################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 36459 _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 $chemical_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-13C HSQC' 1 $sample_1 anisotropic 36459 1 2 '2D 1H-15N HSQC' 1 $sample_1 anisotropic 36459 1 3 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36459 1 4 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36459 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 GLY CA C 13 40.499 0.00 . 1 . . . . A 1 GLY CA . 36459 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.727 0.00 . . . . . . A 1 GLY HA3 . 36459 1 3 . 1 . 1 2 2 CYS CA C 13 50.545 0.00 . 1 . . . . A 2 CYS CA . 36459 1 4 . 1 . 1 2 2 CYS CB C 13 38.526 0.00 . 1 . . . . A 2 CYS CB . 36459 1 5 . 1 . 1 2 2 CYS H H 1 8.515 0.00 . 1 . . . . A 2 CYS H . 36459 1 6 . 1 . 1 2 2 CYS HA H 1 4.960 0.00 . 1 . . . . A 2 CYS HA . 36459 1 7 . 1 . 1 2 2 CYS HB2 H 1 3.168 0.00 . . . . . . A 2 CYS HB2 . 36459 1 8 . 1 . 1 2 2 CYS HB3 H 1 2.764 0.00 . . . . . . A 2 CYS HB3 . 36459 1 9 . 1 . 1 2 2 CYS N N 15 119.014 0.00 . 1 . . . . A 2 CYS N . 36459 1 10 . 1 . 1 3 3 PRO CA C 13 58.890 0.00 . 1 . . . . A 3 PRO CA . 36459 1 11 . 1 . 1 3 3 PRO CB C 13 28.123 0.00 . 1 . . . . A 3 PRO CB . 36459 1 12 . 1 . 1 3 3 PRO CD C 13 47.848 0.00 . 1 . . . . A 3 PRO CD . 36459 1 13 . 1 . 1 3 3 PRO CG C 13 24.796 0.00 . 1 . . . . A 3 PRO CG . 36459 1 14 . 1 . 1 3 3 PRO HA H 1 4.610 0.01 . 1 . . . . A 3 PRO HA . 36459 1 15 . 1 . 1 3 3 PRO HB2 H 1 2.279 0.00 . . . . . . A 3 PRO HB2 . 36459 1 16 . 1 . 1 3 3 PRO HB3 H 1 1.869 0.00 . . . . . . A 3 PRO HB3 . 36459 1 17 . 1 . 1 3 3 PRO HD2 H 1 3.808 0.00 . . . . . . A 3 PRO HD2 . 36459 1 18 . 1 . 1 3 3 PRO HD3 H 1 3.612 0.00 . . . . . . A 3 PRO HD3 . 36459 1 19 . 1 . 1 3 3 PRO HG2 H 1 1.982 0.01 . . . . . . A 3 PRO HG2 . 36459 1 20 . 1 . 1 4 4 PRO CA C 13 60.312 0.00 . 1 . . . . A 4 PRO CA . 36459 1 21 . 1 . 1 4 4 PRO CB C 13 29.044 0.00 . 1 . . . . A 4 PRO CB . 36459 1 22 . 1 . 1 4 4 PRO CD C 13 47.543 0.00 . 1 . . . . A 4 PRO CD . 36459 1 23 . 1 . 1 4 4 PRO CG C 13 24.691 0.00 . 1 . . . . A 4 PRO CG . 36459 1 24 . 1 . 1 4 4 PRO HA H 1 4.282 0.00 . 1 . . . . A 4 PRO HA . 