################################### # 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 34952 _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' . . . 34952 1 2 '2D 1H-1H TOCSY' . . . 34952 1 3 '2D 1H-1H NOESY' . . . 34952 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 2 2 GLU HA H 1 4.33782296 0 . 1 . . . . A 2 GLU HA . 34952 1 2 . 1 . 1 3 3 GLU H H 1 8.934672903 0.001634097048 . 1 . . . . A 3 GLU H . 34952 1 3 . 1 . 1 3 3 GLU HA H 1 4.154127536 0.0005364369386 . 1 . . . . A 3 GLU HA . 34952 1 4 . 1 . 1 3 3 GLU HB2 H 1 2.039852581 0.003633650433 . 2 . . . . A 3 GLU HB2 . 34952 1 5 . 1 . 1 3 3 GLU HB3 H 1 2.083674847 0.0005800148526 . 2 . . . . A 3 GLU HB3 . 34952 1 6 . 1 . 1 3 3 GLU HG2 H 1 2.32118217 0.004852617557 . 2 . . . . A 3 GLU HG2 . 34952 1 7 . 1 . 1 3 3 GLU HG3 H 1 2.32118217 0.004852617557 . 2 . . . . A 3 GLU HG3 . 34952 1 8 . 1 . 1 4 4 ALA H H 1 8.578909634 0.000709878037 . 1 . . . . A 4 ALA H . 34952 1 9 . 1 . 1 4 4 ALA HA H 1 4.109035142 0.0002287137636 . 1 . . . . A 4 ALA HA . 34952 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB1 . 34952 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB2 . 34952 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB3 . 34952 1 13 . 1 . 1 5 5 VAL H H 1 7.493966269 0.001150944867 . 1 . . . . A 5 VAL H . 34952 1 14 . 1 . 1 5 5 VAL HA H 1 3.896007573 0.004849434028 . 1 . . . . A 5 VAL HA . 34952 1 15 . 1 . 1 5 5 VAL HB H 1 2.187879147 0.00360742054 . 1 . . . . A 5 VAL HB . 34952 1 16 . 1 . 1 5 5 VAL HG11 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG11 . 34952 1 17 . 1 . 1 5 5 VAL HG12 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG12 . 34952 1 18 . 1 . 1 5 5 VAL HG13 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG13 . 34952 1 19 . 1 . 1 5 5 VAL HG21 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG21 . 34952 1 20 . 1 . 1 5 5 VAL HG22 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG22 . 34952 1 21 . 1 . 1 5 5 VAL HG23 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG23 . 34952 1 22 . 1 . 1 6 6 ARG H H 1 7.952495078 0.001107941042 . 1 . . . . A 6 ARG H . 34952 1 23 . 1 . 1 6 6 ARG HA H 1 4.067759135 0.000636015171 . 1 . . . . A 6 ARG HA . 34952 1 24 . 1 . 1 6 6 ARG HB2 H 1 1.903768323 0.0006375744731 . 2 . . . . A 6 ARG HB2 . 34952 1 25 . 1 . 1 6 6 ARG HB3 H 1 1.952261049 0.003752386431 . 2 . . . . A 6 ARG HB3 . 34952 1 26 . 1 . 1 6 6 ARG HG2 H 1 1.555091684 0.001042140174 . 