################################### # 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 36458 _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' 2 . anisotropic 36458 1 2 '2D 1H-15N HSQC' 2 . anisotropic 36458 1 3 '2D 1H-1H NOESY' 2 . anisotropic 36458 1 4 '2D 1H-1H TOCSY' 2 . anisotropic 36458 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 40.487 0.00 . 1 . . . . A 1 GLY CA . 36458 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.704 0.00 . . . . . . A 1 GLY HA3 . 36458 1 3 . 1 . 1 2 2 CYS CA C 13 51.970 0.00 . 1 . . . . A 2 CYS CA . 36458 1 4 . 1 . 1 2 2 CYS H H 1 8.464 0.00 . 1 . . . . A 2 CYS H . 36458 1 5 . 1 . 1 2 2 CYS HA H 1 4.822 0.00 . 1 . . . . A 2 CYS HA . 36458 1 6 . 1 . 1 2 2 CYS HB2 H 1 3.203 0.00 . . . . . . A 2 CYS HB2 . 36458 1 7 . 1 . 1 2 2 CYS HB3 H 1 2.825 0.00 . . . . . . A 2 CYS HB3 . 36458 1 8 . 1 . 1 2 2 CYS N N 15 118.860 0.00 . 1 . . . . A 2 CYS N . 36458 1 9 . 1 . 1 3 3 PRO CB C 13 27.718 0.00 . 1 . . . . A 3 PRO CB . 36458 1 10 . 1 . 1 3 3 PRO CD C 13 47.506 0.00 . 1 . . . . A 3 PRO CD . 36458 1 11 . 1 . 1 3 3 PRO CG C 13 24.426 0.00 . 1 . . . . A 3 PRO CG . 36458 1 12 . 1 . 1 3 3 PRO HA H 1 4.572 0.00 . 1 . . . . A 3 PRO HA . 36458 1 13 . 1 . 1 3 3 PRO HB2 H 1 2.083 0.00 . . . . . . A 3 PRO HB2 . 36458 1 14 . 1 . 1 3 3 PRO HB3 H 1 1.824 0.00 . . . . . . A 3 PRO HB3 . 36458 1 15 . 1 . 1 3 3 PRO HD2 H 1 3.629 0.00 . . . . . . A 3 PRO HD2 . 36458 1 16 . 1 . 1 3 3 PRO HD3 H 1 3.922 0.00 . . . . . . A 3 PRO HD3 . 36458 1 17 . 1 . 1 3 3 PRO HG2 H 1 1.826 0.00 . . . . . . A 3 PRO HG2 . 36458 1 18 . 1 . 1 4 4 PRO CA C 13 60.690 0.00 . 1 . . . . A 4 PRO CA . 36458 1 19 . 1 . 1 4 4 PRO CB C 13 28.958 0.00 . 1 . . . . A 4 PRO CB . 36458 1 20 . 1 . 1 4 4 PRO CD C 13 47.450 0.06 . 1 . . . . A 4 PRO CD . 36458 1 21 . 1 . 1 4 4 PRO HA H 1 4.299 0.00 . 1 . . . . A 4 PRO HA . 36458 1 22 . 1 . 1 4 4 PRO HB2 H 1 2.276 0.00 . . . . . . A 4 PRO HB2 . 36458 1 23 . 1 . 1 4 4 PRO HB3 H 1 1.857 0.00 . . . . . . A 4 PRO HB3 . 36458 1 24 . 1 . 1 4 4 PRO HD2 H 1 3.662 0.00 . . . . . . A 4 PRO HD2 . 36458 1 25 . 1 . 1 4 4 PRO HD3 H 1 3.470 0.00 . . . . . . A 4 PRO HD3 . 36458 1 26 . 1 . 1 4 4 PRO HG2 H 1 1.946 0.00 . . . . . . A 4 PRO HG2 . 36458 1 27 . 1 . 1 4 4 PRO HG3 H 1 1.851 0.00 . . . . . . A 4 PRO HG3 . 36458 1 28 . 1 . 1 5 5 CYS CA C 13 54.378 0.00 . 1 . . . . A 5 CYS CA . 