################################### # 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 36419 _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-15N HSQC' 1 $sample_1 isotropic 36419 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36419 1 3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36419 1 4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36419 1 5 '2D 1H-1H COSY' 1 $sample_1 isotropic 36419 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 H H 1 7.833 0.00 . 1 . . . . A 1 GLY H1 . 36419 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.791 0.00 . 2 . . . . A 1 GLY HA2 . 36419 1 3 . 1 . 1 1 1 GLY CA C 13 42.851 0.00 . 1 . . . . A 1 GLY CA . 36419 1 4 . 1 . 1 2 2 CYS H H 1 8.007 0.00 . 1 . . . . A 2 CYS H . 36419 1 5 . 1 . 1 2 2 CYS HA H 1 4.478 0.00 . 1 . . . . A 2 CYS HA . 36419 1 6 . 1 . 1 2 2 CYS HB2 H 1 3.051 0.00 . 2 . . . . A 2 CYS HB2 . 36419 1 7 . 1 . 1 2 2 CYS HB3 H 1 2.884 0.00 . 2 . . . . A 2 CYS HB3 . 36419 1 8 . 1 . 1 2 2 CYS CA C 13 52.872 0.00 . 1 . . . . A 2 CYS CA . 36419 1 9 . 1 . 1 2 2 CYS CB C 13 38.032 0.00 . 1 . . . . A 2 CYS CB . 36419 1 10 . 1 . 1 2 2 CYS N N 15 116.655 0.00 . 1 . . . . A 2 CYS N . 36419 1 11 . 1 . 1 3 3 MET H H 1 8.142 0.00 . 1 . . . . A 3 MET H . 36419 1 12 . 1 . 1 3 3 MET HA H 1 4.324 0.00 . 1 . . . . A 3 MET HA . 36419 1 13 . 1 . 1 3 3 MET HB2 H 1 1.993 0.00 . 2 . . . . A 3 MET HB2 . 36419 1 14 . 1 . 1 3 3 MET HB3 H 1 1.956 0.01 . 2 . . . . A 3 MET HB3 . 36419 1 15 . 1 . 1 3 3 MET HG2 H 1 2.525 0.00 . 2 . . . . A 3 MET HG2 . 36419 1 16 . 1 . 1 3 3 MET HG3 H 1 2.435 0.00 . 2 . . . . A 3 MET HG3 . 36419 1 17 . 1 . 1 3 3 MET CA C 13 53.773 0.00 . 1 . . . . A 3 MET CA . 36419 1 18 . 1 . 1 3 3 MET CB C 13 30.394 0.02 . 1 . . . . A 3 MET CB . 36419 1 19 . 1 . 1 3 3 MET CG C 13 29.591 0.00 . 1 . . . . A 3 MET CG . 36419 1 20 . 1 . 1 3 3 MET N N 15 120.274 0.00 . 1 . . . . A 3 MET N . 36419 1 21 . 1 . 1 4 4 ILE H H 1 7.549 0.00 . 1 . . . . A 4 ILE H . 36419 1 22 . 1 . 1 4 4 ILE HA H 1 4.082 0.00 . 1 . . . . A 4 ILE HA . 36419 1 23 . 1 . 1 4 4 ILE HB H 1 1.792 0.00 . 1 . . . . A 4 ILE HB . 36419 1 24 . 1 . 1 4 4 ILE HG12 H 1 1.393 0.00 . 2 . . . . A 4 ILE HG12 . 36419 1 25 . 1 . 1 4 4 ILE HG13 H 1 1.093 0.01 . 2 . . . . A 4 ILE HG13 . 36419 1 26 . 1 . 1 4 4 ILE HG21 H 1 0.807 0.00 . 1 . . . . A 4 ILE HG21 . 36419 1 27 . 1 . 1 4 4 ILE HG22 H 1 0.807 0.00 . 1 . . . . A 4 ILE HG22 . 