################################### # 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 34712 _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' . . . 34712 1 2 '2D 1H-1H NOESY' . . . 34712 1 3 '2D 1H-13C HSQC' . . . 34712 1 4 '2D 1H-15N HSQC' . . . 34712 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 4.233 . . . . . . . A 11 LYS HA . 34712 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.884 . . . . . . . A 11 LYS HB2 . 34712 1 3 . 1 . 1 1 1 LYS HG2 H 1 1.571 . . . . . . . A 11 LYS HG2 . 34712 1 4 . 1 . 1 1 1 LYS HG3 H 1 1.569 . . . . . . . A 11 LYS HG3 . 34712 1 5 . 1 . 1 1 1 LYS HD2 H 1 8.306 . . . . . . . A 11 LYS HD2 . 34712 1 6 . 1 . 1 1 1 LYS HD3 H 1 1.783 . . . . . . . A 11 LYS HD3 . 34712 1 7 . 1 . 1 1 1 LYS CA C 13 57.298 . . . . . . . A 11 LYS CA . 34712 1 8 . 1 . 1 1 1 LYS CB C 13 31.731 . . . . . . . A 11 LYS CB . 34712 1 9 . 1 . 1 1 1 LYS CG C 13 24.186 . . . . . . . A 11 LYS CG . 34712 1 10 . 1 . 1 1 1 LYS CD C 13 28.296 . . . . . . . A 11 LYS CD . 34712 1 11 . 1 . 1 1 1 LYS N N 15 126.403 . . . . . . . A 11 LYS N . 34712 1 12 . 1 . 1 3 3 LYS H H 1 8.111 . . . . . . . A 13 LYS H . 34712 1 13 . 1 . 1 3 3 LYS HA H 1 4.209 . . . . . . . A 13 LYS HA . 34712 1 14 . 1 . 1 3 3 LYS HB2 H 1 1.906 . . . . . . . A 13 LYS HB2 . 34712 1 15 . 1 . 1 3 3 LYS HB3 H 1 1.917 . . . . . . . A 13 LYS HB3 . 34712 1 16 . 1 . 1 3 3 LYS HG2 H 1 1.598 . . . . . . . A 13 LYS HG2 . 34712 1 17 . 1 . 1 3 3 LYS HG3 H 1 1.468 . . . . . . . A 13 LYS HG3 . 34712 1 18 . 1 . 1 3 3 LYS HD3 H 1 1.747 . . . . . . . A 13 LYS HD3 . 34712 1 19 . 1 . 1 3 3 LYS CA C 13 58.041 . . . . . . . A 13 LYS CA . 34712 1 20 . 1 . 1 3 3 LYS CB C 13 31.6 . . . . . . . A 13 LYS CB . 34712 1 21 . 1 . 1 3 3 LYS CG C 13 24.455 . . . . . . . A 13 LYS CG . 34712 1 22 . 1 . 1 3 3 LYS CD C 13 28.671 . . . . . . . A 13 LYS CD . 34712 1 23 . 1 . 1 3 3 LYS N N 15 118.595 . . . . . . . A 13 LYS N . 34712 1 24 . 1 . 1 4 4 LEU H H 1 7.704 . . . . . . . A 14 LEU H . 34712 1 25 . 1 . 1 4 4 LEU HA H 1 4.322 . . . . . . . A 14 LEU HA . 34712 1 26 . 1 . 1 4 4 LEU HB3 H 1 1.758 . . . . . . . A 14 LEU HB3 . 34712 1 27 . 1 . 1 4 4 LEU HG H 1 1.766 . . . . . . . A 14 LEU HG . 34712 1 28 . 1 . 1 4 4 LEU HD11 H 1 1.01 . . . . . . . A 14 LEU HD11 . 34712 1 29 . 1 . 1 4 4 LEU HD12 H 1 1.01 . . . . . . . A 14 LEU HD12 . 34712 1 30 . 1 . 1 4 4 LEU HD13 H 1 1.01 . . . . . . . A 14 LEU HD13 . 34712 1 31 . 1 . 1 4 4 LEU HD21 H 1 0.96 . . . . . . . A 14 LEU HD21 . 34712 1 32 . 1 . 1 4 4 LEU HD22 H 1 0.96 . . . . . . . A 14 LEU HD22 . 34712 1 33 . 1 . 1 4 4 LEU HD23 H 1 0.96 . . . . . . . A 14 LEU HD23 . 34712 1 34 . 1 . 1 4 4 LEU CA C 13 57.1 . . . . . . . A 14 LEU CA . 34712 1 35 . 1 . 1 4 4 LEU CB C 13 41.308 . . . . . . . A 14 LEU CB . 34712 1 36 . 1 . 1 4 4 LEU CG C 13 26.467 . . . . . . . A 14 LEU CG . 34712 1 37 . 1 . 1 4 4 LEU CD1 C 13 22.713 . . . . . . . A 14 LEU CD1 . 34712 1 38 . 1 . 