################################### # 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 31168 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 NOESY' . . . 31168 1 2 '2D 1H-1H TOCSY' . . . 31168 1 3 '2D 1H-13C HSQC' . . . 31168 1 4 '2D 1H-15N HSQC' . . . 31168 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 7.719 0.000 . . . . . . A 1 GLY H1 . 31168 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.672 0.000 . . . . . . A 1 GLY HA2 . 31168 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.058 0.000 . . . . . . A 1 GLY HA3 . 31168 1 4 . 1 . 1 1 1 GLY CA C 13 42.535 0.017 . . . . . . A 1 GLY CA . 31168 1 5 . 1 . 1 1 1 GLY N N 15 106.389 0.000 . . . . . . A 1 GLY N . 31168 1 6 . 1 . 1 2 2 PHE H H 1 8.058 0.000 . . . . . . A 2 PHE H . 31168 1 7 . 1 . 1 2 2 PHE HA H 1 4.688 0.000 . . . . . . A 2 PHE HA . 31168 1 8 . 1 . 1 2 2 PHE HB2 H 1 2.973 0.000 . 2 . . . . A 2 PHE HB2 . 31168 1 9 . 1 . 1 2 2 PHE HB3 H 1 2.973 0.000 . 2 . . . . A 2 PHE HB3 . 31168 1 10 . 1 . 1 2 2 PHE CA C 13 54.562 0.000 . . . . . . A 2 PHE CA . 31168 1 11 . 1 . 1 2 2 PHE CB C 13 37.978 0.000 . . . . . . A 2 PHE CB . 31168 1 12 . 1 . 1 2 2 PHE N N 15 118.506 0.000 . . . . . . A 2 PHE N . 31168 1 13 . 1 . 1 3 3 CYS H H 1 7.915 0.000 . . . . . . A 3 CYS H . 31168 1 14 . 1 . 1 3 3 CYS HA H 1 5.087 0.000 . . . . . . A 3 CYS HA . 31168 1 15 . 1 . 1 3 3 CYS HB2 H 1 2.891 0.000 . . . . . . A 3 CYS HB2 . 31168 1 16 . 1 . 1 3 3 CYS HB3 H 1 2.855 0.000 . . . . . . A 3 CYS HB3 . 31168 1 17 . 1 . 1 3 3 CYS CA C 13 52.828 0.000 . . . . . . A 3 CYS CA . 31168 1 18 . 1 . 1 3 3 CYS CB C 13 43.459 0.000 . . . . . . A 3 CYS CB . 31168 1 19 . 1 . 1 3 3 CYS N N 15 119.452 0.000 . . . . . . A 3 CYS N . 31168 1 20 . 1 . 1 4 4 TRP H H 1 8.409 0.000 . . . . . . A 4 TRP H . 31168 1 21 . 1 . 1 4 4 TRP HA H 1 4.637 0.000 . . . . . . A 4 TRP HA . 31168 1 22 . 1 . 1 4 4 TRP HB2 H 1 3.223 0.000 . . . . . . A 4 TRP HB2 . 31168 1 23 . 1 . 1 4 4 TRP HB3 H 1 3.056 0.000 . . . . . . A 4 TRP HB3 . 31168 1 24 . 1 . 1 4 4 TRP CA C 13 53.805 0.000 . . . . . . A 4 TRP CA . 31168 1 25 . 1 . 1 4 4 TRP CB C 13 27.643 0.000 . . . . . . A 4 TRP CB . 31168 1 26 . 1 . 1 4 4 TRP N N 15 123.800 0.000 . . . . . . A 4 TRP N . 31168 1 27 . 1 . 1 5 5 GLY H H 1 8.181 0.000 . . . . . . A 5 GLY H . 31168 1 28 . 1 . 1 5 5 GLY HA2 H 1 3.473 0.000 . . . . . . A 5 GLY HA2 . 31168 1 29 . 1 . 1 5 5 GLY HA3 H 1 3.761 0.000 . . . . . . A 5 GLY HA3 . 31168 1 30 . 1 . 1 5 5 GLY CA C 13 43.707 0.000 . . . . . . A 5 GLY CA . 31168 1 31 . 1 . 1 5 5 GLY N N 15 112.821 0.000 . . . . . . A 5 GLY N . 31168 1 32 . 1 . 1 6 6 ASP H H 1 8.138 0.000 . . . . . . A 6 ASP H . 