36419 1 28 . 1 . 1 4 4 ILE HG23 H 1 0.807 0.00 . 1 . . . . A 4 ILE HG23 . 36419 1 29 . 1 . 1 4 4 ILE HD11 H 1 0.793 0.00 . 1 . . . . A 4 ILE HD11 . 36419 1 30 . 1 . 1 4 4 ILE HD12 H 1 0.793 0.00 . 1 . . . . A 4 ILE HD12 . 36419 1 31 . 1 . 1 4 4 ILE HD13 H 1 0.793 0.00 . 1 . . . . A 4 ILE HD13 . 36419 1 32 . 1 . 1 4 4 ILE CA C 13 58.672 0.00 . 1 . . . . A 4 ILE CA . 36419 1 33 . 1 . 1 4 4 ILE CB C 13 36.199 0.00 . 1 . . . . A 4 ILE CB . 36419 1 34 . 1 . 1 4 4 ILE CG1 C 13 24.896 0.02 . 1 . . . . A 4 ILE CG1 . 36419 1 35 . 1 . 1 4 4 ILE CG2 C 13 14.838 0.00 . 1 . . . . A 4 ILE CG2 . 36419 1 36 . 1 . 1 4 4 ILE CD1 C 13 10.462 0.00 . 1 . . . . A 4 ILE CD1 . 36419 1 37 . 1 . 1 4 4 ILE N N 15 118.186 0.00 . 1 . . . . A 4 ILE N . 36419 1 38 . 1 . 1 5 5 LEU H H 1 7.724 0.00 . 1 . . . . A 5 LEU H . 36419 1 39 . 1 . 1 5 5 LEU HA H 1 4.335 0.00 . 1 . . . . A 5 LEU HA . 36419 1 40 . 1 . 1 5 5 LEU HB2 H 1 1.568 0.00 . 2 . . . . A 5 LEU HB2 . 36419 1 41 . 1 . 1 5 5 LEU HB3 H 1 1.484 0.00 . 2 . . . . A 5 LEU HB3 . 36419 1 42 . 1 . 1 5 5 LEU HD11 H 1 0.837 0.00 . 2 . . . . A 5 LEU HD11 . 36419 1 43 . 1 . 1 5 5 LEU HD12 H 1 0.837 0.00 . 2 . . . . A 5 LEU HD12 . 36419 1 44 . 1 . 1 5 5 LEU HD13 H 1 0.837 0.00 . 2 . . . . A 5 LEU HD13 . 36419 1 45 . 1 . 1 5 5 LEU HD21 H 1 0.779 0.00 . 2 . . . . A 5 LEU HD21 . 36419 1 46 . 1 . 1 5 5 LEU HD22 H 1 0.779 0.00 . 2 . . . . A 5 LEU HD22 . 36419 1 47 . 1 . 1 5 5 LEU HD23 H 1 0.779 0.00 . 2 . . . . A 5 LEU HD23 . 36419 1 48 . 1 . 1 5 5 LEU CA C 13 52.235 0.00 . 1 . . . . A 5 LEU CA . 36419 1 49 . 1 . 1 5 5 LEU CB C 13 39.738 0.00 . 1 . . . . A 5 LEU CB . 36419 1 50 . 1 . 1 5 5 LEU CG C 13 24.424 0.00 . 1 . . . . A 5 LEU CG . 36419 1 51 . 1 . 1 5 5 LEU CD1 C 13 22.435 0.00 . 2 . . . . A 5 LEU CD1 . 36419 1 52 . 1 . 1 5 5 LEU CD2 C 13 20.855 0.00 . 2 . . . . A 5 LEU CD2 . 36419 1 53 . 1 . 1 5 5 LEU N N 15 122.611 0.00 . 1 . . . . A 5 LEU N . 36419 1 54 . 1 . 1 6 6 LEU H H 1 7.853 0.00 . 1 . . . . A 6 LEU H . 36419 1 55 . 1 . 1 6 6 LEU HA H 1 4.205 0.00 . 1 . . . . A 6 LEU HA . 36419 1 56 . 1 . 1 6 6 LEU HB2 H 1 1.632 0.00 . 2 . . . . A 6 LEU HB2 . 36419 1 57 . 1 . 1 6 6 LEU HB3 H 1 1.516 0.00 . 2 . . . . A 6 LEU HB3 . 36419 1 58 . 1 . 1 6 6 LEU HD11 H 1 0.831 0.00 . 2 . . . . A 6 LEU HD11 . 36419 1 59 . 1 . 1 6 6 LEU HD12 H 1 0.831 0.00 . 2 . . . . A 6 LEU HD12 . 36419 1 60 . 1 . 1 6 6 LEU HD13 H 1 0.831 0.00 . 2 . . . . A 6 LEU HD13 . 