1 4 4 LEU CD2 C 13 22.449 . . . . . . . A 14 LEU CD2 . 34712 1 39 . 1 . 1 4 4 LEU N N 15 118.663 . . . . . . . A 14 LEU N . 34712 1 40 . 1 . 1 5 5 GLY H H 1 8.076 . . . . . . . A 15 GLY H . 34712 1 41 . 1 . 1 5 5 GLY HA2 H 1 3.861 . . . . . . . A 15 GLY HA2 . 34712 1 42 . 1 . 1 5 5 GLY HA3 H 1 3.861 . . . . . . . A 15 GLY HA3 . 34712 1 43 . 1 . 1 5 5 GLY CA C 13 46.507 . . . . . . . A 15 GLY CA . 34712 1 44 . 1 . 1 5 5 GLY N N 15 104.55 . . . . . . . A 15 GLY N . 34712 1 45 . 1 . 1 6 6 PHE H H 1 7.713 . . . . . . . A 16 PHE H . 34712 1 46 . 1 . 1 6 6 PHE HA H 1 4.334 . . . . . . . A 16 PHE HA . 34712 1 47 . 1 . 1 6 6 PHE HB2 H 1 3.133 . . . . . . . A 16 PHE HB2 . 34712 1 48 . 1 . 1 6 6 PHE HB3 H 1 3.131 . . . . . . . A 16 PHE HB3 . 34712 1 49 . 1 . 1 6 6 PHE HD1 H 1 7.043 . . . . . . . A 16 PHE HD1 . 34712 1 50 . 1 . 1 6 6 PHE HD2 H 1 7.043 . . . . . . . A 16 PHE HD2 . 34712 1 51 . 1 . 1 6 6 PHE HZ H 1 7.221 . . . . . . . A 16 PHE HZ . 34712 1 52 . 1 . 1 6 6 PHE CA C 13 60.182 . . . . . . . A 16 PHE CA . 34712 1 53 . 1 . 1 6 6 PHE CB C 13 38.225 . . . . . . . A 16 PHE CB . 34712 1 54 . 1 . 1 6 6 PHE CD1 C 13 130.543 . . . . . . . A 16 PHE CD1 . 34712 1 55 . 1 . 1 6 6 PHE CZ C 13 128.887 . . . . . . . A 16 PHE CZ . 34712 1 56 . 1 . 1 6 6 PHE N N 15 119.045 . . . . . . . A 16 PHE N . 34712 1 57 . 1 . 1 7 7 PHE H H 1 8.081 . . . . . . . A 17 PHE H . 34712 1 58 . 1 . 1 7 7 PHE HA H 1 4.222 . . . . . . . A 17 PHE HA . 34712 1 59 . 1 . 1 7 7 PHE HB3 H 1 3.287 . . . . . . . A 17 PHE HB3 . 34712 1 60 . 1 . 1 7 7 PHE HD1 H 1 7.307 . . . . . . . A 17 PHE HD1 . 34712 1 61 . 1 . 1 7 7 PHE HD2 H 1 7.307 . . . . . . . A 17 PHE HD2 . 34712 1 62 . 1 . 1 7 7 PHE CA C 13 61.149 . . . . . . . A 17 PHE CA . 34712 1 63 . 1 . 1 7 7 PHE CB C 13 37.941 . . . . . . . A 17 PHE CB . 34712 1 64 . 1 . 1 7 7 PHE CD1 C 13 130.783 . . . . . . . A 17 PHE CD1 . 34712 1 65 . 1 . 1 7 7 PHE N N 15 120.582 . . . . . . . A 17 PHE N . 34712 1 66 . 1 . 1 8 8 LEU H H 1 8.27 . . . . . . . A 18 LEU H . 34712 1 67 . 1 . 1 8 8 LEU HA H 1 4.165 . . . . . . . A 18 LEU HA . 34712 1 68 . 1 . 1 8 8 LEU HB2 H 1 1.765 . . . . . . . A 18 LEU HB2 . 34712 1 69 . 1 . 1 8 8 LEU HB3 H 1 1.871 . . . . . . . A 18 LEU HB3 . 34712 1 70 . 1 . 1 8 8 LEU HD11 H 1 0.964 . . . . . . . A 18 LEU HD11 . 34712 1 71 . 1 . 1 8 8 LEU HD12 H 1 0.964 . . . . . . . A 18 LEU HD12 . 34712 1 72 . 1 . 1 8 8 LEU HD13 H 1 0.964 . . . . . . . A 18 LEU HD13 . 34712 1 73 . 1 . 1 8 8 LEU CA C 13 57.887 . . . . . . . A 18 LEU CA . 34712 1 74 . 1 . 1 8 8 LEU CB C 13 41.323 . . . . . . . A 18 LEU CB . 34712 1 75 . 1 . 1 8 8 LEU CD1 C 13 21.422 . . . . . . . A 18 LEU CD1 . 34712 1 76 . 1 . 1 8 8 LEU N N 15 120.007 . . . . . . . A 18 LEU N . 34712 1 77 . 1 . 1 9 9 VAL H H 1 8.189 . . . . . . . A 19 VAL H . 34712 1 78 . 1 . 1 9 9 VAL HA H 1 3.784 . . . . . . . A 19 VAL HA . 34712 1 79 . 1 . 1 9 9 VAL HB H 1 2.136 . . . . . . . A 19 VAL HB . 