2 . . . . A 6 ARG HG2 . 34952 1 27 . 1 . 1 6 6 ARG HG3 H 1 1.72042321 0.001126574554 . 2 . . . . A 6 ARG HG3 . 34952 1 28 . 1 . 1 6 6 ARG HD2 H 1 3.203417395 0.0006252856474 . 2 . . . . A 6 ARG HD2 . 34952 1 29 . 1 . 1 6 6 ARG HD3 H 1 3.270473298 0.001183268818 . 2 . . . . A 6 ARG HD3 . 34952 1 30 . 1 . 1 7 7 LEU H H 1 8.423592505 0.0008766804581 . 1 . . . . A 7 LEU H . 34952 1 31 . 1 . 1 7 7 LEU HA H 1 4.126089802 0.001578493502 . 1 . . . . A 7 LEU HA . 34952 1 32 . 1 . 1 7 7 LEU HB2 H 1 1.437203499 0.0009041979744 . 2 . . . . A 7 LEU HB2 . 34952 1 33 . 1 . 1 7 7 LEU HB3 H 1 1.856408139 0.001488497409 . 2 . . . . A 7 LEU HB3 . 34952 1 34 . 1 . 1 7 7 LEU HG H 1 1.78550975 0.0007602730365 . 1 . . . . A 7 LEU HG . 34952 1 35 . 1 . 1 7 7 LEU HD11 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD11 . 34952 1 36 . 1 . 1 7 7 LEU HD12 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD12 . 34952 1 37 . 1 . 1 7 7 LEU HD13 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD13 . 34952 1 38 . 1 . 1 7 7 LEU HD21 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD21 . 34952 1 39 . 1 . 1 7 7 LEU HD22 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD22 . 34952 1 40 . 1 . 1 7 7 LEU HD23 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD23 . 34952 1 41 . 1 . 1 8 8 TYR H H 1 8.125332021 0.002183509197 . 1 . . . . A 8 TYR H . 34952 1 42 . 1 . 1 8 8 TYR HA H 1 4.208782935 0.0002957157931 . 1 . . . . A 8 TYR HA . 34952 1 43 . 1 . 1 8 8 TYR HB2 H 1 3.185128481 0.0003512883619 . 2 . . . . A 8 TYR HB2 . 34952 1 44 . 1 . 1 8 8 TYR HB3 H 1 3.246115885 0.003552223505 . 2 . . . . A 8 TYR HB3 . 34952 1 45 . 1 . 1 8 8 TYR HD1 H 1 7.05507792 0.002548467781 . 3 . . . . A 8 TYR HD1 . 34952 1 46 . 1 . 1 8 8 TYR HD2 H 1 7.05507792 0.002548467781 . 3 . . . . A 8 TYR HD2 . 34952 1 47 . 1 . 1 8 8 TYR HE1 H 1 6.837596047 0.001676671057 . 3 . . . . A 8 TYR HE1 . 34952 1 48 . 1 . 1 8 8 TYR HE2 H 1 6.837596047 0.001676671057 . 3 . . . . A 8 TYR HE2 . 34952 1 49 . 1 . 1 9 9 ILE H H 1 8.426437162 0.000256784862 . 1 . . . . A 9 ILE H . 34952 1 50 . 1 . 1 9 9 ILE HA H 1 3.742625915 0.001405543296 . 1 . . . . A 9 ILE HA . 34952 1 51 . 1 . 1 9 9 ILE HB H 1 2.037546724 0.001189753088 . 1 . . . . A 9 ILE HB . 34952 1 52 . 1 . 1 9 9 ILE HG12 H 1 1.391373956 0.0006847867078 . 2 . . . . A 9 ILE HG12 . 34952 1 53 . 1 . 1 9 9 ILE HG13 H 1 1.829248031 0.001128230985 . 2 . . . . A 9 ILE HG13 . 34952 1 54 . 1 . 