H 1 0.8462585549 0.001640227884 . 2 . . . . A 12 LEU HD11 . 34937 1 94 . 1 . 1 12 12 LEU HD12 H 1 0.8462585549 0.001640227884 . 2 . . . . A 12 LEU HD12 . 34937 1 95 . 1 . 1 12 12 LEU HD13 H 1 0.8462585549 0.001640227884 . 2 . . . . A 12 LEU HD13 . 34937 1 96 . 1 . 1 12 12 LEU HD21 H 1 0.9742128027 0.001139630952 . 2 . . . . A 12 LEU HD21 . 34937 1 97 . 1 . 1 12 12 LEU HD22 H 1 0.9742128027 0.001139630952 . 2 . . . . A 12 LEU HD22 . 34937 1 98 . 1 . 1 12 12 LEU HD23 H 1 0.9742128027 0.001139630952 . 2 . . . . A 12 LEU HD23 . 34937 1 99 . 1 . 1 13 13 LYS H H 1 8.386061795 0.0008283977388 . 1 . . . . A 13 LYS H . 34937 1 100 . 1 . 1 13 13 LYS HA H 1 3.970000868 0.001441838887 . 1 . . . . A 13 LYS HA . 34937 1 101 . 1 . 1 13 13 LYS HB2 H 1 2.012332117 0.002652436692 . 2 . . . . A 13 LYS HB2 . 34937 1 102 . 1 . 1 13 13 LYS HB3 H 1 2.012332117 0.002652436691 . 2 . . . . A 13 LYS HB3 . 34937 1 103 . 1 . 1 13 13 LYS HG2 H 1 1.438527557 0.002381366962 . 2 . . . . A 13 LYS HG2 . 34937 1 104 . 1 . 1 13 13 LYS HG3 H 1 1.583385353 0.0008667956787 . 2 . . . . A 13 LYS HG3 . 34937 1 105 . 1 . 1 13 13 LYS HD2 H 1 1.682331574 0.001274197781 . 2 . . . . A 13 LYS HD2 . 34937 1 106 . 1 . 1 13 13 LYS HD3 H 1 1.682331574 0.001274197781 . 2 . . . . A 13 LYS HD3 . 34937 1 107 . 1 . 1 13 13 LYS HE2 H 1 2.955750069 0.001016461226 . 2 . . . . A 13 LYS HE2 . 34937 1 108 . 1 . 1 14 14 GLU H H 1 7.668623525 0.0008416455583 . 1 . . . . A 14 GLU H . 34937 1 109 . 1 . 1 14 14 GLU HA H 1 4.154661947 0.0005674264886 . 1 . . . . A 14 GLU HA . 34937 1 110 . 1 . 1 14 14 GLU HB2 H 1 2.007004276 0.002445682083 . 2 . . . . A 14 GLU HB2 . 34937 1 111 . 1 . 1 14 14 GLU HB3 H 1 2.007971691 0.003432919291 . 2 . . . . A 14 GLU HB3 . 34937 1 112 . 1 . 1 14 14 GLU HG2 H 1 2.263873295 0.006882462679 . 2 . . . . A 14 GLU HG2 . 34937 1 113 . 1 . 1 14 14 GLU HG3 H 1 2.581661992 0.001132097966 . 2 . . . . A 14 GLU HG3 . 34937 1 114 . 1 . 1 15 15 GLY H H 1 7.573255209 0.001364201461 . 1 . . . . A 15 GLY H . 34937 1 115 . 1 . 1 15 15 GLY HA2 H 1 3.474411898 0.001104687835 . 2 . . . . A 15 GLY HA2 . 34937 1 116 . 1 . 1 15 15 GLY HA3 H 1 4.183637126 0.003460870973 . 2 . . . . A 15 GLY HA3 . 34937 1 117 . 1 . 1 16 16 GLY H H 1 8.309583675 0.001747446704 . 1 . . . . A 16 GLY H . 34937 1 118 . 1 . 1 16 16 GLY HA2 H 1 0.8215356351 0.005914692638 . 2 . . . . A 16 GLY HA2 . 34937 1 119 . 1 . 1 16 16 GLY HA3 H 1 3.090138904 0.002143106053 . 