################################### # 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 34711 _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 NOESY' . . . 34711 1 2 '2D 1H-1H TOCSY' . . . 34711 1 3 '2D 1H-13C HSQC' . . . 34711 1 4 '2D 1H-15N HSQC' . . . 34711 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 4.242 . . . . . . . A 11 LYS HA . 34711 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.893 . . . . . . . A 11 LYS HB2 . 34711 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.892 . . . . . . . A 11 LYS HB3 . 34711 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.57 . . . . . . . A 11 LYS HG2 . 34711 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.526 . . . . . . . A 11 LYS HG3 . 34711 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.779 . . . . . . . A 11 LYS HD2 . 34711 1 7 . 1 . 1 1 1 LYS HD3 H 1 8.361 . . . . . . . A 11 LYS HD3 . 34711 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.019 . . . . . . . A 11 LYS HE2 . 34711 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.019 . . . . . . . A 11 LYS HE3 . 34711 1 10 . 1 . 1 1 1 LYS CA C 13 57.422 . . . . . . . A 11 LYS CA . 34711 1 11 . 1 . 1 1 1 LYS CB C 13 31.625 . . . . . . . A 11 LYS CB . 34711 1 12 . 1 . 1 1 1 LYS CG C 13 23.807 . . . . . . . A 11 LYS CG . 34711 1 13 . 1 . 1 1 1 LYS CD C 13 28.3 . . . . . . . A 11 LYS CD . 34711 1 14 . 1 . 1 1 1 LYS CE C 13 40.862 . . . . . . . A 11 LYS CE . 34711 1 15 . 1 . 1 1 1 LYS N N 15 126.526 . . . . . . . A 11 LYS N . 34711 1 16 . 1 . 1 3 3 LYS H H 1 8.117 . . . . . . . A 13 LYS H . 34711 1 17 . 1 . 1 3 3 LYS HA H 1 4.197 . . . . . . . A 13 LYS HA . 34711 1 18 . 1 . 1 3 3 LYS HB2 H 1 1.918 . . . . . . . A 13 LYS HB2 . 34711 1 19 . 1 . 1 3 3 LYS HB3 H 1 1.918 . . . . . . . A 13 LYS HB3 . 34711 1 20 . 1 . 1 3 3 LYS HG2 H 1 1.61 . . . . . . . A 13 LYS HG2 . 34711 1 21 . 1 . 1 3 3 LYS HG3 H 1 1.471 . . . . . . . A 13 LYS HG3 . 34711 1 22 . 1 . 1 3 3 LYS HD2 H 1 1.744 . . . . . . . A 13 LYS HD2 . 34711 1 23 . 1 . 1 3 3 LYS HD3 H 1 1.744 . . . . . . . A 13 LYS HD3 . 34711 1 24 . 1 . 1 3 3 LYS HE2 H 1 2.99 . . . . . . . A 13 LYS HE2 . 34711 1 25 . 1 . 1 3 3 LYS HE3 H 1 2.99 . . . . . . . A 13 LYS HE3 . 34711 1 26 . 1 . 1 3 3 LYS CA C 13 58.239 . . . . . . . A 13 LYS CA . 34711 1 27 . 1 . 1 3 3 LYS CB C 13 31.533 . . . . . . . A 13 LYS CB . 34711 1 28 . 1 . 1 3 3 LYS CG C 13 24.476 . . . . . . . A 13 LYS CG . 34711 1 29 . 1 . 1 3 3 LYS CD C 13 28.719 . . . . . . . A 13 LYS CD . 34711 1 30 . 1 . 1 3 3 LYS CE C 13 41.166 . . . . . . . A 13 LYS CE . 34711 1 31 . 1 . 1 3 3 LYS N N 15 118.679 . . . . . . . A 13 LYS N . 34711 1 32 . 1 . 1 4 4 LEU H H 1 7.708 . . . . . . . A 14 LEU H . 34711 1 33 . 1 . 1 4 4 LEU HA H 1 4.302 . . . . . . . A 14 LEU HA . 34711 1 34 . 1 . 1 4 4 LEU HB2 H 1 1.826 . . . . . . . A 14 LEU HB2 . 34711 1 35 . 1 . 1 4 4 LEU HB3 H 1 1.71 . . . . . . . A 14 LEU HB3 . 34711 1 36 . 1 . 1 4 4 LEU HG H 1 1.722 . . . . . . . A 14 LEU HG . 34711 1 37 . 1 . 1 4 4 LEU HD11 H 1 0.948 . . . . . . . A 14 LEU HD11 . 34711 1 38 . 1 . 1 4 4 LEU HD12 H 1 0.948 . . . . . . . A 14 LEU HD12 . 34711 1 39 . 1 . 1 4 4 LEU HD13 H 1 0.948 . . . . . . . A 14 LEU HD13 . 