1 9 9 ILE HG21 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG21 . 34952 1 55 . 1 . 1 9 9 ILE HG22 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG22 . 34952 1 56 . 1 . 1 9 9 ILE HG23 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG23 . 34952 1 57 . 1 . 1 9 9 ILE HD11 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD11 . 34952 1 58 . 1 . 1 9 9 ILE HD12 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD12 . 34952 1 59 . 1 . 1 9 9 ILE HD13 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD13 . 34952 1 60 . 1 . 1 10 10 GLN H H 1 7.997772843 0.000625685381 . 1 . . . . A 10 GLN H . 34952 1 61 . 1 . 1 10 10 GLN HA H 1 4.040652048 0.001914077826 . 1 . . . . A 10 GLN HA . 34952 1 62 . 1 . 1 10 10 GLN HB2 H 1 2.162516597 0.001801998022 . 2 . . . . A 10 GLN HB2 . 34952 1 63 . 1 . 1 10 10 GLN HB3 H 1 2.163523471 0.002788363893 . 2 . . . . A 10 GLN HB3 . 34952 1 64 . 1 . 1 10 10 GLN HG2 H 1 2.36920446 0.003117184539 . 2 . . . . A 10 GLN HG2 . 34952 1 65 . 1 . 1 10 10 GLN HG3 H 1 2.425057075 0.00263410244 . 2 . . . . A 10 GLN HG3 . 34952 1 66 . 1 . 1 10 10 GLN HE21 H 1 6.914913214 0 . 2 . . . . A 10 GLN HE21 . 34952 1 67 . 1 . 1 10 10 GLN HE22 H 1 7.502207805 0.0002360555099 . 2 . . . . A 10 GLN HE22 . 34952 1 68 . 1 . 1 11 11 TRP H H 1 8.026796533 0.002135079842 . 1 . . . . A 11 TRP H . 34952 1 69 . 1 . 1 11 11 TRP HA H 1 4.3034429 0.0006113891256 . 1 . . . . A 11 TRP HA . 34952 1 70 . 1 . 1 11 11 TRP HB2 H 1 3.206998889 0.002072533505 . 2 . . . . A 11 TRP HB2 . 34952 1 71 . 1 . 1 11 11 TRP HB3 H 1 3.573682913 0.0029925833 . 2 . . . . A 11 TRP HB3 . 34952 1 72 . 1 . 1 11 11 TRP HD1 H 1 7.093751681 0.00865142856 . 1 . . . . A 11 TRP HD1 . 34952 1 73 . 1 . 1 11 11 TRP HE1 H 1 9.69982612 0.00115826272 . 1 . . . . A 11 TRP HE1 . 34952 1 74 . 1 . 1 11 11 TRP HE3 H 1 7.174307111 0.00222015843 . 1 . . . . A 11 TRP HE3 . 34952 1 75 . 1 . 1 11 11 TRP HZ2 H 1 7.268931628 0.001666438553 . 1 . . . . A 11 TRP HZ2 . 34952 1 76 . 1 . 1 11 11 TRP HH2 H 1 7.20756779 0.006009725984 . 1 . . . . A 11 TRP HH2 . 34952 1 77 . 1 . 1 12 12 LEU H H 1 8.473290453 0.001481224415 . 1 . . . . A 12 LEU H . 34952 1 78 . 1 . 1 12 12 LEU HA H 1 3.443518302 0.00182046051 . 1 . . . . A 12 LEU HA . 34952 1 79 . 1 . 1 12 12 LEU HB2 H 1 1.407098224 0.0005174065587 . 2 . . . . A 12 LEU HB2 . 34952 1 80 . 1 . 1 12 12 LEU HB3 H 1 1.868539391 0.002342018538 . 2 . . . . A 12 LEU HB3 . 34952 1 81 . 1 . 1 12 12 LEU HG H 1 1.577539757 0.00177003547 . 