################################### # 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 34650 _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' . . . 34650 1 2 '2D 1H-1H NOESY' . . . 34650 1 3 '2D 1H-13C HSQC' . . . 34650 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 ILE H H 1 8.476 0.004 . . . . . . A 21 ILE H1 . 34650 1 2 . 1 . 1 1 1 ILE HA H 1 4.595 0.024 . . . . . . A 21 ILE HA . 34650 1 3 . 1 . 1 1 1 ILE HB H 1 1.907 0.000 . . . . . . A 21 ILE HB . 34650 1 4 . 1 . 1 1 1 ILE HG21 H 1 0.965 0.004 . . . . . . A 21 ILE HG21 . 34650 1 5 . 1 . 1 1 1 ILE HG22 H 1 0.965 0.004 . . . . . . A 21 ILE HG22 . 34650 1 6 . 1 . 1 1 1 ILE HG23 H 1 0.965 0.004 . . . . . . A 21 ILE HG23 . 34650 1 7 . 1 . 1 1 1 ILE HD11 H 1 0.883 0.000 . . . . . . A 21 ILE HD11 . 34650 1 8 . 1 . 1 1 1 ILE HD12 H 1 0.883 0.000 . . . . . . A 21 ILE HD12 . 34650 1 9 . 1 . 1 1 1 ILE HD13 H 1 0.883 0.000 . . . . . . A 21 ILE HD13 . 34650 1 10 . 1 . 1 1 1 ILE CG2 C 13 13.546 0.000 . . . . . . A 21 ILE CG2 . 34650 1 11 . 1 . 1 1 1 ILE CD1 C 13 9.779 0.000 . . . . . . A 21 ILE CD1 . 34650 1 12 . 1 . 1 2 2 GLU H H 1 8.825 0.007 . . . . . . A 22 GLU H . 34650 1 13 . 1 . 1 2 2 GLU HA H 1 4.046 0.007 . . . . . . A 22 GLU HA . 34650 1 14 . 1 . 1 2 2 GLU HB2 H 1 2.038 0.014 . . . . . . A 22 GLU HB2 . 34650 1 15 . 1 . 1 2 2 GLU HB3 H 1 2.038 0.014 . . . . . . A 22 GLU HB3 . 34650 1 16 . 1 . 1 2 2 GLU HG2 H 1 2.428 0.009 . . . . . . A 22 GLU HG2 . 34650 1 17 . 1 . 1 2 2 GLU HG3 H 1 2.428 0.009 . . . . . . A 22 GLU HG3 . 34650 1 18 . 1 . 1 2 2 GLU CA C 13 56.160 0.000 . . . . . . A 22 GLU CA . 34650 1 19 . 1 . 1 2 2 GLU CB C 13 28.073 0.000 . . . . . . A 22 GLU CB . 34650 1 20 . 1 . 1 2 2 GLU CG C 13 30.824 0.000 . . . . . . A 22 GLU CG . 34650 1 21 . 1 . 1 3 3 GLU H H 1 7.637 0.008 . . . . . . A 23 GLU H . 34650 1 22 . 1 . 1 3 3 GLU HA H 1 4.163 0.012 . . . . . . A 23 GLU HA . 34650 1 23 . 1 . 1 3 3 GLU HB2 H 1 2.080 0.033 . . . . . . A 23 GLU HB2 . 34650 1 24 . 1 . 1 3 3 GLU HB3 H 1 2.080 0.033 . . . . . . A 23 GLU HB3 . 34650 1 25 . 1 . 1 3 3 GLU CA C 13 57.283 0.000 . . . . . . A 23 GLU CA . 34650 1 26 . 1 . 1 3 3 GLU CB C 13 28.042 0.000 . . . . . . A 23 GLU CB . 34650 1 27 . 1 . 