34711 1 40 . 1 . 1 4 4 LEU HD21 H 1 1.007 . . . . . . . A 14 LEU HD21 . 34711 1 41 . 1 . 1 4 4 LEU HD22 H 1 1.007 . . . . . . . A 14 LEU HD22 . 34711 1 42 . 1 . 1 4 4 LEU HD23 H 1 1.007 . . . . . . . A 14 LEU HD23 . 34711 1 43 . 1 . 1 4 4 LEU CA C 13 57.236 . . . . . . . A 14 LEU CA . 34711 1 44 . 1 . 1 4 4 LEU CB C 13 41.279 . . . . . . . A 14 LEU CB . 34711 1 45 . 1 . 1 4 4 LEU CG C 13 26.452 . . . . . . . A 14 LEU CG . 34711 1 46 . 1 . 1 4 4 LEU CD1 C 13 23.152 . . . . . . . A 14 LEU CD1 . 34711 1 47 . 1 . 1 4 4 LEU CD2 C 13 22.348 . . . . . . . A 14 LEU CD2 . 34711 1 48 . 1 . 1 4 4 LEU N N 15 118.624 . . . . . . . A 14 LEU N . 34711 1 49 . 1 . 1 5 5 GLY H H 1 8.115 . . . . . . . A 15 GLY H . 34711 1 50 . 1 . 1 5 5 GLY HA2 H 1 3.846 . . . . . . . A 15 GLY HA2 . 34711 1 51 . 1 . 1 5 5 GLY HA3 H 1 3.839 . . . . . . . A 15 GLY HA3 . 34711 1 52 . 1 . 1 5 5 GLY CA C 13 46.65 . . . . . . . A 15 GLY CA . 34711 1 53 . 1 . 1 5 5 GLY N N 15 104.534 . . . . . . . A 15 GLY N . 34711 1 54 . 1 . 1 6 6 PHE H H 1 7.784 . . . . . . . A 16 PHE H . 34711 1 55 . 1 . 1 6 6 PHE HA H 1 4.294 . . . . . . . A 16 PHE HA . 34711 1 56 . 1 . 1 6 6 PHE HB2 H 1 3.175 . . . . . . . A 16 PHE HB2 . 34711 1 57 . 1 . 1 6 6 PHE HB3 H 1 3.174 . . . . . . . A 16 PHE HB3 . 34711 1 58 . 1 . 1 6 6 PHE HD1 H 1 7.059 . . . . . . . A 16 PHE HD1 . 34711 1 59 . 1 . 1 6 6 PHE HD2 H 1 7.059 . . . . . . . A 16 PHE HD2 . 34711 1 60 . 1 . 1 6 6 PHE CA C 13 60.452 . . . . . . . A 16 PHE CA . 34711 1 61 . 1 . 1 6 6 PHE CB C 13 38.208 . . . . . . . A 16 PHE CB . 34711 1 62 . 1 . 1 6 6 PHE CD1 C 13 130.548 . . . . . . . A 16 PHE CD1 . 34711 1 63 . 1 . 1 6 6 PHE N N 15 119.195 . . . . . . . A 16 PHE N . 34711 1 64 . 1 . 1 7 7 PHE H H 1 8.195 . . . . . . . A 17 PHE H . 34711 1 65 . 1 . 1 7 7 PHE HA H 1 4.189 . . . . . . . A 17 PHE HA . 34711 1 66 . 1 . 1 7 7 PHE HB2 H 1 3.338 . . . . . . . A 17 PHE HB2 . 34711 1 67 . 1 . 1 7 7 PHE HB3 H 1 3.285 . . . . . . . A 17 PHE HB3 . 34711 1 68 . 1 . 1 7 7 PHE HD1 H 1 7.262 . . . . . . . A 17 PHE HD1 . 34711 1 69 . 1 . 1 7 7 PHE HD2 H 1 7.262 . . . . . . . A 17 PHE HD2 . 34711 1 70 . 1 . 1 7 7 PHE CA C 13 61.048 . . . . . . . A 17 PHE CA . 34711 1 71 . 1 . 1 7 7 PHE CB C 13 38.166 . . . . . . . A 17 PHE CB . 34711 1 72 . 1 . 1 7 7 PHE CD2 C 13 130.789 . . . . . . . A 17 PHE CD2 . 34711 1 73 . 1 . 1 7 7 PHE N N 15 120.508 . . . . . . . A 17 PHE N . 34711 1 74 . 1 . 1 8 8 LEU H H 1 8.454 . . . . . . . A 18 LEU H . 34711 1 75 . 1 . 1 8 8 LEU HA H 1 4.053 . . . . . . . A 18 LEU HA . 34711 1 76 . 1 . 1 8 8 LEU HB2 H 1 1.554 . . . . . . . A 18 LEU HB2 . 34711 1 77 . 1 . 1 8 8 LEU HB3 H 1 1.996 . . . . . . . A 18 LEU HB3 . 34711 1 78 . 1 . 1 8 8 LEU HG H 1 1.956 . . . . . . . A 18 LEU HG . 34711 1 79 . 1 . 1 8 8 LEU HD11 H 1 0.921 . . . . . . . A 18 LEU HD11 . 34711 1 80 . 1 . 1 8 8 LEU HD12 H 1 0.921 . . . . . . . A 18 LEU HD12 . 34711 1 81 . 1 . 1 8 8 LEU HD13 H 1 0.921 . . . . . . . A 18 LEU HD13 . 34711 1 82 . 1 . 1 8 8 LEU CA C 13 57.841 . . . . . . . A 18 LEU CA . 34711 1 83 . 1 . 1 8 8 LEU CB C 13 41.134 . . . . . . . A 18 LEU CB . 34711 1 84 . 1 . 1 8 8 LEU CG C 13 26.217 . . . . . . . A 18 LEU CG . 34711 1 85 . 1 . 