34712 1 80 . 1 . 1 9 9 VAL HG11 H 1 0.983 . . . . . . . A 19 VAL HG11 . 34712 1 81 . 1 . 1 9 9 VAL HG12 H 1 0.983 . . . . . . . A 19 VAL HG12 . 34712 1 82 . 1 . 1 9 9 VAL HG13 H 1 0.983 . . . . . . . A 19 VAL HG13 . 34712 1 83 . 1 . 1 9 9 VAL HG21 H 1 1.11 . . . . . . . A 19 VAL HG21 . 34712 1 84 . 1 . 1 9 9 VAL HG22 H 1 1.11 . . . . . . . A 19 VAL HG22 . 34712 1 85 . 1 . 1 9 9 VAL HG23 H 1 1.11 . . . . . . . A 19 VAL HG23 . 34712 1 86 . 1 . 1 9 9 VAL CA C 13 66.026 . . . . . . . A 19 VAL CA . 34712 1 87 . 1 . 1 9 9 VAL CB C 13 31.013 . . . . . . . A 19 VAL CB . 34712 1 88 . 1 . 1 9 9 VAL CG1 C 13 21.069 . . . . . . . A 19 VAL CG1 . 34712 1 89 . 1 . 1 9 9 VAL CG2 C 13 19.939 . . . . . . . A 19 VAL CG2 . 34712 1 90 . 1 . 1 9 9 VAL N N 15 116.133 . . . . . . . A 19 VAL N . 34712 1 91 . 1 . 1 10 10 THR H H 1 7.612 . . . . . . . A 20 THR H . 34712 1 92 . 1 . 1 10 10 THR HA H 1 3.936 . . . . . . . A 20 THR HA . 34712 1 93 . 1 . 1 10 10 THR HB H 1 4.169 . . . . . . . A 20 THR HB . 34712 1 94 . 1 . 1 10 10 THR HG21 H 1 1.148 . . . . . . . A 20 THR HG21 . 34712 1 95 . 1 . 1 10 10 THR HG22 H 1 1.148 . . . . . . . A 20 THR HG22 . 34712 1 96 . 1 . 1 10 10 THR HG23 H 1 1.148 . . . . . . . A 20 THR HG23 . 34712 1 97 . 1 . 1 10 10 THR CA C 13 66.39 . . . . . . . A 20 THR CA . 34712 1 98 . 1 . 1 10 10 THR CB C 13 68.201 . . . . . . . A 20 THR CB . 34712 1 99 . 1 . 1 10 10 THR CG2 C 13 20.012 . . . . . . . A 20 THR CG2 . 34712 1 100 . 1 . 1 10 10 THR N N 15 114.587 . . . . . . . A 20 THR N . 34712 1 101 . 1 . 1 11 11 PHE H H 1 8.28 . . . . . . . A 21 PHE H . 34712 1 102 . 1 . 1 11 11 PHE HA H 1 4.211 . . . . . . . A 21 PHE HA . 34712 1 103 . 1 . 1 11 11 PHE HB2 H 1 3.038 . . . . . . . A 21 PHE HB2 . 34712 1 104 . 1 . 1 11 11 PHE HB3 H 1 3.09 . . . . . . . A 21 PHE HB3 . 34712 1 105 . 1 . 1 11 11 PHE HD1 H 1 7.144 . . . . . . . A 21 PHE HD1 . 34712 1 106 . 1 . 1 11 11 PHE HD2 H 1 7.144 . . . . . . . A 21 PHE HD2 . 34712 1 107 . 1 . 1 11 11 PHE CA C 13 61.149 . . . . . . . A 21 PHE CA . 34712 1 108 . 1 . 1 11 11 PHE CB C 13 38.118 . . . . . . . A 21 PHE CB . 34712 1 109 . 1 . 1 11 11 PHE CD2 C 13 130.797 . . . . . . . A 21 PHE CD2 . 34712 1 110 . 1 . 1 11 11 PHE N N 15 121.634 . . . . . . . A 21 PHE N . 34712 1 111 . 1 . 1 12 12 LEU H H 1 8.458 . . . . . . . A 22 LEU H . 34712 1 112 . 1 . 1 12 12 LEU HA H 1 4.12 . . . . . . . A 22 LEU HA . 34712 1 113 . 1 . 1 12 12 LEU HB2 H 1 2.059 . . . . . . . A 22 LEU HB2 . 34712 1 114 . 1 . 1 12 12 LEU HB3 H 1 1.564 . . . . . . . A 22 LEU HB3 . 34712 1 115 . 1 . 1 12 12 LEU HD11 H 1 0.965 . . . . . . . A 22 LEU HD11 . 34712 1 116 . 1 . 1 12 12 LEU HD12 H 1 0.965 . . . . . . . A 22 LEU HD12 . 34712 1 117 . 1 . 1 12 12 LEU HD13 H 1 0.965 . . . . . . . A 22 LEU HD13 . 34712 1 118 . 1 . 1 12 12 LEU CA C 13 57.428 . . . . . . . A 22 LEU CA . 34712 1 119 . 1 . 1 12 12 LEU CB C 13 41.033 . . . . . . . A 22 LEU CB . 34712 1 120 . 