31168 1 33 . 1 . 1 6 6 ASP HA H 1 4.510 0.000 . . . . . . A 6 ASP HA . 31168 1 34 . 1 . 1 6 6 ASP HB2 H 1 2.777 0.000 . . . . . . A 6 ASP HB2 . 31168 1 35 . 1 . 1 6 6 ASP HB3 H 1 2.728 0.000 . . . . . . A 6 ASP HB3 . 31168 1 36 . 1 . 1 6 6 ASP CA C 13 51.271 0.000 . . . . . . A 6 ASP CA . 31168 1 37 . 1 . 1 6 6 ASP CB C 13 36.733 0.005 . . . . . . A 6 ASP CB . 31168 1 38 . 1 . 1 6 6 ASP N N 15 119.350 0.000 . . . . . . A 6 ASP N . 31168 1 39 . 1 . 1 7 7 LEU H H 1 7.837 0.000 . . . . . . A 7 LEU H . 31168 1 40 . 1 . 1 7 7 LEU HA H 1 4.479 0.000 . . . . . . A 7 LEU HA . 31168 1 41 . 1 . 1 7 7 LEU HB2 H 1 1.792 0.000 . . . . . . A 7 LEU HB2 . 31168 1 42 . 1 . 1 7 7 LEU HB3 H 1 1.725 0.000 . . . . . . A 7 LEU HB3 . 31168 1 43 . 1 . 1 7 7 LEU HG H 1 1.617 0.000 . . . . . . A 7 LEU HG . 31168 1 44 . 1 . 1 7 7 LEU HD11 H 1 0.936 0.000 . . . . . . A 7 LEU HD11 . 31168 1 45 . 1 . 1 7 7 LEU HD12 H 1 0.936 0.000 . . . . . . A 7 LEU HD12 . 31168 1 46 . 1 . 1 7 7 LEU HD13 H 1 0.936 0.000 . . . . . . A 7 LEU HD13 . 31168 1 47 . 1 . 1 7 7 LEU HD21 H 1 0.888 0.000 . . . . . . A 7 LEU HD21 . 31168 1 48 . 1 . 1 7 7 LEU HD22 H 1 0.888 0.000 . . . . . . A 7 LEU HD22 . 31168 1 49 . 1 . 1 7 7 LEU HD23 H 1 0.888 0.000 . . . . . . A 7 LEU HD23 . 31168 1 50 . 1 . 1 7 7 LEU CA C 13 51.841 0.000 . . . . . . A 7 LEU CA . 31168 1 51 . 1 . 1 7 7 LEU CB C 13 39.986 0.012 . . . . . . A 7 LEU CB . 31168 1 52 . 1 . 1 7 7 LEU CG C 13 24.519 0.000 . . . . . . A 7 LEU CG . 31168 1 53 . 1 . 1 7 7 LEU CD1 C 13 22.175 0.000 . . . . . . A 7 LEU CD1 . 31168 1 54 . 1 . 1 7 7 LEU CD2 C 13 21.611 0.000 . . . . . . A 7 LEU CD2 . 31168 1 55 . 1 . 1 7 7 LEU N N 15 119.721 0.000 . . . . . . A 7 LEU N . 31168 1 56 . 1 . 1 8 8 CYS H H 1 7.996 0.000 . . . . . . A 8 CYS H . 31168 1 57 . 1 . 1 8 8 CYS HA H 1 5.128 0.000 . . . . . . A 8 CYS HA . 31168 1 58 . 1 . 1 8 8 CYS HB2 H 1 2.906 0.000 . . . . . . A 8 CYS HB2 . 31168 1 59 . 1 . 1 8 8 CYS HB3 H 1 2.840 0.000 . . . . . . A 8 CYS HB3 . 31168 1 60 . 1 . 1 8 8 CYS CA C 13 52.332 0.000 . . . . . . A 8 CYS CA . 31168 1 61 . 1 . 1 8 8 CYS CB C 13 42.247 0.000 . . . . . . A 8 CYS CB . 31168 1 62 . 1 . 1 8 8 CYS N N 15 120.028 0.000 . . . . . . A 8 CYS N . 31168 1 63 . 1 . 1 9 9 VAL H H 1 8.257 0.000 . . . . . . A 9 VAL H . 31168 1 64 . 1 . 1 9 9 VAL HA H 1 4.499 0.000 . . . . . . A 9 VAL HA . 31168 1 65 . 1 . 1 9 9 VAL HB H 1 2.097 0.000 . . . . . . A 9 VAL HB . 31168 1 66 . 1 . 1 9 9 VAL HG11 H 1 0.888 0.000 . . . . . . A 9 VAL HG11 . 31168 1 67 . 1 . 1 9 9 VAL HG12 H 1 0.888 0.000 . . . . . . A 9 VAL HG12 . 31168 1 68 . 1 . 1 9 9 VAL HG13 H 1 0.888 0.000 . . . . . . A 9 VAL HG13 . 31168 1 69 . 