1 8 8 LEU CD1 C 13 23.814 . . . . . . . A 18 LEU CD1 . 34711 1 86 . 1 . 1 8 8 LEU N N 15 119.339 . . . . . . . A 18 LEU N . 34711 1 87 . 1 . 1 9 9 VAL H H 1 8.234 . . . . . . . A 19 VAL H . 34711 1 88 . 1 . 1 9 9 VAL HA H 1 3.841 . . . . . . . A 19 VAL HA . 34711 1 89 . 1 . 1 9 9 VAL HB H 1 2.13 . . . . . . . A 19 VAL HB . 34711 1 90 . 1 . 1 9 9 VAL HG11 H 1 1.081 . . . . . . . A 19 VAL HG11 . 34711 1 91 . 1 . 1 9 9 VAL HG12 H 1 1.081 . . . . . . . A 19 VAL HG12 . 34711 1 92 . 1 . 1 9 9 VAL HG13 H 1 1.081 . . . . . . . A 19 VAL HG13 . 34711 1 93 . 1 . 1 9 9 VAL HG21 H 1 0.977 . . . . . . . A 19 VAL HG21 . 34711 1 94 . 1 . 1 9 9 VAL HG22 H 1 0.977 . . . . . . . A 19 VAL HG22 . 34711 1 95 . 1 . 1 9 9 VAL HG23 H 1 0.977 . . . . . . . A 19 VAL HG23 . 34711 1 96 . 1 . 1 9 9 VAL CA C 13 65.244 . . . . . . . A 19 VAL CA . 34711 1 97 . 1 . 1 9 9 VAL CB C 13 31.342 . . . . . . . A 19 VAL CB . 34711 1 98 . 1 . 1 9 9 VAL CG1 C 13 20.948 . . . . . . . A 19 VAL CG1 . 34711 1 99 . 1 . 1 9 9 VAL CG2 C 13 19.874 . . . . . . . A 19 VAL CG2 . 34711 1 100 . 1 . 1 9 9 VAL N N 15 116.911 . . . . . . . A 19 VAL N . 34711 1 101 . 1 . 1 10 10 THR H H 1 7.751 . . . . . . . A 20 THR H . 34711 1 102 . 1 . 1 10 10 THR HA H 1 3.889 . . . . . . . A 20 THR HA . 34711 1 103 . 1 . 1 10 10 THR HB H 1 3.855 . . . . . . . A 20 THR HB . 34711 1 104 . 1 . 1 10 10 THR HG21 H 1 0.778 . . . . . . . A 20 THR HG21 . 34711 1 105 . 1 . 1 10 10 THR HG22 H 1 0.778 . . . . . . . A 20 THR HG22 . 34711 1 106 . 1 . 1 10 10 THR HG23 H 1 0.778 . . . . . . . A 20 THR HG23 . 34711 1 107 . 1 . 1 10 10 THR CA C 13 65.603 . . . . . . . A 20 THR CA . 34711 1 108 . 1 . 1 10 10 THR CB C 13 68.369 . . . . . . . A 20 THR CB . 34711 1 109 . 1 . 1 10 10 THR CG2 C 13 19.784 . . . . . . . A 20 THR CG2 . 34711 1 110 . 1 . 1 10 10 THR N N 15 114.454 . . . . . . . A 20 THR N . 34711 1 111 . 1 . 1 11 11 PHE H H 1 8.412 . . . . . . . A 21 PHE H . 34711 1 112 . 1 . 1 11 11 PHE HA H 1 4.387 . . . . . . . A 21 PHE HA . 34711 1 113 . 1 . 1 11 11 PHE HB2 H 1 2.942 . . . . . . . A 21 PHE HB2 . 34711 1 114 . 1 . 1 11 11 PHE HB3 H 1 2.78 . . . . . . . A 21 PHE HB3 . 34711 1 115 . 1 . 1 11 11 PHE HD1 H 1 7.073 . . . . . . . A 21 PHE HD1 . 34711 1 116 . 1 . 1 11 11 PHE HD2 H 1 7.073 . . . . . . . A 21 PHE HD2 . 34711 1 117 . 1 . 1 11 11 PHE CA C 13 59.804 . . . . . . . A 21 PHE CA . 34711 1 118 . 1 . 1 11 11 PHE CB C 13 38.391 . . . . . . . A 21 PHE CB . 34711 1 119 . 1 . 1 11 11 PHE CD2 C 13 130.74 . . . . . . . A 21 PHE CD2 . 34711 1 120 . 1 . 1 11 11 PHE N N 15 119.955 . . . . . . . A 21 PHE N . 34711 1 121 . 1 . 1 12 12 GLY H H 1 8.001 . . . . . . . A 22 GLY H . 34711 1 122 . 1 . 1 12 12 GLY HA2 H 1 3.883 . . . . . . . A 22 GLY HA2 . 34711 1 123 . 1 . 1 12 12 GLY HA3 H 1 3.901 . . . . . . . A 22 GLY HA3 . 34711 1 124 . 1 . 1 12 12 GLY CA C 13 45.636 . . . . . . . A 22 GLY CA . 34711 1 125 . 1 . 1 12 12 GLY N N 15 104.81 . . . . . . . A 22 GLY N . 34711 1 126 . 1 . 1 13 13 PHE H H 1 7.654 . . . . . . . A 23 PHE H . 34711 1 127 . 1 . 1 13 13 PHE HA H 1 4.71 . . . . . . . A 23 PHE HA . 34711 1 128 . 1 . 1 13 13 PHE HB2 H 1 3.238 . . . . . . . A 23 PHE HB2 . 34711 1 129 . 1 . 