################################### # 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 34713 _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 TOCSY' . . . 34713 1 2 '2D 1H-1H NOESY' . . . 34713 1 3 '2D 1H-13C HSQC' . . . 34713 1 4 '2D 1H-15N HSQC' . . . 34713 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 LYS HA H 1 4.248 . . . . . . . A 11 LYS HA . 34713 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.887 . . . . . . . A 11 LYS HB2 . 34713 1 3 . 1 . 1 1 1 LYS HG2 H 1 1.528 . . . . . . . A 11 LYS HG2 . 34713 1 4 . 1 . 1 1 1 LYS HG3 H 1 1.576 . . . . . . . A 11 LYS HG3 . 34713 1 5 . 1 . 1 1 1 LYS HD2 H 1 1.776 . . . . . . . A 11 LYS HD2 . 34713 1 6 . 1 . 1 1 1 LYS HD3 H 1 8.311 . . . . . . . A 11 LYS HD3 . 34713 1 7 . 1 . 1 1 1 LYS HE2 H 1 3.022 . . . . . . . A 11 LYS HE2 . 34713 1 8 . 1 . 1 1 1 LYS CA C 13 57.315 . . . . . . . A 11 LYS CA . 34713 1 9 . 1 . 1 1 1 LYS CB C 13 31.616 . . . . . . . A 11 LYS CB . 34713 1 10 . 1 . 1 1 1 LYS CG C 13 23.799 . . . . . . . A 11 LYS CG . 34713 1 11 . 1 . 1 1 1 LYS CD C 13 28.342 . . . . . . . A 11 LYS CD . 34713 1 12 . 1 . 1 1 1 LYS CE C 13 40.869 . . . . . . . A 11 LYS CE . 34713 1 13 . 1 . 1 1 1 LYS N N 15 126.363 . . . . . . . A 11 LYS N . 34713 1 14 . 1 . 1 3 3 LYS H H 1 8.124 . . . . . . . A 13 LYS H . 34713 1 15 . 1 . 1 3 3 LYS HA H 1 4.211 . . . . . . . A 13 LYS HA . 34713 1 16 . 1 . 1 3 3 LYS HG2 H 1 1.605 . . . . . . . A 13 LYS HG2 . 34713 1 17 . 1 . 1 3 3 LYS HG3 H 1 1.474 . . . . . . . A 13 LYS HG3 . 34713 1 18 . 1 . 1 3 3 LYS CA C 13 58.006 . . . . . . . A 13 LYS CA . 34713 1 19 . 1 . 1 3 3 LYS CG C 13 24.431 . . . . . . . A 13 LYS CG . 34713 1 20 . 1 . 1 3 3 LYS N N 15 118.671 . . . . . . . A 13 LYS N . 34713 1 21 . 1 . 1 4 4 LEU H H 1 7.703 . . . . . . . A 14 LEU H . 34713 1 22 . 1 . 1 4 4 LEU HA H 1 4.324 . . . . . . . A 14 LEU HA . 34713 1 23 . 1 . 1 4 4 LEU HB2 H 1 1.793 . . . . . . . A 14 LEU HB2 . 34713 1 24 . 1 . 1 4 4 LEU HB3 H 1 1.748 . . . . . . . A 14 LEU HB3 . 34713 1 25 . 1 . 1 4 4 LEU HD11 H 1 0.957 . . . . . . . A 14 LEU HD11 . 34713 1 26 . 1 . 1 4 4 LEU HD12 H 1 0.957 . . . . . . . A 14 LEU HD12 . 34713 1 27 . 1 . 1 4 4 LEU HD13 H 1 0.957 . . . . . . . A 14 LEU HD13 . 34713 1 28 . 1 . 1 4 4 LEU HD21 H 1 1.018 . . . . . . . A 14 LEU HD21 . 34713 1 29 . 1 . 1 4 4 LEU HD22 H 1 1.018 . . . . . . . A 14 LEU HD22 . 34713 1 30 . 1 . 1 4 4 LEU HD23 H 1 1.018 . . . . . . . A 14 LEU HD23 . 34713 1 31 . 1 . 1 4 4 LEU CA C 13 57.059 . . . . . . . A 14 LEU CA . 34713 1 32 . 1 . 1 4 4 LEU CB C 13 41.3 . . . . . . . A 14 LEU CB . 34713 1 33 . 1 . 1 4 4 LEU CD1 C 13 22.857 . . . . . . . A 14 LEU CD1 . 34713 1 34 . 1 . 1 4 4 LEU CD2 C 13 22.592 . . . . . . . A 14 LEU CD2 . 34713 1 35 . 1 . 1 4 4 LEU N N 15 118.612 . . . . . . . A 14 LEU N . 34713 1 36 . 1 . 1 5 5 GLY H H 1 8.072 . . . . . . . A 15 GLY H . 34713 1 37 . 1 . 1 5 5 GLY HA2 H 1 3.828 . . . . . . . A 15 GLY HA2 . 34713 1 38 . 1 . 1 5 5 GLY HA3 H 1 3.851 . . . . . . . A 15 GLY HA3 . 