36458 1 29 . 1 . 1 5 5 CYS CB C 13 37.661 0.00 . 1 . . . . A 5 CYS CB . 36458 1 30 . 1 . 1 5 5 CYS HA H 1 4.442 0.00 . 1 . . . . A 5 CYS HA . 36458 1 31 . 1 . 1 5 5 CYS HB2 H 1 3.065 0.00 . . . . . . A 5 CYS HB2 . 36458 1 32 . 1 . 1 5 5 CYS HB3 H 1 2.980 0.01 . . . . . . A 5 CYS HB3 . 36458 1 33 . 1 . 1 6 6 GLU CA C 13 54.432 0.00 . 1 . . . . A 6 GLU CA . 36458 1 34 . 1 . 1 6 6 GLU CB C 13 25.101 0.00 . 1 . . . . A 6 GLU CB . 36458 1 35 . 1 . 1 6 6 GLU CG C 13 30.382 0.00 . 1 . . . . A 6 GLU CG . 36458 1 36 . 1 . 1 6 6 GLU H H 1 8.530 0.01 . 1 . . . . A 6 GLU H . 36458 1 37 . 1 . 1 6 6 GLU HA H 1 4.233 0.00 . 1 . . . . A 6 GLU HA . 36458 1 38 . 1 . 1 6 6 GLU HB2 H 1 2.016 0.00 . . . . . . A 6 GLU HB2 . 36458 1 39 . 1 . 1 6 6 GLU HB3 H 1 1.857 0.00 . . . . . . A 6 GLU HB3 . 36458 1 40 . 1 . 1 6 6 GLU HG2 H 1 2.407 0.00 . . . . . . A 6 GLU HG2 . 36458 1 41 . 1 . 1 7 7 SER CA C 13 56.974 0.00 . 1 . . . . A 7 SER CA . 36458 1 42 . 1 . 1 7 7 SER CB C 13 61.180 0.01 . 1 . . . . A 7 SER CB . 36458 1 43 . 1 . 1 7 7 SER H H 1 7.954 0.00 . 1 . . . . A 7 SER H . 36458 1 44 . 1 . 1 7 7 SER HA H 1 4.314 0.00 . 1 . . . . A 7 SER HA . 36458 1 45 . 1 . 1 7 7 SER HB2 H 1 3.761 0.01 . . . . . . A 7 SER HB2 . 36458 1 46 . 1 . 1 7 7 SER HB3 H 1 3.788 0.00 . . . . . . A 7 SER HB3 . 36458 1 47 . 1 . 1 7 7 SER N N 15 115.051 0.00 . 1 . . . . A 7 SER N . 36458 1 48 . 1 . 1 8 8 CYS CA C 13 53.247 0.00 . 1 . . . . A 8 CYS CA . 36458 1 49 . 1 . 1 8 8 CYS CB C 13 38.446 0.02 . 1 . . . . A 8 CYS CB . 36458 1 50 . 1 . 1 8 8 CYS H H 1 7.871 0.00 . 1 . . . . A 8 CYS H . 36458 1 51 . 1 . 1 8 8 CYS HA H 1 4.673 0.00 . 1 . . . . A 8 CYS HA . 36458 1 52 . 1 . 1 8 8 CYS HB2 H 1 3.031 0.00 . . . . . . A 8 CYS HB2 . 36458 1 53 . 1 . 1 8 8 CYS HB3 H 1 2.824 0.00 . . . . . . A 8 CYS HB3 . 36458 1 54 . 1 . 1 8 8 CYS N N 15 119.291 0.00 . 1 . . . . A 8 CYS N . 36458 1 55 . 1 . 1 9 9 HIS CA C 13 52.513 0.00 . 1 . . . . A 9 HIS CA . 36458 1 56 . 1 . 1 9 9 HIS CB C 13 26.645 0.00 . 1 . . . . A 9 HIS CB . 36458 1 57 . 1 . 1 9 9 HIS H H 1 8.015 0.00 . 1 . . . . A 9 HIS H . 36458 1 58 . 1 . 1 9 9 HIS HA H 1 4.726 0.00 . 1 . . . . A 9 HIS HA . 36458 1 59 . 1 . 1 9 9 HIS HB2 H 1 3.277 0.00 . . . . . . A 9 HIS HB2 . 36458 1 60 . 1 . 1 9 9 HIS HB3 H 1 3.089 0.00 . . . . . . A 9 HIS HB3 . 36458 1 61 . 1 . 1 9 9 HIS HD2 H 1 7.261 0.00 . 