################################### # 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 34944 _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' . . . 34944 1 2 '2D 1H-1H TOCSY' . . . 34944 1 3 '2D 1H-1H NOESY' . . . 34944 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 3.963333333 0.0004714045158 . 1 . . . . A 1 GLU HA . 34944 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.0505 0.0015 . 2 . . . . A 1 GLU HB2 . 34944 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.0995 0.0005000000003 . 2 . . . . A 1 GLU HB3 . 34944 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.349333333 0.0004714045205 . 2 . . . . A 1 GLU HG2 . 34944 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.349333333 0.0004714045177 . 2 . . . . A 1 GLU HG3 . 34944 1 6 . 1 . 1 2 2 GLU HA H 1 4.2965 0.001607275128 . 1 . . . . A 2 GLU HA . 34944 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.0009 0.001513274595 . 2 . . . . A 2 GLU HB2 . 34944 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.151666667 0.002357022604 . 2 . . . . A 2 GLU HB3 . 34944 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.32975 0.001738054468 . 2 . . . . A 2 GLU HG2 . 34944 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.36825 0.0004330127034 . 2 . . . . A 2 GLU HG3 . 34944 1 11 . 1 . 1 3 3 GLU H H 1 8.917833333 0.001863389984 . 1 . . . . A 3 GLU H . 34944 1 12 . 1 . 1 3 3 GLU HA H 1 4.226 0.02594010194 . 1 . . . . A 3 GLU HA . 34944 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.095 0.000816496581 . 2 . . . . A 3 GLU HB2 . 34944 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.095 0.000816496581 . 2 . . . . A 3 GLU HB3 . 34944 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.3188 0.0007483314775 . 2 . . . . A 3 GLU HG2 . 34944 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.3188 0.0007483314775 . 2 . . . . A 3 GLU HG3 . 34944 1 17 . 1 . 1 4 4 CYS H H 1 8.6532 0.002227105735 . 1 . . . . A 4 CYS H . 34944 1 18 . 1 . 1 4 4 CYS HA H 1 4.429166667 0.002074983267 . 1 . . . . A 4 CYS HA . 34944 1 19 . 1 . 1 4 4 CYS HB2 H 1 2.916125 0.001165922383 . 2 . . . . A 4 CYS HB2 . 34944 1 20 . 1 . 1 4 4 CYS HB3 H 1 3.376333333 0.001490711985 . 2 . . . . A 4 CYS HB3 . 34944 1 21 . 1 . 1 5 5 VAL H H 1 7.779 0.001362770282 . 1 . . . . A 5 VAL H . 34944 1 22 . 1 . 1 5 5 VAL HA H 1 3.7189 0.002879236009 . 1 . . . . A 5 VAL HA . 34944 1 23 . 1 . 1 5 5 VAL HB H 1 2.160333333 0.001333333333 . 1 . . . . A 5 VAL HB . 34944 1 24 . 1 . 1 5 5 VAL HG11 H 1 0.9866666667 0.004371625683 . 2 . . . . A 5 VAL HG11 . 34944 1 25 . 1 . 1 5 5 VAL HG12 H 1 0.9866666667 0.004371625683 . 