34713 1 39 . 1 . 1 5 5 GLY CA C 13 46.506 . . . . . . . A 15 GLY CA . 34713 1 40 . 1 . 1 5 5 GLY N N 15 104.448 . . . . . . . A 15 GLY N . 34713 1 41 . 1 . 1 6 6 PHE H H 1 7.708 . . . . . . . A 16 PHE H . 34713 1 42 . 1 . 1 6 6 PHE HA H 1 4.325 . . . . . . . A 16 PHE HA . 34713 1 43 . 1 . 1 6 6 PHE HB3 H 1 3.132 . . . . . . . A 16 PHE HB3 . 34713 1 44 . 1 . 1 6 6 PHE HD1 H 1 7.042 . . . . . . . A 16 PHE HD1 . 34713 1 45 . 1 . 1 6 6 PHE HD2 H 1 7.042 . . . . . . . A 16 PHE HD2 . 34713 1 46 . 1 . 1 6 6 PHE CA C 13 60.16 . . . . . . . A 16 PHE CA . 34713 1 47 . 1 . 1 6 6 PHE CB C 13 38.175 . . . . . . . A 16 PHE CB . 34713 1 48 . 1 . 1 6 6 PHE CD1 C 13 130.525 . . . . . . . A 16 PHE CD1 . 34713 1 49 . 1 . 1 6 6 PHE N N 15 119.038 . . . . . . . A 16 PHE N . 34713 1 50 . 1 . 1 7 7 PHE H H 1 8.066 . . . . . . . A 17 PHE H . 34713 1 51 . 1 . 1 7 7 PHE HA H 1 4.214 . . . . . . . A 17 PHE HA . 34713 1 52 . 1 . 1 7 7 PHE HB3 H 1 3.285 . . . . . . . A 17 PHE HB3 . 34713 1 53 . 1 . 1 7 7 PHE HD1 H 1 7.303 . . . . . . . A 17 PHE HD1 . 34713 1 54 . 1 . 1 7 7 PHE HD2 H 1 7.303 . . . . . . . A 17 PHE HD2 . 34713 1 55 . 1 . 1 7 7 PHE CA C 13 60.659 . . . . . . . A 17 PHE CA . 34713 1 56 . 1 . 1 7 7 PHE CB C 13 37.997 . . . . . . . A 17 PHE CB . 34713 1 57 . 1 . 1 7 7 PHE CD1 C 13 130.78 . . . . . . . A 17 PHE CD1 . 34713 1 58 . 1 . 1 7 7 PHE N N 15 118.531 . . . . . . . A 17 PHE N . 34713 1 59 . 1 . 1 8 8 LEU H H 1 8.273 . . . . . . . A 18 LEU H . 34713 1 60 . 1 . 1 8 8 LEU HA H 1 4.146 . . . . . . . A 18 LEU HA . 34713 1 61 . 1 . 1 8 8 LEU HB2 H 1 1.908 . . . . . . . A 18 LEU HB2 . 34713 1 62 . 1 . 1 8 8 LEU HB3 H 1 1.7 . . . . . . . A 18 LEU HB3 . 34713 1 63 . 1 . 1 8 8 LEU HD11 H 1 0.955 . . . . . . . A 18 LEU HD11 . 34713 1 64 . 1 . 1 8 8 LEU HD12 H 1 0.955 . . . . . . . A 18 LEU HD12 . 34713 1 65 . 1 . 1 8 8 LEU HD13 H 1 0.955 . . . . . . . A 18 LEU HD13 . 34713 1 66 . 1 . 1 8 8 LEU CA C 13 57.817 . . . . . . . A 18 LEU CA . 34713 1 67 . 1 . 1 8 8 LEU CB C 13 41.215 . . . . . . . A 18 LEU CB . 34713 1 68 . 1 . 1 8 8 LEU CD1 C 13 22.56 . . . . . . . A 18 LEU CD1 . 34713 1 69 . 1 . 1 8 8 LEU N N 15 119.551 . . . . . . . A 18 LEU N . 34713 1 70 . 1 . 1 9 9 VAL H H 1 8.126 . . . . . . . A 19 VAL H . 34713 1 71 . 1 . 1 9 9 VAL HA H 1 3.82 . . . . . . . A 19 VAL HA . 34713 1 72 . 1 . 1 9 9 VAL HB H 1 2.136 . . . . . . . A 19 VAL HB . 34713 1 73 . 1 . 1 9 9 VAL HG11 H 1 1.099 . . . . . . . A 19 VAL HG11 . 34713 1 74 . 1 . 1 9 9 VAL HG12 H 1 1.099 . . . . . . . A 19 VAL HG12 . 34713 1 75 . 1 . 1 9 9 VAL HG13 H 1 1.099 . . . . . . . A 19 VAL HG13 . 34713 1 76 . 1 . 1 9 9 VAL HG21 H 1 0.978 . . . . . . . A 19 VAL HG21 . 34713 1 77 . 1 . 1 9 9 VAL HG22 H 1 0.978 . . . . . . . A 19 VAL HG22 . 34713 1 78 . 1 . 1 9 9 VAL HG23 H 1 0.978 . . . . . . . A 19 VAL HG23 . 34713 1 79 . 1 . 1 9 9 VAL CA C 13 65.681 . . . . . . . A 19 VAL CA . 34713 1 80 . 1 . 1 9 9 VAL CB C 13 31.022 . . . . . . . A 19 VAL CB . 34713 1 81 . 1 . 