36459 1 25 . 1 . 1 4 4 PRO HB2 H 1 2.129 0.00 . . . . . . A 4 PRO HB2 . 36459 1 26 . 1 . 1 4 4 PRO HB3 H 1 1.751 0.00 . . . . . . A 4 PRO HB3 . 36459 1 27 . 1 . 1 4 4 PRO HD2 H 1 3.663 0.00 . . . . . . A 4 PRO HD2 . 36459 1 28 . 1 . 1 4 4 PRO HD3 H 1 3.539 0.00 . . . . . . A 4 PRO HD3 . 36459 1 29 . 1 . 1 4 4 PRO HG2 H 1 1.905 0.00 . . . . . . A 4 PRO HG2 . 36459 1 30 . 1 . 1 5 5 CYS CA C 13 53.009 0.00 . 1 . . . . A 5 CYS CA . 36459 1 31 . 1 . 1 5 5 CYS CB C 13 38.554 0.00 . 1 . . . . A 5 CYS CB . 36459 1 32 . 1 . 1 5 5 CYS H H 1 8.096 0.00 . 1 . . . . A 5 CYS H . 36459 1 33 . 1 . 1 5 5 CYS HA H 1 4.581 0.00 . 1 . . . . A 5 CYS HA . 36459 1 34 . 1 . 1 5 5 CYS HB2 H 1 3.116 0.00 . . . . . . A 5 CYS HB2 . 36459 1 35 . 1 . 1 5 5 CYS HB3 H 1 3.067 0.00 . . . . . . A 5 CYS HB3 . 36459 1 36 . 1 . 1 6 6 GLU CA C 13 53.807 0.00 . 1 . . . . A 6 GLU CA . 36459 1 37 . 1 . 1 6 6 GLU CB C 13 26.244 0.00 . 1 . . . . A 6 GLU CB . 36459 1 38 . 1 . 1 6 6 GLU CG C 13 30.162 0.00 . 1 . . . . A 6 GLU CG . 36459 1 39 . 1 . 1 6 6 GLU H H 1 8.275 0.00 . 1 . . . . A 6 GLU H . 36459 1 40 . 1 . 1 6 6 GLU HA H 1 4.274 0.01 . 1 . . . . A 6 GLU HA . 36459 1 41 . 1 . 1 6 6 GLU HB2 H 1 2.053 0.00 . . . . . . A 6 GLU HB2 . 36459 1 42 . 1 . 1 6 6 GLU HB3 H 1 1.876 0.00 . . . . . . A 6 GLU HB3 . 36459 1 43 . 1 . 1 6 6 GLU HG2 H 1 2.392 0.01 . . . . . . A 6 GLU HG2 . 36459 1 44 . 1 . 1 6 6 GLU N N 15 123.103 0.00 . 1 . . . . A 6 GLU N . 36459 1 45 . 1 . 1 7 7 SER CA C 13 55.976 0.00 . 1 . . . . A 7 SER CA . 36459 1 46 . 1 . 1 7 7 SER CB C 13 61.168 0.00 . 1 . . . . A 7 SER CB . 36459 1 47 . 1 . 1 7 7 SER H H 1 7.849 0.00 . 1 . . . . A 7 SER H . 36459 1 48 . 1 . 1 7 7 SER HA H 1 4.354 0.00 . 1 . . . . A 7 SER HA . 36459 1 49 . 1 . 1 7 7 SER HB2 H 1 3.743 0.00 . . . . . . A 7 SER HB2 . 36459 1 50 . 1 . 1 7 7 SER N N 15 119.893 0.00 . 1 . . . . A 7 SER N . 36459 1 51 . 1 . 1 8 8 CYS CA C 13 53.028 0.00 . 1 . . . . A 8 CYS CA . 36459 1 52 . 1 . 1 8 8 CYS CB C 13 38.968 0.02 . 1 . . . . A 8 CYS CB . 36459 1 53 . 1 . 1 8 8 CYS H H 1 7.852 0.00 . 1 . . . . A 8 CYS H . 36459 1 54 . 1 . 1 8 8 CYS HA H 1 4.633 0.00 . 1 . . . . A 8 CYS HA . 36459 1 55 . 1 . 1 8 8 CYS HB2 H 1 2.984 0.00 . . . . . . A 8 CYS HB2 . 