1 4 4 GLN H H 1 8.727 0.007 . . . . . . A 24 GLN H . 34650 1 28 . 1 . 1 4 4 GLN HA H 1 4.254 0.009 . . . . . . A 24 GLN HA . 34650 1 29 . 1 . 1 4 4 GLN HB2 H 1 2.147 0.015 . . . . . . A 24 GLN HB2 . 34650 1 30 . 1 . 1 4 4 GLN HB3 H 1 1.994 0.013 . . . . . . A 24 GLN HB3 . 34650 1 31 . 1 . 1 4 4 GLN HG2 H 1 2.359 0.013 . . . . . . A 24 GLN HG2 . 34650 1 32 . 1 . 1 4 4 GLN HG3 H 1 2.359 0.013 . . . . . . A 24 GLN HG3 . 34650 1 33 . 1 . 1 4 4 GLN CA C 13 54.093 0.000 . . . . . . A 24 GLN CA . 34650 1 34 . 1 . 1 4 4 GLN CB C 13 26.495 0.029 . . . . . . A 24 GLN CB . 34650 1 35 . 1 . 1 4 4 GLN CG C 13 30.922 0.000 . . . . . . A 24 GLN CG . 34650 1 36 . 1 . 1 5 5 ALA H H 1 8.135 0.004 . . . . . . A 25 ALA H . 34650 1 37 . 1 . 1 5 5 ALA HA H 1 4.169 0.007 . . . . . . A 25 ALA HA . 34650 1 38 . 1 . 1 5 5 ALA HB1 H 1 1.410 0.009 . . . . . . A 25 ALA HB1 . 34650 1 39 . 1 . 1 5 5 ALA HB2 H 1 1.410 0.009 . . . . . . A 25 ALA HB2 . 34650 1 40 . 1 . 1 5 5 ALA HB3 H 1 1.410 0.009 . . . . . . A 25 ALA HB3 . 34650 1 41 . 1 . 1 5 5 ALA CA C 13 51.682 0.000 . . . . . . A 25 ALA CA . 34650 1 42 . 1 . 1 5 5 ALA CB C 13 15.575 0.000 . . . . . . A 25 ALA CB . 34650 1 43 . 1 . 1 6 6 LYS H H 1 7.844 0.014 . . . . . . A 26 LYS H . 34650 1 44 . 1 . 1 6 6 LYS HA H 1 4.064 0.013 . . . . . . A 26 LYS HA . 34650 1 45 . 1 . 1 6 6 LYS HB2 H 1 1.813 0.017 . . . . . . A 26 LYS HB2 . 34650 1 46 . 1 . 1 6 6 LYS HB3 H 1 1.813 0.017 . . . . . . A 26 LYS HB3 . 34650 1 47 . 1 . 1 6 6 LYS HG2 H 1 1.432 0.013 . . . . . . A 26 LYS HG2 . 34650 1 48 . 1 . 1 6 6 LYS HG3 H 1 1.432 0.013 . . . . . . A 26 LYS HG3 . 34650 1 49 . 1 . 1 6 6 LYS HD2 H 1 1.661 0.008 . . . . . . A 26 LYS HD2 . 34650 1 50 . 1 . 1 6 6 LYS HD3 H 1 1.661 0.008 . . . . . . A 26 LYS HD3 . 34650 1 51 . 1 . 1 6 6 LYS HE2 H 1 2.945 0.004 . . . . . . A 26 LYS HE2 . 34650 1 52 . 1 . 1 6 6 LYS HE3 H 1 2.945 0.004 . . . . . . A 26 LYS HE3 . 34650 1 53 . 1 . 1 6 6 LYS CA C 13 56.238 0.000 . . . . . . A 26 LYS CA . 34650 1 54 . 1 . 1 6 6 LYS CB C 13 29.868 0.000 . . . . . . A 26 LYS CB . 34650 1 55 . 1 . 1 6 6 LYS CG C 13 22.297 0.000 . . . . . . A 26 LYS CG . 34650 1 56 . 1 . 1 6 6 LYS CD C 13 26.409 0.000 . . . . . . A 26 LYS CD . 34650 1 57 . 1 . 