1 9 9 VAL CG1 C 13 20.959 . . . . . . . A 19 VAL CG1 . 34713 1 82 . 1 . 1 9 9 VAL CG2 C 13 19.959 . . . . . . . A 19 VAL CG2 . 34713 1 83 . 1 . 1 9 9 VAL N N 15 116.071 . . . . . . . A 19 VAL N . 34713 1 84 . 1 . 1 10 10 THR H H 1 7.595 . . . . . . . A 20 THR H . 34713 1 85 . 1 . 1 10 10 THR HA H 1 3.943 . . . . . . . A 20 THR HA . 34713 1 86 . 1 . 1 10 10 THR HB H 1 4.135 . . . . . . . A 20 THR HB . 34713 1 87 . 1 . 1 10 10 THR HG21 H 1 1.119 . . . . . . . A 20 THR HG21 . 34713 1 88 . 1 . 1 10 10 THR HG22 H 1 1.119 . . . . . . . A 20 THR HG22 . 34713 1 89 . 1 . 1 10 10 THR HG23 H 1 1.119 . . . . . . . A 20 THR HG23 . 34713 1 90 . 1 . 1 10 10 THR CA C 13 66.163 . . . . . . . A 20 THR CA . 34713 1 91 . 1 . 1 10 10 THR CB C 13 68.259 . . . . . . . A 20 THR CB . 34713 1 92 . 1 . 1 10 10 THR CG2 C 13 19.973 . . . . . . . A 20 THR CG2 . 34713 1 93 . 1 . 1 10 10 THR N N 15 114.579 . . . . . . . A 20 THR N . 34713 1 94 . 1 . 1 11 11 PHE H H 1 8.179 . . . . . . . A 21 PHE H . 34713 1 95 . 1 . 1 11 11 PHE HA H 1 4.273 . . . . . . . A 21 PHE HA . 34713 1 96 . 1 . 1 11 11 PHE HB2 H 1 3.101 . . . . . . . A 21 PHE HB2 . 34713 1 97 . 1 . 1 11 11 PHE HB3 H 1 3.023 . . . . . . . A 21 PHE HB3 . 34713 1 98 . 1 . 1 11 11 PHE HD1 H 1 7.185 . . . . . . . A 21 PHE HD1 . 34713 1 99 . 1 . 1 11 11 PHE HD2 H 1 7.185 . . . . . . . A 21 PHE HD2 . 34713 1 100 . 1 . 1 11 11 PHE HZ H 1 7.125 . . . . . . . A 21 PHE HZ . 34713 1 101 . 1 . 1 11 11 PHE CA C 13 60.674 . . . . . . . A 21 PHE CA . 34713 1 102 . 1 . 1 11 11 PHE CB C 13 38.124 . . . . . . . A 21 PHE CB . 34713 1 103 . 1 . 1 11 11 PHE CD2 C 13 130.793 . . . . . . . A 21 PHE CD2 . 34713 1 104 . 1 . 1 11 11 PHE CZ C 13 128.578 . . . . . . . A 21 PHE CZ . 34713 1 105 . 1 . 1 11 11 PHE N N 15 120.676 . . . . . . . A 21 PHE N . 34713 1 106 . 1 . 1 12 12 LEU H H 1 8.18 . . . . . . . A 22 LEU H . 34713 1 107 . 1 . 1 12 12 LEU HA H 1 4.203 . . . . . . . A 22 LEU HA . 34713 1 108 . 1 . 1 12 12 LEU HB2 H 1 1.787 . . . . . . . A 22 LEU HB2 . 34713 1 109 . 1 . 1 12 12 LEU HB3 H 1 1.904 . . . . . . . A 22 LEU HB3 . 34713 1 110 . 1 . 1 12 12 LEU HD11 H 1 0.952 . . . . . . . A 22 LEU HD11 . 34713 1 111 . 1 . 1 12 12 LEU HD12 H 1 0.952 . . . . . . . A 22 LEU HD12 . 34713 1 112 . 1 . 1 12 12 LEU HD13 H 1 0.952 . . . . . . . A 22 LEU HD13 . 34713 1 113 . 1 . 1 12 12 LEU HD21 H 1 1.003 . . . . . . . A 22 LEU HD21 . 34713 1 114 . 1 . 1 12 12 LEU HD22 H 1 1.003 . . . . . . . A 22 LEU HD22 . 34713 1 115 . 1 . 1 12 12 LEU HD23 H 1 1.003 . . . . . . . A 22 LEU HD23 . 34713 1 116 . 1 . 1 12 12 LEU CA C 13 57.643 . . . . . . . A 22 LEU CA . 34713 1 117 . 1 . 1 12 12 LEU CB C 13 41.174 . . . . . . . A 22 LEU CB . 34713 1 118 . 1 . 1 12 12 LEU CD1 C 13 22.042 . . . . . . . A 22 LEU CD1 . 34713 1 119 . 1 . 1 12 12 LEU CD2 C 13 23.114 . . . . . . . A 22 LEU CD2 . 34713 1 120 . 1 . 1 12 12 LEU N N 15 119.168 . . . . . . . A 22 LEU N . 34713 1 121 . 1 . 1 13 13 PHE H H 1 8.181 . . . . . . . A 23 PHE H . 34713 1 122 . 