1 . . . . A 12 LEU HG . 34952 1 82 . 1 . 1 12 12 LEU HD11 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD11 . 34952 1 83 . 1 . 1 12 12 LEU HD12 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD12 . 34952 1 84 . 1 . 1 12 12 LEU HD13 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD13 . 34952 1 85 . 1 . 1 12 12 LEU HD21 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD21 . 34952 1 86 . 1 . 1 12 12 LEU HD22 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD22 . 34952 1 87 . 1 . 1 12 12 LEU HD23 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD23 . 34952 1 88 . 1 . 1 13 13 LYS H H 1 8.311396788 0.001822446713 . 1 . . . . A 13 LYS H . 34952 1 89 . 1 . 1 13 13 LYS HA H 1 4.026037384 0.004380696401 . 1 . . . . A 13 LYS HA . 34952 1 90 . 1 . 1 13 13 LYS HB2 H 1 1.924124098 0.001703166891 . 2 . . . . A 13 LYS HB2 . 34952 1 91 . 1 . 1 13 13 LYS HB3 H 1 1.924124098 0.001703166891 . 2 . . . . A 13 LYS HB3 . 34952 1 92 . 1 . 1 13 13 LYS HG2 H 1 1.455313977 0.002584025177 . 2 . . . . A 13 LYS HG2 . 34952 1 93 . 1 . 1 13 13 LYS HG3 H 1 1.455313977 0.002584025177 . 2 . . . . A 13 LYS HG3 . 34952 1 94 . 1 . 1 13 13 LYS HD2 H 1 1.65866786 0.0006723764855 . 2 . . . . A 13 LYS HD2 . 34952 1 95 . 1 . 1 13 13 LYS HD3 H 1 1.65866786 0.0006723764838 . 2 . . . . A 13 LYS HD3 . 34952 1 96 . 1 . 1 13 13 LYS HE2 H 1 2.943993071 0.0005484565834 . 2 . . . . A 13 LYS HE2 . 34952 1 97 . 1 . 1 13 13 LYS HE3 H 1 2.943993071 0.0005484565834 . 2 . . . . A 13 LYS HE3 . 34952 1 98 . 1 . 1 14 14 GLN H H 1 7.640610733 0.001985328966 . 1 . . . . A 14 GLN H . 34952 1 99 . 1 . 1 14 14 GLN HA H 1 4.300711404 0.0005518373193 . 1 . . . . A 14 GLN HA . 34952 1 100 . 1 . 1 14 14 GLN HB2 H 1 2.122935455 0.0007228786144 . 2 . . . . A 14 GLN HB2 . 34952 1 101 . 1 . 1 14 14 GLN HB3 H 1 2.122935455 0.000722878615 . 2 . . . . A 14 GLN HB3 . 34952 1 102 . 1 . 1 14 14 GLN HG2 H 1 2.411714584 0.001348149584 . 2 . . . . A 14 GLN HG2 . 34952 1 103 . 1 . 1 14 14 GLN HG3 H 1 2.548155916 0.001417720764 . 2 . . . . A 14 GLN HG3 . 34952 1 104 . 1 . 1 14 14 GLN HE21 H 1 6.789069536 0 . 2 . . . . A 14 GLN HE21 . 34952 1 105 . 1 . 1 14 14 GLN HE22 H 1 7.396421177 0 . 2 . . . . A 14 GLN HE22 . 34952 1 106 . 1 . 1 15 15 GLY H H 1 7.632520083 0.001490379727 . 1 . . . . A 15 GLY H . 34952 1 107 . 1 . 1 15 15 GLY HA2 H 1 3.55483749 0.0005883478747 . 2 . . . . A 15 GLY HA2 . 34952 1 108 . 1 . 1 15 15 GLY HA3 H 1 4.131695753 0.0006318873512 . 