1 . . . . A 9 HIS HD2 . 36458 1 62 . 1 . 1 9 9 HIS HE1 H 1 8.492 0.00 . 1 . . . . A 9 HIS HE1 . 36458 1 63 . 1 . 1 9 9 HIS N N 15 118.286 0.00 . 1 . . . . A 9 HIS N . 36458 1 64 . 1 . 1 10 10 SER CA C 13 56.164 0.00 . 1 . . . . A 10 SER CA . 36458 1 65 . 1 . 1 10 10 SER CB C 13 61.418 0.00 . 1 . . . . A 10 SER CB . 36458 1 66 . 1 . 1 10 10 SER H H 1 8.098 0.00 . 1 . . . . A 10 SER H . 36458 1 67 . 1 . 1 10 10 SER HA H 1 4.367 0.00 . 1 . . . . A 10 SER HA . 36458 1 68 . 1 . 1 10 10 SER HB2 H 1 3.841 0.00 . . . . . . A 10 SER HB2 . 36458 1 69 . 1 . 1 11 11 GLY CA C 13 42.969 0.01 . 1 . . . . A 11 GLY CA . 36458 1 70 . 1 . 1 11 11 GLY H H 1 8.302 0.00 . 1 . . . . A 11 GLY H . 36458 1 71 . 1 . 1 11 11 GLY HA2 H 1 4.057 0.00 . . . . . . A 11 GLY HA2 . 36458 1 72 . 1 . 1 11 11 GLY HA3 H 1 3.724 0.00 . . . . . . A 11 GLY HA3 . 36458 1 73 . 1 . 1 12 12 GLU CA C 13 53.144 0.00 . 1 . . . . A 12 GLU CA . 36458 1 74 . 1 . 1 12 12 GLU CB C 13 26.393 0.02 . 1 . . . . A 12 GLU CB . 36458 1 75 . 1 . 1 12 12 GLU CG C 13 30.410 0.00 . 1 . . . . A 12 GLU CG . 36458 1 76 . 1 . 1 12 12 GLU H H 1 7.920 0.00 . 1 . . . . A 12 GLU H . 36458 1 77 . 1 . 1 12 12 GLU HA H 1 4.328 0.00 . 1 . . . . A 12 GLU HA . 36458 1 78 . 1 . 1 12 12 GLU HB2 H 1 2.088 0.00 . . . . . . A 12 GLU HB2 . 36458 1 79 . 1 . 1 12 12 GLU HB3 H 1 1.896 0.00 . . . . . . A 12 GLU HB3 . 36458 1 80 . 1 . 1 12 12 GLU HG2 H 1 2.358 0.00 . . . . . . A 12 GLU HG2 . 36458 1 81 . 1 . 1 12 12 GLU N N 15 118.734 0.00 . 1 . . . . A 12 GLU N . 36458 1 82 . 1 . 1 13 13 SER CA C 13 55.681 0.00 . 1 . . . . A 13 SER CA . 36458 1 83 . 1 . 1 13 13 SER CB C 13 61.226 0.00 . 1 . . . . A 13 SER CB . 36458 1 84 . 1 . 1 13 13 SER H H 1 7.982 0.00 . 1 . . . . A 13 SER H . 36458 1 85 . 1 . 1 13 13 SER HA H 1 4.450 0.00 . 1 . . . . A 13 SER HA . 36458 1 86 . 1 . 1 13 13 SER HB2 H 1 3.894 0.00 . . . . . . A 13 SER HB2 . 36458 1 87 . 1 . 1 13 13 SER HB3 H 1 3.830 0.00 . . . . . . A 13 SER HB3 . 36458 1 88 . 1 . 1 13 13 SER N N 15 115.153 0.00 . 1 . . . . A 13 SER N . 36458 1 89 . 1 . 1 14 14 THR CA C 13 59.520 0.00 . 1 . . . . A 14 THR CA . 36458 1 90 . 1 . 1 14 14 THR CB C 13 67.549 0.00 . 1 . . . . A 14 THR CB . 36458 1 91 . 1 . 1 14 14 THR CG2 C 13 19.163 0.00 . 1 . . . . A 14 THR CG2 . 36458 1 92 . 1 . 1 14 14 THR H H 1 7.615 0.00 . 1 . . . . A 14 THR H . 36458 1 93 . 1 . 