1 13 13 PHE HB3 H 1 3.193 . . . . . . . A 23 PHE HB3 . 34711 1 130 . 1 . 1 13 13 PHE HD1 H 1 7.28 . . . . . . . A 23 PHE HD1 . 34711 1 131 . 1 . 1 13 13 PHE HD2 H 1 7.28 . . . . . . . A 23 PHE HD2 . 34711 1 132 . 1 . 1 13 13 PHE CA C 13 58.82 . . . . . . . A 23 PHE CA . 34711 1 133 . 1 . 1 13 13 PHE CB C 13 39.38 . . . . . . . A 23 PHE CB . 34711 1 134 . 1 . 1 13 13 PHE CD2 C 13 130.868 . . . . . . . A 23 PHE CD2 . 34711 1 135 . 1 . 1 13 13 PHE N N 15 117.376 . . . . . . . A 23 PHE N . 34711 1 136 . 1 . 1 14 14 ILE H H 1 7.909 . . . . . . . A 24 ILE H . 34711 1 137 . 1 . 1 14 14 ILE HA H 1 4.076 . . . . . . . A 24 ILE HA . 34711 1 138 . 1 . 1 14 14 ILE HB H 1 2.02 . . . . . . . A 24 ILE HB . 34711 1 139 . 1 . 1 14 14 ILE HG12 H 1 1.576 . . . . . . . A 24 ILE HG12 . 34711 1 140 . 1 . 1 14 14 ILE HG13 H 1 1.299 . . . . . . . A 24 ILE HG13 . 34711 1 141 . 1 . 1 14 14 ILE HG21 H 1 0.93 . . . . . . . A 24 ILE HG21 . 34711 1 142 . 1 . 1 14 14 ILE HG22 H 1 0.93 . . . . . . . A 24 ILE HG22 . 34711 1 143 . 1 . 1 14 14 ILE HG23 H 1 0.93 . . . . . . . A 24 ILE HG23 . 34711 1 144 . 1 . 1 14 14 ILE HD11 H 1 0.885 . . . . . . . A 24 ILE HD11 . 34711 1 145 . 1 . 1 14 14 ILE HD12 H 1 0.885 . . . . . . . A 24 ILE HD12 . 34711 1 146 . 1 . 1 14 14 ILE HD13 H 1 0.885 . . . . . . . A 24 ILE HD13 . 34711 1 147 . 1 . 1 14 14 ILE CA C 13 62.385 . . . . . . . A 24 ILE CA . 34711 1 148 . 1 . 1 14 14 ILE CB C 13 38.018 . . . . . . . A 24 ILE CB . 34711 1 149 . 1 . 1 14 14 ILE CG1 C 13 27.241 . . . . . . . A 24 ILE CG1 . 34711 1 150 . 1 . 1 14 14 ILE CG2 C 13 16.381 . . . . . . . A 24 ILE CG2 . 34711 1 151 . 1 . 1 14 14 ILE CD1 C 13 11.59 . . . . . . . A 24 ILE CD1 . 34711 1 152 . 1 . 1 14 14 ILE N N 15 117.135 . . . . . . . A 24 ILE N . 34711 1 153 . 1 . 1 15 15 TRP H H 1 8.332 . . . . . . . A 25 TRP H . 34711 1 154 . 1 . 1 15 15 TRP HA H 1 4.67 . . . . . . . A 25 TRP HA . 34711 1 155 . 1 . 1 15 15 TRP HB2 H 1 3.201 . . . . . . . A 25 TRP HB2 . 34711 1 156 . 1 . 1 15 15 TRP HB3 H 1 3.201 . . . . . . . A 25 TRP HB3 . 34711 1 157 . 1 . 1 15 15 TRP HD1 H 1 7.137 . . . . . . . A 25 TRP HD1 . 34711 1 158 . 1 . 1 15 15 TRP HE1 H 1 9.193 . . . . . . . A 25 TRP HE1 . 34711 1 159 . 1 . 1 15 15 TRP HE3 H 1 7.528 . . . . . . . A 25 TRP HE3 . 34711 1 160 . 1 . 1 15 15 TRP HZ2 H 1 7.363 . . . . . . . A 25 TRP HZ2 . 34711 1 161 . 1 . 1 15 15 TRP HZ3 H 1 7.137 . . . . . . . A 25 TRP HZ3 . 34711 1 162 . 1 . 1 15 15 TRP HH2 H 1 7.057 . . . . . . . A 25 TRP HH2 . 34711 1 163 . 1 . 1 15 15 TRP CA C 13 60.726 . . . . . . . A 25 TRP CA . 34711 1 164 . 1 . 1 15 15 TRP CB C 13 26.579 . . . . . . . A 25 TRP CB . 34711 1 165 . 1 . 1 15 15 TRP CD1 C 13 125.35 . . . . . . . A 25 TRP CD1 . 34711 1 166 . 1 . 1 15 15 TRP CE3 C 13 120.315 . . . . . . . A 25 TRP CE3 . 34711 1 167 . 1 . 1 15 15 TRP CZ2 C 13 113.414 . . . . . . . A 25 TRP CZ2 . 34711 1 168 . 1 . 1 15 15 TRP CZ3 C 13 123.686 . . . . . . . A 25 TRP CZ3 . 34711 1 169 . 1 . 1 15 15 TRP CH2 C 13 120.83 . . . . . . . A 25 TRP CH2 . 34711 1 170 . 1 . 1 15 15 TRP N N 15 121.546 . . . . . . . A 25 TRP N . 34711 1 171 . 1 . 1 15 15 TRP NE1 N 15 124.922 . . . . . . . A 25 TRP NE1 . 34711 1 172 . 1 . 