################################### # 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 50767 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chem-shifts.pepG1 _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' . . . 50767 1 2 '2D 1H-1H NOESY' . . . 50767 1 3 '2D 1H-1H NOESY' . . . 50767 1 4 '2D 1H-1H NOESY' . . . 50767 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50767 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 MET HA H 1 4.098 . . . . . . . . 1 MET HA . 50767 1 2 . 1 . 1 1 1 MET HB2 H 1 2.127 . . . . . . . . 1 MET HB2 . 50767 1 3 . 1 . 1 1 1 MET HB3 H 1 2.127 . . . . . . . . 1 MET HB3 . 50767 1 4 . 1 . 1 1 1 MET HG2 H 1 2.538 . . . . . . . . 1 MET HG2 . 50767 1 5 . 1 . 1 1 1 MET HG3 H 1 2.538 . . . . . . . . 1 MET HG3 . 50767 1 6 . 1 . 1 2 2 ILE H H 1 8.628 . . . . . . . . 2 ILE H . 50767 1 7 . 1 . 1 2 2 ILE HA H 1 4.269 . . . . . . . . 2 ILE HA . 50767 1 8 . 1 . 1 2 2 ILE HB H 1 1.834 . . . . . . . . 2 ILE HB . 50767 1 9 . 1 . 1 2 2 ILE HG12 H 1 1.535 . . . . . . . . 2 ILE HG12 . 50767 1 10 . 1 . 1 2 2 ILE HG13 H 1 1.175 . . . . . . . . 2 ILE HG13 . 50767 1 11 . 1 . 1 2 2 ILE HG21 H 1 0.895 . . . . . . . . 2 ILE HG21 . 50767 1 12 . 1 . 1 2 2 ILE HG22 H 1 0.895 . . . . . . . . 2 ILE HG22 . 50767 1 13 . 1 . 1 2 2 ILE HG23 H 1 0.895 . . . . . . . . 2 ILE HG23 . 50767 1 14 . 1 . 1 2 2 ILE HD11 H 1 0.831 . . . . . . . . 2 ILE HD11 . 50767 1 15 . 1 . 1 2 2 ILE HD12 H 1 0.831 . . . . . . . . 2 ILE HD12 . 50767 1 16 . 1 . 1 2 2 ILE HD13 H 1 0.831 . . . . . . . . 2 ILE HD13 . 50767 1 17 . 1 . 1 3 3 THR H H 1 8.079 . . . . . . . . 3 THR H . 50767 1 18 . 1 . 1 3 3 THR HA H 1 4.597 . . . . . . . . 3 THR HA . 50767 1 19 . 1 . 1 3 3 THR HB H 1 4.536 . . . . . . . . 3 THR HB . 50767 1 20 . 1 . 1 3 3 THR HG21 H 1 1.231 . . . . . . . . 3 THR HG21 . 50767 1 21 . 1 . 1 3 3 THR HG22 H 1 1.231 . . . . . . . . 3 THR HG22 . 50767 1 22 . 1 . 1 3 3 THR HG23 H 1 1.231 . . . . . . . . 3 THR HG23 . 50767 1 23 . 1 . 1 4 4 ILE H H 1 8.815 . . . . . . . . 4 ILE H . 50767 1 24 . 1 . 1 4 4 ILE HA H 1 3.976 . . . . . . . . 4 ILE HA . 50767 1 25 . 1 . 1 4 4 ILE HB H 1 1.934 . . . . . . . . 4 ILE HB . 50767 1 26 . 1 . 1 4 4 ILE HG12 H 1 1.593 . . . . . . . . 4 ILE HG12 . 50767 1 27 . 1 . 1 4 4 ILE HG13 H 1 1.282 . . . . . . . . 4 ILE HG13 . 50767 1 28 . 1 . 1 4 4 ILE HG21 H 1 0.949 . . . . . . . . 