1 6 6 LYS CE C 13 39.534 0.000 . . . . . . A 26 LYS CE . 34650 1 58 . 1 . 1 7 7 THR H H 1 7.637 0.022 . . . . . . A 27 THR H . 34650 1 59 . 1 . 1 7 7 THR HA H 1 4.089 0.018 . . . . . . A 27 THR HA . 34650 1 60 . 1 . 1 7 7 THR HG21 H 1 1.166 0.000 . . . . . . A 27 THR HG21 . 34650 1 61 . 1 . 1 7 7 THR HG22 H 1 1.166 0.000 . . . . . . A 27 THR HG22 . 34650 1 62 . 1 . 1 7 7 THR HG23 H 1 1.166 0.000 . . . . . . A 27 THR HG23 . 34650 1 63 . 1 . 1 7 7 THR CA C 13 61.938 0.000 . . . . . . A 27 THR CA . 34650 1 64 . 1 . 1 7 7 THR CG2 C 13 18.631 0.000 . . . . . . A 27 THR CG2 . 34650 1 65 . 1 . 1 8 8 PHE H H 1 7.585 0.006 . . . . . . A 28 PHE H . 34650 1 66 . 1 . 1 8 8 PHE HA H 1 4.232 0.005 . . . . . . A 28 PHE HA . 34650 1 67 . 1 . 1 8 8 PHE HB2 H 1 3.097 0.007 . . . . . . A 28 PHE HB2 . 34650 1 68 . 1 . 1 8 8 PHE HB3 H 1 3.097 0.007 . . . . . . A 28 PHE HB3 . 34650 1 69 . 1 . 1 8 8 PHE HD1 H 1 7.093 0.003 . . . . . . A 28 PHE HD1 . 34650 1 70 . 1 . 1 8 8 PHE HD2 H 1 7.093 0.003 . . . . . . A 28 PHE HD2 . 34650 1 71 . 1 . 1 8 8 PHE HE1 H 1 7.171 0.017 . . . . . . A 28 PHE HE1 . 34650 1 72 . 1 . 1 8 8 PHE HE2 H 1 7.171 0.017 . . . . . . A 28 PHE HE2 . 34650 1 73 . 1 . 1 8 8 PHE CA C 13 57.766 0.000 . . . . . . A 28 PHE CA . 34650 1 74 . 1 . 1 8 8 PHE CB C 13 36.158 0.000 . . . . . . A 28 PHE CB . 34650 1 75 . 1 . 1 9 9 LEU H H 1 7.991 0.004 . . . . . . A 29 LEU H . 34650 1 76 . 1 . 1 9 9 LEU HA H 1 4.043 0.006 . . . . . . A 29 LEU HA . 34650 1 77 . 1 . 1 9 9 LEU HB2 H 1 1.694 0.081 . . . . . . A 29 LEU HB2 . 34650 1 78 . 1 . 1 9 9 LEU HB3 H 1 1.694 0.081 . . . . . . A 29 LEU HB3 . 34650 1 79 . 1 . 1 9 9 LEU HG H 1 1.569 0.058 . . . . . . A 29 LEU HG . 34650 1 80 . 1 . 1 9 9 LEU HD11 H 1 0.857 0.000 . . . . . . A 29 LEU HD11 . 34650 1 81 . 1 . 1 9 9 LEU HD12 H 1 0.857 0.000 . . . . . . A 29 LEU HD12 . 34650 1 82 . 1 . 1 9 9 LEU HD13 H 1 0.857 0.000 . . . . . . A 29 LEU HD13 . 34650 1 83 . 1 . 1 9 9 LEU HD21 H 1 0.848 0.000 . . . . . . A 29 LEU HD21 . 34650 1 84 . 1 . 1 9 9 LEU HD22 H 1 0.848 0.000 . . . . . . A 29 LEU HD22 . 34650 1 85 . 1 . 1 9 9 LEU HD23 H 1 0.848 0.000 . . . . . . A 29 LEU HD23 . 34650 1 86 . 1 . 1 9 9 LEU CA C 13 54.677 0.000 . . . . . . A 29 LEU CA . 34650 1 87 . 1 . 