1 . 1 13 13 PHE HA H 1 4.305 . . . . . . . A 23 PHE HA . 34713 1 123 . 1 . 1 13 13 PHE HB2 H 1 3.308 . . . . . . . A 23 PHE HB2 . 34713 1 124 . 1 . 1 13 13 PHE HB3 H 1 3.308 . . . . . . . A 23 PHE HB3 . 34713 1 125 . 1 . 1 13 13 PHE HD1 H 1 7.238 . . . . . . . A 23 PHE HD1 . 34713 1 126 . 1 . 1 13 13 PHE HD2 H 1 7.238 . . . . . . . A 23 PHE HD2 . 34713 1 127 . 1 . 1 13 13 PHE CA C 13 60.989 . . . . . . . A 23 PHE CA . 34713 1 128 . 1 . 1 13 13 PHE CB C 13 38.396 . . . . . . . A 23 PHE CB . 34713 1 129 . 1 . 1 13 13 PHE CD2 C 13 130.71 . . . . . . . A 23 PHE CD2 . 34713 1 130 . 1 . 1 13 13 PHE N N 15 119.168 . . . . . . . A 23 PHE N . 34713 1 131 . 1 . 1 14 14 ILE H H 1 8.161 . . . . . . . A 24 ILE H . 34713 1 132 . 1 . 1 14 14 ILE HA H 1 3.605 . . . . . . . A 24 ILE HA . 34713 1 133 . 1 . 1 14 14 ILE HB H 1 1.992 . . . . . . . A 24 ILE HB . 34713 1 134 . 1 . 1 14 14 ILE HG12 H 1 1.904 . . . . . . . A 24 ILE HG12 . 34713 1 135 . 1 . 1 14 14 ILE HG13 H 1 1.254 . . . . . . . A 24 ILE HG13 . 34713 1 136 . 1 . 1 14 14 ILE HG21 H 1 0.978 . . . . . . . A 24 ILE HG21 . 34713 1 137 . 1 . 1 14 14 ILE HG22 H 1 0.978 . . . . . . . A 24 ILE HG22 . 34713 1 138 . 1 . 1 14 14 ILE HG23 H 1 0.978 . . . . . . . A 24 ILE HG23 . 34713 1 139 . 1 . 1 14 14 ILE HD11 H 1 0.901 . . . . . . . A 24 ILE HD11 . 34713 1 140 . 1 . 1 14 14 ILE HD12 H 1 0.901 . . . . . . . A 24 ILE HD12 . 34713 1 141 . 1 . 1 14 14 ILE HD13 H 1 0.901 . . . . . . . A 24 ILE HD13 . 34713 1 142 . 1 . 1 14 14 ILE CA C 13 64.651 . . . . . . . A 24 ILE CA . 34713 1 143 . 1 . 1 14 14 ILE CB C 13 37.149 . . . . . . . A 24 ILE CB . 34713 1 144 . 1 . 1 14 14 ILE CG1 C 13 28.11 . . . . . . . A 24 ILE CG1 . 34713 1 145 . 1 . 1 14 14 ILE CG2 C 13 19.959 . . . . . . . A 24 ILE CG2 . 34713 1 146 . 1 . 1 14 14 ILE CD1 C 13 11.519 . . . . . . . A 24 ILE CD1 . 34713 1 147 . 1 . 1 14 14 ILE N N 15 119.168 . . . . . . . A 24 ILE N . 34713 1 148 . 1 . 1 15 15 TRP H H 1 8.281 . . . . . . . A 25 TRP H . 34713 1 149 . 1 . 1 15 15 TRP HA H 1 4.307 . . . . . . . A 25 TRP HA . 34713 1 150 . 1 . 1 15 15 TRP HB2 H 1 3.408 . . . . . . . A 25 TRP HB2 . 34713 1 151 . 1 . 1 15 15 TRP HB3 H 1 3.13 . . . . . . . A 25 TRP HB3 . 34713 1 152 . 1 . 1 15 15 TRP HD1 H 1 7.001 . . . . . . . A 25 TRP HD1 . 34713 1 153 . 1 . 1 15 15 TRP HE1 H 1 8.982 . . . . . . . A 25 TRP HE1 . 34713 1 154 . 1 . 1 15 15 TRP HE3 H 1 7.594 . . . . . . . A 25 TRP HE3 . 34713 1 155 . 1 . 1 15 15 TRP HZ2 H 1 7.344 . . . . . . . A 25 TRP HZ2 . 34713 1 156 . 1 . 1 15 15 TRP HZ3 H 1 7.055 . . . . . . . A 25 TRP HZ3 . 34713 1 157 . 1 . 1 15 15 TRP HH2 H 1 7.131 . . . . . . . A 25 TRP HH2 . 34713 1 158 . 1 . 1 15 15 TRP CA C 13 60.149 . . . . . . . A 25 TRP CA . 34713 1 159 . 1 . 1 15 15 TRP CB C 13 28.136 . . . . . . . A 25 TRP CB . 34713 1 160 . 1 . 1 15 15 TRP CD1 C 13 125.167 . . . . . . . A 25 TRP CD1 . 34713 1 161 . 1 . 1 15 15 TRP CE3 C 13 120.25 . . . . . . . A 25 TRP CE3 . 34713 1 162 . 1 . 