36419 1 61 . 1 . 1 6 6 LEU HD21 H 1 0.793 0.00 . 2 . . . . A 6 LEU HD21 . 36419 1 62 . 1 . 1 6 6 LEU HD22 H 1 0.793 0.00 . 2 . . . . A 6 LEU HD22 . 36419 1 63 . 1 . 1 6 6 LEU HD23 H 1 0.793 0.00 . 2 . . . . A 6 LEU HD23 . 36419 1 64 . 1 . 1 6 6 LEU CA C 13 52.786 0.00 . 1 . . . . A 6 LEU CA . 36419 1 65 . 1 . 1 6 6 LEU CB C 13 39.615 0.02 . 1 . . . . A 6 LEU CB . 36419 1 66 . 1 . 1 6 6 LEU CD1 C 13 22.491 0.00 . 2 . . . . A 6 LEU CD1 . 36419 1 67 . 1 . 1 6 6 LEU CD2 C 13 20.770 0.00 . 2 . . . . A 6 LEU CD2 . 36419 1 68 . 1 . 1 6 6 LEU N N 15 120.121 0.00 . 1 . . . . A 6 LEU N . 36419 1 69 . 1 . 1 7 7 ASP H H 1 8.005 0.00 . 1 . . . . A 7 ASP H . 36419 1 70 . 1 . 1 7 7 ASP HA H 1 4.581 0.00 . 1 . . . . A 7 ASP HA . 36419 1 71 . 1 . 1 7 7 ASP HB2 H 1 2.894 0.00 . 2 . . . . A 7 ASP HB2 . 36419 1 72 . 1 . 1 7 7 ASP HB3 H 1 2.798 0.00 . 2 . . . . A 7 ASP HB3 . 36419 1 73 . 1 . 1 7 7 ASP CA C 13 50.825 0.00 . 1 . . . . A 7 ASP CA . 36419 1 74 . 1 . 1 7 7 ASP CB C 13 35.154 0.01 . 1 . . . . A 7 ASP CB . 36419 1 75 . 1 . 1 8 8 THR H H 1 7.665 0.00 . 1 . . . . A 8 THR H . 36419 1 76 . 1 . 1 8 8 THR HA H 1 4.227 0.00 . 1 . . . . A 8 THR HA . 36419 1 77 . 1 . 1 8 8 THR HB H 1 4.180 0.00 . 1 . . . . A 8 THR HB . 36419 1 78 . 1 . 1 8 8 THR HG21 H 1 1.113 0.00 . 1 . . . . A 8 THR HG21 . 36419 1 79 . 1 . 1 8 8 THR HG22 H 1 1.113 0.00 . 1 . . . . A 8 THR HG22 . 36419 1 80 . 1 . 1 8 8 THR HG23 H 1 1.113 0.00 . 1 . . . . A 8 THR HG23 . 36419 1 81 . 1 . 1 8 8 THR CA C 13 59.563 0.00 . 1 . . . . A 8 THR CA . 36419 1 82 . 1 . 1 8 8 THR CB C 13 66.959 0.00 . 1 . . . . A 8 THR CB . 36419 1 83 . 1 . 1 8 8 THR CG2 C 13 18.914 0.00 . 1 . . . . A 8 THR CG2 . 36419 1 84 . 1 . 1 8 8 THR N N 15 111.339 0.00 . 1 . . . . A 8 THR N . 36419 1 85 . 1 . 1 9 9 ASP H H 1 8.002 0.00 . 1 . . . . A 9 ASP H . 36419 1 86 . 1 . 1 9 9 ASP HA H 1 4.623 0.00 . 1 . . . . A 9 ASP HA . 36419 1 87 . 1 . 1 9 9 ASP HB2 H 1 2.811 0.01 . 2 . . . . A 9 ASP HB2 . 36419 1 88 . 1 . 1 9 9 ASP HB3 H 1 2.763 0.01 . 2 . . . . A 9 ASP HB3 . 36419 1 89 . 1 . 1 9 9 ASP CA C 13 50.664 0.00 . 1 . . . . A 9 ASP CA . 36419 1 90 . 1 . 1 9 9 ASP CB C 13 35.481 0.00 . 1 . . . . A 9 ASP CB . 36419 1 91 . 1 . 1 9 9 ASP N N 15 118.906 0.00 . 1 . . . . A 9 ASP N . 36419 1 92 . 1 . 1 10 10 ILE H H 1 7.516 0.00 . 1 . . . . A 10 ILE H . 36419 1 93 . 1 . 1 10 10 ILE HA H 1 3.989 0.00 . 1 . . . . A 10 ILE HA . 36419 1 94 . 