1 . 1 9 9 VAL HG21 H 1 0.878 0.000 . . . . . . A 9 VAL HG21 . 31168 1 70 . 1 . 1 9 9 VAL HG22 H 1 0.878 0.000 . . . . . . A 9 VAL HG22 . 31168 1 71 . 1 . 1 9 9 VAL HG23 H 1 0.878 0.000 . . . . . . A 9 VAL HG23 . 31168 1 72 . 1 . 1 9 9 VAL CA C 13 56.322 0.000 . . . . . . A 9 VAL CA . 31168 1 73 . 1 . 1 9 9 VAL CB C 13 30.321 0.000 . . . . . . A 9 VAL CB . 31168 1 74 . 1 . 1 9 9 VAL CG1 C 13 18.894 0.000 . . . . . . A 9 VAL CG1 . 31168 1 75 . 1 . 1 9 9 VAL CG2 C 13 17.558 0.000 . . . . . . A 9 VAL CG2 . 31168 1 76 . 1 . 1 9 9 VAL N N 15 119.644 0.000 . . . . . . A 9 VAL N . 31168 1 77 . 1 . 1 10 10 PRO HA H 1 4.405 0.000 . . . . . . A 10 PRO HA . 31168 1 78 . 1 . 1 10 10 PRO HB2 H 1 2.189 0.000 . . . . . . A 10 PRO HB2 . 31168 1 79 . 1 . 1 10 10 PRO HB3 H 1 1.816 0.000 . . . . . . A 10 PRO HB3 . 31168 1 80 . 1 . 1 10 10 PRO HG2 H 1 1.928 0.000 . 2 . . . . A 10 PRO HG2 . 31168 1 81 . 1 . 1 10 10 PRO HG3 H 1 1.928 0.000 . 2 . . . . A 10 PRO HG3 . 31168 1 82 . 1 . 1 10 10 PRO HD2 H 1 3.776 0.000 . . . . . . A 10 PRO HD2 . 31168 1 83 . 1 . 1 10 10 PRO HD3 H 1 3.603 0.000 . . . . . . A 10 PRO HD3 . 31168 1 84 . 1 . 1 10 10 PRO CA C 13 60.211 0.000 . . . . . . A 10 PRO CA . 31168 1 85 . 1 . 1 10 10 PRO CB C 13 29.348 0.004 . . . . . . A 10 PRO CB . 31168 1 86 . 1 . 1 10 10 PRO CG C 13 24.737 0.000 . . . . . . A 10 PRO CG . 31168 1 87 . 1 . 1 10 10 PRO CD C 13 48.072 0.000 . . . . . . A 10 PRO CD . 31168 1 88 . 1 . 1 11 11 TYR H H 1 8.007 0.000 . . . . . . A 11 TYR H . 31168 1 89 . 1 . 1 11 11 TYR HA H 1 4.289 0.000 . . . . . . A 11 TYR HA . 31168 1 90 . 1 . 1 11 11 TYR HB2 H 1 3.018 0.000 . . . . . . A 11 TYR HB2 . 31168 1 91 . 1 . 1 11 11 TYR HB3 H 1 2.906 0.000 . . . . . . A 11 TYR HB3 . 31168 1 92 . 1 . 1 11 11 TYR CA C 13 56.363 0.000 . . . . . . A 11 TYR CA . 31168 1 93 . 1 . 1 11 11 TYR CB C 13 35.932 0.000 . . . . . . A 11 TYR CB . 31168 1 94 . 1 . 1 11 11 TYR N N 15 119.682 0.000 . . . . . . A 11 TYR N . 31168 1 95 . 1 . 1 12 12 GLY H H 1 8.043 0.000 . . . . . . A 12 GLY H . 31168 1 96 . 1 . 1 12 12 GLY HA2 H 1 3.691 0.000 . . . . . . A 12 GLY HA2 . 31168 1 97 . 1 . 1 12 12 GLY HA3 H 1 3.931 0.000 . . . . . . A 12 GLY HA3 . 31168 1 98 . 1 . 1 12 12 GLY CA C 13 42.711 0.000 . . . . . . A 12 GLY CA . 31168 1 99 . 1 . 1 12 12 GLY N N 15 108.419 0.000 . . . . . . A 12 GLY N . 31168 1 100 . 1 . 1 13 13 THR H H 1 7.776 0.000 . . . . . . A 13 THR H . 31168 1 101 . 1 . 1 13 13 THR HA H 1 4.293 0.000 . . . . . . A 13 THR HA . 31168 1 102 . 1 . 1 13 13 THR HB H 1 4.181 0.000 . . . . . . A 13 THR HB . 31168 1 103 . 1 . 1 13 13 THR HG21 H 1 1.112 0.000 . . . . . . A 13 THR HG21 . 31168 1 104 . 1 . 