36459 1 56 . 1 . 1 8 8 CYS HB3 H 1 2.824 0.00 . . . . . . A 8 CYS HB3 . 36459 1 57 . 1 . 1 8 8 CYS N N 15 119.876 0.00 . 1 . . . . A 8 CYS N . 36459 1 58 . 1 . 1 9 9 HIS CA C 13 52.419 0.00 . 1 . . . . A 9 HIS CA . 36459 1 59 . 1 . 1 9 9 HIS CB C 13 26.829 0.01 . 1 . . . . A 9 HIS CB . 36459 1 60 . 1 . 1 9 9 HIS H H 1 8.111 0.00 . 1 . . . . A 9 HIS H . 36459 1 61 . 1 . 1 9 9 HIS HA H 1 4.679 0.00 . 1 . . . . A 9 HIS HA . 36459 1 62 . 1 . 1 9 9 HIS HB2 H 1 3.192 0.00 . . . . . . A 9 HIS HB2 . 36459 1 63 . 1 . 1 9 9 HIS HB3 H 1 3.052 0.00 . . . . . . A 9 HIS HB3 . 36459 1 64 . 1 . 1 9 9 HIS HD2 H 1 7.213 0.00 . 1 . . . . A 9 HIS HD2 . 36459 1 65 . 1 . 1 9 9 HIS HE1 H 1 8.495 0.00 . 1 . . . . A 9 HIS HE1 . 36459 1 66 . 1 . 1 9 9 HIS N N 15 119.291 0.00 . 1 . . . . A 9 HIS N . 36459 1 67 . 1 . 1 10 10 SER CA C 13 56.334 0.00 . 1 . . . . A 10 SER CA . 36459 1 68 . 1 . 1 10 10 SER CB C 13 60.937 0.00 . 1 . . . . A 10 SER CB . 36459 1 69 . 1 . 1 10 10 SER H H 1 8.195 0.00 . 1 . . . . A 10 SER H . 36459 1 70 . 1 . 1 10 10 SER HA H 1 4.319 0.00 . 1 . . . . A 10 SER HA . 36459 1 71 . 1 . 1 10 10 SER HB2 H 1 3.800 0.00 . . . . . . A 10 SER HB2 . 36459 1 72 . 1 . 1 10 10 SER N N 15 115.732 0.00 . 1 . . . . A 10 SER N . 36459 1 73 . 1 . 1 11 11 GLY CA C 13 42.749 0.00 . 1 . . . . A 11 GLY CA . 36459 1 74 . 1 . 1 11 11 GLY H H 1 8.367 0.00 . 1 . . . . A 11 GLY H . 36459 1 75 . 1 . 1 11 11 GLY HA2 H 1 4.056 0.00 . . . . . . A 11 GLY HA2 . 36459 1 76 . 1 . 1 11 11 GLY HA3 H 1 3.737 0.00 . . . . . . A 11 GLY HA3 . 36459 1 77 . 1 . 1 11 11 GLY N N 15 111.421 0.00 . 1 . . . . A 11 GLY N . 36459 1 78 . 1 . 1 12 12 GLU CA C 13 53.035 0.00 . 1 . . . . A 12 GLU CA . 36459 1 79 . 1 . 1 12 12 GLU CB C 13 26.468 0.00 . 1 . . . . A 12 GLU CB . 36459 1 80 . 1 . 1 12 12 GLU CG C 13 30.295 0.00 . 1 . . . . A 12 GLU CG . 36459 1 81 . 1 . 1 12 12 GLU H H 1 7.873 0.00 . 1 . . . . A 12 GLU H . 36459 1 82 . 1 . 1 12 12 GLU HA H 1 4.301 0.00 . 1 . . . . A 12 GLU HA . 36459 1 83 . 1 . 1 12 12 GLU HB2 H 1 2.050 0.00 . . . . . . A 12 GLU HB2 . 36459 1 84 . 1 . 1 12 12 GLU HB3 H 1 1.912 0.00 . . . . . . A 12 GLU HB3 . 36459 1 85 . 1 . 1 12 12 GLU HG2 H 1 2.316 0.00 . . . . . . A 12 GLU HG2 . 