################################### # 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 34949 _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' . . . 34949 1 2 '2D 1H-1H TOCSY' . . . 34949 1 3 '2D 1H-1H NOESY' . . . 34949 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 3.94775 0.001299038106 . 1 . . . . A 1 GLU HA . 34949 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.027484349 0.0004377412023 . 2 . . . . A 1 GLU HB2 . 34949 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.107 0.0007071067809 . 2 . . . . A 1 GLU HB3 . 34949 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.346333333 0.0004714045196 . 2 . . . . A 1 GLU HG2 . 34949 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.366 0.0008164965799 . 2 . . . . A 1 GLU HG3 . 34949 1 6 . 1 . 1 2 2 GLU HA H 1 4.305747242 0.001938844804 . 1 . . . . A 2 GLU HA . 34949 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.002295453 0.0007952181974 . 2 . . . . A 2 GLU HB2 . 34949 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.141527112 0.0005183930177 . 2 . . . . A 2 GLU HB3 . 34949 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.328379848 0.005012332914 . 2 . . . . A 2 GLU HG2 . 34949 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.359696868 0.0004431931409 . 2 . . . . A 2 GLU HG3 . 34949 1 11 . 1 . 1 3 3 GLU H H 1 8.785 0 . 1 . . . . A 3 GLU H . 34949 1 12 . 1 . 1 3 3 GLU HA H 1 4.197843354 0.003114185671 . 1 . . . . A 3 GLU HA . 34949 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.0825 0.0004999999994 . 2 . . . . A 3 GLU HB2 . 34949 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.0825 0.0004999999994 . 2 . . . . A 3 GLU HB3 . 34949 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.3135 0.0025 . 2 . . . . A 3 GLU HG2 . 34949 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.3135 0.0025 . 2 . . . . A 3 GLU HG3 . 34949 1 17 . 1 . 1 4 4 CYS HA H 1 4.435645956 0.00277217174 . 1 . . . . A 4 CYS HA . 34949 1 18 . 1 . 1 4 4 CYS HB2 H 1 2.924971343 0.0007088466799 . 2 . . . . A 4 CYS HB2 . 34949 1 19 . 1 . 1 4 4 CYS HB3 H 1 3.374 0 . 2 . . . . A 4 CYS HB3 . 34949 1 20 . 1 . 1 5 5 VAL H H 1 7.759532221 0.001314344548 . 1 . . . . A 5 VAL H . 34949 1 21 . 1 . 1 5 5 VAL HA H 1 3.7377 0.003950949253 . 1 . . . . A 5 VAL HA . 34949 1 22 . 1 . 1 5 5 VAL HB H 1 2.163295777 0.00157618572 . 1 . . . . A 5 VAL HB . 34949 1 23 . 1 . 1 5 5 VAL HG11 H 1 0.9919647843 0.005387936987 . 2 . . . . A 5 VAL HG11 . 34949 1 24 . 1 . 1 5 5 VAL HG12 H 1 0.9919647843 0.005387936987 . 2 . . . . A 5 VAL HG12 . 