1 . 1 12 12 LEU N N 15 118.3 . . . . . . . A 22 LEU N . 34712 1 121 . 1 . 1 13 13 PHE H H 1 8.39 . . . . . . . A 23 PHE H . 34712 1 122 . 1 . 1 13 13 PHE HA H 1 4.325 . . . . . . . A 23 PHE HA . 34712 1 123 . 1 . 1 13 13 PHE HB2 H 1 3.327 . . . . . . . A 23 PHE HB2 . 34712 1 124 . 1 . 1 13 13 PHE HB3 H 1 3.357 . . . . . . . A 23 PHE HB3 . 34712 1 125 . 1 . 1 13 13 PHE HD1 H 1 7.232 . . . . . . . A 23 PHE HD1 . 34712 1 126 . 1 . 1 13 13 PHE HD2 H 1 7.232 . . . . . . . A 23 PHE HD2 . 34712 1 127 . 1 . 1 13 13 PHE CA C 13 60.781 . . . . . . . A 23 PHE CA . 34712 1 128 . 1 . 1 13 13 PHE CB C 13 38.505 . . . . . . . A 23 PHE CB . 34712 1 129 . 1 . 1 13 13 PHE CD2 C 13 130.828 . . . . . . . A 23 PHE CD2 . 34712 1 130 . 1 . 1 13 13 PHE N N 15 120.789 . . . . . . . A 23 PHE N . 34712 1 131 . 1 . 1 14 14 ILE H H 1 8.39 . . . . . . . A 24 ILE H . 34712 1 132 . 1 . 1 14 14 ILE HA H 1 3.613 . . . . . . . A 24 ILE HA . 34712 1 133 . 1 . 1 14 14 ILE HB H 1 1.979 . . . . . . . A 24 ILE HB . 34712 1 134 . 1 . 1 14 14 ILE HG13 H 1 1.289 . . . . . . . A 24 ILE HG13 . 34712 1 135 . 1 . 1 14 14 ILE HD11 H 1 0.887 . . . . . . . A 24 ILE HD11 . 34712 1 136 . 1 . 1 14 14 ILE HD12 H 1 0.887 . . . . . . . A 24 ILE HD12 . 34712 1 137 . 1 . 1 14 14 ILE HD13 H 1 0.887 . . . . . . . A 24 ILE HD13 . 34712 1 138 . 1 . 1 14 14 ILE CA C 13 64.427 . . . . . . . A 24 ILE CA . 34712 1 139 . 1 . 1 14 14 ILE CB C 13 37.216 . . . . . . . A 24 ILE CB . 34712 1 140 . 1 . 1 14 14 ILE CG1 C 13 28.075 . . . . . . . A 24 ILE CG1 . 34712 1 141 . 1 . 1 14 14 ILE CD1 C 13 11.486 . . . . . . . A 24 ILE CD1 . 34712 1 142 . 1 . 1 14 14 ILE N N 15 121.179 . . . . . . . A 24 ILE N . 34712 1 143 . 1 . 1 15 15 TRP H H 1 8.79 . . . . . . . A 25 TRP H . 34712 1 144 . 1 . 1 15 15 TRP HA H 1 4.341 . . . . . . . A 25 TRP HA . 34712 1 145 . 1 . 1 15 15 TRP HB2 H 1 2.957 . . . . . . . A 25 TRP HB2 . 34712 1 146 . 1 . 1 15 15 TRP HB3 H 1 3.147 . . . . . . . A 25 TRP HB3 . 34712 1 147 . 1 . 1 15 15 TRP HD1 H 1 6.927 . . . . . . . A 25 TRP HD1 . 34712 1 148 . 1 . 1 15 15 TRP HE1 H 1 8.948 . . . . . . . A 25 TRP HE1 . 34712 1 149 . 1 . 1 15 15 TRP HE3 H 1 7.542 . . . . . . . A 25 TRP HE3 . 34712 1 150 . 1 . 1 15 15 TRP HZ2 H 1 7.336 . . . . . . . A 25 TRP HZ2 . 34712 1 151 . 1 . 1 15 15 TRP HZ3 H 1 7.061 . . . . . . . A 25 TRP HZ3 . 34712 1 152 . 1 . 1 15 15 TRP HH2 H 1 7.131 . . . . . . . A 25 TRP HH2 . 34712 1 153 . 1 . 1 15 15 TRP CA C 13 59.723 . . . . . . . A 25 TRP CA . 34712 1 154 . 1 . 1 15 15 TRP CB C 13 28.291 . . . . . . . A 25 TRP CB . 34712 1 155 . 1 . 1 15 15 TRP CD1 C 13 125.103 . . . . . . . A 25 TRP CD1 . 34712 1 156 . 1 . 1 15 15 TRP CE3 C 13 120.23 . . . . . . . A 25 TRP CE3 . 34712 1 157 . 1 . 1 15 15 TRP CZ2 C 13 113.097 . . . . . . . A 25 TRP CZ2 . 34712 1 158 . 1 . 1 15 15 TRP CZ3 C 13 120.694 . . . . . . . A 25 TRP CZ3 . 34712 1 159 . 1 . 1 15 15 TRP CH2 C 13 123.377 . . . . . . . A 25 TRP CH2 . 