1 14 14 THR HA H 1 4.236 0.00 . 1 . . . . A 14 THR HA . 36458 1 94 . 1 . 1 14 14 THR HB H 1 4.055 0.00 . 1 . . . . A 14 THR HB . 36458 1 95 . 1 . 1 14 14 THR HG21 H 1 1.088 0.00 . 1 . . . . A 14 THR HG21 . 36458 1 96 . 1 . 1 14 14 THR HG22 H 1 1.088 0.00 . 1 . . . . A 14 THR HG22 . 36458 1 97 . 1 . 1 14 14 THR HG23 H 1 1.088 0.00 . 1 . . . . A 14 THR HG23 . 36458 1 98 . 1 . 1 14 14 THR N N 15 128.209 0.00 . 1 . . . . A 14 THR N . 36458 1 99 . 1 . 1 15 15 PHE CA C 13 57.512 0.00 . 1 . . . . A 15 PHE CA . 36458 1 100 . 1 . 1 15 15 PHE CB C 13 36.573 0.00 . 1 . . . . A 15 PHE CB . 36458 1 101 . 1 . 1 15 15 PHE H H 1 7.967 0.00 . 1 . . . . A 15 PHE H . 36458 1 102 . 1 . 1 15 15 PHE HA H 1 4.210 0.00 . 1 . . . . A 15 PHE HA . 36458 1 103 . 1 . 1 15 15 PHE HB2 H 1 2.944 0.00 . . . . . . A 15 PHE HB2 . 36458 1 104 . 1 . 1 15 15 PHE HB3 H 1 2.744 0.00 . . . . . . A 15 PHE HB3 . 36458 1 105 . 1 . 1 15 15 PHE HD1 H 1 6.819 0.00 . . . . . . A 15 PHE HD1 . 36458 1 106 . 1 . 1 15 15 PHE HE1 H 1 6.993 0.00 . . . . . . A 15 PHE HE1 . 36458 1 107 . 1 . 1 15 15 PHE HZ H 1 7.059 0.00 . 1 . . . . A 15 PHE HZ . 36458 1 108 . 1 . 1 15 15 PHE N N 15 120.199 0.00 . 1 . . . . A 15 PHE N . 36458 1 109 . 1 . 1 16 16 TRP CA C 13 55.792 0.00 . 1 . . . . A 16 TRP CA . 36458 1 110 . 1 . 1 16 16 TRP CB C 13 26.633 0.01 . 1 . . . . A 16 TRP CB . 36458 1 111 . 1 . 1 16 16 TRP H H 1 7.430 0.00 . 1 . . . . A 16 TRP H . 36458 1 112 . 1 . 1 16 16 TRP HA H 1 4.485 0.00 . 1 . . . . A 16 TRP HA . 36458 1 113 . 1 . 1 16 16 TRP HB2 H 1 3.316 0.00 . . . . . . A 16 TRP HB2 . 36458 1 114 . 1 . 1 16 16 TRP HB3 H 1 3.093 0.00 . . . . . . A 16 TRP HB3 . 36458 1 115 . 1 . 1 16 16 TRP HD1 H 1 7.178 0.00 . 1 . . . . A 16 TRP HD1 . 36458 1 116 . 1 . 1 16 16 TRP HE1 H 1 9.920 0.00 . 1 . . . . A 16 TRP HE1 . 36458 1 117 . 1 . 1 16 16 TRP HE3 H 1 7.524 0.00 . 1 . . . . A 16 TRP HE3 . 36458 1 118 . 1 . 1 16 16 TRP HH2 H 1 7.136 0.00 . 1 . . . . A 16 TRP HH2 . 36458 1 119 . 1 . 1 16 16 TRP HZ2 H 1 7.422 0.01 . 1 . . . . A 16 TRP HZ2 . 36458 1 120 . 1 . 1 16 16 TRP HZ3 H 1 6.980 0.00 . 1 . . . . A 16 TRP HZ3 . 36458 1 121 . 1 . 1 16 16 TRP N N 15 113.255 0.00 . 1 . . . . A 16 TRP N . 36458 1 122 . 1 . 1 16 16 TRP NE1 N 15 128.482 0.00 . 1 . . . . A 16 TRP NE1 . 36458 1 123 . 1 . 1 17 17 CYS CA C 13 54.579 0.00 . 1 . . . . A 17 CYS CA . 36458 1 124 . 1 . 