4 ILE HG21 . 50767 1 29 . 1 . 1 4 4 ILE HG22 H 1 0.949 . . . . . . . . 4 ILE HG22 . 50767 1 30 . 1 . 1 4 4 ILE HG23 H 1 0.949 . . . . . . . . 4 ILE HG23 . 50767 1 31 . 1 . 1 4 4 ILE HD11 H 1 0.896 . . . . . . . . 4 ILE HD11 . 50767 1 32 . 1 . 1 4 4 ILE HD12 H 1 0.896 . . . . . . . . 4 ILE HD12 . 50767 1 33 . 1 . 1 4 4 ILE HD13 H 1 0.896 . . . . . . . . 4 ILE HD13 . 50767 1 34 . 1 . 1 5 5 SER H H 1 8.097 . . . . . . . . 5 SER H . 50767 1 35 . 1 . 1 5 5 SER HA H 1 4.166 . . . . . . . . 5 SER HA . 50767 1 36 . 1 . 1 5 5 SER HB2 H 1 3.900 . . . . . . . . 5 SER HB2 . 50767 1 37 . 1 . 1 5 5 SER HB3 H 1 3.858 . . . . . . . . 5 SER HB3 . 50767 1 38 . 1 . 1 6 6 THR H H 1 7.801 . . . . . . . . 6 THR H . 50767 1 39 . 1 . 1 6 6 THR HA H 1 4.266 . . . . . . . . 6 THR HA . 50767 1 40 . 1 . 1 6 6 THR HB H 1 4.050 . . . . . . . . 6 THR HB . 50767 1 41 . 1 . 1 6 6 THR HG21 H 1 1.238 . . . . . . . . 6 THR HG21 . 50767 1 42 . 1 . 1 6 6 THR HG22 H 1 1.238 . . . . . . . . 6 THR HG22 . 50767 1 43 . 1 . 1 6 6 THR HG23 H 1 1.238 . . . . . . . . 6 THR HG23 . 50767 1 44 . 1 . 1 7 7 MET H H 1 8.075 . . . . . . . . 7 MET H . 50767 1 45 . 1 . 1 7 7 MET HA H 1 4.247 . . . . . . . . 7 MET HA . 50767 1 46 . 1 . 1 7 7 MET HB2 H 1 2.143 . . . . . . . . 7 MET HB2 . 50767 1 47 . 1 . 1 7 7 MET HB3 H 1 2.230 . . . . . . . . 7 MET HB3 . 50767 1 48 . 1 . 1 7 7 MET HG2 H 1 2.648 . . . . . . . . 7 MET HG2 . 50767 1 49 . 1 . 1 7 7 MET HG3 H 1 2.506 . . . . . . . . 7 MET HG3 . 50767 1 50 . 1 . 1 7 7 MET HE1 H 1 2.012 . . . . . . . . 7 MET HE1 . 50767 1 51 . 1 . 1 7 7 MET HE2 H 1 2.012 . . . . . . . . 7 MET HE2 . 50767 1 52 . 1 . 1 7 7 MET HE3 H 1 2.012 . . . . . . . . 7 MET HE3 . 50767 1 53 . 1 . 1 8 8 LEU H H 1 8.350 . . . . . . . . 8 LEU H . 50767 1 54 . 1 . 1 8 8 LEU HA H 1 4.160 . . . . . . . . 8 LEU HA . 50767 1 55 . 1 . 1 8 8 LEU HB2 H 1 1.860 . . . . . . . . 8 LEU HB2 . 50767 1 56 . 1 . 1 8 8 LEU HB3 H 1 1.803 . . . . . . . . 8 LEU HB3 . 50767 1 57 . 1 . 1 8 8 LEU HG H 1 1.610 . . . . . . . . 8 LEU HG . 50767 1 58 . 1 . 1 8 8 LEU HD11 H 1 0.897 . . . . . . . . 8 LEU HD11 . 50767 1 59 . 1 . 1 8 8 LEU HD12 H 1 0.897 . . . . . . . . 8 LEU HD12 . 50767 1 60 . 1 . 1 8 8 LEU HD13 H 1 0.897 . . . . . . . . 8 LEU HD13 . 50767 1 61 . 1 . 1 8 8 LEU HD21 H 1 0.897 . . . . . . . . 8 LEU HD21 . 50767 1 62 . 1 . 1 8 8 LEU HD22 H 1 0.897 . . . . . . . . 8 LEU HD22 . 