36459 1 86 . 1 . 1 12 12 GLU N N 15 115.552 0.00 . 1 . . . . A 12 GLU N . 36459 1 87 . 1 . 1 13 13 SER CA C 13 55.413 0.00 . 1 . . . . A 13 SER CA . 36459 1 88 . 1 . 1 13 13 SER CB C 13 61.221 0.00 . 1 . . . . A 13 SER CB . 36459 1 89 . 1 . 1 13 13 SER H H 1 8.084 0.00 . 1 . . . . A 13 SER H . 36459 1 90 . 1 . 1 13 13 SER HA H 1 4.443 0.00 . 1 . . . . A 13 SER HA . 36459 1 91 . 1 . 1 13 13 SER HB2 H 1 3.952 0.00 . . . . . . A 13 SER HB2 . 36459 1 92 . 1 . 1 13 13 SER HB3 H 1 3.836 0.00 . . . . . . A 13 SER HB3 . 36459 1 93 . 1 . 1 13 13 SER N N 15 115.349 0.00 . 1 . . . . A 13 SER N . 36459 1 94 . 1 . 1 14 14 THR CA C 13 60.180 0.00 . 1 . . . . A 14 THR CA . 36459 1 95 . 1 . 1 14 14 THR CB C 13 67.071 0.00 . 1 . . . . A 14 THR CB . 36459 1 96 . 1 . 1 14 14 THR CG2 C 13 19.184 0.00 . 1 . . . . A 14 THR CG2 . 36459 1 97 . 1 . 1 14 14 THR H H 1 7.875 0.00 . 1 . . . . A 14 THR H . 36459 1 98 . 1 . 1 14 14 THR HA H 1 4.206 0.00 . 1 . . . . A 14 THR HA . 36459 1 99 . 1 . 1 14 14 THR HB H 1 4.083 0.01 . 1 . . . . A 14 THR HB . 36459 1 100 . 1 . 1 14 14 THR HG21 H 1 1.104 0.00 . 1 . . . . A 14 THR HG21 . 36459 1 101 . 1 . 1 14 14 THR HG22 H 1 1.104 0.00 . 1 . . . . A 14 THR HG22 . 36459 1 102 . 1 . 1 14 14 THR HG23 H 1 1.104 0.00 . 1 . . . . A 14 THR HG23 . 36459 1 103 . 1 . 1 14 14 THR N N 15 118.939 0.00 . 1 . . . . A 14 THR N . 36459 1 104 . 1 . 1 15 15 PHE CA C 13 57.460 0.00 . 1 . . . . A 15 PHE CA . 36459 1 105 . 1 . 1 15 15 PHE CB C 13 36.724 0.00 . 1 . . . . A 15 PHE CB . 36459 1 106 . 1 . 1 15 15 PHE H H 1 7.996 0.00 . 1 . . . . A 15 PHE H . 36459 1 107 . 1 . 1 15 15 PHE HA H 1 4.268 0.00 . 1 . . . . A 15 PHE HA . 36459 1 108 . 1 . 1 15 15 PHE HB2 H 1 2.945 0.00 . . . . . . A 15 PHE HB2 . 36459 1 109 . 1 . 1 15 15 PHE HB3 H 1 2.737 0.00 . . . . . . A 15 PHE HB3 . 36459 1 110 . 1 . 1 15 15 PHE HD1 H 1 6.823 0.00 . . . . . . A 15 PHE HD1 . 36459 1 111 . 1 . 1 15 15 PHE HD2 H 1 6.825 0.00 . . . . . . A 15 PHE HD2 . 36459 1 112 . 1 . 1 15 15 PHE HE1 H 1 6.979 0.00 . . . . . . A 15 PHE HE1 . 36459 1 113 . 1 . 1 15 15 PHE HE2 H 1 6.981 0.00 . . . . . . A 15 PHE HE2 . 36459 1 114 . 1 . 1 15 15 PHE HZ H 1 6.500 0.00 . 