1 17 17 CYS CB C 13 38.888 0.00 . 1 . . . . A 17 CYS CB . 36458 1 125 . 1 . 1 17 17 CYS H H 1 7.792 0.00 . 1 . . . . A 17 CYS H . 36458 1 126 . 1 . 1 17 17 CYS HA H 1 4.376 0.00 . 1 . . . . A 17 CYS HA . 36458 1 127 . 1 . 1 17 17 CYS HB2 H 1 2.935 0.00 . . . . . . A 17 CYS HB2 . 36458 1 128 . 1 . 1 17 17 CYS N N 15 116.137 0.00 . 1 . . . . A 17 CYS N . 36458 1 129 . 1 . 1 18 18 TYR CA C 13 57.257 0.00 . 1 . . . . A 18 TYR CA . 36458 1 130 . 1 . 1 18 18 TYR CB C 13 35.713 0.03 . 1 . . . . A 18 TYR CB . 36458 1 131 . 1 . 1 18 18 TYR H H 1 7.640 0.00 . 1 . . . . A 18 TYR H . 36458 1 132 . 1 . 1 18 18 TYR HA H 1 4.150 0.00 . 1 . . . . A 18 TYR HA . 36458 1 133 . 1 . 1 18 18 TYR HB2 H 1 2.753 0.00 . . . . . . A 18 TYR HB2 . 36458 1 134 . 1 . 1 18 18 TYR HB3 H 1 2.669 0.00 . . . . . . A 18 TYR HB3 . 36458 1 135 . 1 . 1 18 18 TYR HD2 H 1 6.645 0.00 . . . . . . A 18 TYR HD2 . 36458 1 136 . 1 . 1 18 18 TYR HE2 H 1 6.480 0.00 . . . . . . A 18 TYR HE2 . 36458 1 137 . 1 . 1 18 18 TYR N N 15 119.387 0.00 . 1 . . . . A 18 TYR N . 36458 1 138 . 1 . 1 19 19 TRP CA C 13 54.926 0.00 . 1 . . . . A 19 TRP CA . 36458 1 139 . 1 . 1 19 19 TRP CB C 13 26.565 0.03 . 1 . . . . A 19 TRP CB . 36458 1 140 . 1 . 1 19 19 TRP H H 1 7.561 0.00 . 1 . . . . A 19 TRP H . 36458 1 141 . 1 . 1 19 19 TRP HA H 1 4.479 0.00 . 1 . . . . A 19 TRP HA . 36458 1 142 . 1 . 1 19 19 TRP HB2 H 1 3.345 0.00 . . . . . . A 19 TRP HB2 . 36458 1 143 . 1 . 1 19 19 TRP HB3 H 1 3.013 0.00 . . . . . . A 19 TRP HB3 . 36458 1 144 . 1 . 1 19 19 TRP HD1 H 1 7.021 0.00 . 1 . . . . A 19 TRP HD1 . 36458 1 145 . 1 . 1 19 19 TRP HE1 H 1 9.596 0.01 . 1 . . . . A 19 TRP HE1 . 36458 1 146 . 1 . 1 19 19 TRP HE3 H 1 7.487 0.00 . 1 . . . . A 19 TRP HE3 . 36458 1 147 . 1 . 1 19 19 TRP HH2 H 1 7.125 0.00 . 1 . . . . A 19 TRP HH2 . 36458 1 148 . 1 . 1 19 19 TRP HZ2 H 1 7.379 0.00 . 1 . . . . A 19 TRP HZ2 . 36458 1 149 . 1 . 1 19 19 TRP HZ3 H 1 7.005 0.00 . 1 . . . . A 19 TRP HZ3 . 36458 1 150 . 1 . 1 19 19 TRP NE1 N 15 127.849 0.00 . 1 . . . . A 19 TRP NE1 . 36458 1 151 . 1 . 1 20 20 GLU CA C 13 54.223 0.00 . 1 . . . . A 20 GLU CA . 36458 1 152 . 1 . 1 20 20 GLU CB C 13 25.817 0.00 . 1 . . . . A 20 GLU CB . 36458 1 153 . 1 . 1 20 20 GLU CG C 13 30.247 0.00 . 1 . . . . A 20 GLU CG . 36458 1 154 . 1 . 1 20 20 GLU H H 1 7.592 0.00 . 1 . . . . A 20 GLU H . 36458 1 155 . 1 . 1 20 20 GLU HA H 1 4.137 0.00 . 