1 15 15 TRP CZ2 C 13 113.095 . . . . . . . A 25 TRP CZ2 . 34713 1 163 . 1 . 1 15 15 TRP CZ3 C 13 120.823 . . . . . . . A 25 TRP CZ3 . 34713 1 164 . 1 . 1 15 15 TRP CH2 C 13 123.438 . . . . . . . A 25 TRP CH2 . 34713 1 165 . 1 . 1 15 15 TRP N N 15 121.193 . . . . . . . A 25 TRP N . 34713 1 166 . 1 . 1 15 15 TRP NE1 N 15 124.313 . . . . . . . A 25 TRP NE1 . 34713 1 167 . 1 . 1 16 16 LEU H H 1 8.531 . . . . . . . A 26 LEU H . 34713 1 168 . 1 . 1 16 16 LEU HA H 1 3.935 . . . . . . . A 26 LEU HA . 34713 1 169 . 1 . 1 16 16 LEU HB2 H 1 1.61 . . . . . . . A 26 LEU HB2 . 34713 1 170 . 1 . 1 16 16 LEU HB3 H 1 1.881 . . . . . . . A 26 LEU HB3 . 34713 1 171 . 1 . 1 16 16 LEU HD11 H 1 0.934 . . . . . . . A 26 LEU HD11 . 34713 1 172 . 1 . 1 16 16 LEU HD12 H 1 0.934 . . . . . . . A 26 LEU HD12 . 34713 1 173 . 1 . 1 16 16 LEU HD13 H 1 0.934 . . . . . . . A 26 LEU HD13 . 34713 1 174 . 1 . 1 16 16 LEU HD21 H 1 0.911 . . . . . . . A 26 LEU HD21 . 34713 1 175 . 1 . 1 16 16 LEU HD22 H 1 0.911 . . . . . . . A 26 LEU HD22 . 34713 1 176 . 1 . 1 16 16 LEU HD23 H 1 0.911 . . . . . . . A 26 LEU HD23 . 34713 1 177 . 1 . 1 16 16 LEU CA C 13 57.545 . . . . . . . A 26 LEU CA . 34713 1 178 . 1 . 1 16 16 LEU CB C 13 40.923 . . . . . . . A 26 LEU CB . 34713 1 179 . 1 . 1 16 16 LEU CD1 C 13 23.258 . . . . . . . A 26 LEU CD1 . 34713 1 180 . 1 . 1 16 16 LEU CD2 C 13 22.4 . . . . . . . A 26 LEU CD2 . 34713 1 181 . 1 . 1 16 16 LEU N N 15 118.921 . . . . . . . A 26 LEU N . 34713 1 182 . 1 . 1 17 17 MET H H 1 8.237 . . . . . . . A 27 MET H . 34713 1 183 . 1 . 1 17 17 MET HA H 1 4.253 . . . . . . . A 27 MET HA . 34713 1 184 . 1 . 1 17 17 MET HB2 H 1 1.894 . . . . . . . A 27 MET HB2 . 34713 1 185 . 1 . 1 17 17 MET HB3 H 1 2.207 . . . . . . . A 27 MET HB3 . 34713 1 186 . 1 . 1 17 17 MET HG2 H 1 2.343 . . . . . . . A 27 MET HG2 . 34713 1 187 . 1 . 1 17 17 MET HG3 H 1 2.183 . . . . . . . A 27 MET HG3 . 34713 1 188 . 1 . 1 17 17 MET CA C 13 57.315 . . . . . . . A 27 MET CA . 34713 1 189 . 1 . 1 17 17 MET CB C 13 31.534 . . . . . . . A 27 MET CB . 34713 1 190 . 1 . 1 17 17 MET CG C 13 31.759 . . . . . . . A 27 MET CG . 34713 1 191 . 1 . 1 17 17 MET N N 15 118.011 . . . . . . . A 27 MET N . 34713 1 192 . 1 . 1 18 18 MET H H 1 8.53 . . . . . . . A 28 MET H . 34713 1 193 . 1 . 1 18 18 MET HA H 1 4.115 . . . . . . . A 28 MET HA . 34713 1 194 . 1 . 1 18 18 MET HB2 H 1 2.012 . . . . . . . A 28 MET HB2 . 34713 1 195 . 1 . 1 18 18 MET HB3 H 1 2.274 . . . . . . . A 28 MET HB3 . 34713 1 196 . 1 . 1 18 18 MET HG2 H 1 2.469 . . . . . . . A 28 MET HG2 . 34713 1 197 . 1 . 1 18 18 MET HG3 H 1 2.72 . . . . . . . A 28 MET HG3 . 34713 1 198 . 1 . 1 18 18 MET CA C 13 58.519 . . . . . . . A 28 MET CA . 34713 1 199 . 1 . 1 18 18 MET CB C 13 31.263 . . . . . . . A 28 MET CB . 34713 1 200 . 1 . 1 18 18 MET CG C 13 31.497 . . . . . . . A 28 MET CG . 34713 1 201 . 1 . 1 18 18 MET N N 15 120.885 . . . . . . . A 28 MET N . 34713 1 202 . 1 . 1 19 19 LEU H H 1 8.296 . . . . . . . A 29 LEU H . 34713 1 203 . 