1 13 13 THR HG22 H 1 1.112 0.000 . . . . . . A 13 THR HG22 . 31168 1 105 . 1 . 1 13 13 THR HG23 H 1 1.112 0.000 . . . . . . A 13 THR HG23 . 31168 1 106 . 1 . 1 13 13 THR CA C 13 60.073 0.000 . . . . . . A 13 THR CA . 31168 1 107 . 1 . 1 13 13 THR CB C 13 66.514 0.000 . . . . . . A 13 THR CB . 31168 1 108 . 1 . 1 13 13 THR CG2 C 13 18.905 0.000 . . . . . . A 13 THR CG2 . 31168 1 109 . 1 . 1 13 13 THR N N 15 112.808 0.000 . . . . . . A 13 THR N . 31168 1 110 . 1 . 1 14 14 CYS H H 1 8.153 0.000 . . . . . . A 14 CYS H . 31168 1 111 . 1 . 1 14 14 CYS HA H 1 4.319 0.000 . . . . . . A 14 CYS HA . 31168 1 112 . 1 . 1 14 14 CYS HB2 H 1 3.031 0.000 . . . . . . A 14 CYS HB2 . 31168 1 113 . 1 . 1 14 14 CYS HB3 H 1 2.887 0.000 . . . . . . A 14 CYS HB3 . 31168 1 114 . 1 . 1 14 14 CYS CA C 13 53.631 0.000 . . . . . . A 14 CYS CA . 31168 1 115 . 1 . 1 14 14 CYS CB C 13 35.087 0.000 . . . . . . A 14 CYS CB . 31168 1 116 . 1 . 1 14 14 CYS N N 15 118.520 0.000 . . . . . . A 14 CYS N . 31168 1 117 . 1 . 1 15 15 SER H H 1 7.823 0.000 . . . . . . A 15 SER H . 31168 1 118 . 1 . 1 15 15 SER HA H 1 3.995 0.000 . . . . . . A 15 SER HA . 31168 1 119 . 1 . 1 15 15 SER HB2 H 1 3.867 0.000 . . . . . . A 15 SER HB2 . 31168 1 120 . 1 . 1 15 15 SER HB3 H 1 3.790 0.000 . . . . . . A 15 SER HB3 . 31168 1 121 . 1 . 1 15 15 SER CA C 13 57.842 0.000 . . . . . . A 15 SER CA . 31168 1 122 . 1 . 1 15 15 SER CB C 13 60.181 0.012 . . . . . . A 15 SER CB . 31168 1 123 . 1 . 1 15 15 SER N N 15 112.478 0.000 . . . . . . A 15 SER N . 31168 1 124 . 1 . 1 16 16 GLN H H 1 7.635 0.000 . . . . . . A 16 GLN H . 31168 1 125 . 1 . 1 16 16 GLN HA H 1 4.233 0.000 . . . . . . A 16 GLN HA . 31168 1 126 . 1 . 1 16 16 GLN HB2 H 1 2.195 0.000 . . . . . . A 16 GLN HB2 . 31168 1 127 . 1 . 1 16 16 GLN HB3 H 1 1.968 0.000 . . . . . . A 16 GLN HB3 . 31168 1 128 . 1 . 1 16 16 GLN HG2 H 1 2.277 0.000 . 2 . . . . A 16 GLN HG2 . 31168 1 129 . 1 . 1 16 16 GLN HG3 H 1 2.277 0.000 . 2 . . . . A 16 GLN HG3 . 31168 1 130 . 1 . 1 16 16 GLN CA C 13 52.895 0.000 . . . . . . A 16 GLN CA . 31168 1 131 . 1 . 1 16 16 GLN CB C 13 26.481 0.000 . . . . . . A 16 GLN CB . 31168 1 132 . 1 . 1 16 16 GLN CG C 13 31.439 0.000 . . . . . . A 16 GLN CG . 31168 1 133 . 1 . 1 16 16 GLN N N 15 117.598 0.000 . . . . . . A 16 GLN N . 31168 1 134 . 1 . 1 17 17 LEU H H 1 7.172 0.000 . . . . . . A 17 LEU H . 31168 1 135 . 1 . 1 17 17 LEU HA H 1 4.411 0.000 . . . . . . A 17 LEU HA . 31168 1 136 . 1 . 1 17 17 LEU HB2 H 1 1.642 0.000 . . . . . . A 17 LEU HB2 . 31168 1 137 . 1 . 1 17 17 LEU HB3 H 1 1.200 0.000 . . . . . . A 17 LEU HB3 . 31168 1 138 . 1 . 1 17 17 LEU HG H 1 1.701 0.000 . . . . . . A 17 LEU HG . 