1 . . . . A 20 GLU HA . 36458 1 156 . 1 . 1 20 20 GLU HB2 H 1 2.037 0.00 . . . . . . A 20 GLU HB2 . 36458 1 157 . 1 . 1 20 20 GLU HB3 H 1 1.945 0.01 . . . . . . A 20 GLU HB3 . 36458 1 158 . 1 . 1 20 20 GLU HG2 H 1 2.349 0.00 . . . . . . A 20 GLU HG2 . 36458 1 159 . 1 . 1 20 20 GLU N N 15 118.579 0.00 . 1 . . . . A 20 GLU N . 36458 1 160 . 1 . 1 21 21 ALA CA C 13 51.307 0.00 . 1 . . . . A 21 ALA CA . 36458 1 161 . 1 . 1 21 21 ALA CB C 13 16.086 0.00 . 1 . . . . A 21 ALA CB . 36458 1 162 . 1 . 1 21 21 ALA H H 1 7.798 0.00 . 1 . . . . A 21 ALA H . 36458 1 163 . 1 . 1 21 21 ALA HA H 1 4.026 0.00 . 1 . . . . A 21 ALA HA . 36458 1 164 . 1 . 1 21 21 ALA HB1 H 1 1.323 0.00 . 1 . . . . A 21 ALA HB1 . 36458 1 165 . 1 . 1 21 21 ALA HB2 H 1 1.323 0.00 . 1 . . . . A 21 ALA HB2 . 36458 1 166 . 1 . 1 21 21 ALA HB3 H 1 1.323 0.00 . 1 . . . . A 21 ALA HB3 . 36458 1 167 . 1 . 1 21 21 ALA N N 15 121.033 0.00 . 1 . . . . A 21 ALA N . 36458 1 168 . 1 . 1 22 22 LEU CA C 13 52.220 0.00 . 1 . . . . A 22 LEU CA . 36458 1 169 . 1 . 1 22 22 LEU CB C 13 39.412 0.01 . 1 . . . . A 22 LEU CB . 36458 1 170 . 1 . 1 22 22 LEU CD1 C 13 22.650 0.00 . . . . . . A 22 LEU CD1 . 36458 1 171 . 1 . 1 22 22 LEU CD2 C 13 22.717 0.00 . . . . . . A 22 LEU CD2 . 36458 1 172 . 1 . 1 22 22 LEU CG C 13 24.555 0.00 . 1 . . . . A 22 LEU CG . 36458 1 173 . 1 . 1 22 22 LEU H H 1 7.559 0.00 . 1 . . . . A 22 LEU H . 36458 1 174 . 1 . 1 22 22 LEU HA H 1 4.258 0.00 . 1 . . . . A 22 LEU HA . 36458 1 175 . 1 . 1 22 22 LEU HB2 H 1 1.741 0.00 . . . . . . A 22 LEU HB2 . 36458 1 176 . 1 . 1 22 22 LEU HB3 H 1 1.658 0.00 . . . . . . A 22 LEU HB3 . 36458 1 177 . 1 . 1 22 22 LEU HD11 H 1 0.887 0.00 . . . . . . A 22 LEU HD11 . 36458 1 178 . 1 . 1 22 22 LEU HD12 H 1 0.887 0.00 . . . . . . A 22 LEU HD12 . 36458 1 179 . 1 . 1 22 22 LEU HD13 H 1 0.887 0.00 . . . . . . A 22 LEU HD13 . 36458 1 180 . 1 . 1 22 22 LEU HD21 H 1 0.821 0.00 . . . . . . A 22 LEU HD21 . 36458 1 181 . 1 . 1 22 22 LEU HD22 H 1 0.821 0.00 . . . . . . A 22 LEU HD22 . 36458 1 182 . 1 . 1 22 22 LEU HD23 H 1 0.821 0.00 . . . . . . A 22 LEU HD23 . 36458 1 183 . 1 . 1 22 22 LEU HG H 1 1.635 0.01 . 1 . . . . A 22 LEU HG . 36458 1 184 . 1 . 1 22 22 LEU N N 15 114.272 0.00 . 1 . . . . A 22 LEU N . 36458 1 185 . 1 . 1 23 23 CYS CA C 13 51.100 0.00 . 1 . . . . A 23 CYS CA . 36458 1 186 . 1 . 