2 . . . . A 15 GLY HA3 . 34952 1 109 . 1 . 1 16 16 GLY H H 1 8.050991211 0.000688772108 . 1 . . . . A 16 GLY H . 34952 1 110 . 1 . 1 16 16 GLY HA2 H 1 1.599600516 0.0002693090783 . 2 . . . . A 16 GLY HA2 . 34952 1 111 . 1 . 1 16 16 GLY HA3 H 1 3.169535088 0.0005342186236 . 2 . . . . A 16 GLY HA3 . 34952 1 112 . 1 . 1 17 17 PRO HA H 1 4.552376527 0.0009952766308 . 1 . . . . A 17 PRO HA . 34952 1 113 . 1 . 1 17 17 PRO HB2 H 1 2.042506266 0.001504254354 . 2 . . . . A 17 PRO HB2 . 34952 1 114 . 1 . 1 17 17 PRO HB3 H 1 2.465621691 0.001897338635 . 2 . . . . A 17 PRO HB3 . 34952 1 115 . 1 . 1 17 17 PRO HG2 H 1 2.113385161 0.007979343292 . 2 . . . . A 17 PRO HG2 . 34952 1 116 . 1 . 1 17 17 PRO HG3 H 1 2.113385161 0.007979343292 . 2 . . . . A 17 PRO HG3 . 34952 1 117 . 1 . 1 17 17 PRO HD2 H 1 3.325726986 0.00355078103 . 2 . . . . A 17 PRO HD2 . 34952 1 118 . 1 . 1 17 17 PRO HD3 H 1 3.72698615 0.001038446932 . 2 . . . . A 17 PRO HD3 . 34952 1 119 . 1 . 1 18 18 SER H H 1 7.910429442 0.002426968277 . 1 . . . . A 18 SER H . 34952 1 120 . 1 . 1 18 18 SER HA H 1 4.443698866 0 . 1 . . . . A 18 SER HA . 34952 1 121 . 1 . 1 18 18 SER HB2 H 1 3.919473718 0 . 2 . . . . A 18 SER HB2 . 34952 1 122 . 1 . 1 18 18 SER HB3 H 1 3.919473718 0 . 2 . . . . A 18 SER HB3 . 34952 1 123 . 1 . 1 19 19 SER H H 1 8.11117675 0.0006898794021 . 1 . . . . A 19 SER H . 34952 1 124 . 1 . 1 19 19 SER HA H 1 4.279131155 0.0005848548494 . 1 . . . . A 19 SER HA . 34952 1 125 . 1 . 1 19 19 SER HB2 H 1 3.663500095 0.00278702175 . 2 . . . . A 19 SER HB2 . 34952 1 126 . 1 . 1 19 19 SER HB3 H 1 3.923416026 0.0004923546101 . 2 . . . . A 19 SER HB3 . 34952 1 127 . 1 . 1 20 20 GLY H H 1 8.029542772 0.0002491370055 . 1 . . . . A 20 GLY H . 34952 1 128 . 1 . 1 20 20 GLY HA2 H 1 3.858158688 0 . 2 . . . . A 20 GLY HA2 . 34952 1 129 . 1 . 1 20 20 GLY HA3 H 1 4.181322648 0 . 2 . . . . A 20 GLY HA3 . 34952 1 130 . 1 . 1 21 21 ARG H H 1 7.994776681 0.001314721729 . 1 . . . . A 21 ARG H . 34952 1 131 . 1 . 1 21 21 ARG HA H 1 4.825448523 0.001118105957 . 1 . . . . A 21 ARG HA . 34952 1 132 . 1 . 1 21 21 ARG HB2 H 1 1.775828707 0.005235932065 . 2 . . . . A 21 ARG HB2 . 34952 1 133 . 1 . 1 21 21 ARG HB3 H 1 1.928697893 0.0006600910519 . 2 . . . . A 21 ARG HB3 . 34952 1 134 . 1 . 1 21 21 ARG HG2 H 1 1.673716483 0.0006936788354 . 2 . . . . A 21 ARG HG2 . 34952 1 135 . 1 . 1 21 21 ARG HG3 H 1 1.675152212 0.002937723286 . 2 . . . . A 21 ARG HG3 . 34952 1 136 . 