1 16 16 PRO HA H 1 4.041 . . . . . . . A 26 PRO HA . 34711 1 173 . 1 . 1 16 16 PRO HB2 H 1 1.714 . . . . . . . A 26 PRO HB2 . 34711 1 174 . 1 . 1 16 16 PRO HB3 H 1 2.174 . . . . . . . A 26 PRO HB3 . 34711 1 175 . 1 . 1 16 16 PRO HG2 H 1 1.549 . . . . . . . A 26 PRO HG2 . 34711 1 176 . 1 . 1 16 16 PRO HG3 H 1 1.995 . . . . . . . A 26 PRO HG3 . 34711 1 177 . 1 . 1 16 16 PRO HD2 H 1 3.451 . . . . . . . A 26 PRO HD2 . 34711 1 178 . 1 . 1 16 16 PRO HD3 H 1 3.451 . . . . . . . A 26 PRO HD3 . 34711 1 179 . 1 . 1 16 16 PRO CA C 13 65.673 . . . . . . . A 26 PRO CA . 34711 1 180 . 1 . 1 16 16 PRO CB C 13 29.925 . . . . . . . A 26 PRO CB . 34711 1 181 . 1 . 1 16 16 PRO CG C 13 27.329 . . . . . . . A 26 PRO CG . 34711 1 182 . 1 . 1 16 16 PRO CD C 13 49.341 . . . . . . . A 26 PRO CD . 34711 1 183 . 1 . 1 17 17 MET H H 1 7.301 . . . . . . . A 27 MET H . 34711 1 184 . 1 . 1 17 17 MET HA H 1 4.277 . . . . . . . A 27 MET HA . 34711 1 185 . 1 . 1 17 17 MET HB2 H 1 2.215 . . . . . . . A 27 MET HB2 . 34711 1 186 . 1 . 1 17 17 MET HB3 H 1 2.073 . . . . . . . A 27 MET HB3 . 34711 1 187 . 1 . 1 17 17 MET HG2 H 1 2.463 . . . . . . . A 27 MET HG2 . 34711 1 188 . 1 . 1 17 17 MET HG3 H 1 2.524 . . . . . . . A 27 MET HG3 . 34711 1 189 . 1 . 1 17 17 MET CA C 13 57.426 . . . . . . . A 27 MET CA . 34711 1 190 . 1 . 1 17 17 MET CB C 13 31.334 . . . . . . . A 27 MET CB . 34711 1 191 . 1 . 1 17 17 MET CG C 13 31.571 . . . . . . . A 27 MET CG . 34711 1 192 . 1 . 1 17 17 MET N N 15 114.653 . . . . . . . A 27 MET N . 34711 1 193 . 1 . 1 18 18 MET H H 1 8.195 . . . . . . . A 28 MET H . 34711 1 194 . 1 . 1 18 18 MET HA H 1 4.124 . . . . . . . A 28 MET HA . 34711 1 195 . 1 . 1 18 18 MET HB2 H 1 2.025 . . . . . . . A 28 MET HB2 . 34711 1 196 . 1 . 1 18 18 MET HB3 H 1 2.219 . . . . . . . A 28 MET HB3 . 34711 1 197 . 1 . 1 18 18 MET HG2 H 1 2.455 . . . . . . . A 28 MET HG2 . 34711 1 198 . 1 . 1 18 18 MET HG3 H 1 2.607 . . . . . . . A 28 MET HG3 . 34711 1 199 . 1 . 1 18 18 MET CA C 13 58.136 . . . . . . . A 28 MET CA . 34711 1 200 . 1 . 1 18 18 MET CB C 13 31.375 . . . . . . . A 28 MET CB . 34711 1 201 . 1 . 1 18 18 MET CG C 13 31.425 . . . . . . . A 28 MET CG . 34711 1 202 . 1 . 1 18 18 MET N N 15 121.439 . . . . . . . A 28 MET N . 34711 1 203 . 1 . 1 19 19 LEU H H 1 8.17 . . . . . . . A 29 LEU H . 34711 1 204 . 1 . 1 19 19 LEU HA H 1 4.063 . . . . . . . A 29 LEU HA . 34711 1 205 . 1 . 1 19 19 LEU HB2 H 1 1.553 . . . . . . . A 29 LEU HB2 . 34711 1 206 . 1 . 1 19 19 LEU HB3 H 1 1.494 . . . . . . . A 29 LEU HB3 . 34711 1 207 . 1 . 1 19 19 LEU HD11 H 1 0.928 . . . . . . . A 29 LEU HD11 . 34711 1 208 . 1 . 1 19 19 LEU HD12 H 1 0.928 . . . . . . . A 29 LEU HD12 . 34711 1 209 . 1 . 1 19 19 LEU HD13 H 1 0.928 . . . . . . . A 29 LEU HD13 . 34711 1 210 . 1 . 1 19 19 LEU HD21 H 1 0.805 . . . . . . . A 29 LEU HD21 . 34711 1 211 . 1 . 1 19 19 LEU HD22 H 1 0.805 . . . . . . . A 29 LEU HD22 . 34711 1 212 . 1 . 1 19 19 LEU HD23 H 1 0.805 . . . . . . . A 29 LEU HD23 . 34711 1 213 . 1 . 1 19 19 LEU CA C 13 57.356 . . . . . . . A 29 LEU CA . 34711 1 214 . 1 . 1 19 19 LEU CB C 13 40.753 . . . . . . . A 29 LEU CB . 34711 1 215 . 1 . 1 19 19 LEU CD1 C 13 23.827 . . . . . . . A 29 LEU CD1 . 