34949 1 25 . 1 . 1 5 5 VAL HG13 H 1 0.9919647843 0.005387936987 . 2 . . . . A 5 VAL HG13 . 34949 1 26 . 1 . 1 5 5 VAL HG21 H 1 1.037384524 0.002107519305 . 2 . . . . A 5 VAL HG21 . 34949 1 27 . 1 . 1 5 5 VAL HG22 H 1 1.037384524 0.002107519305 . 2 . . . . A 5 VAL HG22 . 34949 1 28 . 1 . 1 5 5 VAL HG23 H 1 1.037384524 0.002107519305 . 2 . . . . A 5 VAL HG23 . 34949 1 29 . 1 . 1 6 6 ARG H H 1 7.632491089 0.000989154167 . 1 . . . . A 6 ARG H . 34949 1 30 . 1 . 1 6 6 ARG HA H 1 4.061486701 0.004639514706 . 1 . . . . A 6 ARG HA . 34949 1 31 . 1 . 1 6 6 ARG HB2 H 1 1.955714286 0.003880879345 . 2 . . . . A 6 ARG HB2 . 34949 1 32 . 1 . 1 6 6 ARG HB3 H 1 1.977266502 0.005224857679 . 2 . . . . A 6 ARG HB3 . 34949 1 33 . 1 . 1 6 6 ARG HG2 H 1 1.631285714 0.002710523709 . 2 . . . . A 6 ARG HG2 . 34949 1 34 . 1 . 1 6 6 ARG HG3 H 1 1.755625 0.007967708265 . 2 . . . . A 6 ARG HG3 . 34949 1 35 . 1 . 1 6 6 ARG HD2 H 1 3.235992759 0.000707366225 . 2 . . . . A 6 ARG HD2 . 34949 1 36 . 1 . 1 6 6 ARG HD3 H 1 3.2852052 0.000635718203 . 2 . . . . A 6 ARG HD3 . 34949 1 37 . 1 . 1 7 7 LEU H H 1 8.166307692 0.00185574432 . 1 . . . . A 7 LEU H . 34949 1 38 . 1 . 1 7 7 LEU HA H 1 4.1495 0.002061552813 . 1 . . . . A 7 LEU HA . 34949 1 39 . 1 . 1 7 7 LEU HB2 H 1 1.358345473 0.001566387346 . 2 . . . . A 7 LEU HB2 . 34949 1 40 . 1 . 1 7 7 LEU HB3 H 1 2.023924863 0.001141496415 . 2 . . . . A 7 LEU HB3 . 34949 1 41 . 1 . 1 7 7 LEU HG H 1 1.865503696 0.001221261888 . 1 . . . . A 7 LEU HG . 34949 1 42 . 1 . 1 7 7 LEU HD11 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD11 . 34949 1 43 . 1 . 1 7 7 LEU HD12 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD12 . 34949 1 44 . 1 . 1 7 7 LEU HD13 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD13 . 34949 1 45 . 1 . 1 7 7 LEU HD21 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD21 . 34949 1 46 . 1 . 1 7 7 LEU HD22 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD22 . 34949 1 47 . 1 . 1 7 7 LEU HD23 H 1 0.9051537779 0.00473032555 . 2 . . . . A 7 LEU HD23 . 34949 1 48 . 1 . 1 8 8 TYR H H 1 9.185014123 0.001495108975 . 1 . . . . A 8 TYR H . 34949 1 49 . 1 . 1 8 8 TYR HA H 1 4.027333333 0.002687419249 . 1 . . . . A 8 TYR HA . 34949 1 50 . 1 . 1 8 8 TYR HB2 H 1 3.237533922 0.002021937706 . 2 . . . . A 8 TYR HB2 . 34949 1 51 . 1 . 1 8 8 TYR HB3 H 1 3.238029076 0.002355141735 . 2 . . . . A 8 TYR HB3 . 34949 1 52 . 1 . 1 8 8 TYR HD1 H 1 7.011842681 0.002049388118 . 3 . . . . A 8 TYR HD1 . 34949 1 53 . 1 . 1 8 8 TYR HD2 H 1 7.011842681 0.002049388118 . 