1 . . . . A 15 PHE HZ . 36459 1 115 . 1 . 1 15 15 PHE N N 15 120.508 0.00 . 1 . . . . A 15 PHE N . 36459 1 116 . 1 . 1 16 16 TRP CA C 13 56.022 0.00 . 1 . . . . A 16 TRP CA . 36459 1 117 . 1 . 1 16 16 TRP CB C 13 26.755 0.01 . 1 . . . . A 16 TRP CB . 36459 1 118 . 1 . 1 16 16 TRP H H 1 7.601 0.00 . 1 . . . . A 16 TRP H . 36459 1 119 . 1 . 1 16 16 TRP HA H 1 4.431 0.00 . 1 . . . . A 16 TRP HA . 36459 1 120 . 1 . 1 16 16 TRP HB2 H 1 3.293 0.00 . . . . . . A 16 TRP HB2 . 36459 1 121 . 1 . 1 16 16 TRP HB3 H 1 3.088 0.00 . . . . . . A 16 TRP HB3 . 36459 1 122 . 1 . 1 16 16 TRP HD1 H 1 7.127 0.00 . 1 . . . . A 16 TRP HD1 . 36459 1 123 . 1 . 1 16 16 TRP HE1 H 1 9.907 0.00 . 1 . . . . A 16 TRP HE1 . 36459 1 124 . 1 . 1 16 16 TRP HE3 H 1 7.486 0.00 . 1 . . . . A 16 TRP HE3 . 36459 1 125 . 1 . 1 16 16 TRP HH2 H 1 7.075 0.00 . 1 . . . . A 16 TRP HH2 . 36459 1 126 . 1 . 1 16 16 TRP HZ2 H 1 7.370 0.00 . 1 . . . . A 16 TRP HZ2 . 36459 1 127 . 1 . 1 16 16 TRP HZ3 H 1 6.882 0.00 . 1 . . . . A 16 TRP HZ3 . 36459 1 128 . 1 . 1 16 16 TRP N N 15 117.957 0.00 . 1 . . . . A 16 TRP N . 36459 1 129 . 1 . 1 16 16 TRP NE1 N 15 128.533 0.00 . 1 . . . . A 16 TRP NE1 . 36459 1 130 . 1 . 1 17 17 CYS CA C 13 53.739 0.00 . 1 . . . . A 17 CYS CA . 36459 1 131 . 1 . 1 17 17 CYS CB C 13 38.909 0.00 . 1 . . . . A 17 CYS CB . 36459 1 132 . 1 . 1 17 17 CYS H H 1 7.899 0.00 . 1 . . . . A 17 CYS H . 36459 1 133 . 1 . 1 17 17 CYS HA H 1 4.288 0.00 . 1 . . . . A 17 CYS HA . 36459 1 134 . 1 . 1 17 17 CYS HB2 H 1 2.950 0.00 . . . . . . A 17 CYS HB2 . 36459 1 135 . 1 . 1 17 17 CYS N N 15 116.874 0.00 . 1 . . . . A 17 CYS N . 36459 1 136 . 1 . 1 18 18 TYR CA C 13 57.182 0.00 . 1 . . . . A 18 TYR CA . 36459 1 137 . 1 . 1 18 18 TYR CB C 13 35.590 0.01 . 1 . . . . A 18 TYR CB . 36459 1 138 . 1 . 1 18 18 TYR H H 1 7.850 0.00 . 1 . . . . A 18 TYR H . 36459 1 139 . 1 . 1 18 18 TYR HA H 1 4.168 0.00 . 1 . . . . A 18 TYR HA . 36459 1 140 . 1 . 1 18 18 TYR HB2 H 1 2.732 0.00 . . . . . . A 18 TYR HB2 . 36459 1 141 . 1 . 1 18 18 TYR HB3 H 1 2.695 0.00 . . . . . . A 18 TYR HB3 . 36459 1 142 . 1 . 1 18 18 TYR HD1 H 1 6.689 0.00 . . . . . . A 18 TYR HD1 . 36459 1 143 . 1 . 1 18 18 TYR HD2 H 1 6.688 0.00 . . . . . . A 18 TYR HD2 . 