34712 1 160 . 1 . 1 15 15 TRP N N 15 121.148 . . . . . . . A 25 TRP N . 34712 1 161 . 1 . 1 15 15 TRP NE1 N 15 124.01 . . . . . . . A 25 TRP NE1 . 34712 1 162 . 1 . 1 16 16 GLY H H 1 8.219 . . . . . . . A 26 GLY H . 34712 1 163 . 1 . 1 16 16 GLY HA2 H 1 3.883 . . . . . . . A 26 GLY HA2 . 34712 1 164 . 1 . 1 16 16 GLY HA3 H 1 3.648 . . . . . . . A 26 GLY HA3 . 34712 1 165 . 1 . 1 16 16 GLY CA C 13 46.526 . . . . . . . A 26 GLY CA . 34712 1 166 . 1 . 1 16 16 GLY N N 15 104.872 . . . . . . . A 26 GLY N . 34712 1 167 . 1 . 1 17 17 MET H H 1 7.954 . . . . . . . A 27 MET H . 34712 1 168 . 1 . 1 17 17 MET HA H 1 4.272 . . . . . . . A 27 MET HA . 34712 1 169 . 1 . 1 17 17 MET HB2 H 1 2.162 . . . . . . . A 27 MET HB2 . 34712 1 170 . 1 . 1 17 17 MET HB3 H 1 1.968 . . . . . . . A 27 MET HB3 . 34712 1 171 . 1 . 1 17 17 MET HG2 H 1 2.331 . . . . . . . A 27 MET HG2 . 34712 1 172 . 1 . 1 17 17 MET HG3 H 1 2.227 . . . . . . . A 27 MET HG3 . 34712 1 173 . 1 . 1 17 17 MET CA C 13 57.279 . . . . . . . A 27 MET CA . 34712 1 174 . 1 . 1 17 17 MET CB C 13 31.131 . . . . . . . A 27 MET CB . 34712 1 175 . 1 . 1 17 17 MET CG C 13 31.415 . . . . . . . A 27 MET CG . 34712 1 176 . 1 . 1 17 17 MET N N 15 121.105 . . . . . . . A 27 MET N . 34712 1 177 . 1 . 1 18 18 MET H H 1 8.441 . . . . . . . A 28 MET H . 34712 1 178 . 1 . 1 18 18 MET HA H 1 4.085 . . . . . . . A 28 MET HA . 34712 1 179 . 1 . 1 18 18 MET HB2 H 1 2.218 . . . . . . . A 28 MET HB2 . 34712 1 180 . 1 . 1 18 18 MET HB3 H 1 1.975 . . . . . . . A 28 MET HB3 . 34712 1 181 . 1 . 1 18 18 MET HG2 H 1 2.444 . . . . . . . A 28 MET HG2 . 34712 1 182 . 1 . 1 18 18 MET HG3 H 1 2.659 . . . . . . . A 28 MET HG3 . 34712 1 183 . 1 . 1 18 18 MET CA C 13 58.472 . . . . . . . A 28 MET CA . 34712 1 184 . 1 . 1 18 18 MET CB C 13 31.187 . . . . . . . A 28 MET CB . 34712 1 185 . 1 . 1 18 18 MET CG C 13 31.458 . . . . . . . A 28 MET CG . 34712 1 186 . 1 . 1 18 18 MET N N 15 120.872 . . . . . . . A 28 MET N . 34712 1 187 . 1 . 1 19 19 LEU H H 1 8.241 . . . . . . . A 29 LEU H . 34712 1 188 . 1 . 1 19 19 LEU HA H 1 4.079 . . . . . . . A 29 LEU HA . 34712 1 189 . 1 . 1 19 19 LEU HB2 H 1 1.544 . . . . . . . A 29 LEU HB2 . 34712 1 190 . 1 . 1 19 19 LEU HB3 H 1 1.587 . . . . . . . A 29 LEU HB3 . 34712 1 191 . 1 . 1 19 19 LEU HG H 1 1.486 . . . . . . . A 29 LEU HG . 34712 1 192 . 1 . 1 19 19 LEU HD11 H 1 0.75 . . . . . . . A 29 LEU HD11 . 34712 1 193 . 1 . 1 19 19 LEU HD12 H 1 0.75 . . . . . . . A 29 LEU HD12 . 34712 1 194 . 1 . 1 19 19 LEU HD13 H 1 0.75 . . . . . . . A 29 LEU HD13 . 34712 1 195 . 1 . 1 19 19 LEU CA C 13 57.432 . . . . . . . A 29 LEU CA . 34712 1 196 . 1 . 1 19 19 LEU CB C 13 40.87 . . . . . . . A 29 LEU CB . 34712 1 197 . 1 . 1 19 19 LEU CG C 13 26.089 . . . . . . . A 29 LEU CG . 34712 1 198 . 1 . 1 19 19 LEU CD1 C 13 22.295 . . . . . . . A 29 LEU CD1 . 34712 1 199 . 1 . 1 19 19 LEU CD2 C 13 22.88 . . . . . . . A 29 LEU CD2 . 