3 . . . . A 8 TYR HD2 . 34949 1 54 . 1 . 1 8 8 TYR HE1 H 1 6.819235265 0.002886092228 . 3 . . . . A 8 TYR HE1 . 34949 1 55 . 1 . 1 8 8 TYR HE2 H 1 6.819235265 0.002886092228 . 3 . . . . A 8 TYR HE2 . 34949 1 56 . 1 . 1 9 9 ILE H H 1 8.364650478 0.001328791755 . 1 . . . . A 9 ILE H . 34949 1 57 . 1 . 1 9 9 ILE HA H 1 3.778413 0.00567637307 . 1 . . . . A 9 ILE HA . 34949 1 58 . 1 . 1 9 9 ILE HB H 1 2.053822268 0.006613406385 . 1 . . . . A 9 ILE HB . 34949 1 59 . 1 . 1 9 9 ILE HG12 H 1 1.362148281 0.003660963873 . 2 . . . . A 9 ILE HG12 . 34949 1 60 . 1 . 1 9 9 ILE HG13 H 1 1.92196568 0.006124977879 . 2 . . . . A 9 ILE HG13 . 34949 1 61 . 1 . 1 9 9 ILE HG21 H 1 0.9546229214 0.006200002883 . 1 . . . . A 9 ILE HG21 . 34949 1 62 . 1 . 1 9 9 ILE HG22 H 1 0.9546229214 0.006200002883 . 1 . . . . A 9 ILE HG22 . 34949 1 63 . 1 . 1 9 9 ILE HG23 H 1 0.9546229214 0.006200002883 . 1 . . . . A 9 ILE HG23 . 34949 1 64 . 1 . 1 9 9 ILE HD11 H 1 0.922966634 0.006189481277 . 1 . . . . A 9 ILE HD11 . 34949 1 65 . 1 . 1 9 9 ILE HD12 H 1 0.922966634 0.006189481277 . 1 . . . . A 9 ILE HD12 . 34949 1 66 . 1 . 1 9 9 ILE HD13 H 1 0.922966634 0.006189481277 . 1 . . . . A 9 ILE HD13 . 34949 1 67 . 1 . 1 10 10 GLN H H 1 7.538 0.001309307342 . 1 . . . . A 10 GLN H . 34949 1 68 . 1 . 1 10 10 GLN HA H 1 3.914072641 0.001340250143 . 1 . . . . A 10 GLN HA . 34949 1 69 . 1 . 1 10 10 GLN HB2 H 1 2.185777778 0.00557330498 . 2 . . . . A 10 GLN HB2 . 34949 1 70 . 1 . 1 10 10 GLN HB3 H 1 2.241857143 0.002294625487 . 2 . . . . A 10 GLN HB3 . 34949 1 71 . 1 . 1 10 10 GLN HG2 H 1 2.434 0.00232992949 . 2 . . . . A 10 GLN HG2 . 34949 1 72 . 1 . 1 10 10 GLN HG3 H 1 2.450002716 0.001224765946 . 2 . . . . A 10 GLN HG3 . 34949 1 73 . 1 . 1 10 10 GLN HE21 H 1 6.782 0.001414213563 . 2 . . . . A 10 GLN HE21 . 34949 1 74 . 1 . 1 10 10 GLN HE22 H 1 7.664666667 0.0004714045101 . 2 . . . . A 10 GLN HE22 . 34949 1 75 . 1 . 1 11 11 TRP H H 1 8.161328762 0.001791269586 . 1 . . . . A 11 TRP H . 34949 1 76 . 1 . 1 11 11 TRP HA H 1 4.248413554 0.002054318483 . 1 . . . . A 11 TRP HA . 34949 1 77 . 1 . 1 11 11 TRP HB2 H 1 3.121604522 0.001036530092 . 2 . . . . A 11 TRP HB2 . 34949 1 78 . 1 . 1 11 11 TRP HB3 H 1 3.550720496 0.005659554403 . 2 . . . . A 11 TRP HB3 . 34949 1 79 . 1 . 1 11 11 TRP HD1 H 1 6.981307692 0.002197362595 . 1 . . . . A 11 TRP HD1 . 34949 1 80 . 1 . 1 11 11 TRP HE1 H 1 9.507727273 0.001212878553 . 1 . . . . A 11 TRP HE1 . 34949 1 81 . 1 . 1 11 11 TRP HE3 H 1 7.0123161 0.01033067692 . 1 . . . . A 11 TRP HE3 . 34949 1 82 . 