1 23 23 CYS CB C 13 39.127 0.02 . 1 . . . . A 23 CYS CB . 36458 1 187 . 1 . 1 23 23 CYS H H 1 7.595 0.00 . 1 . . . . A 23 CYS H . 36458 1 188 . 1 . 1 23 23 CYS HA H 1 4.937 0.00 . 1 . . . . A 23 CYS HA . 36458 1 189 . 1 . 1 23 23 CYS HB2 H 1 3.274 0.00 . . . . . . A 23 CYS HB2 . 36458 1 190 . 1 . 1 23 23 CYS HB3 H 1 2.939 0.00 . . . . . . A 23 CYS HB3 . 36458 1 191 . 1 . 1 24 24 PRO CB C 13 28.056 0.01 . 1 . . . . A 24 PRO CB . 36458 1 192 . 1 . 1 24 24 PRO CD C 13 47.674 0.00 . 1 . . . . A 24 PRO CD . 36458 1 193 . 1 . 1 24 24 PRO CG C 13 24.904 0.06 . 1 . . . . A 24 PRO CG . 36458 1 194 . 1 . 1 24 24 PRO HA H 1 4.564 0.00 . 1 . . . . A 24 PRO HA . 36458 1 195 . 1 . 1 24 24 PRO HB2 H 1 2.265 0.00 . . . . . . A 24 PRO HB2 . 36458 1 196 . 1 . 1 24 24 PRO HB3 H 1 1.843 0.00 . . . . . . A 24 PRO HB3 . 36458 1 197 . 1 . 1 24 24 PRO HD2 H 1 3.821 0.00 . . . . . . A 24 PRO HD2 . 36458 1 198 . 1 . 1 24 24 PRO HD3 H 1 3.656 0.00 . . . . . . A 24 PRO HD3 . 36458 1 199 . 1 . 1 24 24 PRO HG2 H 1 2.050 0.00 . . . . . . A 24 PRO HG2 . 36458 1 200 . 1 . 1 24 24 PRO HG3 H 1 1.945 0.01 . . . . . . A 24 PRO HG3 . 36458 1 201 . 1 . 1 25 25 PRO CB C 13 29.210 0.01 . 1 . . . . A 25 PRO CB . 36458 1 202 . 1 . 1 25 25 PRO CD C 13 47.621 0.03 . 1 . . . . A 25 PRO CD . 36458 1 203 . 1 . 1 25 25 PRO CG C 13 24.735 0.00 . 1 . . . . A 25 PRO CG . 36458 1 204 . 1 . 1 25 25 PRO HA H 1 4.429 0.00 . 1 . . . . A 25 PRO HA . 36458 1 205 . 1 . 1 25 25 PRO HB2 H 1 2.162 0.00 . . . . . . A 25 PRO HB2 . 36458 1 206 . 1 . 1 25 25 PRO HB3 H 1 1.828 0.00 . . . . . . A 25 PRO HB3 . 36458 1 207 . 1 . 1 25 25 PRO HD2 H 1 3.698 0.00 . . . . . . A 25 PRO HD2 . 36458 1 208 . 1 . 1 25 25 PRO HD3 H 1 3.529 0.00 . . . . . . A 25 PRO HD3 . 36458 1 209 . 1 . 1 25 25 PRO HG2 H 1 1.927 0.01 . . . . . . A 25 PRO HG2 . 36458 1 210 . 1 . 1 25 25 PRO HG3 H 1 1.825 0.00 . . . . . . A 25 PRO HG3 . 36458 1 211 . 1 . 1 26 26 CYS CA C 13 52.116 0.00 . 1 . . . . A 26 CYS CA . 36458 1 212 . 1 . 1 26 26 CYS H H 1 8.115 0.00 . 1 . . . . A 26 CYS H . 36458 1 213 . 1 . 1 26 26 CYS HA H 1 4.550 0.00 . 1 . . . . A 26 CYS HA . 36458 1 214 . 1 . 1 26 26 CYS HB2 H 1 3.045 0.00 . . . . . . A 26 CYS HB2 . 36458 1 215 . 1 . 1 26 26 CYS HB3 H 1 2.879 0.00 . . . . . . A 26 CYS HB3 . 36458 1 216 . 1 . 1 26 26 CYS N N 15 117.670 0.00 . 1 . . . . A 26 CYS N . 36458 1 stop_ save_