1 . 1 10 10 ILE HB H 1 1.624 0.00 . 1 . . . . A 10 ILE HB . 36419 1 95 . 1 . 1 10 10 ILE HG12 H 1 1.101 0.00 . 2 . . . . A 10 ILE HG12 . 36419 1 96 . 1 . 1 10 10 ILE HG13 H 1 0.916 0.00 . 2 . . . . A 10 ILE HG13 . 36419 1 97 . 1 . 1 10 10 ILE HG21 H 1 0.592 0.00 . 1 . . . . A 10 ILE HG21 . 36419 1 98 . 1 . 1 10 10 ILE HG22 H 1 0.592 0.00 . 1 . . . . A 10 ILE HG22 . 36419 1 99 . 1 . 1 10 10 ILE HG23 H 1 0.592 0.00 . 1 . . . . A 10 ILE HG23 . 36419 1 100 . 1 . 1 10 10 ILE HD11 H 1 0.657 0.00 . 1 . . . . A 10 ILE HD11 . 36419 1 101 . 1 . 1 10 10 ILE HD12 H 1 0.657 0.00 . 1 . . . . A 10 ILE HD12 . 36419 1 102 . 1 . 1 10 10 ILE HD13 H 1 0.657 0.00 . 1 . . . . A 10 ILE HD13 . 36419 1 103 . 1 . 1 10 10 ILE CA C 13 59.045 0.00 . 1 . . . . A 10 ILE CA . 36419 1 104 . 1 . 1 10 10 ILE CB C 13 36.143 0.00 . 1 . . . . A 10 ILE CB . 36419 1 105 . 1 . 1 10 10 ILE CG1 C 13 24.280 0.00 . 1 . . . . A 10 ILE CG1 . 36419 1 106 . 1 . 1 10 10 ILE CG2 C 13 14.625 0.00 . 1 . . . . A 10 ILE CG2 . 36419 1 107 . 1 . 1 10 10 ILE CD1 C 13 10.575 0.00 . 1 . . . . A 10 ILE CD1 . 36419 1 108 . 1 . 1 10 10 ILE N N 15 117.640 0.00 . 1 . . . . A 10 ILE N . 36419 1 109 . 1 . 1 11 11 TRP H H 1 7.655 0.00 . 1 . . . . A 11 TRP H . 36419 1 110 . 1 . 1 11 11 TRP HA H 1 4.620 0.00 . 1 . . . . A 11 TRP HA . 36419 1 111 . 1 . 1 11 11 TRP HB2 H 1 3.253 0.00 . 2 . . . . A 11 TRP HB2 . 36419 1 112 . 1 . 1 11 11 TRP HB3 H 1 3.018 0.00 . 2 . . . . A 11 TRP HB3 . 36419 1 113 . 1 . 1 11 11 TRP HD1 H 1 7.121 0.00 . 1 . . . . A 11 TRP HD1 . 36419 1 114 . 1 . 1 11 11 TRP HE1 H 1 9.890 0.00 . 1 . . . . A 11 TRP HE1 . 36419 1 115 . 1 . 1 11 11 TRP HE3 H 1 7.535 0.00 . 1 . . . . A 11 TRP HE3 . 36419 1 116 . 1 . 1 11 11 TRP HZ2 H 1 7.356 0.00 . 1 . . . . A 11 TRP HZ2 . 36419 1 117 . 1 . 1 11 11 TRP HZ3 H 1 7.020 0.00 . 1 . . . . A 11 TRP HZ3 . 36419 1 118 . 1 . 1 11 11 TRP HH2 H 1 7.097 0.00 . 1 . . . . A 11 TRP HH2 . 36419 1 119 . 1 . 1 11 11 TRP CA C 13 54.060 0.00 . 1 . . . . A 11 TRP CA . 36419 1 120 . 1 . 1 11 11 TRP CB C 13 27.267 0.00 . 1 . . . . A 11 TRP CB . 36419 1 121 . 1 . 1 11 11 TRP N N 15 121.067 0.00 . 1 . . . . A 11 TRP N . 36419 1 122 . 1 . 1 12 12 CYS H H 1 7.843 0.00 . 1 . . . . A 12 CYS H . 36419 1 123 . 1 . 1 12 12 CYS HA H 1 4.790 0.00 . 1 . . . . A 12 CYS HA . 36419 1 124 . 1 . 1 12 12 CYS HB2 H 1 3.020 0.00 . 2 . . . . A 12 CYS HB2 . 36419 1 125 . 1 . 1 12 12 CYS HB3 H 1 2.952 0.00 . 