1 . 1 11 11 TRP HZ2 H 1 7.175846234 0.002902397517 . 1 . . . . A 11 TRP HZ2 . 34949 1 83 . 1 . 1 11 11 TRP HZ3 H 1 7.058437972 0.001389047277 . 1 . . . . A 11 TRP HZ3 . 34949 1 84 . 1 . 1 11 11 TRP HH2 H 1 7.18433123 0.003018378883 . 1 . . . . A 11 TRP HH2 . 34949 1 85 . 1 . 1 12 12 LEU H H 1 8.551148328 0.001349099198 . 1 . . . . A 12 LEU H . 34949 1 86 . 1 . 1 12 12 LEU HA H 1 3.3855 0.001443375674 . 1 . . . . A 12 LEU HA . 34949 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.386006528 0.001067740875 . 2 . . . . A 12 LEU HB2 . 34949 1 88 . 1 . 1 12 12 LEU HB3 H 1 2.02957885 0.000642588242 . 2 . . . . A 12 LEU HB3 . 34949 1 89 . 1 . 1 12 12 LEU HG H 1 1.830530598 0.002527994477 . 1 . . . . A 12 LEU HG . 34949 1 90 . 1 . 1 12 12 LEU HD11 H 1 0.8434371175 0.002272979187 . 2 . . . . A 12 LEU HD11 . 34949 1 91 . 1 . 1 12 12 LEU HD12 H 1 0.8434371175 0.002272979187 . 2 . . . . A 12 LEU HD12 . 34949 1 92 . 1 . 1 12 12 LEU HD13 H 1 0.8434371175 0.002272979187 . 2 . . . . A 12 LEU HD13 . 34949 1 93 . 1 . 1 12 12 LEU HD21 H 1 1.006912662 0.008046428451 . 2 . . . . A 12 LEU HD21 . 34949 1 94 . 1 . 1 12 12 LEU HD22 H 1 1.006912662 0.008046428451 . 2 . . . . A 12 LEU HD22 . 34949 1 95 . 1 . 1 12 12 LEU HD23 H 1 1.006912662 0.008046428451 . 2 . . . . A 12 LEU HD23 . 34949 1 96 . 1 . 1 13 13 LYS H H 1 8.27074809 0.001695637787 . 1 . . . . A 13 LYS H . 34949 1 97 . 1 . 1 13 13 LYS HA H 1 3.928 0.005477225576 . 1 . . . . A 13 LYS HA . 34949 1 98 . 1 . 1 13 13 LYS HB2 H 1 1.935585866 0.001207377022 . 2 . . . . A 13 LYS HB2 . 34949 1 99 . 1 . 1 13 13 LYS HB3 H 1 1.936153578 0.001112511909 . 2 . . . . A 13 LYS HB3 . 34949 1 100 . 1 . 1 13 13 LYS HG2 H 1 1.450901498 0.001942292812 . 2 . . . . A 13 LYS HG2 . 34949 1 101 . 1 . 1 13 13 LYS HG3 H 1 1.450901498 0.001942292812 . 2 . . . . A 13 LYS HG3 . 34949 1 102 . 1 . 1 13 13 LYS HD2 H 1 1.590776151 0.0005122466662 . 2 . . . . A 13 LYS HD2 . 34949 1 103 . 1 . 1 13 13 LYS HD3 H 1 1.623313338 0.01214413089 . 2 . . . . A 13 LYS HD3 . 34949 1 104 . 1 . 1 13 13 LYS HE2 H 1 2.932166667 0.003287180487 . 2 . . . . A 13 LYS HE2 . 34949 1 105 . 1 . 1 14 14 ASP H H 1 7.798998418 0.001415339996 . 1 . . . . A 14 ASP H . 34949 1 106 . 1 . 1 14 14 ASP HA H 1 4.589 0.001581138828 . 1 . . . . A 14 ASP HA . 34949 1 107 . 1 . 1 14 14 ASP HB2 H 1 2.703130361 0.001458408854 . 2 . . . . A 14 ASP HB2 . 34949 1 108 . 1 . 1 14 14 ASP HB3 H 1 2.8762 0.001720465053 . 2 . . . . A 14 ASP HB3 . 34949 1 109 . 1 . 1 15 15 GLY H H 1 7.465206042 0.002392280301 . 1 . . . . A 15 GLY H . 