2 . . . . A 16 GLY HA3 . 34937 1 120 . 1 . 1 17 17 PRO HA H 1 4.641259934 0.001220533677 . 1 . . . . A 17 PRO HA . 34937 1 121 . 1 . 1 17 17 PRO HB2 H 1 2.080335706 0.001776149713 . 2 . . . . A 17 PRO HB2 . 34937 1 122 . 1 . 1 17 17 PRO HB3 H 1 2.531409199 0.0006765358363 . 2 . . . . A 17 PRO HB3 . 34937 1 123 . 1 . 1 17 17 PRO HG2 H 1 2.173463359 0.0008218607227 . 2 . . . . A 17 PRO HG2 . 34937 1 124 . 1 . 1 17 17 PRO HG3 H 1 2.173463359 0.0008218607216 . 2 . . . . A 17 PRO HG3 . 34937 1 125 . 1 . 1 17 17 PRO HD2 H 1 3.425547455 0.002236932659 . 2 . . . . A 17 PRO HD2 . 34937 1 126 . 1 . 1 17 17 PRO HD3 H 1 3.825157816 0.001450142498 . 2 . . . . A 17 PRO HD3 . 34937 1 127 . 1 . 1 18 18 SER H H 1 7.813607591 0.001544907311 . 1 . . . . A 18 SER H . 34937 1 128 . 1 . 1 18 18 SER HA H 1 4.477713417 0.001145964175 . 1 . . . . A 18 SER HA . 34937 1 129 . 1 . 1 18 18 SER HB2 H 1 3.941265856 0.00180414109 . 2 . . . . A 18 SER HB2 . 34937 1 130 . 1 . 1 18 18 SER HB3 H 1 3.941265856 0.00180414109 . 2 . . . . A 18 SER HB3 . 34937 1 131 . 1 . 1 19 19 SER H H 1 8.229562998 0.0005080244824 . 1 . . . . A 19 SER H . 34937 1 132 . 1 . 1 19 19 SER HA H 1 4.207996134 0.0003234236893 . 1 . . . . A 19 SER HA . 34937 1 133 . 1 . 1 19 19 SER HB2 H 1 3.549072756 0.00497574978 . 2 . . . . A 19 SER HB2 . 34937 1 134 . 1 . 1 19 19 SER HB3 H 1 3.926749683 0.003788606813 . 2 . . . . A 19 SER HB3 . 34937 1 135 . 1 . 1 20 20 GLY H H 1 8.020691035 0.001059355402 . 1 . . . . A 20 GLY H . 34937 1 136 . 1 . 1 20 20 GLY HA2 H 1 3.832031465 0.00278542313 . 2 . . . . A 20 GLY HA2 . 34937 1 137 . 1 . 1 20 20 GLY HA3 H 1 4.277664549 0.00009178 . 2 . . . . A 20 GLY HA3 . 34937 1 138 . 1 . 1 21 21 ARG H H 1 8.139034536 0.001539295189 . 1 . . . . A 21 ARG H . 34937 1 139 . 1 . 1 21 21 ARG HA H 1 5.02175393 0.001457406183 . 1 . . . . A 21 ARG HA . 34937 1 140 . 1 . 1 21 21 ARG HB2 H 1 1.880196901 0.001101909141 . 2 . . . . A 21 ARG HB2 . 34937 1 141 . 1 . 1 21 21 ARG HB3 H 1 1.880285905 0.001078924871 . 2 . . . . A 21 ARG HB3 . 34937 1 142 . 1 . 1 21 21 ARG HG2 H 1 1.667932216 0.002747485282 . 2 . . . . A 21 ARG HG2 . 34937 1 143 . 1 . 1 21 21 ARG HG3 H 1 1.794893945 0.00428983606 . 2 . . . . A 21 ARG HG3 . 34937 1 144 . 1 . 1 21 21 ARG HD2 H 1 3.280425663 0.001759194489 . 2 . . . . A 21 ARG HD2 . 34937 1 145 . 1 . 1 21 21 ARG HD3 H 1 3.280425663 0.001759194489 . 2 . . . . A 21 ARG HD3 . 34937 1 146 . 1 . 1 21 21 ARG HE H 1 7.783121225 0.001516627763 . 