2 . . . . A 5 VAL HG12 . 34944 1 26 . 1 . 1 5 5 VAL HG13 H 1 0.9866666667 0.004371625683 . 2 . . . . A 5 VAL HG13 . 34944 1 27 . 1 . 1 5 5 VAL HG21 H 1 1.031842105 0.003543164775 . 2 . . . . A 5 VAL HG21 . 34944 1 28 . 1 . 1 5 5 VAL HG22 H 1 1.031842105 0.003543164775 . 2 . . . . A 5 VAL HG22 . 34944 1 29 . 1 . 1 5 5 VAL HG23 H 1 1.031842105 0.003543164775 . 2 . . . . A 5 VAL HG23 . 34944 1 30 . 1 . 1 6 6 ARG H H 1 7.741571429 0.001293626458 . 1 . . . . A 6 ARG H . 34944 1 31 . 1 . 1 6 6 ARG HA H 1 4.057333333 0.001659986613 . 1 . . . . A 6 ARG HA . 34944 1 32 . 1 . 1 6 6 ARG HB2 H 1 1.9485 0.0009574271075 . 2 . . . . A 6 ARG HB2 . 34944 1 33 . 1 . 1 6 6 ARG HB3 H 1 1.9819 0.002211334439 . 2 . . . . A 6 ARG HB3 . 34944 1 34 . 1 . 1 6 6 ARG HG2 H 1 1.623181818 0.0005749595739 . 2 . . . . A 6 ARG HG2 . 34944 1 35 . 1 . 1 6 6 ARG HG3 H 1 1.7569 0.0009433981134 . 2 . . . . A 6 ARG HG3 . 34944 1 36 . 1 . 1 6 6 ARG HD2 H 1 3.231 0.001936491673 . 2 . . . . A 6 ARG HD2 . 34944 1 37 . 1 . 1 6 6 ARG HD3 H 1 3.289125 0.002368411915 . 2 . . . . A 6 ARG HD3 . 34944 1 38 . 1 . 1 7 7 LEU H H 1 8.341066667 0.001388844455 . 1 . . . . A 7 LEU H . 34944 1 39 . 1 . 1 7 7 LEU HA H 1 4.146083333 0.002871072196 . 1 . . . . A 7 LEU HA . 34944 1 40 . 1 . 1 7 7 LEU HB2 H 1 1.334 0.001341640786 . 2 . . . . A 7 LEU HB2 . 34944 1 41 . 1 . 1 7 7 LEU HB3 H 1 2.026142857 0.0006388765654 . 2 . . . . A 7 LEU HB3 . 34944 1 42 . 1 . 1 7 7 LEU HG H 1 1.877 0.004527692569 . 1 . . . . A 7 LEU HG . 34944 1 43 . 1 . 1 7 7 LEU HD11 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD11 . 34944 1 44 . 1 . 1 7 7 LEU HD12 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD12 . 34944 1 45 . 1 . 1 7 7 LEU HD13 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD13 . 34944 1 46 . 1 . 1 7 7 LEU HD21 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD21 . 34944 1 47 . 1 . 1 7 7 LEU HD22 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD22 . 34944 1 48 . 1 . 1 7 7 LEU HD23 H 1 0.9075384615 0.003565116993 . 2 . . . . A 7 LEU HD23 . 34944 1 49 . 1 . 1 8 8 TYR H H 1 9.319111111 0.0009362388797 . 1 . . . . A 8 TYR H . 34944 1 50 . 1 . 1 8 8 TYR HA H 1 4.000466667 0.002963481437 . 1 . . . . A 8 TYR HA . 34944 1 51 . 1 . 1 8 8 TYR HB2 H 1 3.241692308 0.001065877422 . 2 . . . . A 8 TYR HB2 . 34944 1 52 . 1 . 1 8 8 TYR HB3 H 1 3.241692308 0.00106587742 . 2 . . . . A 8 TYR HB3 . 34944 1 53 . 1 . 1 8 8 TYR HD1 H 1 7.001419355 0.001809904526 . 3 . . . . A 8 TYR HD1 . 34944 1 54 . 1 . 1 8 8 TYR HD2 H 1 7.001419355 0.001809904526 . 3 . . . . A 8 TYR HD2 . 34944 1 55 . 1 . 