34949 1 110 . 1 . 1 15 15 GLY HA2 H 1 3.469 0.002449489743 . 2 . . . . A 15 GLY HA2 . 34949 1 111 . 1 . 1 15 15 GLY HA3 H 1 4.160333333 0.000942809041 . 2 . . . . A 15 GLY HA3 . 34949 1 112 . 1 . 1 16 16 GLY H H 1 8.4149 0.001300000007 . 1 . . . . A 16 GLY H . 34949 1 113 . 1 . 1 16 16 GLY HA2 H 1 0.8295808621 0.005264691396 . 2 . . . . A 16 GLY HA2 . 34949 1 114 . 1 . 1 16 16 GLY HA3 H 1 2.990253346 0.008806550565 . 2 . . . . A 16 GLY HA3 . 34949 1 115 . 1 . 1 17 17 PRO HA H 1 4.566 0.01173787791 . 1 . . . . A 17 PRO HA . 34949 1 116 . 1 . 1 17 17 PRO HB2 H 1 2.049033528 0.0005821974702 . 2 . . . . A 17 PRO HB2 . 34949 1 117 . 1 . 1 17 17 PRO HB3 H 1 2.527142857 0.001958758458 . 2 . . . . A 17 PRO HB3 . 34949 1 118 . 1 . 1 17 17 PRO HG2 H 1 2.138857143 0.001551825785 . 2 . . . . A 17 PRO HG2 . 34949 1 119 . 1 . 1 17 17 PRO HG3 H 1 2.138857143 0.001551825784 . 2 . . . . A 17 PRO HG3 . 34949 1 120 . 1 . 1 17 17 PRO HD2 H 1 3.2756 0.002537715508 . 2 . . . . A 17 PRO HD2 . 34949 1 121 . 1 . 1 17 17 PRO HD3 H 1 3.772888889 0.002424158249 . 2 . . . . A 17 PRO HD3 . 34949 1 122 . 1 . 1 18 18 SER H H 1 7.5875 0.0015 . 1 . . . . A 18 SER H . 34949 1 123 . 1 . 1 18 18 SER HA H 1 4.456666667 0.001247219128 . 1 . . . . A 18 SER HA . 34949 1 124 . 1 . 1 18 18 SER HB2 H 1 3.9045 0.002061552813 . 2 . . . . A 18 SER HB2 . 34949 1 125 . 1 . 1 18 18 SER HB3 H 1 3.943 0.004242640687 . 2 . . . . A 18 SER HB3 . 34949 1 126 . 1 . 1 19 19 SER H H 1 8.113666667 0.01544524378 . 1 . . . . A 19 SER H . 34949 1 127 . 1 . 1 19 19 SER HA H 1 4.167333333 0.000942809041 . 1 . . . . A 19 SER HA . 34949 1 128 . 1 . 1 19 19 SER HB2 H 1 3.519997145 0.002708020327 . 2 . . . . A 19 SER HB2 . 34949 1 129 . 1 . 1 19 19 SER HB3 H 1 3.876278849 0.002711299475 . 2 . . . . A 19 SER HB3 . 34949 1 130 . 1 . 1 20 20 GLY H H 1 7.787822876 0.00130709504 . 1 . . . . A 20 GLY H . 34949 1 131 . 1 . 1 20 20 GLY HA2 H 1 3.787 0.002160246899 . 2 . . . . A 20 GLY HA2 . 34949 1 132 . 1 . 1 20 20 GLY HA3 H 1 4.286666667 0.005436502144 . 2 . . . . A 20 GLY HA3 . 34949 1 133 . 1 . 1 21 21 ARG H H 1 8.05256053 0.002035512505 . 1 . . . . A 21 ARG H . 34949 1 134 . 1 . 1 21 21 ARG HA H 1 4.989877723 0.002083707104 . 1 . . . . A 21 ARG HA . 34949 1 135 . 1 . 1 21 21 ARG HB2 H 1 1.784386249 0.002257927056 . 2 . . . . A 21 ARG HB2 . 34949 1 136 . 1 . 1 21 21 ARG HB3 H 1 1.865021405 0.001046657056 . 2 . . . . A 21 ARG HB3 . 34949 1 137 . 1 . 1 21 21 ARG HG2 H 1 1.665625 0.002997394702 . 2 . . . . A 21 ARG HG2 . 34949 1 138 . 1 . 