36459 1 144 . 1 . 1 18 18 TYR HE1 H 1 6.490 0.00 . . . . . . A 18 TYR HE1 . 36459 1 145 . 1 . 1 18 18 TYR HE2 H 1 6.498 0.00 . . . . . . A 18 TYR HE2 . 36459 1 146 . 1 . 1 18 18 TYR N N 15 113.974 0.00 . 1 . . . . A 18 TYR N . 36459 1 147 . 1 . 1 19 19 TRP CA C 13 55.589 0.00 . 1 . . . . A 19 TRP CA . 36459 1 148 . 1 . 1 19 19 TRP CB C 13 26.707 0.00 . 1 . . . . A 19 TRP CB . 36459 1 149 . 1 . 1 19 19 TRP H H 1 7.720 0.00 . 1 . . . . A 19 TRP H . 36459 1 150 . 1 . 1 19 19 TRP HA H 1 4.364 0.01 . 1 . . . . A 19 TRP HA . 36459 1 151 . 1 . 1 19 19 TRP HB2 H 1 3.258 0.00 . . . . . . A 19 TRP HB2 . 36459 1 152 . 1 . 1 19 19 TRP HB3 H 1 2.942 0.00 . . . . . . A 19 TRP HB3 . 36459 1 153 . 1 . 1 19 19 TRP HD1 H 1 6.953 0.00 . 1 . . . . A 19 TRP HD1 . 36459 1 154 . 1 . 1 19 19 TRP HE1 H 1 9.705 0.00 . 1 . . . . A 19 TRP HE1 . 36459 1 155 . 1 . 1 19 19 TRP HE3 H 1 7.444 0.00 . 1 . . . . A 19 TRP HE3 . 36459 1 156 . 1 . 1 19 19 TRP HH2 H 1 7.113 0.00 . 1 . . . . A 19 TRP HH2 . 36459 1 157 . 1 . 1 19 19 TRP HZ2 H 1 7.376 0.00 . 1 . . . . A 19 TRP HZ2 . 36459 1 158 . 1 . 1 19 19 TRP HZ3 H 1 6.992 0.00 . 1 . . . . A 19 TRP HZ3 . 36459 1 159 . 1 . 1 19 19 TRP N N 15 119.086 0.00 . 1 . . . . A 19 TRP N . 36459 1 160 . 1 . 1 19 19 TRP NE1 N 15 128.165 0.00 . 1 . . . . A 19 TRP NE1 . 36459 1 161 . 1 . 1 20 20 GLU CA C 13 53.987 0.00 . 1 . . . . A 20 GLU CA . 36459 1 162 . 1 . 1 20 20 GLU CB C 13 25.705 0.02 . 1 . . . . A 20 GLU CB . 36459 1 163 . 1 . 1 20 20 GLU CG C 13 30.053 0.03 . 1 . . . . A 20 GLU CG . 36459 1 164 . 1 . 1 20 20 GLU H H 1 7.715 0.00 . 1 . . . . A 20 GLU H . 36459 1 165 . 1 . 1 20 20 GLU HA H 1 4.077 0.00 . 1 . . . . A 20 GLU HA . 36459 1 166 . 1 . 1 20 20 GLU HB2 H 1 1.999 0.01 . . . . . . A 20 GLU HB2 . 36459 1 167 . 1 . 1 20 20 GLU HB3 H 1 1.795 0.00 . . . . . . A 20 GLU HB3 . 36459 1 168 . 1 . 1 20 20 GLU HG2 H 1 2.238 0.00 . . . . . . A 20 GLU HG2 . 36459 1 169 . 1 . 1 20 20 GLU HG3 H 1 2.181 0.00 . . . . . . A 20 GLU HG3 . 36459 1 170 . 1 . 1 20 20 GLU N N 15 117.431 0.00 . 1 . . . . A 20 GLU N . 36459 1 171 . 1 . 1 21 21 ALA CA C 13 50.394 0.00 . 1 . . . . A 21 ALA CA . 36459 1 172 . 1 . 1 21 21 ALA CB C 13 15.822 0.00 . 