1 . 1 19 19 LEU HA H 1 4.062 . . . . . . . A 29 LEU HA . 34713 1 204 . 1 . 1 19 19 LEU HB2 H 1 1.608 . . . . . . . A 29 LEU HB2 . 34713 1 205 . 1 . 1 19 19 LEU HB3 H 1 1.531 . . . . . . . A 29 LEU HB3 . 34713 1 206 . 1 . 1 19 19 LEU HG H 1 1.466 . . . . . . . A 29 LEU HG . 34713 1 207 . 1 . 1 19 19 LEU HD11 H 1 0.728 . . . . . . . A 29 LEU HD11 . 34713 1 208 . 1 . 1 19 19 LEU HD12 H 1 0.728 . . . . . . . A 29 LEU HD12 . 34713 1 209 . 1 . 1 19 19 LEU HD13 H 1 0.728 . . . . . . . A 29 LEU HD13 . 34713 1 210 . 1 . 1 19 19 LEU CA C 13 57.549 . . . . . . . A 29 LEU CA . 34713 1 211 . 1 . 1 19 19 LEU CB C 13 40.881 . . . . . . . A 29 LEU CB . 34713 1 212 . 1 . 1 19 19 LEU CG C 13 26.014 . . . . . . . A 29 LEU CG . 34713 1 213 . 1 . 1 19 19 LEU CD1 C 13 22.702 . . . . . . . A 29 LEU CD1 . 34713 1 214 . 1 . 1 19 19 LEU N N 15 121.258 . . . . . . . A 29 LEU N . 34713 1 215 . 1 . 1 20 20 LEU H H 1 8.695 . . . . . . . A 30 LEU H . 34713 1 216 . 1 . 1 20 20 LEU HA H 1 4.069 . . . . . . . A 30 LEU HA . 34713 1 217 . 1 . 1 20 20 LEU HB2 H 1 1.815 . . . . . . . A 30 LEU HB2 . 34713 1 218 . 1 . 1 20 20 LEU HB3 H 1 1.815 . . . . . . . A 30 LEU HB3 . 34713 1 219 . 1 . 1 20 20 LEU HD11 H 1 0.873 . . . . . . . A 30 LEU HD11 . 34713 1 220 . 1 . 1 20 20 LEU HD12 H 1 0.873 . . . . . . . A 30 LEU HD12 . 34713 1 221 . 1 . 1 20 20 LEU HD13 H 1 0.873 . . . . . . . A 30 LEU HD13 . 34713 1 222 . 1 . 1 20 20 LEU HD21 H 1 0.896 . . . . . . . A 30 LEU HD21 . 34713 1 223 . 1 . 1 20 20 LEU HD22 H 1 0.896 . . . . . . . A 30 LEU HD22 . 34713 1 224 . 1 . 1 20 20 LEU HD23 H 1 0.896 . . . . . . . A 30 LEU HD23 . 34713 1 225 . 1 . 1 20 20 LEU CA C 13 58.09 . . . . . . . A 30 LEU CA . 34713 1 226 . 1 . 1 20 20 LEU CB C 13 40.887 . . . . . . . A 30 LEU CB . 34713 1 227 . 1 . 1 20 20 LEU CD1 C 13 22.958 . . . . . . . A 30 LEU CD1 . 34713 1 228 . 1 . 1 20 20 LEU CD2 C 13 22.537 . . . . . . . A 30 LEU CD2 . 34713 1 229 . 1 . 1 20 20 LEU N N 15 123.418 . . . . . . . A 30 LEU N . 34713 1 230 . 1 . 1 21 21 HIS H H 1 8.38 . . . . . . . A 31 HIS H . 34713 1 231 . 1 . 1 21 21 HIS HA H 1 4.187 . . . . . . . A 31 HIS HA . 34713 1 232 . 1 . 1 21 21 HIS HB2 H 1 3.238 . . . . . . . A 31 HIS HB2 . 34713 1 233 . 1 . 1 21 21 HIS HB3 H 1 3.238 . . . . . . . A 31 HIS HB3 . 34713 1 234 . 1 . 1 21 21 HIS HD2 H 1 6.78 . . . . . . . A 31 HIS HD2 . 34713 1 235 . 1 . 1 21 21 HIS HE1 H 1 7.568 . . . . . . . A 31 HIS HE1 . 34713 1 236 . 1 . 1 21 21 HIS CA C 13 60.387 . . . . . . . A 31 HIS CA . 34713 1 237 . 1 . 1 21 21 HIS CB C 13 29.005 . . . . . . . A 31 HIS CB . 34713 1 238 . 1 . 1 21 21 HIS CD2 C 13 120.668 . . . . . . . A 31 HIS CD2 . 34713 1 239 . 1 . 1 21 21 HIS CE1 C 13 136.906 . . . . . . . A 31 HIS CE1 . 34713 1 240 . 1 . 1 21 21 HIS N N 15 118.212 . . . . . . . A 31 HIS N . 34713 1 241 . 1 . 1 22 22 PHE H H 1 8.782 . . . . . . . A 32 PHE H . 34713 1 242 . 1 . 1 22 22 PHE HA H 1 4.236 . . . . . . . A 32 PHE HA . 34713 1 243 . 1 . 1 22 22 PHE HB3 H 1 3.303 . . . . . . . A 32 PHE HB3 . 