31168 1 139 . 1 . 1 17 17 LEU HD11 H 1 0.845 0.000 . . . . . . A 17 LEU HD11 . 31168 1 140 . 1 . 1 17 17 LEU HD12 H 1 0.845 0.000 . . . . . . A 17 LEU HD12 . 31168 1 141 . 1 . 1 17 17 LEU HD13 H 1 0.845 0.000 . . . . . . A 17 LEU HD13 . 31168 1 142 . 1 . 1 17 17 LEU HD21 H 1 0.809 0.000 . . . . . . A 17 LEU HD21 . 31168 1 143 . 1 . 1 17 17 LEU HD22 H 1 0.809 0.000 . . . . . . A 17 LEU HD22 . 31168 1 144 . 1 . 1 17 17 LEU HD23 H 1 0.809 0.000 . . . . . . A 17 LEU HD23 . 31168 1 145 . 1 . 1 17 17 LEU CA C 13 49.962 0.000 . . . . . . A 17 LEU CA . 31168 1 146 . 1 . 1 17 17 LEU CB C 13 38.660 0.018 . . . . . . A 17 LEU CB . 31168 1 147 . 1 . 1 17 17 LEU CG C 13 24.422 0.000 . . . . . . A 17 LEU CG . 31168 1 148 . 1 . 1 17 17 LEU CD1 C 13 24.241 0.000 . . . . . . A 17 LEU CD1 . 31168 1 149 . 1 . 1 17 17 LEU CD2 C 13 19.909 0.000 . . . . . . A 17 LEU CD2 . 31168 1 150 . 1 . 1 17 17 LEU N N 15 118.506 0.000 . . . . . . A 17 LEU N . 31168 1 151 . 1 . 1 18 18 PRO HA H 1 4.407 0.000 . . . . . . A 18 PRO HA . 31168 1 152 . 1 . 1 18 18 PRO HB2 H 1 1.706 0.000 . . . . . . A 18 PRO HB2 . 31168 1 153 . 1 . 1 18 18 PRO HB3 H 1 0.419 0.000 . . . . . . A 18 PRO HB3 . 31168 1 154 . 1 . 1 18 18 PRO HG2 H 1 1.848 0.000 . . . . . . A 18 PRO HG2 . 31168 1 155 . 1 . 1 18 18 PRO HG3 H 1 1.444 0.000 . . . . . . A 18 PRO HG3 . 31168 1 156 . 1 . 1 18 18 PRO HD2 H 1 3.667 0.000 . . . . . . A 18 PRO HD2 . 31168 1 157 . 1 . 1 18 18 PRO HD3 H 1 3.196 0.000 . . . . . . A 18 PRO HD3 . 31168 1 158 . 1 . 1 18 18 PRO CA C 13 58.441 0.000 . . . . . . A 18 PRO CA . 31168 1 159 . 1 . 1 18 18 PRO CB C 13 27.480 0.012 . . . . . . A 18 PRO CB . 31168 1 160 . 1 . 1 18 18 PRO CG C 13 24.982 0.000 . . . . . . A 18 PRO CG . 31168 1 161 . 1 . 1 18 18 PRO CD C 13 47.185 0.000 . . . . . . A 18 PRO CD . 31168 1 162 . 1 . 1 19 19 PRO HA H 1 3.997 0.000 . . . . . . A 19 PRO HA . 31168 1 163 . 1 . 1 19 19 PRO HB2 H 1 2.389 0.000 . . . . . . A 19 PRO HB2 . 31168 1 164 . 1 . 1 19 19 PRO HB3 H 1 2.052 0.000 . . . . . . A 19 PRO HB3 . 31168 1 165 . 1 . 1 19 19 PRO HG2 H 1 2.184 0.000 . . . . . . A 19 PRO HG2 . 31168 1 166 . 1 . 1 19 19 PRO HG3 H 1 2.053 0.000 . . . . . . A 19 PRO HG3 . 31168 1 167 . 1 . 1 19 19 PRO HD2 H 1 3.738 0.000 . . . . . . A 19 PRO HD2 . 31168 1 168 . 1 . 1 19 19 PRO HD3 H 1 3.429 0.000 . . . . . . A 19 PRO HD3 . 31168 1 169 . 1 . 1 19 19 PRO CA C 13 63.257 0.000 . . . . . . A 19 PRO CA . 31168 1 170 . 1 . 1 19 19 PRO CB C 13 29.453 0.000 . . . . . . A 19 PRO CB . 31168 1 171 . 1 . 1 19 19 PRO CG C 13 24.958 0.000 . . . . . . A 19 PRO CG . 31168 1 172 . 1 . 1 19 19 PRO CD C 13 47.674 0.000 . . . . . . A 19 PRO CD . 