1 8 8 TYR HE1 H 1 6.820136364 0.001937558315 . 3 . . . . A 8 TYR HE1 . 34944 1 56 . 1 . 1 8 8 TYR HE2 H 1 6.820136364 0.001937558315 . 3 . . . . A 8 TYR HE2 . 34944 1 57 . 1 . 1 9 9 ILE H H 1 8.449722222 0.002206192183 . 1 . . . . A 9 ILE H . 34944 1 58 . 1 . 1 9 9 ILE HA H 1 3.771611111 0.01049941209 . 1 . . . . A 9 ILE HA . 34944 1 59 . 1 . 1 9 9 ILE HB H 1 2.045066667 0.003434465833 . 1 . . . . A 9 ILE HB . 34944 1 60 . 1 . 1 9 9 ILE HG12 H 1 1.34 0.001253566341 . 2 . . . . A 9 ILE HG12 . 34944 1 61 . 1 . 1 9 9 ILE HG13 H 1 1.947266667 0.002719477074 . 2 . . . . A 9 ILE HG13 . 34944 1 62 . 1 . 1 9 9 ILE HG21 H 1 0.9493529412 0.001907914675 . 1 . . . . A 9 ILE HG21 . 34944 1 63 . 1 . 1 9 9 ILE HG22 H 1 0.9493529412 0.001907914675 . 1 . . . . A 9 ILE HG22 . 34944 1 64 . 1 . 1 9 9 ILE HG23 H 1 0.9493529412 0.001907914675 . 1 . . . . A 9 ILE HG23 . 34944 1 65 . 1 . 1 9 9 ILE HD11 H 1 0.9248571429 0.00482341229 . 1 . . . . A 9 ILE HD11 . 34944 1 66 . 1 . 1 9 9 ILE HD12 H 1 0.9248571429 0.00482341229 . 1 . . . . A 9 ILE HD12 . 34944 1 67 . 1 . 1 9 9 ILE HD13 H 1 0.9248571429 0.00482341229 . 1 . . . . A 9 ILE HD13 . 34944 1 68 . 1 . 1 10 10 GLN H H 1 7.570421053 0.001872678612 . 1 . . . . A 10 GLN H . 34944 1 69 . 1 . 1 10 10 GLN HA H 1 3.908583333 0.001753963763 . 1 . . . . A 10 GLN HA . 34944 1 70 . 1 . 1 10 10 GLN HB2 H 1 2.161916667 0.002956865833 . 2 . . . . A 10 GLN HB2 . 34944 1 71 . 1 . 1 10 10 GLN HB3 H 1 2.2395 0.004455333882 . 2 . . . . A 10 GLN HB3 . 34944 1 72 . 1 . 1 10 10 GLN HG2 H 1 2.401714286 0.002864276808 . 2 . . . . A 10 GLN HG2 . 34944 1 73 . 1 . 1 10 10 GLN HG3 H 1 2.450142857 0.0008329931273 . 2 . . . . A 10 GLN HG3 . 34944 1 74 . 1 . 1 10 10 GLN HE21 H 1 7.808 0.002000000005 . 1 . . . . A 10 GLN HE21 . 34944 1 75 . 1 . 1 10 10 GLN HE22 H 1 6.9422 0.001166190378 . 1 . . . . A 10 GLN HE22 . 34944 1 76 . 1 . 1 11 11 TRP H H 1 8.22525 0.001198957888 . 1 . . . . A 11 TRP H . 34944 1 77 . 1 . 1 11 11 TRP HA H 1 4.244875 0.002315032397 . 1 . . . . A 11 TRP HA . 34944 1 78 . 1 . 1 11 11 TRP HB2 H 1 3.0899375 0.01642965592 . 2 . . . . A 11 TRP HB2 . 34944 1 79 . 1 . 1 11 11 TRP HB3 H 1 3.534785714 0.003384387926 . 2 . . . . A 11 TRP HB3 . 34944 1 80 . 1 . 1 11 11 TRP HD1 H 1 6.9586875 0.0009164298976 . 1 . . . . A 11 TRP HD1 . 34944 1 81 . 1 . 1 11 11 TRP HE1 H 1 9.568588235 0.001784205986 . 1 . . . . A 11 TRP HE1 . 34944 1 82 . 1 . 1 11 11 TRP HE3 H 1 6.9345 0.007200694413 . 1 . . . . A 11 TRP HE3 . 34944 1 83 . 1 . 1 11 11 TRP HZ2 H 1 7.158866667 0.001627540748 . 1 . . . . A 11 TRP HZ2 . 34944 1 84 . 1 . 1 11 11 TRP HZ3 H 1 7.077857143 0.001245399702 . 