1 21 21 ARG HG3 H 1 1.665625 0.002997394702 . 2 . . . . A 21 ARG HG3 . 34949 1 139 . 1 . 1 21 21 ARG HD2 H 1 3.247049321 0.003875180981 . 2 . . . . A 21 ARG HD2 . 34949 1 140 . 1 . 1 21 21 ARG HD3 H 1 3.311 0.0005773502685 . 2 . . . . A 21 ARG HD3 . 34949 1 141 . 1 . 1 22 22 PRO HA H 1 4.733197979 0.002233817699 . 1 . . . . A 22 PRO HA . 34949 1 142 . 1 . 1 22 22 PRO HB2 H 1 1.781005045 0.001309365649 . 2 . . . . A 22 PRO HB2 . 34949 1 143 . 1 . 1 22 22 PRO HB3 H 1 2.297857143 0.001456862718 . 2 . . . . A 22 PRO HB3 . 34949 1 144 . 1 . 1 22 22 PRO HG2 H 1 1.927833333 0.0006871842713 . 2 . . . . A 22 PRO HG2 . 34949 1 145 . 1 . 1 22 22 PRO HG3 H 1 1.997983338 0.001223472352 . 2 . . . . A 22 PRO HG3 . 34949 1 146 . 1 . 1 22 22 PRO HD2 H 1 3.637125 0.001053268719 . 2 . . . . A 22 PRO HD2 . 34949 1 147 . 1 . 1 22 22 PRO HD3 H 1 3.843125 0.002087911636 . 2 . . . . A 22 PRO HD3 . 34949 1 148 . 1 . 1 23 23 PRO HA H 1 2.325767346 0.002025388311 . 1 . . . . A 23 PRO HA . 34949 1 149 . 1 . 1 23 23 PRO HB2 H 1 0.634 0.003817254062 . 2 . . . . A 23 PRO HB2 . 34949 1 150 . 1 . 1 23 23 PRO HB3 H 1 1.431326393 0.00156414643 . 2 . . . . A 23 PRO HB3 . 34949 1 151 . 1 . 1 23 23 PRO HG2 H 1 1.637130755 0.002427516895 . 2 . . . . A 23 PRO HG2 . 34949 1 152 . 1 . 1 23 23 PRO HG3 H 1 1.779139936 0.001884650124 . 2 . . . . A 23 PRO HG3 . 34949 1 153 . 1 . 1 23 23 PRO HD2 H 1 3.456 0.002144761059 . 2 . . . . A 23 PRO HD2 . 34949 1 154 . 1 . 1 23 23 PRO HD3 H 1 3.510873733 0.002532175018 . 2 . . . . A 23 PRO HD3 . 34949 1 155 . 1 . 1 24 24 PRO HA H 1 4.178784599 0.0008388784535 . 1 . . . . A 24 PRO HA . 34949 1 156 . 1 . 1 24 24 PRO HB2 H 1 1.896920164 0.003337774058 . 2 . . . . A 24 PRO HB2 . 34949 1 157 . 1 . 1 24 24 PRO HB3 H 1 2.197051418 0.002126735032 . 2 . . . . A 24 PRO HB3 . 34949 1 158 . 1 . 1 24 24 PRO HG2 H 1 1.797554534 0.001039172545 . 2 . . . . A 24 PRO HG2 . 34949 1 159 . 1 . 1 24 24 PRO HG3 H 1 1.798069028 0.002767531246 . 2 . . . . A 24 PRO HG3 . 34949 1 160 . 1 . 1 24 24 PRO HD2 H 1 2.72763239 0.004148326921 . 2 . . . . A 24 PRO HD2 . 34949 1 161 . 1 . 1 24 24 PRO HD3 H 1 2.891774569 0.005282213736 . 2 . . . . A 24 PRO HD3 . 34949 1 162 . 1 . 1 25 25 CYS H H 1 7.358112605 0.001832428122 . 1 . . . . A 25 CYS H . 34949 1 163 . 1 . 1 25 25 CYS HA H 1 4.161333333 0.001699673173 . 1 . . . . A 25 CYS HA . 34949 1 164 . 1 . 1 25 25 CYS HB2 H 1 3.276008826 0.001414296182 . 2 . . . . A 25 CYS HB2 . 34949 1 165 . 1 . 1 25 25 CYS HB3 H 1 3.674921867 0.00219751276 . 2 . . . . A 25 CYS HB3 . 34949 1 stop_ save_