1 9 9 LEU CB C 13 39.339 0.000 . . . . . . A 29 LEU CB . 34650 1 88 . 1 . 1 9 9 LEU CG C 13 24.450 0.000 . . . . . . A 29 LEU CG . 34650 1 89 . 1 . 1 9 9 LEU CD1 C 13 21.356 0.000 . . . . . . A 29 LEU CD1 . 34650 1 90 . 1 . 1 9 9 LEU CD2 C 13 19.679 0.000 . . . . . . A 29 LEU CD2 . 34650 1 91 . 1 . 1 10 10 ASP H H 1 8.233 0.010 . . . . . . A 30 ASP H . 34650 1 92 . 1 . 1 10 10 ASP HA H 1 4.462 0.008 . . . . . . A 30 ASP HA . 34650 1 93 . 1 . 1 10 10 ASP HB2 H 1 2.915 0.005 . . . . . . A 30 ASP HB2 . 34650 1 94 . 1 . 1 10 10 ASP HB3 H 1 2.776 0.013 . . . . . . A 30 ASP HB3 . 34650 1 95 . 1 . 1 10 10 ASP CB C 13 36.358 0.018 . . . . . . A 30 ASP CB . 34650 1 96 . 1 . 1 11 11 LYS H H 1 7.781 0.006 . . . . . . A 31 LYS H . 34650 1 97 . 1 . 1 11 11 LYS HA H 1 4.020 0.007 . . . . . . A 31 LYS HA . 34650 1 98 . 1 . 1 11 11 LYS HB2 H 1 1.805 0.020 . . . . . . A 31 LYS HB2 . 34650 1 99 . 1 . 1 11 11 LYS HB3 H 1 1.805 0.020 . . . . . . A 31 LYS HB3 . 34650 1 100 . 1 . 1 11 11 LYS HG2 H 1 1.291 0.009 . . . . . . A 31 LYS HG2 . 34650 1 101 . 1 . 1 11 11 LYS HG3 H 1 1.291 0.009 . . . . . . A 31 LYS HG3 . 34650 1 102 . 1 . 1 11 11 LYS HD2 H 1 1.562 0.013 . . . . . . A 31 LYS HD2 . 34650 1 103 . 1 . 1 11 11 LYS HD3 H 1 1.562 0.013 . . . . . . A 31 LYS HD3 . 34650 1 104 . 1 . 1 11 11 LYS HE2 H 1 2.873 0.010 . . . . . . A 31 LYS HE2 . 34650 1 105 . 1 . 1 11 11 LYS HE3 H 1 2.873 0.010 . . . . . . A 31 LYS HE3 . 34650 1 106 . 1 . 1 11 11 LYS CA C 13 56.589 0.000 . . . . . . A 31 LYS CA . 34650 1 107 . 1 . 1 11 11 LYS CB C 13 29.500 0.000 . . . . . . A 31 LYS CB . 34650 1 108 . 1 . 1 11 11 LYS CG C 13 22.123 0.000 . . . . . . A 31 LYS CG . 34650 1 109 . 1 . 1 11 11 LYS CD C 13 26.232 0.000 . . . . . . A 31 LYS CD . 34650 1 110 . 1 . 1 11 11 LYS CE C 13 39.508 0.000 . . . . . . A 31 LYS CE . 34650 1 111 . 1 . 1 12 12 PHE H H 1 8.299 0.003 . . . . . . A 32 PHE H . 34650 1 112 . 1 . 1 12 12 PHE HA H 1 4.213 0.014 . . . . . . A 32 PHE HA . 34650 1 113 . 1 . 1 12 12 PHE HB2 H 1 3.038 0.014 . . . . . . A 32 PHE HB2 . 34650 1 114 . 1 . 1 12 12 PHE HB3 H 1 2.846 0.011 . . . . . . A 32 PHE HB3 . 34650 1 115 . 1 . 1 12 12 PHE HE1 H 1 7.185 0.001 . . . . . . A 32 PHE HE1 . 34650 1 116 . 1 . 