2 . . . . A 12 CYS HB3 . 36419 1 126 . 1 . 1 12 12 CYS CA C 13 50.229 0.00 . 1 . . . . A 12 CYS CA . 36419 1 127 . 1 . 1 12 12 CYS CB C 13 39.221 0.02 . 1 . . . . A 12 CYS CB . 36419 1 128 . 1 . 1 12 12 CYS N N 15 112.267 0.00 . 1 . . . . A 12 CYS N . 36419 1 129 . 1 . 1 13 13 PRO HA H 1 4.260 0.00 . 1 . . . . A 13 PRO HA . 36419 1 130 . 1 . 1 13 13 PRO HB2 H 1 1.996 0.00 . 2 . . . . A 13 PRO HB2 . 36419 1 131 . 1 . 1 13 13 PRO HB3 H 1 1.911 0.00 . 2 . . . . A 13 PRO HB3 . 36419 1 132 . 1 . 1 13 13 PRO HG3 H 1 1.793 0.00 . 2 . . . . A 13 PRO HG3 . 36419 1 133 . 1 . 1 13 13 PRO HD2 H 1 3.581 0.00 . 2 . . . . A 13 PRO HD2 . 36419 1 134 . 1 . 1 13 13 PRO HD3 H 1 3.356 0.00 . 2 . . . . A 13 PRO HD3 . 36419 1 135 . 1 . 1 13 13 PRO CA C 13 61.042 0.00 . 1 . . . . A 13 PRO CA . 36419 1 136 . 1 . 1 13 13 PRO CB C 13 29.063 0.00 . 1 . . . . A 13 PRO CB . 36419 1 137 . 1 . 1 13 13 PRO CG C 13 24.196 0.00 . 1 . . . . A 13 PRO CG . 36419 1 138 . 1 . 1 13 13 PRO CD C 13 47.818 0.00 . 1 . . . . A 13 PRO CD . 36419 1 139 . 1 . 1 14 14 CYS H H 1 7.374 0.00 . 1 . . . . A 14 CYS H . 36419 1 140 . 1 . 1 14 14 CYS HA H 1 4.662 0.00 . 1 . . . . A 14 CYS HA . 36419 1 141 . 1 . 1 14 14 CYS HB2 H 1 3.187 0.00 . 2 . . . . A 14 CYS HB2 . 36419 1 142 . 1 . 1 14 14 CYS HB3 H 1 2.877 0.00 . 2 . . . . A 14 CYS HB3 . 36419 1 143 . 1 . 1 14 14 CYS CA C 13 52.039 0.00 . 1 . . . . A 14 CYS CA . 36419 1 144 . 1 . 1 14 14 CYS CB C 13 37.678 0.00 . 1 . . . . A 14 CYS CB . 36419 1 145 . 1 . 1 15 15 SER H H 1 8.208 0.00 . 1 . . . . A 15 SER H . 36419 1 146 . 1 . 1 15 15 SER HA H 1 4.094 0.00 . 1 . . . . A 15 SER HA . 36419 1 147 . 1 . 1 15 15 SER HB2 H 1 3.688 0.00 . 2 . . . . A 15 SER HB2 . 36419 1 148 . 1 . 1 15 15 SER HB3 H 1 3.664 0.01 . 2 . . . . A 15 SER HB3 . 36419 1 149 . 1 . 1 15 15 SER CA C 13 57.162 0.00 . 1 . . . . A 15 SER CA . 36419 1 150 . 1 . 1 15 15 SER CB C 13 60.639 0.02 . 1 . . . . A 15 SER CB . 36419 1 151 . 1 . 1 15 15 SER N N 15 117.691 0.00 . 1 . . . . A 15 SER N . 36419 1 152 . 1 . 1 16 16 HIS H H 1 7.335 0.00 . 1 . . . . A 16 HIS H . 36419 1 153 . 1 . 1 16 16 HIS HA H 1 4.913 0.00 . 1 . . . . A 16 HIS HA . 36419 1 154 . 1 . 1 16 16 HIS HB2 H 1 2.842 0.00 . 2 . . . . A 16 HIS HB2 . 36419 1 155 . 1 . 1 16 16 HIS HD2 H 1 7.271 0.03 . 1 . . . . A 16 HIS HD2 . 36419 1 156 . 1 . 1 16 16 HIS HE1 H 1 8.498 0.00 . 1 . . . . A 16 HIS HE1 . 36419 1 157 . 1 . 