34712 1 200 . 1 . 1 19 19 LEU N N 15 120.104 . . . . . . . A 29 LEU N . 34712 1 201 . 1 . 1 20 20 LEU H H 1 8.237 . . . . . . . A 30 LEU H . 34712 1 202 . 1 . 1 20 20 LEU HA H 1 4.103 . . . . . . . A 30 LEU HA . 34712 1 203 . 1 . 1 20 20 LEU HB2 H 1 1.968 . . . . . . . A 30 LEU HB2 . 34712 1 204 . 1 . 1 20 20 LEU HB3 H 1 1.726 . . . . . . . A 30 LEU HB3 . 34712 1 205 . 1 . 1 20 20 LEU HD11 H 1 0.915 . . . . . . . A 30 LEU HD11 . 34712 1 206 . 1 . 1 20 20 LEU HD12 H 1 0.915 . . . . . . . A 30 LEU HD12 . 34712 1 207 . 1 . 1 20 20 LEU HD13 H 1 0.915 . . . . . . . A 30 LEU HD13 . 34712 1 208 . 1 . 1 20 20 LEU HD21 H 1 0.888 . . . . . . . A 30 LEU HD21 . 34712 1 209 . 1 . 1 20 20 LEU HD22 H 1 0.888 . . . . . . . A 30 LEU HD22 . 34712 1 210 . 1 . 1 20 20 LEU HD23 H 1 0.888 . . . . . . . A 30 LEU HD23 . 34712 1 211 . 1 . 1 20 20 LEU CA C 13 58.126 . . . . . . . A 30 LEU CA . 34712 1 212 . 1 . 1 20 20 LEU CB C 13 40.97 . . . . . . . A 30 LEU CB . 34712 1 213 . 1 . 1 20 20 LEU CD1 C 13 22.087 . . . . . . . A 30 LEU CD1 . 34712 1 214 . 1 . 1 20 20 LEU CD2 C 13 23.661 . . . . . . . A 30 LEU CD2 . 34712 1 215 . 1 . 1 20 20 LEU N N 15 123.391 . . . . . . . A 30 LEU N . 34712 1 216 . 1 . 1 21 21 HIS H H 1 8.385 . . . . . . . A 31 HIS H . 34712 1 217 . 1 . 1 21 21 HIS HA H 1 4.189 . . . . . . . A 31 HIS HA . 34712 1 218 . 1 . 1 21 21 HIS HB2 H 1 3.228 . . . . . . . A 31 HIS HB2 . 34712 1 219 . 1 . 1 21 21 HIS HB3 H 1 3.228 . . . . . . . A 31 HIS HB3 . 34712 1 220 . 1 . 1 21 21 HIS HD2 H 1 6.785 . . . . . . . A 31 HIS HD2 . 34712 1 221 . 1 . 1 21 21 HIS HE1 H 1 7.56 . . . . . . . A 31 HIS HE1 . 34712 1 222 . 1 . 1 21 21 HIS CA C 13 60.273 . . . . . . . A 31 HIS CA . 34712 1 223 . 1 . 1 21 21 HIS CB C 13 29.198 . . . . . . . A 31 HIS CB . 34712 1 224 . 1 . 1 21 21 HIS CD2 C 13 120.149 . . . . . . . A 31 HIS CD2 . 34712 1 225 . 1 . 1 21 21 HIS CE1 C 13 136.915 . . . . . . . A 31 HIS CE1 . 34712 1 226 . 1 . 1 21 21 HIS N N 15 118.226 . . . . . . . A 31 HIS N . 34712 1 227 . 1 . 1 22 22 PHE H H 1 8.789 . . . . . . . A 32 PHE H . 34712 1 228 . 1 . 1 22 22 PHE HA H 1 4.241 . . . . . . . A 32 PHE HA . 34712 1 229 . 1 . 1 22 22 PHE HB2 H 1 3.32 . . . . . . . A 32 PHE HB2 . 34712 1 230 . 1 . 1 22 22 PHE HB3 H 1 3.322 . . . . . . . A 32 PHE HB3 . 34712 1 231 . 1 . 1 22 22 PHE HD1 H 1 7.232 . . . . . . . A 32 PHE HD1 . 34712 1 232 . 1 . 1 22 22 PHE HD2 H 1 7.232 . . . . . . . A 32 PHE HD2 . 34712 1 233 . 1 . 1 22 22 PHE CA C 13 60.722 . . . . . . . A 32 PHE CA . 34712 1 234 . 1 . 1 22 22 PHE CB C 13 38.505 . . . . . . . A 32 PHE CB . 34712 1 235 . 1 . 1 22 22 PHE CD2 C 13 130.828 . . . . . . . A 32 PHE CD2 . 34712 1 236 . 1 . 1 22 22 PHE N N 15 119.29 . . . . . . . A 32 PHE N . 34712 1 237 . 1 . 1 23 23 THR H H 1 8.388 . . . . . . . A 33 THR H . 34712 1 238 . 1 . 1 23 23 THR HA H 1 3.817 . . . . . . . A 33 THR HA . 34712 1 239 . 1 . 