1 . 1 21 21 ARG HD2 H 1 3.238835676 0.0007829074164 . 2 . . . . A 21 ARG HD2 . 34952 1 137 . 1 . 1 21 21 ARG HD3 H 1 3.238835676 0.0007829074164 . 2 . . . . A 21 ARG HD3 . 34952 1 138 . 1 . 1 22 22 PRO HA H 1 4.671516881 0.001367630473 . 1 . . . . A 22 PRO HA . 34952 1 139 . 1 . 1 22 22 PRO HB2 H 1 1.809250743 0.003158265354 . 2 . . . . A 22 PRO HB2 . 34952 1 140 . 1 . 1 22 22 PRO HB3 H 1 2.279385158 0.003359655485 . 2 . . . . A 22 PRO HB3 . 34952 1 141 . 1 . 1 22 22 PRO HG2 H 1 1.995416677 0.001587659045 . 2 . . . . A 22 PRO HG2 . 34952 1 142 . 1 . 1 22 22 PRO HG3 H 1 1.995416677 0.001587659045 . 2 . . . . A 22 PRO HG3 . 34952 1 143 . 1 . 1 22 22 PRO HD2 H 1 3.62915434 0.001130849952 . 2 . . . . A 22 PRO HD2 . 34952 1 144 . 1 . 1 22 22 PRO HD3 H 1 3.839114119 0.003883074022 . 2 . . . . A 22 PRO HD3 . 34952 1 145 . 1 . 1 23 23 PRO HA H 1 3.061107781 0.003831322517 . 1 . . . . A 23 PRO HA . 34952 1 146 . 1 . 1 23 23 PRO HB2 H 1 0.9082785796 0.001794890256 . 2 . . . . A 23 PRO HB2 . 34952 1 147 . 1 . 1 23 23 PRO HB3 H 1 1.508703503 0.008988768184 . 2 . . . . A 23 PRO HB3 . 34952 1 148 . 1 . 1 23 23 PRO HG2 H 1 1.695050451 0.00118328775 . 2 . . . . A 23 PRO HG2 . 34952 1 149 . 1 . 1 23 23 PRO HG3 H 1 1.792216272 0.001170618401 . 2 . . . . A 23 PRO HG3 . 34952 1 150 . 1 . 1 23 23 PRO HD2 H 1 3.516569555 0.01168388207 . 2 . . . . A 23 PRO HD2 . 34952 1 151 . 1 . 1 23 23 PRO HD3 H 1 3.516569555 0.01168388207 . 2 . . . . A 23 PRO HD3 . 34952 1 152 . 1 . 1 24 24 PRO HA H 1 4.310374421 0.001196483886 . 1 . . . . A 24 PRO HA . 34952 1 153 . 1 . 1 24 24 PRO HB2 H 1 1.980235605 0.003254729019 . 2 . . . . A 24 PRO HB2 . 34952 1 154 . 1 . 1 24 24 PRO HB3 H 1 2.226303302 0.001000118275 . 2 . . . . A 24 PRO HB3 . 34952 1 155 . 1 . 1 24 24 PRO HG2 H 1 1.852709508 0.0004291518514 . 2 . . . . A 24 PRO HG2 . 34952 1 156 . 1 . 1 24 24 PRO HG3 H 1 1.939018249 0.0005473431679 . 2 . . . . A 24 PRO HG3 . 34952 1 157 . 1 . 1 24 24 PRO HD2 H 1 3.115619 0.0005773259602 . 2 . . . . A 24 PRO HD2 . 34952 1 158 . 1 . 1 24 24 PRO HD3 H 1 3.215179237 0.0006200445318 . 2 . . . . A 24 PRO HD3 . 34952 1 159 . 1 . 1 25 25 SER H H 1 7.726383162 0.001308686039 . 1 . . . . A 25 SER H . 34952 1 160 . 1 . 1 25 25 SER HA H 1 4.154078364 0 . 1 . . . . A 25 SER HA . 34952 1 161 . 1 . 1 25 25 SER HB2 H 1 3.787207078 0 . 2 . . . . A 25 SER HB2 . 34952 1 162 . 1 . 1 25 25 SER HB3 H 1 3.787207078 0 . 2 . . . . A 25 SER HB3 . 34952 1 stop_ save_