1 12 12 PHE HE2 H 1 7.185 0.001 . . . . . . A 32 PHE HE2 . 34650 1 117 . 1 . 1 12 12 PHE CA C 13 58.087 0.000 . . . . . . A 32 PHE CA . 34650 1 118 . 1 . 1 12 12 PHE CB C 13 36.468 0.018 . . . . . . A 32 PHE CB . 34650 1 119 . 1 . 1 13 13 ASN H H 1 8.432 0.005 . . . . . . A 33 ASN H . 34650 1 120 . 1 . 1 13 13 ASN HA H 1 4.412 0.007 . . . . . . A 33 ASN HA . 34650 1 121 . 1 . 1 13 13 ASN HB2 H 1 2.863 0.009 . . . . . . A 33 ASN HB2 . 34650 1 122 . 1 . 1 13 13 ASN HB3 H 1 2.746 0.006 . . . . . . A 33 ASN HB3 . 34650 1 123 . 1 . 1 13 13 ASN CB C 13 35.976 0.000 . . . . . . A 33 ASN CB . 34650 1 124 . 1 . 1 14 14 HIS H H 1 8.000 0.013 . . . . . . A 34 HIS H . 34650 1 125 . 1 . 1 14 14 HIS HA H 1 4.344 0.005 . . . . . . A 34 HIS HA . 34650 1 126 . 1 . 1 14 14 HIS HB2 H 1 3.292 0.007 . . . . . . A 34 HIS HB2 . 34650 1 127 . 1 . 1 14 14 HIS HB3 H 1 3.240 0.006 . . . . . . A 34 HIS HB3 . 34650 1 128 . 1 . 1 14 14 HIS HD1 H 1 7.128 0.000 . . . . . . A 34 HIS HD1 . 34650 1 129 . 1 . 1 14 14 HIS CB C 13 25.384 0.011 . . . . . . A 34 HIS CB . 34650 1 130 . 1 . 1 15 15 GLU H H 1 8.153 0.005 . . . . . . A 35 GLU H . 34650 1 131 . 1 . 1 15 15 GLU HA H 1 4.104 0.008 . . . . . . A 35 GLU HA . 34650 1 132 . 1 . 1 15 15 GLU HB2 H 1 2.058 0.019 . . . . . . A 35 GLU HB2 . 34650 1 133 . 1 . 1 15 15 GLU HB3 H 1 2.058 0.019 . . . . . . A 35 GLU HB3 . 34650 1 134 . 1 . 1 15 15 GLU HG2 H 1 2.429 0.003 . . . . . . A 35 GLU HG2 . 34650 1 135 . 1 . 1 15 15 GLU HG3 H 1 2.429 0.003 . . . . . . A 35 GLU HG3 . 34650 1 136 . 1 . 1 15 15 GLU CA C 13 55.358 0.000 . . . . . . A 35 GLU CA . 34650 1 137 . 1 . 1 15 15 GLU CB C 13 25.353 0.000 . . . . . . A 35 GLU CB . 34650 1 138 . 1 . 1 15 15 GLU CG C 13 30.150 0.000 . . . . . . A 35 GLU CG . 34650 1 139 . 1 . 1 16 16 ALA H H 1 8.135 0.003 . . . . . . A 36 ALA H . 34650 1 140 . 1 . 1 16 16 ALA HA H 1 3.936 0.006 . . . . . . A 36 ALA HA . 34650 1 141 . 1 . 1 16 16 ALA HB1 H 1 1.257 0.009 . . . . . . A 36 ALA HB1 . 34650 1 142 . 1 . 1 16 16 ALA HB2 H 1 1.257 0.009 . . . . . . A 36 ALA HB2 . 34650 1 143 . 1 . 1 16 16 ALA HB3 H 1 1.257 0.009 . . . . . . A 36 ALA HB3 . 34650 1 144 . 1 . 1 16 16 ALA CA C 13 52.017 0.000 . . . . . . A 36 ALA CA . 34650 1 145 . 1 . 