50767 1 63 . 1 . 1 8 8 LEU HD23 H 1 0.897 . . . . . . . . 8 LEU HD23 . 50767 1 64 . 1 . 1 9 9 GLN H H 1 8.179 . . . . . . . . 9 GLN H . 50767 1 65 . 1 . 1 9 9 GLN HA H 1 3.933 . . . . . . . . 9 GLN HA . 50767 1 66 . 1 . 1 9 9 GLN HB2 H 1 2.148 . . . . . . . . 9 GLN HB2 . 50767 1 67 . 1 . 1 9 9 GLN HB3 H 1 2.253 . . . . . . . . 9 GLN HB3 . 50767 1 68 . 1 . 1 9 9 GLN HG2 H 1 2.496 . . . . . . . . 9 GLN HG2 . 50767 1 69 . 1 . 1 9 9 GLN HG3 H 1 2.496 . . . . . . . . 9 GLN HG3 . 50767 1 70 . 1 . 1 9 9 GLN HE21 H 1 7.345 . . . . . . . . 9 GLN HE21 . 50767 1 71 . 1 . 1 9 9 GLN HE22 H 1 6.690 . . . . . . . . 9 GLN HE22 . 50767 1 72 . 1 . 1 10 10 PHE H H 1 8.432 . . . . . . . . 10 PHE H . 50767 1 73 . 1 . 1 10 10 PHE HA H 1 4.384 . . . . . . . . 10 PHE HA . 50767 1 74 . 1 . 1 10 10 PHE HB2 H 1 3.212 . . . . . . . . 10 PHE HB2 . 50767 1 75 . 1 . 1 10 10 PHE HB3 H 1 3.269 . . . . . . . . 10 PHE HB3 . 50767 1 76 . 1 . 1 10 10 PHE HD1 H 1 7.211 . . . . . . . . 10 PHE HD1 . 50767 1 77 . 1 . 1 10 10 PHE HD2 H 1 7.211 . . . . . . . . 10 PHE HD2 . 50767 1 78 . 1 . 1 10 10 PHE HE1 H 1 7.188 . . . . . . . . 10 PHE HE1 . 50767 1 79 . 1 . 1 10 10 PHE HE2 H 1 7.188 . . . . . . . . 10 PHE HE2 . 50767 1 80 . 1 . 1 10 10 PHE HZ H 1 7.167 . . . . . . . . 10 PHE HZ . 50767 1 81 . 1 . 1 11 11 GLY H H 1 8.475 . . . . . . . . 11 GLY H . 50767 1 82 . 1 . 1 11 11 GLY HA2 H 1 3.872 . . . . . . . . 11 GLY HA2 . 50767 1 83 . 1 . 1 11 11 GLY HA3 H 1 3.661 . . . . . . . . 11 GLY HA3 . 50767 1 84 . 1 . 1 12 12 LEU H H 1 8.210 . . . . . . . . 12 LEU H . 50767 1 85 . 1 . 1 12 12 LEU HA H 1 4.056 . . . . . . . . 12 LEU HA . 50767 1 86 . 1 . 1 12 12 LEU HB2 H 1 1.926 . . . . . . . . 12 LEU HB2 . 50767 1 87 . 1 . 1 12 12 LEU HB3 H 1 1.860 . . . . . . . . 12 LEU HB3 . 50767 1 88 . 1 . 1 12 12 LEU HG H 1 1.518 . . . . . . . . 12 LEU HG . 50767 1 89 . 1 . 1 12 12 LEU HD11 H 1 0.858 . . . . . . . . 12 LEU HD11 . 50767 1 90 . 1 . 1 12 12 LEU HD12 H 1 0.858 . . . . . . . . 12 LEU HD12 . 50767 1 91 . 1 . 1 12 12 LEU HD13 H 1 0.858 . . . . . . . . 12 LEU HD13 . 50767 1 92 . 1 . 1 12 12 LEU HD21 H 1 0.849 . . . . . . . . 12 LEU HD21 . 50767 1 93 . 1 . 1 12 12 LEU HD22 H 1 0.849 . . . . . . . . 12 LEU HD22 . 50767 1 94 . 1 . 1 12 12 LEU HD23 H 1 0.849 . . . . . . . . 12 LEU HD23 . 50767 1 95 . 1 . 1 13 13 PHE H H 1 8.028 . . . . . . . . 13 PHE H . 