1 . . . . A 21 ARG HE . 34937 1 147 . 1 . 1 21 21 ARG HH12 H 1 7.197754477 0 . 2 . . . . A 21 ARG HH12 . 34937 1 148 . 1 . 1 22 22 PRO HA H 1 4.75808105 0.001234620383 . 1 . . . . A 22 PRO HA . 34937 1 149 . 1 . 1 22 22 PRO HB2 H 1 1.802721935 0.00370576821 . 2 . . . . A 22 PRO HB2 . 34937 1 150 . 1 . 1 22 22 PRO HB3 H 1 2.349604585 0.002500655357 . 2 . . . . A 22 PRO HB3 . 34937 1 151 . 1 . 1 22 22 PRO HG2 H 1 1.996403984 0.00632461857 . 2 . . . . A 22 PRO HG2 . 34937 1 152 . 1 . 1 22 22 PRO HG3 H 1 2.023483116 0.005392615938 . 2 . . . . A 22 PRO HG3 . 34937 1 153 . 1 . 1 22 22 PRO HD2 H 1 3.686510901 0.002670222939 . 2 . . . . A 22 PRO HD2 . 34937 1 154 . 1 . 1 22 22 PRO HD3 H 1 3.88017398 0.002177200211 . 2 . . . . A 22 PRO HD3 . 34937 1 155 . 1 . 1 23 23 PRO HA H 1 2.476533431 0.001133675956 . 1 . . . . A 23 PRO HA . 34937 1 156 . 1 . 1 23 23 PRO HB2 H 1 0.3902212393 0.002615578139 . 2 . . . . A 23 PRO HB2 . 34937 1 157 . 1 . 1 23 23 PRO HB3 H 1 1.385580302 0.002872029875 . 2 . . . . A 23 PRO HB3 . 34937 1 158 . 1 . 1 23 23 PRO HG2 H 1 1.673548146 0.001229442948 . 2 . . . . A 23 PRO HG2 . 34937 1 159 . 1 . 1 23 23 PRO HG3 H 1 1.730073132 0.003935935688 . 2 . . . . A 23 PRO HG3 . 34937 1 160 . 1 . 1 23 23 PRO HD2 H 1 3.520287856 0.002585470543 . 2 . . . . A 23 PRO HD2 . 34937 1 161 . 1 . 1 23 23 PRO HD3 H 1 3.520341131 0.002481697935 . 2 . . . . A 23 PRO HD3 . 34937 1 162 . 1 . 1 24 24 PRO HA H 1 4.294624315 0.003148918761 . 1 . . . . A 24 PRO HA . 34937 1 163 . 1 . 1 24 24 PRO HB2 H 1 2.041019821 0.002102711922 . 2 . . . . A 24 PRO HB2 . 34937 1 164 . 1 . 1 24 24 PRO HB3 H 1 2.24274838 0.002174068766 . 2 . . . . A 24 PRO HB3 . 34937 1 165 . 1 . 1 24 24 PRO HG2 H 1 1.817767645 0.002331550896 . 2 . . . . A 24 PRO HG2 . 34937 1 166 . 1 . 1 24 24 PRO HG3 H 1 1.960044825 0.002744863593 . 2 . . . . A 24 PRO HG3 . 34937 1 167 . 1 . 1 24 24 PRO HD2 H 1 2.970933523 0.001432204385 . 2 . . . . A 24 PRO HD2 . 34937 1 168 . 1 . 1 24 24 PRO HD3 H 1 3.087262007 0.002498783688 . 2 . . . . A 24 PRO HD3 . 34937 1 169 . 1 . 1 25 25 SER H H 1 7.830604287 0.0007120675617 . 1 . . . . A 25 SER H . 34937 1 170 . 1 . 1 25 25 SER HA H 1 4.150118022 0.002956606992 . 1 . . . . A 25 SER HA . 34937 1 171 . 1 . 1 25 25 SER HB2 H 1 3.800743148 0.0005175997136 . 2 . . . . A 25 SER HB2 . 34937 1 172 . 1 . 1 25 25 SER HB3 H 1 3.800743148 0.0005175997136 . 2 . . . . A 25 SER HB3 . 34937 1 stop_ save_