1 . . . . A 21 ALA CB . 36459 1 173 . 1 . 1 21 21 ALA H H 1 7.757 0.00 . 1 . . . . A 21 ALA H . 36459 1 174 . 1 . 1 21 21 ALA HA H 1 4.087 0.00 . 1 . . . . A 21 ALA HA . 36459 1 175 . 1 . 1 21 21 ALA HB1 H 1 1.272 0.01 . 1 . . . . A 21 ALA HB1 . 36459 1 176 . 1 . 1 21 21 ALA HB2 H 1 1.272 0.01 . 1 . . . . A 21 ALA HB2 . 36459 1 177 . 1 . 1 21 21 ALA HB3 H 1 1.272 0.01 . 1 . . . . A 21 ALA HB3 . 36459 1 178 . 1 . 1 21 21 ALA N N 15 120.282 0.00 . 1 . . . . A 21 ALA N . 36459 1 179 . 1 . 1 22 22 LEU CA C 13 52.061 0.00 . 1 . . . . A 22 LEU CA . 36459 1 180 . 1 . 1 22 22 LEU CB C 13 39.450 0.02 . 1 . . . . A 22 LEU CB . 36459 1 181 . 1 . 1 22 22 LEU CD1 C 13 22.674 0.00 . . . . . . A 22 LEU CD1 . 36459 1 182 . 1 . 1 22 22 LEU CD2 C 13 20.497 0.00 . . . . . . A 22 LEU CD2 . 36459 1 183 . 1 . 1 22 22 LEU CG C 13 24.311 0.00 . 1 . . . . A 22 LEU CG . 36459 1 184 . 1 . 1 22 22 LEU H H 1 7.607 0.00 . 1 . . . . A 22 LEU H . 36459 1 185 . 1 . 1 22 22 LEU HA H 1 4.202 0.00 . 1 . . . . A 22 LEU HA . 36459 1 186 . 1 . 1 22 22 LEU HB2 H 1 1.589 0.00 . . . . . . A 22 LEU HB2 . 36459 1 187 . 1 . 1 22 22 LEU HB3 H 1 1.514 0.00 . . . . . . A 22 LEU HB3 . 36459 1 188 . 1 . 1 22 22 LEU HD11 H 1 0.820 0.00 . . . . . . A 22 LEU HD11 . 36459 1 189 . 1 . 1 22 22 LEU HD12 H 1 0.820 0.00 . . . . . . A 22 LEU HD12 . 36459 1 190 . 1 . 1 22 22 LEU HD13 H 1 0.820 0.00 . . . . . . A 22 LEU HD13 . 36459 1 191 . 1 . 1 22 22 LEU HD21 H 1 0.756 0.00 . . . . . . A 22 LEU HD21 . 36459 1 192 . 1 . 1 22 22 LEU HD22 H 1 0.756 0.00 . . . . . . A 22 LEU HD22 . 36459 1 193 . 1 . 1 22 22 LEU HD23 H 1 0.756 0.00 . . . . . . A 22 LEU HD23 . 36459 1 194 . 1 . 1 22 22 LEU HG H 1 1.509 0.00 . 1 . . . . A 22 LEU HG . 36459 1 195 . 1 . 1 22 22 LEU N N 15 116.384 0.00 . 1 . . . . A 22 LEU N . 36459 1 196 . 1 . 1 23 23 CYS CA C 13 50.175 0.00 . 1 . . . . A 23 CYS CA . 36459 1 197 . 1 . 1 23 23 CYS CB C 13 38.511 0.00 . 1 . . . . A 23 CYS CB . 36459 1 198 . 1 . 1 23 23 CYS H H 1 7.732 0.00 . 1 . . . . A 23 CYS H . 36459 1 199 . 1 . 1 23 23 CYS HA H 1 4.814 0.00 . 1 . . . . A 23 CYS HA . 36459 1 200 . 1 . 1 23 23 CYS HB2 H 1 3.118 0.00 . . . . . . A 23 CYS HB2 . 36459 1 201 . 1 . 