1 23 23 THR HB H 1 4.514 . . . . . . . A 33 THR HB . 34712 1 240 . 1 . 1 23 23 THR HG21 H 1 1.289 . . . . . . . A 33 THR HG21 . 34712 1 241 . 1 . 1 23 23 THR HG22 H 1 1.289 . . . . . . . A 33 THR HG22 . 34712 1 242 . 1 . 1 23 23 THR HG23 H 1 1.289 . . . . . . . A 33 THR HG23 . 34712 1 243 . 1 . 1 23 23 THR CA C 13 66.801 . . . . . . . A 33 THR CA . 34712 1 244 . 1 . 1 23 23 THR CB C 13 68.324 . . . . . . . A 33 THR CB . 34712 1 245 . 1 . 1 23 23 THR CG2 C 13 19.567 . . . . . . . A 33 THR CG2 . 34712 1 246 . 1 . 1 23 23 THR N N 15 115.76 . . . . . . . A 33 THR N . 34712 1 247 . 1 . 1 24 24 ILE H H 1 8.445 . . . . . . . A 34 ILE H . 34712 1 248 . 1 . 1 24 24 ILE HA H 1 3.621 . . . . . . . A 34 ILE HA . 34712 1 249 . 1 . 1 24 24 ILE HB H 1 1.957 . . . . . . . A 34 ILE HB . 34712 1 250 . 1 . 1 24 24 ILE HG12 H 1 1.782 . . . . . . . A 34 ILE HG12 . 34712 1 251 . 1 . 1 24 24 ILE HG13 H 1 1.122 . . . . . . . A 34 ILE HG13 . 34712 1 252 . 1 . 1 24 24 ILE HG21 H 1 0.888 . . . . . . . A 34 ILE HG21 . 34712 1 253 . 1 . 1 24 24 ILE HG22 H 1 0.888 . . . . . . . A 34 ILE HG22 . 34712 1 254 . 1 . 1 24 24 ILE HG23 H 1 0.888 . . . . . . . A 34 ILE HG23 . 34712 1 255 . 1 . 1 24 24 ILE HD11 H 1 0.791 . . . . . . . A 34 ILE HD11 . 34712 1 256 . 1 . 1 24 24 ILE HD12 H 1 0.791 . . . . . . . A 34 ILE HD12 . 34712 1 257 . 1 . 1 24 24 ILE HD13 H 1 0.791 . . . . . . . A 34 ILE HD13 . 34712 1 258 . 1 . 1 24 24 ILE CA C 13 64.975 . . . . . . . A 34 ILE CA . 34712 1 259 . 1 . 1 24 24 ILE CB C 13 37.216 . . . . . . . A 34 ILE CB . 34712 1 260 . 1 . 1 24 24 ILE CG1 C 13 28.296 . . . . . . . A 34 ILE CG1 . 34712 1 261 . 1 . 1 24 24 ILE CG2 C 13 16.011 . . . . . . . A 34 ILE CG2 . 34712 1 262 . 1 . 1 24 24 ILE CD1 C 13 11.588 . . . . . . . A 34 ILE CD1 . 34712 1 263 . 1 . 1 24 24 ILE N N 15 122.61 . . . . . . . A 34 ILE N . 34712 1 264 . 1 . 1 25 25 GLN H H 1 8.103 . . . . . . . A 35 GLN H . 34712 1 265 . 1 . 1 25 25 GLN HA H 1 3.939 . . . . . . . A 35 GLN HA . 34712 1 266 . 1 . 1 25 25 GLN HB2 H 1 2.099 . . . . . . . A 35 GLN HB2 . 34712 1 267 . 1 . 1 25 25 GLN HB3 H 1 2.099 . . . . . . . A 35 GLN HB3 . 34712 1 268 . 1 . 1 25 25 GLN HG2 H 1 2.329 . . . . . . . A 35 GLN HG2 . 34712 1 269 . 1 . 1 25 25 GLN CA C 13 58.214 . . . . . . . A 35 GLN CA . 34712 1 270 . 1 . 1 25 25 GLN CB C 13 27.516 . . . . . . . A 35 GLN CB . 34712 1 271 . 1 . 1 25 25 GLN CG C 13 32.899 . . . . . . . A 35 GLN CG . 34712 1 272 . 1 . 1 25 25 GLN N N 15 117.329 . . . . . . . A 35 GLN N . 34712 1 273 . 1 . 1 26 26 GLN H H 1 7.98 . . . . . . . A 36 GLN H . 34712 1 274 . 1 . 1 26 26 GLN HA H 1 3.991 . . . . . . . A 36 GLN HA . 34712 1 275 . 1 . 1 26 26 GLN HB2 H 1 2.055 . . . . . . . A 36 GLN HB2 . 34712 1 276 . 1 . 1 26 26 GLN HB3 H 1 2.055 . . . . . . . A 36 GLN HB3 . 34712 1 277 . 1 . 1 26 26 GLN HG2 H 1 2.136 . . . . . . . A 36 GLN HG2 . 34712 1 278 . 1 . 1 26 26 GLN HG3 H 1 2.138 . . . . . . . A 36 GLN HG3 . 34712 1 279 . 