34713 1 244 . 1 . 1 22 22 PHE HD1 H 1 7.236 . . . . . . . A 32 PHE HD1 . 34713 1 245 . 1 . 1 22 22 PHE HD2 H 1 7.236 . . . . . . . A 32 PHE HD2 . 34713 1 246 . 1 . 1 22 22 PHE CA C 13 60.725 . . . . . . . A 32 PHE CA . 34713 1 247 . 1 . 1 22 22 PHE CB C 13 38.396 . . . . . . . A 32 PHE CB . 34713 1 248 . 1 . 1 22 22 PHE CD2 C 13 130.71 . . . . . . . A 32 PHE CD2 . 34713 1 249 . 1 . 1 22 22 PHE N N 15 119.411 . . . . . . . A 32 PHE N . 34713 1 250 . 1 . 1 23 23 THR H H 1 8.427 . . . . . . . A 33 THR H . 34713 1 251 . 1 . 1 23 23 THR HA H 1 3.818 . . . . . . . A 33 THR HA . 34713 1 252 . 1 . 1 23 23 THR HB H 1 4.502 . . . . . . . A 33 THR HB . 34713 1 253 . 1 . 1 23 23 THR HG21 H 1 1.29 . . . . . . . A 33 THR HG21 . 34713 1 254 . 1 . 1 23 23 THR HG22 H 1 1.29 . . . . . . . A 33 THR HG22 . 34713 1 255 . 1 . 1 23 23 THR HG23 H 1 1.29 . . . . . . . A 33 THR HG23 . 34713 1 256 . 1 . 1 23 23 THR CA C 13 66.712 . . . . . . . A 33 THR CA . 34713 1 257 . 1 . 1 23 23 THR CB C 13 68.35 . . . . . . . A 33 THR CB . 34713 1 258 . 1 . 1 23 23 THR CG2 C 13 19.573 . . . . . . . A 33 THR CG2 . 34713 1 259 . 1 . 1 23 23 THR N N 15 115.576 . . . . . . . A 33 THR N . 34713 1 260 . 1 . 1 24 24 ILE H H 1 8.43 . . . . . . . A 34 ILE H . 34713 1 261 . 1 . 1 24 24 ILE HA H 1 3.628 . . . . . . . A 34 ILE HA . 34713 1 262 . 1 . 1 24 24 ILE HB H 1 1.951 . . . . . . . A 34 ILE HB . 34713 1 263 . 1 . 1 24 24 ILE HG12 H 1 1.781 . . . . . . . A 34 ILE HG12 . 34713 1 264 . 1 . 1 24 24 ILE HG13 H 1 1.115 . . . . . . . A 34 ILE HG13 . 34713 1 265 . 1 . 1 24 24 ILE HG21 H 1 0.889 . . . . . . . A 34 ILE HG21 . 34713 1 266 . 1 . 1 24 24 ILE HG22 H 1 0.889 . . . . . . . A 34 ILE HG22 . 34713 1 267 . 1 . 1 24 24 ILE HG23 H 1 0.889 . . . . . . . A 34 ILE HG23 . 34713 1 268 . 1 . 1 24 24 ILE HD11 H 1 0.796 . . . . . . . A 34 ILE HD11 . 34713 1 269 . 1 . 1 24 24 ILE HD12 H 1 0.796 . . . . . . . A 34 ILE HD12 . 34713 1 270 . 1 . 1 24 24 ILE HD13 H 1 0.796 . . . . . . . A 34 ILE HD13 . 34713 1 271 . 1 . 1 24 24 ILE CA C 13 64.929 . . . . . . . A 34 ILE CA . 34713 1 272 . 1 . 1 24 24 ILE CB C 13 37.184 . . . . . . . A 34 ILE CB . 34713 1 273 . 1 . 1 24 24 ILE CG1 C 13 28.331 . . . . . . . A 34 ILE CG1 . 34713 1 274 . 1 . 1 24 24 ILE CG2 C 13 16.009 . . . . . . . A 34 ILE CG2 . 34713 1 275 . 1 . 1 24 24 ILE CD1 C 13 11.502 . . . . . . . A 34 ILE CD1 . 34713 1 276 . 1 . 1 24 24 ILE N N 15 122.635 . . . . . . . A 34 ILE N . 34713 1 277 . 1 . 1 25 25 GLN H H 1 8.076 . . . . . . . A 35 GLN H . 34713 1 278 . 1 . 1 25 25 GLN HA H 1 3.944 . . . . . . . A 35 GLN HA . 34713 1 279 . 1 . 1 25 25 GLN HB2 H 1 2.098 . . . . . . . A 35 GLN HB2 . 34713 1 280 . 1 . 1 25 25 GLN HB3 H 1 2.098 . . . . . . . A 35 GLN HB3 . 34713 1 281 . 1 . 1 25 25 GLN HG2 H 1 2.325 . . . . . . . A 35 GLN HG2 . 34713 1 282 . 1 . 1 25 25 GLN CA C 13 58.189 . . . . . . . A 35 GLN CA . 34713 1 283 . 1 . 1 25 25 GLN CB C 13 27.489 . . . . . . . A 35 GLN CB . 34713 1 284 . 