1 16 16 HIS CA C 13 49.680 0.00 . 1 . . . . A 16 HIS CA . 36419 1 158 . 1 . 1 16 16 HIS CB C 13 26.369 0.00 . 1 . . . . A 16 HIS CB . 36419 1 159 . 1 . 1 16 16 HIS N N 15 116.845 0.00 . 1 . . . . A 16 HIS N . 36419 1 160 . 1 . 1 17 17 PRO HA H 1 4.118 0.00 . 1 . . . . A 17 PRO HA . 36419 1 161 . 1 . 1 17 17 PRO HB2 H 1 2.125 0.00 . 2 . . . . A 17 PRO HB2 . 36419 1 162 . 1 . 1 17 17 PRO HB3 H 1 1.758 0.00 . 2 . . . . A 17 PRO HB3 . 36419 1 163 . 1 . 1 17 17 PRO HG2 H 1 1.956 0.00 . 2 . . . . A 17 PRO HG2 . 36419 1 164 . 1 . 1 17 17 PRO HG3 H 1 1.911 0.00 . 2 . . . . A 17 PRO HG3 . 36419 1 165 . 1 . 1 17 17 PRO HD2 H 1 3.714 0.00 . 2 . . . . A 17 PRO HD2 . 36419 1 166 . 1 . 1 17 17 PRO HD3 H 1 3.606 0.00 . 2 . . . . A 17 PRO HD3 . 36419 1 167 . 1 . 1 17 17 PRO CA C 13 62.195 0.00 . 1 . . . . A 17 PRO CA . 36419 1 168 . 1 . 1 17 17 PRO CB C 13 29.206 0.01 . 1 . . . . A 17 PRO CB . 36419 1 169 . 1 . 1 17 17 PRO CG C 13 24.791 0.00 . 1 . . . . A 17 PRO CG . 36419 1 170 . 1 . 1 17 17 PRO CD C 13 48.098 0.00 . 1 . . . . A 17 PRO CD . 36419 1 171 . 1 . 1 18 18 TYR H H 1 8.070 0.01 . 1 . . . . A 18 TYR H . 36419 1 172 . 1 . 1 18 18 TYR HA H 1 4.122 0.00 . 1 . . . . A 18 TYR HA . 36419 1 173 . 1 . 1 18 18 TYR HB2 H 1 3.100 0.01 . 2 . . . . A 18 TYR HB2 . 36419 1 174 . 1 . 1 18 18 TYR HB3 H 1 3.078 0.01 . 2 . . . . A 18 TYR HB3 . 36419 1 175 . 1 . 1 18 18 TYR HD2 H 1 7.003 0.00 . 3 . . . . A 18 TYR HD2 . 36419 1 176 . 1 . 1 18 18 TYR HE2 H 1 6.726 0.00 . 3 . . . . A 18 TYR HE2 . 36419 1 177 . 1 . 1 18 18 TYR CB C 13 33.851 0.01 . 1 . . . . A 18 TYR CB . 36419 1 178 . 1 . 1 18 18 TYR N N 15 118.016 0.00 . 1 . . . . A 18 TYR N . 36419 1 179 . 1 . 1 19 19 ALA H H 1 7.696 0.00 . 1 . . . . A 19 ALA H . 36419 1 180 . 1 . 1 19 19 ALA HA H 1 4.280 0.00 . 1 . . . . A 19 ALA HA . 36419 1 181 . 1 . 1 19 19 ALA HB1 H 1 1.313 0.00 . 1 . . . . A 19 ALA HB1 . 36419 1 182 . 1 . 1 19 19 ALA HB2 H 1 1.313 0.00 . 1 . . . . A 19 ALA HB2 . 36419 1 183 . 1 . 1 19 19 ALA HB3 H 1 1.313 0.00 . 1 . . . . A 19 ALA HB3 . 36419 1 184 . 1 . 1 19 19 ALA CA C 13 49.950 0.00 . 1 . . . . A 19 ALA CA . 36419 1 185 . 1 . 1 19 19 ALA CB C 13 16.997 0.00 . 1 . . . . A 19 ALA CB . 36419 1 186 . 1 . 1 19 19 ALA N N 15 121.275 0.00 . 1 . . . . A 19 ALA N . 36419 1 187 . 1 . 1 20 20 CYS H H 1 7.857 0.00 . 1 . . . . A 20 CYS H . 36419 1 188 . 1 . 1 20 20 CYS HA H 1 4.934 0.00 . 1 . . . . A 20 CYS HA . 36419 1 189 . 