50767 1 96 . 1 . 1 13 13 PHE HA H 1 4.169 . . . . . . . . 13 PHE HA . 50767 1 97 . 1 . 1 13 13 PHE HB2 H 1 3.293 . . . . . . . . 13 PHE HB2 . 50767 1 98 . 1 . 1 13 13 PHE HB3 H 1 3.210 . . . . . . . . 13 PHE HB3 . 50767 1 99 . 1 . 1 13 13 PHE HD1 H 1 7.072 . . . . . . . . 13 PHE HD1 . 50767 1 100 . 1 . 1 13 13 PHE HD2 H 1 7.072 . . . . . . . . 13 PHE HD2 . 50767 1 101 . 1 . 1 13 13 PHE HE1 H 1 7.151 . . . . . . . . 13 PHE HE1 . 50767 1 102 . 1 . 1 13 13 PHE HE2 H 1 7.151 . . . . . . . . 13 PHE HE2 . 50767 1 103 . 1 . 1 13 13 PHE HZ H 1 7.125 . . . . . . . . 13 PHE HZ . 50767 1 104 . 1 . 1 14 14 LEU H H 1 8.198 . . . . . . . . 14 LEU H . 50767 1 105 . 1 . 1 14 14 LEU HA H 1 3.689 . . . . . . . . 14 LEU HA . 50767 1 106 . 1 . 1 14 14 LEU HB2 H 1 1.712 . . . . . . . . 14 LEU HB2 . 50767 1 107 . 1 . 1 14 14 LEU HB3 H 1 1.560 . . . . . . . . 14 LEU HB3 . 50767 1 108 . 1 . 1 14 14 LEU HG H 1 1.410 . . . . . . . . 14 LEU HG . 50767 1 109 . 1 . 1 14 14 LEU HD11 H 1 0.756 . . . . . . . . 14 LEU HD11 . 50767 1 110 . 1 . 1 14 14 LEU HD12 H 1 0.756 . . . . . . . . 14 LEU HD12 . 50767 1 111 . 1 . 1 14 14 LEU HD13 H 1 0.756 . . . . . . . . 14 LEU HD13 . 50767 1 112 . 1 . 1 14 14 LEU HD21 H 1 0.756 . . . . . . . . 14 LEU HD21 . 50767 1 113 . 1 . 1 14 14 LEU HD22 H 1 0.756 . . . . . . . . 14 LEU HD22 . 50767 1 114 . 1 . 1 14 14 LEU HD23 H 1 0.756 . . . . . . . . 14 LEU HD23 . 50767 1 115 . 1 . 1 15 15 ILE H H 1 8.011 . . . . . . . . 15 ILE H . 50767 1 116 . 1 . 1 15 15 ILE HA H 1 3.561 . . . . . . . . 15 ILE HA . 50767 1 117 . 1 . 1 15 15 ILE HB H 1 1.955 . . . . . . . . 15 ILE HB . 50767 1 118 . 1 . 1 15 15 ILE HG12 H 1 1.137 . . . . . . . . 15 ILE HG12 . 50767 1 119 . 1 . 1 15 15 ILE HG13 H 1 1.755 . . . . . . . . 15 ILE HG13 . 50767 1 120 . 1 . 1 15 15 ILE HG21 H 1 0.886 . . . . . . . . 15 ILE HG21 . 50767 1 121 . 1 . 1 15 15 ILE HG22 H 1 0.886 . . . . . . . . 15 ILE HG22 . 50767 1 122 . 1 . 1 15 15 ILE HG23 H 1 0.886 . . . . . . . . 15 ILE HG23 . 50767 1 123 . 1 . 1 15 15 ILE HD11 H 1 0.803 . . . . . . . . 15 ILE HD11 . 50767 1 124 . 1 . 1 15 15 ILE HD12 H 1 0.803 . . . . . . . . 15 ILE HD12 . 50767 1 125 . 1 . 1 15 15 ILE HD13 H 1 0.803 . . . . . . . . 15 ILE HD13 . 50767 1 126 . 1 . 1 16 16 ALA H H 1 8.014 . . . . . . . . 16 ALA H . 50767 1 127 . 1 . 1 16 16 ALA HA H 1 4.019 . . . . . . . . 16 ALA HA . 50767 1 128 . 