1 . . . . A 11 TRP HZ3 . 34944 1 85 . 1 . 1 11 11 TRP HH2 H 1 7.1924 0.001854723697 . 1 . . . . A 11 TRP HH2 . 34944 1 86 . 1 . 1 12 12 LEU H H 1 8.585111111 0.001486565341 . 1 . . . . A 12 LEU H . 34944 1 87 . 1 . 1 12 12 LEU HA H 1 3.392642857 0.007256594468 . 1 . . . . A 12 LEU HA . 34944 1 88 . 1 . 1 12 12 LEU HB2 H 1 1.3595 0.005188127472 . 2 . . . . A 12 LEU HB2 . 34944 1 89 . 1 . 1 12 12 LEU HB3 H 1 2.063153846 0.002824239961 . 2 . . . . A 12 LEU HB3 . 34944 1 90 . 1 . 1 12 12 LEU HG H 1 1.849214286 0.002076348836 . 1 . . . . A 12 LEU HG . 34944 1 91 . 1 . 1 12 12 LEU HD11 H 1 0.8543913043 0.001950231434 . 2 . . . . A 12 LEU HD11 . 34944 1 92 . 1 . 1 12 12 LEU HD12 H 1 0.8543913043 0.001950231434 . 2 . . . . A 12 LEU HD12 . 34944 1 93 . 1 . 1 12 12 LEU HD13 H 1 0.8543913043 0.001950231434 . 2 . . . . A 12 LEU HD13 . 34944 1 94 . 1 . 1 12 12 LEU HD21 H 1 1.034217391 0.001586807617 . 2 . . . . A 12 LEU HD21 . 34944 1 95 . 1 . 1 12 12 LEU HD22 H 1 1.034217391 0.001586807617 . 2 . . . . A 12 LEU HD22 . 34944 1 96 . 1 . 1 12 12 LEU HD23 H 1 1.034217391 0.001586807617 . 2 . . . . A 12 LEU HD23 . 34944 1 97 . 1 . 1 13 13 LYS H H 1 8.289764706 0.0008065476328 . 1 . . . . A 13 LYS H . 34944 1 98 . 1 . 1 13 13 LYS HA H 1 3.925 0.0068556546 . 1 . . . . A 13 LYS HA . 34944 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.945571429 0.001678191447 . 2 . . . . A 13 LYS HB2 . 34944 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.945571429 0.001678191447 . 2 . . . . A 13 LYS HB3 . 34944 1 101 . 1 . 1 13 13 LYS HG2 H 1 1.441714286 0.001030157508 . 2 . . . . A 13 LYS HG2 . 34944 1 102 . 1 . 1 13 13 LYS HG3 H 1 1.441714286 0.001030157507 . 2 . . . . A 13 LYS HG3 . 34944 1 103 . 1 . 1 13 13 LYS HD2 H 1 1.579888889 0.002233305694 . 2 . . . . A 13 LYS HD2 . 34944 1 104 . 1 . 1 13 13 LYS HD3 H 1 1.6262 0.0024 . 2 . . . . A 13 LYS HD3 . 34944 1 105 . 1 . 1 13 13 LYS HE2 H 1 2.925571429 0.00255550626 . 2 . . . . A 13 LYS HE2 . 34944 1 106 . 1 . 1 13 13 LYS HE3 H 1 2.925571429 0.00255550626 . 2 . . . . A 13 LYS HE3 . 34944 1 107 . 1 . 1 14 14 ASP H H 1 7.911125 0.002847696439 . 1 . . . . A 14 ASP H . 34944 1 108 . 1 . 1 14 14 ASP HA H 1 4.54875 0.001479019946 . 1 . . . . A 14 ASP HA . 34944 1 109 . 1 . 1 14 14 ASP HB2 H 1 2.733 0.006649979114 . 2 . . . . A 14 ASP HB2 . 34944 1 110 . 1 . 1 14 14 ASP HB3 H 1 2.9109 0.001640121947 . 2 . . . . A 14 ASP HB3 . 34944 1 111 . 1 . 1 15 15 GLY H H 1 7.506357143 0.003014421122 . 1 . . . . A 15 GLY H . 34944 1 112 . 1 . 1 15 15 GLY HA2 H 1 3.456 0.002121320344 . 2 . . . . A 15 GLY HA2 . 34944 1 113 . 1 . 