1 . 1 20 20 CYS HB2 H 1 3.213 0.00 . 2 . . . . A 20 CYS HB2 . 36419 1 190 . 1 . 1 20 20 CYS HB3 H 1 3.040 0.00 . 2 . . . . A 20 CYS HB3 . 36419 1 191 . 1 . 1 20 20 CYS CA C 13 50.250 0.00 . 1 . . . . A 20 CYS CA . 36419 1 192 . 1 . 1 20 20 CYS CB C 13 39.841 0.02 . 1 . . . . A 20 CYS CB . 36419 1 193 . 1 . 1 20 20 CYS N N 15 112.286 0.00 . 1 . . . . A 20 CYS N . 36419 1 194 . 1 . 1 21 21 PRO HA H 1 4.351 0.01 . 1 . . . . A 21 PRO HA . 36419 1 195 . 1 . 1 21 21 PRO HB2 H 1 2.186 0.00 . 2 . . . . A 21 PRO HB2 . 36419 1 196 . 1 . 1 21 21 PRO HG2 H 1 1.926 0.00 . 2 . . . . A 21 PRO HG2 . 36419 1 197 . 1 . 1 21 21 PRO HD2 H 1 3.599 0.00 . 2 . . . . A 21 PRO HD2 . 36419 1 198 . 1 . 1 21 21 PRO HD3 H 1 3.520 0.02 . 2 . . . . A 21 PRO HD3 . 36419 1 199 . 1 . 1 21 21 PRO CA C 13 60.878 0.00 . 1 . . . . A 21 PRO CA . 36419 1 200 . 1 . 1 21 21 PRO CB C 13 28.888 0.00 . 1 . . . . A 21 PRO CB . 36419 1 201 . 1 . 1 21 21 PRO CG C 13 24.753 0.00 . 1 . . . . A 21 PRO CG . 36419 1 202 . 1 . 1 21 21 PRO CD C 13 47.698 0.00 . 1 . . . . A 21 PRO CD . 36419 1 203 . 1 . 1 22 22 GLU H H 1 7.965 0.00 . 1 . . . . A 22 GLU H . 36419 1 204 . 1 . 1 22 22 GLU HA H 1 4.218 0.00 . 1 . . . . A 22 GLU HA . 36419 1 205 . 1 . 1 22 22 GLU HB2 H 1 2.071 0.00 . 2 . . . . A 22 GLU HB2 . 36419 1 206 . 1 . 1 22 22 GLU HB3 H 1 1.962 0.00 . 2 . . . . A 22 GLU HB3 . 36419 1 207 . 1 . 1 22 22 GLU HG2 H 1 2.358 0.00 . 2 . . . . A 22 GLU HG2 . 36419 1 208 . 1 . 1 22 22 GLU CA C 13 60.864 0.00 . 1 . . . . A 22 GLU CA . 36419 1 209 . 1 . 1 22 22 GLU CB C 13 25.828 0.01 . 1 . . . . A 22 GLU CB . 36419 1 210 . 1 . 1 22 22 GLU CG C 13 29.940 0.00 . 1 . . . . A 22 GLU CG . 36419 1 211 . 1 . 1 22 22 GLU N N 15 116.957 0.00 . 1 . . . . A 22 GLU N . 36419 1 212 . 1 . 1 23 23 ASN H H 1 7.925 0.00 . 1 . . . . A 23 ASN H . 36419 1 213 . 1 . 1 23 23 ASN HA H 1 4.598 0.00 . 1 . . . . A 23 ASN HA . 36419 1 214 . 1 . 1 23 23 ASN HB2 H 1 2.769 0.00 . 2 . . . . A 23 ASN HB2 . 36419 1 215 . 1 . 1 23 23 ASN HB3 H 1 2.718 0.02 . 2 . . . . A 23 ASN HB3 . 36419 1 216 . 1 . 1 23 23 ASN HD21 H 1 7.333 0.00 . 2 . . . . A 23 ASN HD21 . 36419 1 217 . 1 . 1 23 23 ASN HD22 H 1 6.543 0.00 . 2 . . . . A 23 ASN HD22 . 36419 1 218 . 1 . 1 23 23 ASN CA C 13 50.698 0.00 . 1 . . . . A 23 ASN CA . 36419 1 219 . 1 . 1 23 23 ASN CB C 13 36.422 0.02 . 1 . . . . A 23 ASN CB . 36419 1 220 . 1 . 1 23 23 ASN ND2 N 15 110.856 0.02 . 