1 . 1 25 25 GLN CG C 13 32.894 . . . . . . . A 35 GLN CG . 34713 1 285 . 1 . 1 25 25 GLN N N 15 117.352 . . . . . . . A 35 GLN N . 34713 1 286 . 1 . 1 26 26 GLN H H 1 7.975 . . . . . . . A 36 GLN H . 34713 1 287 . 1 . 1 26 26 GLN HA H 1 3.991 . . . . . . . A 36 GLN HA . 34713 1 288 . 1 . 1 26 26 GLN HB2 H 1 2.052 . . . . . . . A 36 GLN HB2 . 34713 1 289 . 1 . 1 26 26 GLN HB3 H 1 2.052 . . . . . . . A 36 GLN HB3 . 34713 1 290 . 1 . 1 26 26 GLN HG2 H 1 2.135 . . . . . . . A 36 GLN HG2 . 34713 1 291 . 1 . 1 26 26 GLN CA C 13 57.279 . . . . . . . A 36 GLN CA . 34713 1 292 . 1 . 1 26 26 GLN CB C 13 27.542 . . . . . . . A 36 GLN CB . 34713 1 293 . 1 . 1 26 26 GLN CG C 13 32.666 . . . . . . . A 36 GLN CG . 34713 1 294 . 1 . 1 26 26 GLN N N 15 116.496 . . . . . . . A 36 GLN N . 34713 1 295 . 1 . 1 27 27 ARG H H 1 8.01 . . . . . . . A 37 ARG H . 34713 1 296 . 1 . 1 27 27 ARG HA H 1 4.126 . . . . . . . A 37 ARG HA . 34713 1 297 . 1 . 1 27 27 ARG HB2 H 1 1.961 . . . . . . . A 37 ARG HB2 . 34713 1 298 . 1 . 1 27 27 ARG HB3 H 1 1.962 . . . . . . . A 37 ARG HB3 . 34713 1 299 . 1 . 1 27 27 ARG HG2 H 1 1.828 . . . . . . . A 37 ARG HG2 . 34713 1 300 . 1 . 1 27 27 ARG HG3 H 1 1.725 . . . . . . . A 37 ARG HG3 . 34713 1 301 . 1 . 1 27 27 ARG CA C 13 57.367 . . . . . . . A 37 ARG CA . 34713 1 302 . 1 . 1 27 27 ARG CB C 13 29.13 . . . . . . . A 37 ARG CB . 34713 1 303 . 1 . 1 27 27 ARG CG C 13 26.554 . . . . . . . A 37 ARG CG . 34713 1 304 . 1 . 1 27 27 ARG N N 15 118.637 . . . . . . . A 37 ARG N . 34713 1 305 . 1 . 1 28 28 LYS H H 1 8.071 . . . . . . . A 38 LYS H . 34713 1 306 . 1 . 1 28 28 LYS HA H 1 4.163 . . . . . . . A 38 LYS HA . 34713 1 307 . 1 . 1 28 28 LYS HB2 H 1 1.896 . . . . . . . A 38 LYS HB2 . 34713 1 308 . 1 . 1 28 28 LYS HB3 H 1 1.9 . . . . . . . A 38 LYS HB3 . 34713 1 309 . 1 . 1 28 28 LYS HG2 H 1 1.472 . . . . . . . A 38 LYS HG2 . 34713 1 310 . 1 . 1 28 28 LYS HG3 H 1 1.666 . . . . . . . A 38 LYS HG3 . 34713 1 311 . 1 . 1 28 28 LYS CA C 13 57.161 . . . . . . . A 38 LYS CA . 34713 1 312 . 1 . 1 28 28 LYS CB C 13 32.126 . . . . . . . A 38 LYS CB . 34713 1 313 . 1 . 1 28 28 LYS CG C 13 24.168 . . . . . . . A 38 LYS CG . 34713 1 314 . 1 . 1 28 28 LYS N N 15 118.531 . . . . . . . A 38 LYS N . 34713 1 315 . 1 . 1 29 29 LYS H H 1 7.7 . . . . . . . A 39 LYS H . 34713 1 316 . 1 . 1 29 29 LYS HA H 1 4.223 . . . . . . . A 39 LYS HA . 34713 1 317 . 1 . 1 29 29 LYS HB2 H 1 1.876 . . . . . . . A 39 LYS HB2 . 34713 1 318 . 1 . 1 29 29 LYS HB3 H 1 1.906 . . . . . . . A 39 LYS HB3 . 34713 1 319 . 1 . 1 29 29 LYS HG2 H 1 1.481 . . . . . . . A 39 LYS HG2 . 34713 1 320 . 1 . 1 29 29 LYS HG3 H 1 1.567 . . . . . . . A 39 LYS HG3 . 34713 1 321 . 1 . 1 29 29 LYS CA C 13 56.021 . . . . . . . A 39 LYS CA . 34713 1 322 . 1 . 1 29 29 LYS CB C 13 32.121 . . . . . . . A 39 LYS CB . 34713 1 323 . 1 . 1 29 29 LYS CG C 13 24.18 . . . . . . . A 39 LYS CG . 34713 1 324 . 1 . 1 29 29 LYS N N 15 119.038 . . . . . . . A 39 LYS N . 34713 1 stop_ save_