1 15 15 GLY HA3 H 1 4.172571429 0.001178030179 . 2 . . . . A 15 GLY HA3 . 34944 1 114 . 1 . 1 16 16 GLY H H 1 8.532076923 0.001542302888 . 1 . . . . A 16 GLY H . 34944 1 115 . 1 . 1 16 16 GLY HA2 H 1 0.65425 0.001233220716 . 2 . . . . A 16 GLY HA2 . 34944 1 116 . 1 . 1 16 16 GLY HA3 H 1 3.055375 0.001576190026 . 2 . . . . A 16 GLY HA3 . 34944 1 117 . 1 . 1 17 17 PRO HA H 1 4.605888889 0.001791612836 . 1 . . . . A 17 PRO HA . 34944 1 118 . 1 . 1 17 17 PRO HB2 H 1 2.054285714 0.001484614978 . 2 . . . . A 17 PRO HB2 . 34944 1 119 . 1 . 1 17 17 PRO HB3 H 1 2.533857143 0.001551825785 . 2 . . . . A 17 PRO HB3 . 34944 1 120 . 1 . 1 17 17 PRO HG2 H 1 2.166 0.002309401077 . 2 . . . . A 17 PRO HG2 . 34944 1 121 . 1 . 1 17 17 PRO HG3 H 1 2.166 0.002309401077 . 2 . . . . A 17 PRO HG3 . 34944 1 122 . 1 . 1 17 17 PRO HD2 H 1 3.3783 0.003348133808 . 2 . . . . A 17 PRO HD2 . 34944 1 123 . 1 . 1 17 17 PRO HD3 H 1 3.8163 0.005119570295 . 2 . . . . A 17 PRO HD3 . 34944 1 124 . 1 . 1 18 18 SER H H 1 7.645 0.003316624792 . 1 . . . . A 18 SER H . 34944 1 125 . 1 . 1 18 18 SER HA H 1 4.4692 0.002561249695 . 1 . . . . A 18 SER HA . 34944 1 126 . 1 . 1 18 18 SER HB2 H 1 3.909666667 0.003496029494 . 2 . . . . A 18 SER HB2 . 34944 1 127 . 1 . 1 18 18 SER HB3 H 1 3.945666667 0.001795054935 . 2 . . . . A 18 SER HB3 . 34944 1 128 . 1 . 1 19 19 SER H H 1 8.1897 0.001900000009 . 1 . . . . A 19 SER H . 34944 1 129 . 1 . 1 19 19 SER HA H 1 4.1364 0.001854723699 . 1 . . . . A 19 SER HA . 34944 1 130 . 1 . 1 19 19 SER HB2 H 1 3.4735 0.001284523258 . 2 . . . . A 19 SER HB2 . 34944 1 131 . 1 . 1 19 19 SER HB3 H 1 3.854090909 0.002065057579 . 2 . . . . A 19 SER HB3 . 34944 1 132 . 1 . 1 19 19 SER HG H 1 4.7104 0.002059126027 . 1 . . . . A 19 SER HG . 34944 1 133 . 1 . 1 20 20 GLY H H 1 7.868142857 0.002294625483 . 1 . . . . A 20 GLY H . 34944 1 134 . 1 . 1 20 20 GLY HA2 H 1 3.782666667 0.0009428090429 . 2 . . . . A 20 GLY HA2 . 34944 1 135 . 1 . 1 20 20 GLY HA3 H 1 4.303333333 0.001699673173 . 2 . . . . A 20 GLY HA3 . 34944 1 136 . 1 . 1 21 21 ARG H H 1 8.128416667 0.003252136046 . 1 . . . . A 21 ARG H . 34944 1 137 . 1 . 1 21 21 ARG HA H 1 5.043555556 0.002314740739 . 1 . . . . A 21 ARG HA . 34944 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.8042 0.005528109984 . 2 . . . . A 21 ARG HB2 . 34944 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.893666667 0.001632993162 . 2 . . . . A 21 ARG HB3 . 34944 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.64875 0.002586020108 . 2 . . . . A 21 ARG HG2 . 34944 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.64875 0.002586020108 . 