1 . . . . A 23 ASN ND2 . 36419 1 221 . 1 . 1 24 24 ILE H H 1 7.928 0.00 . 1 . . . . A 24 ILE H . 36419 1 222 . 1 . 1 24 24 ILE HA H 1 4.151 0.00 . 1 . . . . A 24 ILE HA . 36419 1 223 . 1 . 1 24 24 ILE HB H 1 1.841 0.00 . 1 . . . . A 24 ILE HB . 36419 1 224 . 1 . 1 24 24 ILE HG12 H 1 1.428 0.00 . 2 . . . . A 24 ILE HG12 . 36419 1 225 . 1 . 1 24 24 ILE HG13 H 1 1.164 0.00 . 2 . . . . A 24 ILE HG13 . 36419 1 226 . 1 . 1 24 24 ILE HG21 H 1 0.894 0.01 . 1 . . . . A 24 ILE HG21 . 36419 1 227 . 1 . 1 24 24 ILE HG22 H 1 0.894 0.01 . 1 . . . . A 24 ILE HG22 . 36419 1 228 . 1 . 1 24 24 ILE HG23 H 1 0.894 0.01 . 1 . . . . A 24 ILE HG23 . 36419 1 229 . 1 . 1 24 24 ILE HD11 H 1 0.826 0.00 . 1 . . . . A 24 ILE HD11 . 36419 1 230 . 1 . 1 24 24 ILE HD12 H 1 0.826 0.00 . 1 . . . . A 24 ILE HD12 . 36419 1 231 . 1 . 1 24 24 ILE HD13 H 1 0.826 0.00 . 1 . . . . A 24 ILE HD13 . 36419 1 232 . 1 . 1 24 24 ILE CA C 13 59.616 0.00 . 1 . . . . A 24 ILE CA . 36419 1 233 . 1 . 1 24 24 ILE CB C 13 35.999 0.00 . 1 . . . . A 24 ILE CB . 36419 1 234 . 1 . 1 24 24 ILE CG1 C 13 24.931 0.01 . 1 . . . . A 24 ILE CG1 . 36419 1 235 . 1 . 1 24 24 ILE CG2 C 13 15.139 0.00 . 1 . . . . A 24 ILE CG2 . 36419 1 236 . 1 . 1 24 24 ILE CD1 C 13 10.866 0.00 . 1 . . . . A 24 ILE CD1 . 36419 1 237 . 1 . 1 24 24 ILE N N 15 121.720 0.00 . 1 . . . . A 24 ILE N . 36419 1 238 . 1 . 1 25 25 CYS H H 1 8.425 0.00 . 1 . . . . A 25 CYS H . 36419 1 239 . 1 . 1 25 25 CYS HA H 1 4.611 0.00 . 1 . . . . A 25 CYS HA . 36419 1 240 . 1 . 1 25 25 CYS HB2 H 1 3.204 0.00 . 2 . . . . A 25 CYS HB2 . 36419 1 241 . 1 . 1 25 25 CYS HB3 H 1 2.857 0.00 . 2 . . . . A 25 CYS HB3 . 36419 1 242 . 1 . 1 25 25 CYS CA C 13 52.317 0.00 . 1 . . . . A 25 CYS CA . 36419 1 243 . 1 . 1 25 25 CYS CB C 13 39.803 0.00 . 1 . . . . A 25 CYS CB . 36419 1 244 . 1 . 1 25 25 CYS N N 15 118.436 0.00 . 1 . . . . A 25 CYS N . 36419 1 245 . 1 . 1 26 26 CYS H H 1 8.039 0.00 . 1 . . . . A 26 CYS H . 36419 1 246 . 1 . 1 26 26 CYS HA H 1 4.465 0.00 . 1 . . . . A 26 CYS HA . 36419 1 247 . 1 . 1 26 26 CYS HB2 H 1 3.216 0.00 . 2 . . . . A 26 CYS HB2 . 36419 1 248 . 1 . 1 26 26 CYS HB3 H 1 3.023 0.00 . 2 . . . . A 26 CYS HB3 . 36419 1 249 . 1 . 1 26 26 CYS CA C 13 53.064 0.00 . 1 . . . . A 26 CYS CA . 36419 1 250 . 1 . 1 26 26 CYS CB C 13 39.716 0.00 . 1 . . . . A 26 CYS CB . 36419 1 251 . 1 . 1 26 26 CYS N N 15 118.020 0.00 . 1 . . . . A 26 CYS N . 36419 1 stop_ save_