31168 1 173 . 1 . 1 20 20 TRP H H 1 6.978 0.000 . . . . . . A 20 TRP H . 31168 1 174 . 1 . 1 20 20 TRP HA H 1 4.586 0.000 . . . . . . A 20 TRP HA . 31168 1 175 . 1 . 1 20 20 TRP HB2 H 1 3.527 0.000 . . . . . . A 20 TRP HB2 . 31168 1 176 . 1 . 1 20 20 TRP HB3 H 1 3.279 0.000 . . . . . . A 20 TRP HB3 . 31168 1 177 . 1 . 1 20 20 TRP CA C 13 55.799 0.000 . . . . . . A 20 TRP CA . 31168 1 178 . 1 . 1 20 20 TRP CB C 13 24.444 0.000 . . . . . . A 20 TRP CB . 31168 1 179 . 1 . 1 20 20 TRP N N 15 111.710 0.000 . . . . . . A 20 TRP N . 31168 1 180 . 1 . 1 21 21 LEU H H 1 7.243 0.000 . . . . . . A 21 LEU H . 31168 1 181 . 1 . 1 21 21 LEU HA H 1 4.516 0.000 . . . . . . A 21 LEU HA . 31168 1 182 . 1 . 1 21 21 LEU HB2 H 1 1.463 0.000 . . . . . . A 21 LEU HB2 . 31168 1 183 . 1 . 1 21 21 LEU HB3 H 1 1.128 0.000 . . . . . . A 21 LEU HB3 . 31168 1 184 . 1 . 1 21 21 LEU HG H 1 0.914 0.000 . . . . . . A 21 LEU HG . 31168 1 185 . 1 . 1 21 21 LEU HD11 H 1 0.720 0.000 . . . . . . A 21 LEU HD11 . 31168 1 186 . 1 . 1 21 21 LEU HD12 H 1 0.720 0.000 . . . . . . A 21 LEU HD12 . 31168 1 187 . 1 . 1 21 21 LEU HD13 H 1 0.720 0.000 . . . . . . A 21 LEU HD13 . 31168 1 188 . 1 . 1 21 21 LEU HD21 H 1 0.694 0.000 . . . . . . A 21 LEU HD21 . 31168 1 189 . 1 . 1 21 21 LEU HD22 H 1 0.694 0.000 . . . . . . A 21 LEU HD22 . 31168 1 190 . 1 . 1 21 21 LEU HD23 H 1 0.694 0.000 . . . . . . A 21 LEU HD23 . 31168 1 191 . 1 . 1 21 21 LEU CA C 13 51.803 0.000 . . . . . . A 21 LEU CA . 31168 1 192 . 1 . 1 21 21 LEU CB C 13 41.660 0.000 . . . . . . A 21 LEU CB . 31168 1 193 . 1 . 1 21 21 LEU CG C 13 23.885 0.000 . . . . . . A 21 LEU CG . 31168 1 194 . 1 . 1 21 21 LEU CD1 C 13 20.518 0.000 . . . . . . A 21 LEU CD1 . 31168 1 195 . 1 . 1 21 21 LEU CD2 C 13 22.590 0.000 . . . . . . A 21 LEU CD2 . 31168 1 196 . 1 . 1 21 21 LEU N N 15 118.698 0.000 . . . . . . A 21 LEU N . 31168 1 197 . 1 . 1 22 22 GLN H H 1 7.411 0.000 . . . . . . A 22 GLN H . 31168 1 198 . 1 . 1 22 22 GLN HA H 1 3.609 0.000 . . . . . . A 22 GLN HA . 31168 1 199 . 1 . 1 22 22 GLN HB2 H 1 1.976 0.000 . . . . . . A 22 GLN HB2 . 31168 1 200 . 1 . 1 22 22 GLN HB3 H 1 1.881 0.000 . . . . . . A 22 GLN HB3 . 31168 1 201 . 1 . 1 22 22 GLN HG2 H 1 2.425 0.000 . 2 . . . . A 22 GLN HG2 . 31168 1 202 . 1 . 1 22 22 GLN HG3 H 1 2.425 0.000 . 2 . . . . A 22 GLN HG3 . 31168 1 203 . 1 . 1 22 22 GLN CA C 13 57.625 0.000 . . . . . . A 22 GLN CA . 31168 1 204 . 1 . 1 22 22 GLN CB C 13 25.256 0.018 . . . . . . A 22 GLN CB . 31168 1 205 . 1 . 1 22 22 GLN CG C 13 31.768 0.000 . . . . . . A 22 GLN CG . 31168 1 206 . 1 . 1 22 22 GLN N N 15 118.890 0.000 . . . . . . A 22 GLN N . 31168 1 207 . 