34711 1 216 . 1 . 1 19 19 LEU CD2 C 13 22.485 . . . . . . . A 29 LEU CD2 . 34711 1 217 . 1 . 1 19 19 LEU N N 15 119.446 . . . . . . . A 29 LEU N . 34711 1 218 . 1 . 1 20 20 LEU H H 1 8.099 . . . . . . . A 30 LEU H . 34711 1 219 . 1 . 1 20 20 LEU HA H 1 4.112 . . . . . . . A 30 LEU HA . 34711 1 220 . 1 . 1 20 20 LEU HB2 H 1 1.749 . . . . . . . A 30 LEU HB2 . 34711 1 221 . 1 . 1 20 20 LEU HB3 H 1 1.962 . . . . . . . A 30 LEU HB3 . 34711 1 222 . 1 . 1 20 20 LEU HG H 1 1.739 . . . . . . . A 30 LEU HG . 34711 1 223 . 1 . 1 20 20 LEU HD11 H 1 0.918 . . . . . . . A 30 LEU HD11 . 34711 1 224 . 1 . 1 20 20 LEU HD12 H 1 0.918 . . . . . . . A 30 LEU HD12 . 34711 1 225 . 1 . 1 20 20 LEU HD13 H 1 0.918 . . . . . . . A 30 LEU HD13 . 34711 1 226 . 1 . 1 20 20 LEU HD21 H 1 0.903 . . . . . . . A 30 LEU HD21 . 34711 1 227 . 1 . 1 20 20 LEU HD22 H 1 0.903 . . . . . . . A 30 LEU HD22 . 34711 1 228 . 1 . 1 20 20 LEU HD23 H 1 0.903 . . . . . . . A 30 LEU HD23 . 34711 1 229 . 1 . 1 20 20 LEU CA C 13 58.136 . . . . . . . A 30 LEU CA . 34711 1 230 . 1 . 1 20 20 LEU CB C 13 40.852 . . . . . . . A 30 LEU CB . 34711 1 231 . 1 . 1 20 20 LEU CG C 13 26.504 . . . . . . . A 30 LEU CG . 34711 1 232 . 1 . 1 20 20 LEU CD1 C 13 22.067 . . . . . . . A 30 LEU CD1 . 34711 1 233 . 1 . 1 20 20 LEU CD2 C 13 23.595 . . . . . . . A 30 LEU CD2 . 34711 1 234 . 1 . 1 20 20 LEU N N 15 123.054 . . . . . . . A 30 LEU N . 34711 1 235 . 1 . 1 21 21 HIS H H 1 8.292 . . . . . . . A 31 HIS H . 34711 1 236 . 1 . 1 21 21 HIS HA H 1 4.201 . . . . . . . A 31 HIS HA . 34711 1 237 . 1 . 1 21 21 HIS HB2 H 1 3.234 . . . . . . . A 31 HIS HB2 . 34711 1 238 . 1 . 1 21 21 HIS HB3 H 1 3.234 . . . . . . . A 31 HIS HB3 . 34711 1 239 . 1 . 1 21 21 HIS HD2 H 1 6.786 . . . . . . . A 31 HIS HD2 . 34711 1 240 . 1 . 1 21 21 HIS CA C 13 60.156 . . . . . . . A 31 HIS CA . 34711 1 241 . 1 . 1 21 21 HIS CB C 13 29.361 . . . . . . . A 31 HIS CB . 34711 1 242 . 1 . 1 21 21 HIS CD2 C 13 119.712 . . . . . . . A 31 HIS CD2 . 34711 1 243 . 1 . 1 21 21 HIS N N 15 118.361 . . . . . . . A 31 HIS N . 34711 1 244 . 1 . 1 22 22 PHE H H 1 8.783 . . . . . . . A 32 PHE H . 34711 1 245 . 1 . 1 22 22 PHE HA H 1 4.264 . . . . . . . A 32 PHE HA . 34711 1 246 . 1 . 1 22 22 PHE HB2 H 1 3.317 . . . . . . . A 32 PHE HB2 . 34711 1 247 . 1 . 1 22 22 PHE HB3 H 1 3.295 . . . . . . . A 32 PHE HB3 . 34711 1 248 . 1 . 1 22 22 PHE HD1 H 1 7.249 . . . . . . . A 32 PHE HD1 . 34711 1 249 . 1 . 1 22 22 PHE HD2 H 1 7.249 . . . . . . . A 32 PHE HD2 . 34711 1 250 . 1 . 1 22 22 PHE CA C 13 60.577 . . . . . . . A 32 PHE CA . 34711 1 251 . 1 . 1 22 22 PHE CB C 13 38.4 . . . . . . . A 32 PHE CB . 34711 1 252 . 1 . 1 22 22 PHE CD1 C 13 130.727 . . . . . . . A 32 PHE CD1 . 34711 1 253 . 1 . 1 22 22 PHE N N 15 118.925 . . . . . . . A 32 PHE N . 34711 1 254 . 1 . 1 23 23 THR H H 1 8.365 . . . . . . . A 33 THR H . 34711 1 255 . 1 . 1 23 23 THR HA H 1 3.837 . . . . . . . A 33 THR HA . 34711 1 256 . 1 . 1 23 23 THR HB H 1 4.516 . . . . . . . A 33 THR HB . 34711 1 257 . 1 . 1 23 23 THR HG21 H 1 1.297 . . . . . . . A 33 THR HG21 . 34711 1 258 . 1 . 1 23 23 THR HG22 H 1 1.297 . . . . . . . A 33 THR HG22 . 34711 1 259 . 1 . 