1 16 16 ALA CB C 13 14.936 0.000 . . . . . . A 36 ALA CB . 34650 1 146 . 1 . 1 17 17 GLU H H 1 7.803 0.005 . . . . . . A 37 GLU H . 34650 1 147 . 1 . 1 17 17 GLU HA H 1 4.037 0.004 . . . . . . A 37 GLU HA . 34650 1 148 . 1 . 1 17 17 GLU HB2 H 1 2.082 0.007 . . . . . . A 37 GLU HB2 . 34650 1 149 . 1 . 1 17 17 GLU HB3 H 1 2.082 0.007 . . . . . . A 37 GLU HB3 . 34650 1 150 . 1 . 1 17 17 GLU HG2 H 1 2.507 0.029 . . . . . . A 37 GLU HG2 . 34650 1 151 . 1 . 1 17 17 GLU HG3 H 1 2.507 0.029 . . . . . . A 37 GLU HG3 . 34650 1 152 . 1 . 1 17 17 GLU CA C 13 55.422 0.000 . . . . . . A 37 GLU CA . 34650 1 153 . 1 . 1 17 17 GLU CB C 13 25.277 0.000 . . . . . . A 37 GLU CB . 34650 1 154 . 1 . 1 17 17 GLU CG C 13 30.347 0.000 . . . . . . A 37 GLU CG . 34650 1 155 . 1 . 1 18 18 ASP H H 1 7.826 0.004 . . . . . . A 38 ASP H . 34650 1 156 . 1 . 1 18 18 ASP HA H 1 4.503 0.007 . . . . . . A 38 ASP HA . 34650 1 157 . 1 . 1 18 18 ASP HB2 H 1 2.860 0.011 . . . . . . A 38 ASP HB2 . 34650 1 158 . 1 . 1 18 18 ASP HB3 H 1 2.860 0.011 . . . . . . A 38 ASP HB3 . 34650 1 159 . 1 . 1 18 18 ASP CB C 13 35.213 0.000 . . . . . . A 38 ASP CB . 34650 1 160 . 1 . 1 19 19 LEU H H 1 7.774 0.011 . . . . . . A 39 LEU H . 34650 1 161 . 1 . 1 19 19 LEU HA H 1 4.062 0.009 . . . . . . A 39 LEU HA . 34650 1 162 . 1 . 1 19 19 LEU HB2 H 1 1.451 0.091 . . . . . . A 39 LEU HB2 . 34650 1 163 . 1 . 1 19 19 LEU HB3 H 1 1.451 0.091 . . . . . . A 39 LEU HB3 . 34650 1 164 . 1 . 1 19 19 LEU HG H 1 1.277 0.088 . . . . . . A 39 LEU HG . 34650 1 165 . 1 . 1 19 19 LEU HD11 H 1 0.757 0.004 . . . . . . A 39 LEU HD11 . 34650 1 166 . 1 . 1 19 19 LEU HD12 H 1 0.757 0.004 . . . . . . A 39 LEU HD12 . 34650 1 167 . 1 . 1 19 19 LEU HD13 H 1 0.757 0.004 . . . . . . A 39 LEU HD13 . 34650 1 168 . 1 . 1 19 19 LEU HD21 H 1 0.692 0.004 . . . . . . A 39 LEU HD21 . 34650 1 169 . 1 . 1 19 19 LEU HD22 H 1 0.692 0.004 . . . . . . A 39 LEU HD22 . 34650 1 170 . 1 . 1 19 19 LEU HD23 H 1 0.692 0.004 . . . . . . A 39 LEU HD23 . 34650 1 171 . 1 . 1 19 19 LEU CA C 13 54.284 0.000 . . . . . . A 39 LEU CA . 34650 1 172 . 1 . 1 19 19 LEU CB C 13 39.448 0.000 . . . . . . A 39 LEU CB . 34650 1 173 . 1 . 1 19 19 LEU CG C 13 24.116 0.000 . . . . . . A 39 LEU CG . 34650 1 174 . 1 . 