2 . . . . A 21 ARG HG3 . 34944 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.235142857 0.0009897433196 . 2 . . . . A 21 ARG HD2 . 34944 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.308571429 0.001590789818 . 2 . . . . A 21 ARG HD3 . 34944 1 144 . 1 . 1 22 22 PRO HA H 1 4.754545455 0.01290781044 . 1 . . . . A 22 PRO HA . 34944 1 145 . 1 . 1 22 22 PRO HB2 H 1 1.776 0.002260776661 . 2 . . . . A 22 PRO HB2 . 34944 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.322222222 0.00229868454 . 2 . . . . A 22 PRO HB3 . 34944 1 147 . 1 . 1 22 22 PRO HG2 H 1 1.9255 0.004425306016 . 2 . . . . A 22 PRO HG2 . 34944 1 148 . 1 . 1 22 22 PRO HG3 H 1 2.000833333 0.001950783318 . 2 . . . . A 22 PRO HG3 . 34944 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.6475 0.002645751311 . 2 . . . . A 22 PRO HD2 . 34944 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.8471 0.003176476035 . 2 . . . . A 22 PRO HD3 . 34944 1 151 . 1 . 1 23 23 PRO HA H 1 2.235133333 0.001707499797 . 1 . . . . A 23 PRO HA . 34944 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.5370666667 0.0019821425 . 2 . . . . A 23 PRO HB2 . 34944 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.4228 0.002925747768 . 2 . . . . A 23 PRO HB3 . 34944 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.662545455 0.002349608724 . 2 . . . . A 23 PRO HG2 . 34944 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.7735 0.001414213563 . 2 . . . . A 23 PRO HG3 . 34944 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.472909091 0.002466301812 . 2 . . . . A 23 PRO HD2 . 34944 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.518 0.002144761059 . 2 . . . . A 23 PRO HD3 . 34944 1 158 . 1 . 1 24 24 PRO HA H 1 4.192166667 0.0006871842709 . 1 . . . . A 24 PRO HA . 34944 1 159 . 1 . 1 24 24 PRO HB2 H 1 1.919285714 0.002185294077 . 2 . . . . A 24 PRO HB2 . 34944 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.228 0.004 . 2 . . . . A 24 PRO HB3 . 34944 1 161 . 1 . 1 24 24 PRO HG3 H 1 1.834 0.002374102701 . 2 . . . . A 24 PRO HG3 . 34944 1 162 . 1 . 1 24 24 PRO HD2 H 1 2.7535625 0.003622305033 . 2 . . . . A 24 PRO HD2 . 34944 1 163 . 1 . 1 24 24 PRO HD3 H 1 2.924111111 0.001629208701 . 2 . . . . A 24 PRO HD3 . 34944 1 164 . 1 . 1 25 25 CYS H H 1 7.498363636 0.001067940015 . 1 . . . . A 25 CYS H . 34944 1 165 . 1 . 1 25 25 CYS HA H 1 4.146 0.008860022574 . 1 . . . . A 25 CYS HA . 34944 1 166 . 1 . 1 25 25 CYS HB2 H 1 3.2902 0.0007483314798 . 2 . . . . A 25 CYS HB2 . 34944 1 167 . 1 . 1 25 25 CYS HB3 H 1 3.727428571 0.001178030178 . 2 . . . . A 25 CYS HB3 . 34944 1 stop_ save_