1 23 23 CYS HB3 H 1 2.699 0.00 . . . . . . A 23 CYS HB3 . 36459 1 202 . 1 . 1 23 23 CYS N N 15 118.752 0.00 . 1 . . . . A 23 CYS N . 36459 1 203 . 1 . 1 24 24 PRO CA C 13 58.839 0.00 . 1 . . . . A 24 PRO CA . 36459 1 204 . 1 . 1 24 24 PRO CB C 13 28.115 0.01 . 1 . . . . A 24 PRO CB . 36459 1 205 . 1 . 1 24 24 PRO CD C 13 47.906 0.00 . 1 . . . . A 24 PRO CD . 36459 1 206 . 1 . 1 24 24 PRO CG C 13 24.659 0.00 . 1 . . . . A 24 PRO CG . 36459 1 207 . 1 . 1 24 24 PRO HA H 1 4.587 0.00 . 1 . . . . A 24 PRO HA . 36459 1 208 . 1 . 1 24 24 PRO HB2 H 1 2.249 0.00 . . . . . . A 24 PRO HB2 . 36459 1 209 . 1 . 1 24 24 PRO HB3 H 1 1.820 0.00 . . . . . . A 24 PRO HB3 . 36459 1 210 . 1 . 1 24 24 PRO HD2 H 1 3.794 0.00 . . . . . . A 24 PRO HD2 . 36459 1 211 . 1 . 1 24 24 PRO HD3 H 1 3.534 0.00 . . . . . . A 24 PRO HD3 . 36459 1 212 . 1 . 1 24 24 PRO HG3 H 1 1.930 0.00 . . . . . . A 24 PRO HG3 . 36459 1 213 . 1 . 1 25 25 PRO CA C 13 60.386 0.00 . 1 . . . . A 25 PRO CA . 36459 1 214 . 1 . 1 25 25 PRO CB C 13 29.067 0.00 . 1 . . . . A 25 PRO CB . 36459 1 215 . 1 . 1 25 25 PRO CD C 13 47.588 0.00 . 1 . . . . A 25 PRO CD . 36459 1 216 . 1 . 1 25 25 PRO CG C 13 24.749 0.00 . 1 . . . . A 25 PRO CG . 36459 1 217 . 1 . 1 25 25 PRO HA H 1 4.277 0.01 . 1 . . . . A 25 PRO HA . 36459 1 218 . 1 . 1 25 25 PRO HB2 H 1 2.139 0.01 . . . . . . A 25 PRO HB2 . 36459 1 219 . 1 . 1 25 25 PRO HB3 H 1 1.814 0.00 . . . . . . A 25 PRO HB3 . 36459 1 220 . 1 . 1 25 25 PRO HD2 H 1 3.680 0.00 . . . . . . A 25 PRO HD2 . 36459 1 221 . 1 . 1 25 25 PRO HD3 H 1 3.529 0.00 . . . . . . A 25 PRO HD3 . 36459 1 222 . 1 . 1 25 25 PRO HG2 H 1 1.934 0.01 . . . . . . A 25 PRO HG2 . 36459 1 223 . 1 . 1 26 26 CYS CA C 13 53.117 0.00 . 1 . . . . A 26 CYS CA . 36459 1 224 . 1 . 1 26 26 CYS CB C 13 39.471 0.01 . 1 . . . . A 26 CYS CB . 36459 1 225 . 1 . 1 26 26 CYS H H 1 8.054 0.00 . 1 . . . . A 26 CYS H . 36459 1 226 . 1 . 1 26 26 CYS HA H 1 4.506 0.00 . 1 . . . . A 26 CYS HA . 36459 1 227 . 1 . 1 26 26 CYS HB2 H 1 3.098 0.00 . . . . . . A 26 CYS HB2 . 36459 1 228 . 1 . 1 26 26 CYS HB3 H 1 3.060 0.01 . . . . . . A 26 CYS HB3 . 36459 1 229 . 1 . 1 26 26 CYS N N 15 119.246 0.00 . 1 . . . . A 26 CYS N . 36459 1 stop_ save_