1 19 19 LEU CD1 C 13 21.244 0.000 . . . . . . A 39 LEU CD1 . 34650 1 175 . 1 . 1 19 19 LEU CD2 C 13 19.859 0.000 . . . . . . A 39 LEU CD2 . 34650 1 176 . 1 . 1 20 20 PHE H H 1 7.724 0.009 . . . . . . A 40 PHE H . 34650 1 177 . 1 . 1 20 20 PHE HA H 1 4.384 0.005 . . . . . . A 40 PHE HA . 34650 1 178 . 1 . 1 20 20 PHE HB2 H 1 2.983 0.019 . . . . . . A 40 PHE HB2 . 34650 1 179 . 1 . 1 20 20 PHE HB3 H 1 2.863 0.019 . . . . . . A 40 PHE HB3 . 34650 1 180 . 1 . 1 20 20 PHE HD1 H 1 6.973 0.000 . . . . . . A 40 PHE HD1 . 34650 1 181 . 1 . 1 20 20 PHE HD2 H 1 6.973 0.000 . . . . . . A 40 PHE HD2 . 34650 1 182 . 1 . 1 20 20 PHE HE1 H 1 7.133 0.000 . . . . . . A 40 PHE HE1 . 34650 1 183 . 1 . 1 20 20 PHE HE2 H 1 7.133 0.000 . . . . . . A 40 PHE HE2 . 34650 1 184 . 1 . 1 20 20 PHE CB C 13 36.049 0.000 . . . . . . A 40 PHE CB . 34650 1 185 . 1 . 1 21 21 TYR H H 1 7.641 0.005 . . . . . . A 41 TYR H . 34650 1 186 . 1 . 1 21 21 TYR HA H 1 4.485 0.008 . . . . . . A 41 TYR HA . 34650 1 187 . 1 . 1 21 21 TYR HB2 H 1 3.096 0.007 . . . . . . A 41 TYR HB2 . 34650 1 188 . 1 . 1 21 21 TYR HB3 H 1 2.956 0.008 . . . . . . A 41 TYR HB3 . 34650 1 189 . 1 . 1 21 21 TYR HD1 H 1 7.219 0.000 . . . . . . A 41 TYR HD1 . 34650 1 190 . 1 . 1 21 21 TYR HD2 H 1 7.219 0.000 . . . . . . A 41 TYR HD2 . 34650 1 191 . 1 . 1 21 21 TYR HE1 H 1 6.989 0.000 . . . . . . A 41 TYR HE1 . 34650 1 192 . 1 . 1 21 21 TYR HE2 H 1 6.989 0.000 . . . . . . A 41 TYR HE2 . 34650 1 193 . 1 . 1 21 21 TYR CB C 13 36.322 0.018 . . . . . . A 41 TYR CB . 34650 1 194 . 1 . 1 22 22 GLN H H 1 7.627 0.007 . . . . . . A 42 GLN H . 34650 1 195 . 1 . 1 22 22 GLN HA H 1 4.266 0.003 . . . . . . A 42 GLN HA . 34650 1 196 . 1 . 1 22 22 GLN HB2 H 1 1.988 0.015 . . . . . . A 42 GLN HB2 . 34650 1 197 . 1 . 1 22 22 GLN HB3 H 1 1.988 0.015 . . . . . . A 42 GLN HB3 . 34650 1 198 . 1 . 1 22 22 GLN HG2 H 1 2.296 0.010 . . . . . . A 42 GLN HG2 . 34650 1 199 . 1 . 1 22 22 GLN HG3 H 1 2.296 0.010 . . . . . . A 42 GLN HG3 . 34650 1 200 . 1 . 1 22 22 GLN CA C 13 52.492 0.000 . . . . . . A 42 GLN CA . 34650 1 201 . 1 . 1 22 22 GLN CB C 13 26.705 0.000 . . . . . . A 42 GLN CB . 34650 1 202 . 1 . 1 22 22 GLN CG C 13 30.987 0.000 . . . . . . A 42 GLN CG . 34650 1 stop_ save_