1 . 1 26 26 GLN CA C 13 57.31 . . . . . . . A 36 GLN CA . 34712 1 280 . 1 . 1 26 26 GLN CB C 13 27.535 . . . . . . . A 36 GLN CB . 34712 1 281 . 1 . 1 26 26 GLN CG C 13 32.679 . . . . . . . A 36 GLN CG . 34712 1 282 . 1 . 1 26 26 GLN N N 15 116.556 . . . . . . . A 36 GLN N . 34712 1 283 . 1 . 1 27 27 ARG H H 1 8.026 . . . . . . . A 37 ARG H . 34712 1 284 . 1 . 1 27 27 ARG HA H 1 4.127 . . . . . . . A 37 ARG HA . 34712 1 285 . 1 . 1 27 27 ARG HB2 H 1 1.966 . . . . . . . A 37 ARG HB2 . 34712 1 286 . 1 . 1 27 27 ARG HB3 H 1 1.968 . . . . . . . A 37 ARG HB3 . 34712 1 287 . 1 . 1 27 27 ARG HG2 H 1 1.825 . . . . . . . A 37 ARG HG2 . 34712 1 288 . 1 . 1 27 27 ARG HG3 H 1 1.73 . . . . . . . A 37 ARG HG3 . 34712 1 289 . 1 . 1 27 27 ARG HD2 H 1 3.145 . . . . . . . A 37 ARG HD2 . 34712 1 290 . 1 . 1 27 27 ARG HD3 H 1 3.145 . . . . . . . A 37 ARG HD3 . 34712 1 291 . 1 . 1 27 27 ARG CA C 13 57.417 . . . . . . . A 37 ARG CA . 34712 1 292 . 1 . 1 27 27 ARG CB C 13 29.147 . . . . . . . A 37 ARG CB . 34712 1 293 . 1 . 1 27 27 ARG CG C 13 26.548 . . . . . . . A 37 ARG CG . 34712 1 294 . 1 . 1 27 27 ARG CD C 13 42.382 . . . . . . . A 37 ARG CD . 34712 1 295 . 1 . 1 27 27 ARG N N 15 118.681 . . . . . . . A 37 ARG N . 34712 1 296 . 1 . 1 28 28 LYS H H 1 8.077 . . . . . . . A 38 LYS H . 34712 1 297 . 1 . 1 28 28 LYS HA H 1 4.16 . . . . . . . A 38 LYS HA . 34712 1 298 . 1 . 1 28 28 LYS HB3 H 1 1.902 . . . . . . . A 38 LYS HB3 . 34712 1 299 . 1 . 1 28 28 LYS HG2 H 1 1.658 . . . . . . . A 38 LYS HG2 . 34712 1 300 . 1 . 1 28 28 LYS HG3 H 1 1.473 . . . . . . . A 38 LYS HG3 . 34712 1 301 . 1 . 1 28 28 LYS HD3 H 1 1.659 . . . . . . . A 38 LYS HD3 . 34712 1 302 . 1 . 1 28 28 LYS CA C 13 57.18 . . . . . . . A 38 LYS CA . 34712 1 303 . 1 . 1 28 28 LYS CB C 13 32.139 . . . . . . . A 38 LYS CB . 34712 1 304 . 1 . 1 28 28 LYS CG C 13 24.186 . . . . . . . A 38 LYS CG . 34712 1 305 . 1 . 1 28 28 LYS CD C 13 28.67 . . . . . . . A 38 LYS CD . 34712 1 306 . 1 . 1 28 28 LYS N N 15 118.546 . . . . . . . A 38 LYS N . 34712 1 307 . 1 . 1 29 29 LYS H H 1 7.702 . . . . . . . A 39 LYS H . 34712 1 308 . 1 . 1 29 29 LYS HA H 1 4.222 . . . . . . . A 39 LYS HA . 34712 1 309 . 1 . 1 29 29 LYS HB2 H 1 1.913 . . . . . . . A 39 LYS HB2 . 34712 1 310 . 1 . 1 29 29 LYS HB3 H 1 1.911 . . . . . . . A 39 LYS HB3 . 34712 1 311 . 1 . 1 29 29 LYS HG2 H 1 1.473 . . . . . . . A 39 LYS HG2 . 34712 1 312 . 1 . 1 29 29 LYS HG3 H 1 1.567 . . . . . . . A 39 LYS HG3 . 34712 1 313 . 1 . 1 29 29 LYS HD3 H 1 1.689 . . . . . . . A 39 LYS HD3 . 34712 1 314 . 1 . 1 29 29 LYS CA C 13 56.056 . . . . . . . A 39 LYS CA . 34712 1 315 . 1 . 1 29 29 LYS CB C 13 32.139 . . . . . . . A 39 LYS CB . 34712 1 316 . 1 . 1 29 29 LYS CG C 13 24.182 . . . . . . . A 39 LYS CG . 34712 1 317 . 1 . 1 29 29 LYS CD C 13 28.433 . . . . . . . A 39 LYS CD . 34712 1 318 . 1 . 1 29 29 LYS N N 15 119.014 . . . . . . . A 39 LYS N . 34712 1 stop_ save_