1 23 23 THR HG23 H 1 1.297 . . . . . . . A 33 THR HG23 . 34711 1 260 . 1 . 1 23 23 THR CA C 13 66.759 . . . . . . . A 33 THR CA . 34711 1 261 . 1 . 1 23 23 THR CB C 13 68.345 . . . . . . . A 33 THR CB . 34711 1 262 . 1 . 1 23 23 THR CG2 C 13 19.563 . . . . . . . A 33 THR CG2 . 34711 1 263 . 1 . 1 23 23 THR N N 15 115.721 . . . . . . . A 33 THR N . 34711 1 264 . 1 . 1 24 24 ILE H H 1 8.445 . . . . . . . A 34 ILE H . 34711 1 265 . 1 . 1 24 24 ILE HA H 1 3.632 . . . . . . . A 34 ILE HA . 34711 1 266 . 1 . 1 24 24 ILE HB H 1 1.966 . . . . . . . A 34 ILE HB . 34711 1 267 . 1 . 1 24 24 ILE HG12 H 1 1.781 . . . . . . . A 34 ILE HG12 . 34711 1 268 . 1 . 1 24 24 ILE HG13 H 1 1.132 . . . . . . . A 34 ILE HG13 . 34711 1 269 . 1 . 1 24 24 ILE HG21 H 1 0.895 . . . . . . . A 34 ILE HG21 . 34711 1 270 . 1 . 1 24 24 ILE HG22 H 1 0.895 . . . . . . . A 34 ILE HG22 . 34711 1 271 . 1 . 1 24 24 ILE HG23 H 1 0.895 . . . . . . . A 34 ILE HG23 . 34711 1 272 . 1 . 1 24 24 ILE HD11 H 1 0.808 . . . . . . . A 34 ILE HD11 . 34711 1 273 . 1 . 1 24 24 ILE HD12 H 1 0.808 . . . . . . . A 34 ILE HD12 . 34711 1 274 . 1 . 1 24 24 ILE HD13 H 1 0.808 . . . . . . . A 34 ILE HD13 . 34711 1 275 . 1 . 1 24 24 ILE CA C 13 64.93 . . . . . . . A 34 ILE CA . 34711 1 276 . 1 . 1 24 24 ILE CB C 13 37.185 . . . . . . . A 34 ILE CB . 34711 1 277 . 1 . 1 24 24 ILE CG1 C 13 28.3 . . . . . . . A 34 ILE CG1 . 34711 1 278 . 1 . 1 24 24 ILE CG2 C 13 16.027 . . . . . . . A 34 ILE CG2 . 34711 1 279 . 1 . 1 24 24 ILE CD1 C 13 11.541 . . . . . . . A 34 ILE CD1 . 34711 1 280 . 1 . 1 24 24 ILE N N 15 122.628 . . . . . . . A 34 ILE N . 34711 1 281 . 1 . 1 25 25 GLN H H 1 8.112 . . . . . . . A 35 GLN H . 34711 1 282 . 1 . 1 25 25 GLN HA H 1 3.942 . . . . . . . A 35 GLN HA . 34711 1 283 . 1 . 1 25 25 GLN HB2 H 1 2.109 . . . . . . . A 35 GLN HB2 . 34711 1 284 . 1 . 1 25 25 GLN HB3 H 1 2.109 . . . . . . . A 35 GLN HB3 . 34711 1 285 . 1 . 1 25 25 GLN HG2 H 1 2.327 . . . . . . . A 35 GLN HG2 . 34711 1 286 . 1 . 1 25 25 GLN HG3 H 1 2.327 . . . . . . . A 35 GLN HG3 . 34711 1 287 . 1 . 1 25 25 GLN CA C 13 58.2 . . . . . . . A 35 GLN CA . 34711 1 288 . 1 . 1 25 25 GLN CB C 13 27.507 . . . . . . . A 35 GLN CB . 34711 1 289 . 1 . 1 25 25 GLN CG C 13 32.88 . . . . . . . A 35 GLN CG . 34711 1 290 . 1 . 1 25 25 GLN N N 15 117.365 . . . . . . . A 35 GLN N . 34711 1 291 . 1 . 1 26 26 GLN H H 1 7.987 . . . . . . . A 36 GLN H . 34711 1 292 . 1 . 1 26 26 GLN HA H 1 4.002 . . . . . . . A 36 GLN HA . 34711 1 293 . 1 . 1 26 26 GLN HB2 H 1 2.069 . . . . . . . A 36 GLN HB2 . 34711 1 294 . 1 . 1 26 26 GLN HB3 H 1 2.067 . . . . . . . A 36 GLN HB3 . 34711 1 295 . 1 . 1 26 26 GLN HG2 H 1 2.165 . . . . . . . A 36 GLN HG2 . 34711 1 296 . 1 . 1 26 26 GLN HG3 H 1 2.166 . . . . . . . A 36 GLN HG3 . 34711 1 297 . 1 . 1 26 26 GLN CA C 13 57.296 . . . . . . . A 36 GLN CA . 34711 1 298 . 1 . 1 26 26 GLN CB C 13 27.582 . . . . . . . A 36 GLN CB . 34711 1 299 . 1 . 1 26 26 GLN CG C 13 32.751 . . . . . . . A 36 GLN CG . 34711 1 300 . 1 . 1 26 26 GLN N N 15 116.581 . . . . . . . A 36 GLN N . 34711 1 301 . 1 . 1 27 27 ARG H H 1 8.023 . . . . . . . A 37 ARG H . 34711 1 302 . 1 . 1 27 27 ARG HA H 1 4.135 . . . . . . . A 37 ARG HA . 