1 . 1 23 23 ASP H H 1 8.500 0.000 . . . . . . A 23 ASP H . 31168 1 208 . 1 . 1 23 23 ASP HB2 H 1 2.697 0.000 . . . . . . A 23 ASP HB2 . 31168 1 209 . 1 . 1 23 23 ASP HB3 H 1 2.659 0.000 . . . . . . A 23 ASP HB3 . 31168 1 210 . 1 . 1 23 23 ASP CB C 13 35.932 0.000 . . . . . . A 23 ASP CB . 31168 1 211 . 1 . 1 23 23 ASP N N 15 117.354 0.000 . . . . . . A 23 ASP N . 31168 1 212 . 1 . 1 24 24 MET H H 1 7.822 0.000 . . . . . . A 24 MET H . 31168 1 213 . 1 . 1 24 24 MET HA H 1 4.119 0.000 . . . . . . A 24 MET HA . 31168 1 214 . 1 . 1 24 24 MET HB2 H 1 1.980 0.000 . 2 . . . . A 24 MET HB2 . 31168 1 215 . 1 . 1 24 24 MET HB3 H 1 1.980 0.000 . 2 . . . . A 24 MET HB3 . 31168 1 216 . 1 . 1 24 24 MET HG2 H 1 2.589 0.000 . . . . . . A 24 MET HG2 . 31168 1 217 . 1 . 1 24 24 MET HG3 H 1 2.485 0.000 . . . . . . A 24 MET HG3 . 31168 1 218 . 1 . 1 24 24 MET HE1 H 1 2.085 0.000 . . . . . . A 24 MET HE1 . 31168 1 219 . 1 . 1 24 24 MET HE2 H 1 2.085 0.000 . . . . . . A 24 MET HE2 . 31168 1 220 . 1 . 1 24 24 MET HE3 H 1 2.085 0.000 . . . . . . A 24 MET HE3 . 31168 1 221 . 1 . 1 24 24 MET CA C 13 55.220 0.000 . . . . . . A 24 MET CA . 31168 1 222 . 1 . 1 24 24 MET CB C 13 29.906 0.000 . . . . . . A 24 MET CB . 31168 1 223 . 1 . 1 24 24 MET CG C 13 29.478 0.000 . . . . . . A 24 MET CG . 31168 1 224 . 1 . 1 24 24 MET CE C 13 14.466 0.000 . . . . . . A 24 MET CE . 31168 1 225 . 1 . 1 24 24 MET N N 15 119.119 0.000 . . . . . . A 24 MET N . 31168 1 226 . 1 . 1 25 25 CYS H H 1 7.668 0.000 . . . . . . A 25 CYS H . 31168 1 227 . 1 . 1 25 25 CYS HA H 1 3.887 0.000 . . . . . . A 25 CYS HA . 31168 1 228 . 1 . 1 25 25 CYS HB2 H 1 3.075 0.000 . . . . . . A 25 CYS HB2 . 31168 1 229 . 1 . 1 25 25 CYS HB3 H 1 2.638 0.000 . . . . . . A 25 CYS HB3 . 31168 1 230 . 1 . 1 25 25 CYS CA C 13 56.130 0.000 . . . . . . A 25 CYS CA . 31168 1 231 . 1 . 1 25 25 CYS CB C 13 35.525 0.000 . . . . . . A 25 CYS CB . 31168 1 232 . 1 . 1 25 25 CYS N N 15 118.041 0.000 . . . . . . A 25 CYS N . 31168 1 233 . 1 . 1 26 26 ALA H H 1 8.347 0.000 . . . . . . A 26 ALA H . 31168 1 234 . 1 . 1 26 26 ALA HA H 1 4.008 0.000 . . . . . . A 26 ALA HA . 31168 1 235 . 1 . 1 26 26 ALA HB1 H 1 1.425 0.000 . . . . . . A 26 ALA HB1 . 31168 1 236 . 1 . 1 26 26 ALA HB2 H 1 1.425 0.000 . . . . . . A 26 ALA HB2 . 31168 1 237 . 1 . 1 26 26 ALA HB3 H 1 1.425 0.000 . . . . . . A 26 ALA HB3 . 31168 1 238 . 1 . 1 26 26 ALA CA C 13 51.776 0.000 . . . . . . A 26 ALA CA . 31168 1 239 . 1 . 1 26 26 ALA CB C 13 15.718 0.000 . . . . . . A 26 ALA CB . 31168 1 240 . 1 . 1 26 26 ALA N N 15 123.773 0.000 . . . . . . A 26 ALA N . 31168 1 241 . 1 . 1 27 27 ALA HA H 1 4.199 0.000 . . . . . . A 27 ALA HA . 