34711 1 303 . 1 . 1 27 27 ARG HB2 H 1 1.968 . . . . . . . A 37 ARG HB2 . 34711 1 304 . 1 . 1 27 27 ARG HB3 H 1 1.968 . . . . . . . A 37 ARG HB3 . 34711 1 305 . 1 . 1 27 27 ARG HG2 H 1 1.733 . . . . . . . A 37 ARG HG2 . 34711 1 306 . 1 . 1 27 27 ARG HG3 H 1 1.83 . . . . . . . A 37 ARG HG3 . 34711 1 307 . 1 . 1 27 27 ARG HD2 H 1 3.155 . . . . . . . A 37 ARG HD2 . 34711 1 308 . 1 . 1 27 27 ARG HD3 H 1 3.138 . . . . . . . A 37 ARG HD3 . 34711 1 309 . 1 . 1 27 27 ARG CA C 13 57.383 . . . . . . . A 37 ARG CA . 34711 1 310 . 1 . 1 27 27 ARG CB C 13 29.134 . . . . . . . A 37 ARG CB . 34711 1 311 . 1 . 1 27 27 ARG CG C 13 26.56 . . . . . . . A 37 ARG CG . 34711 1 312 . 1 . 1 27 27 ARG CD C 13 42.373 . . . . . . . A 37 ARG CD . 34711 1 313 . 1 . 1 27 27 ARG N N 15 118.657 . . . . . . . A 37 ARG N . 34711 1 314 . 1 . 1 28 28 LYS H H 1 8.084 . . . . . . . A 38 LYS H . 34711 1 315 . 1 . 1 28 28 LYS HA H 1 4.161 . . . . . . . A 38 LYS HA . 34711 1 316 . 1 . 1 28 28 LYS HB2 H 1 1.906 . . . . . . . A 38 LYS HB2 . 34711 1 317 . 1 . 1 28 28 LYS HB3 H 1 1.903 . . . . . . . A 38 LYS HB3 . 34711 1 318 . 1 . 1 28 28 LYS HG2 H 1 1.473 . . . . . . . A 38 LYS HG2 . 34711 1 319 . 1 . 1 28 28 LYS HG3 H 1 1.567 . . . . . . . A 38 LYS HG3 . 34711 1 320 . 1 . 1 28 28 LYS HD2 H 1 1.665 . . . . . . . A 38 LYS HD2 . 34711 1 321 . 1 . 1 28 28 LYS HD3 H 1 1.662 . . . . . . . A 38 LYS HD3 . 34711 1 322 . 1 . 1 28 28 LYS HE2 H 1 2.936 . . . . . . . A 38 LYS HE2 . 34711 1 323 . 1 . 1 28 28 LYS HE3 H 1 2.935 . . . . . . . A 38 LYS HE3 . 34711 1 324 . 1 . 1 28 28 LYS CA C 13 57.153 . . . . . . . A 38 LYS CA . 34711 1 325 . 1 . 1 28 28 LYS CB C 13 32.148 . . . . . . . A 38 LYS CB . 34711 1 326 . 1 . 1 28 28 LYS CG C 13 24.222 . . . . . . . A 38 LYS CG . 34711 1 327 . 1 . 1 28 28 LYS CD C 13 28.698 . . . . . . . A 38 LYS CD . 34711 1 328 . 1 . 1 28 28 LYS CE C 13 41.427 . . . . . . . A 38 LYS CE . 34711 1 329 . 1 . 1 28 28 LYS N N 15 118.554 . . . . . . . A 38 LYS N . 34711 1 330 . 1 . 1 29 29 LYS H H 1 7.709 . . . . . . . A 39 LYS H . 34711 1 331 . 1 . 1 29 29 LYS HA H 1 4.226 . . . . . . . A 39 LYS HA . 34711 1 332 . 1 . 1 29 29 LYS HB2 H 1 1.916 . . . . . . . A 39 LYS HB2 . 34711 1 333 . 1 . 1 29 29 LYS HB3 H 1 1.913 . . . . . . . A 39 LYS HB3 . 34711 1 334 . 1 . 1 29 29 LYS HG2 H 1 1.473 . . . . . . . A 39 LYS HG2 . 34711 1 335 . 1 . 1 29 29 LYS HG3 H 1 1.567 . . . . . . . A 39 LYS HG3 . 34711 1 336 . 1 . 1 29 29 LYS HD2 H 1 1.698 . . . . . . . A 39 LYS HD2 . 34711 1 337 . 1 . 1 29 29 LYS HD3 H 1 1.698 . . . . . . . A 39 LYS HD3 . 34711 1 338 . 1 . 1 29 29 LYS HE2 H 1 2.987 . . . . . . . A 39 LYS HE2 . 34711 1 339 . 1 . 1 29 29 LYS HE3 H 1 2.987 . . . . . . . A 39 LYS HE3 . 34711 1 340 . 1 . 1 29 29 LYS CA C 13 56.03 . . . . . . . A 39 LYS CA . 34711 1 341 . 1 . 1 29 29 LYS CB C 13 32.138 . . . . . . . A 39 LYS CB . 34711 1 342 . 1 . 1 29 29 LYS CG C 13 24.222 . . . . . . . A 39 LYS CG . 34711 1 343 . 1 . 1 29 29 LYS CD C 13 28.446 . . . . . . . A 39 LYS CD . 34711 1 344 . 1 . 1 29 29 LYS CE C 13 41.668 . . . . . . . A 39 LYS CE . 34711 1 345 . 1 . 1 29 29 LYS N N 15 119.299 . . . . . . . A 39 LYS N . 34711 1 stop_ save_