31168 1 242 . 1 . 1 27 27 ALA HB1 H 1 1.438 0.000 . . . . . . A 27 ALA HB1 . 31168 1 243 . 1 . 1 27 27 ALA HB2 H 1 1.438 0.000 . . . . . . A 27 ALA HB2 . 31168 1 244 . 1 . 1 27 27 ALA HB3 H 1 1.438 0.000 . . . . . . A 27 ALA HB3 . 31168 1 245 . 1 . 1 27 27 ALA CA C 13 50.764 0.000 . . . . . . A 27 ALA CA . 31168 1 246 . 1 . 1 27 27 ALA CB C 13 16.023 0.000 . . . . . . A 27 ALA CB . 31168 1 247 . 1 . 1 28 28 ALA H H 1 7.745 0.000 . . . . . . A 28 ALA H . 31168 1 248 . 1 . 1 28 28 ALA HA H 1 4.272 0.000 . . . . . . A 28 ALA HA . 31168 1 249 . 1 . 1 28 28 ALA HB1 H 1 1.454 0.000 . . . . . . A 28 ALA HB1 . 31168 1 250 . 1 . 1 28 28 ALA HB2 H 1 1.454 0.000 . . . . . . A 28 ALA HB2 . 31168 1 251 . 1 . 1 28 28 ALA HB3 H 1 1.454 0.000 . . . . . . A 28 ALA HB3 . 31168 1 252 . 1 . 1 28 28 ALA CA C 13 50.260 0.000 . . . . . . A 28 ALA CA . 31168 1 253 . 1 . 1 28 28 ALA CB C 13 16.470 0.000 . . . . . . A 28 ALA CB . 31168 1 254 . 1 . 1 28 28 ALA N N 15 119.313 0.000 . . . . . . A 28 ALA N . 31168 1 255 . 1 . 1 29 29 SER H H 1 7.821 0.000 . . . . . . A 29 SER H . 31168 1 256 . 1 . 1 29 29 SER HA H 1 4.312 0.000 . . . . . . A 29 SER HA . 31168 1 257 . 1 . 1 29 29 SER HB2 H 1 3.839 0.000 . 2 . . . . A 29 SER HB2 . 31168 1 258 . 1 . 1 29 29 SER HB3 H 1 3.839 0.000 . 2 . . . . A 29 SER HB3 . 31168 1 259 . 1 . 1 29 29 SER CA C 13 56.169 0.000 . . . . . . A 29 SER CA . 31168 1 260 . 1 . 1 29 29 SER CB C 13 60.960 0.000 . . . . . . A 29 SER CB . 31168 1 261 . 1 . 1 29 29 SER N N 15 112.314 0.000 . . . . . . A 29 SER N . 31168 1 262 . 1 . 1 30 30 PHE H H 1 7.930 0.000 . . . . . . A 30 PHE H . 31168 1 263 . 1 . 1 30 30 PHE HA H 1 4.391 0.000 . . . . . . A 30 PHE HA . 31168 1 264 . 1 . 1 30 30 PHE HB2 H 1 3.153 0.000 . . . . . . A 30 PHE HB2 . 31168 1 265 . 1 . 1 30 30 PHE HB3 H 1 3.037 0.000 . . . . . . A 30 PHE HB3 . 31168 1 266 . 1 . 1 30 30 PHE CA C 13 56.218 0.000 . . . . . . A 30 PHE CA . 31168 1 267 . 1 . 1 30 30 PHE CB C 13 36.391 0.000 . . . . . . A 30 PHE CB . 31168 1 268 . 1 . 1 30 30 PHE N N 15 119.836 0.000 . . . . . . A 30 PHE N . 31168 1 269 . 1 . 1 31 31 ASP H H 1 8.056 0.000 . . . . . . A 31 ASP H . 31168 1 270 . 1 . 1 31 31 ASP HA H 1 4.568 0.000 . . . . . . A 31 ASP HA . 31168 1 271 . 1 . 1 31 31 ASP HB2 H 1 2.795 0.000 . . . . . . A 31 ASP HB2 . 31168 1 272 . 1 . 1 31 31 ASP HB3 H 1 2.705 0.000 . . . . . . A 31 ASP HB3 . 31168 1 273 . 1 . 1 31 31 ASP CA C 13 51.072 0.000 . . . . . . A 31 ASP CA . 31168 1 274 . 1 . 1 31 31 ASP CB C 13 36.716 0.000 . . . . . . A 31 ASP CB . 31168 1 275 . 1 . 1 31 31 ASP N N 15 116.942 0.000 . . . . . . A 31 ASP N . 31168 1 stop_ save_