1 . 1 16 16 ALA HB1 H 1 1.441 . . . . . . . . 16 ALA HB1 . 50767 1 129 . 1 . 1 16 16 ALA HB2 H 1 1.441 . . . . . . . . 16 ALA HB2 . 50767 1 130 . 1 . 1 16 16 ALA HB3 H 1 1.441 . . . . . . . . 16 ALA HB3 . 50767 1 131 . 1 . 1 17 17 LEU H H 1 8.317 . . . . . . . . 17 LEU H . 50767 1 132 . 1 . 1 17 17 LEU HA H 1 3.856 . . . . . . . . 17 LEU HA . 50767 1 133 . 1 . 1 17 17 LEU HB2 H 1 1.406 . . . . . . . . 17 LEU HB2 . 50767 1 134 . 1 . 1 17 17 LEU HB3 H 1 1.568 . . . . . . . . 17 LEU HB3 . 50767 1 135 . 1 . 1 17 17 LEU HG H 1 1.283 . . . . . . . . 17 LEU HG . 50767 1 136 . 1 . 1 17 17 LEU HD11 H 1 0.718 . . . . . . . . 17 LEU HD11 . 50767 1 137 . 1 . 1 17 17 LEU HD12 H 1 0.718 . . . . . . . . 17 LEU HD12 . 50767 1 138 . 1 . 1 17 17 LEU HD13 H 1 0.718 . . . . . . . . 17 LEU HD13 . 50767 1 139 . 1 . 1 17 17 LEU HD21 H 1 0.718 . . . . . . . . 17 LEU HD21 . 50767 1 140 . 1 . 1 17 17 LEU HD22 H 1 0.718 . . . . . . . . 17 LEU HD22 . 50767 1 141 . 1 . 1 17 17 LEU HD23 H 1 0.718 . . . . . . . . 17 LEU HD23 . 50767 1 142 . 1 . 1 18 18 ILE H H 1 8.455 . . . . . . . . 18 ILE H . 50767 1 143 . 1 . 1 18 18 ILE HA H 1 3.486 . . . . . . . . 18 ILE HA . 50767 1 144 . 1 . 1 18 18 ILE HB H 1 1.899 . . . . . . . . 18 ILE HB . 50767 1 145 . 1 . 1 18 18 ILE HG13 H 1 1.771 . . . . . . . . 18 ILE HG13 . 50767 1 146 . 1 . 1 18 18 ILE HG21 H 1 0.841 . . . . . . . . 18 ILE HG21 . 50767 1 147 . 1 . 1 18 18 ILE HG22 H 1 0.841 . . . . . . . . 18 ILE HG22 . 50767 1 148 . 1 . 1 18 18 ILE HG23 H 1 0.841 . . . . . . . . 18 ILE HG23 . 50767 1 149 . 1 . 1 18 18 ILE HD11 H 1 0.755 . . . . . . . . 18 ILE HD11 . 50767 1 150 . 1 . 1 18 18 ILE HD12 H 1 0.755 . . . . . . . . 18 ILE HD12 . 50767 1 151 . 1 . 1 18 18 ILE HD13 H 1 0.755 . . . . . . . . 18 ILE HD13 . 50767 1 152 . 1 . 1 19 19 GLY H H 1 8.214 . . . . . . . . 19 GLY H . 50767 1 153 . 1 . 1 19 19 GLY HA2 H 1 3.646 . . . . . . . . 19 GLY HA2 . 50767 1 154 . 1 . 1 19 19 GLY HA3 H 1 3.837 . . . . . . . . 19 GLY HA3 . 50767 1 155 . 1 . 1 20 20 LEU H H 1 7.950 . . . . . . . . 20 LEU H . 50767 1 156 . 1 . 1 20 20 LEU HA H 1 4.073 . . . . . . . . 20 LEU HA . 50767 1 157 . 1 . 1 20 20 LEU HB2 H 1 2.012 . . . . . . . . 20 LEU HB2 . 50767 1 158 . 1 . 1 20 20 LEU HB3 H 1 1.690 . . . . . . . . 20 LEU HB3 . 50767 1 159 . 1 . 1 20 20 LEU HG H 1 1.283 . . . . . . . . 20 LEU HG . 50767 1 160 . 1 . 1 20 20 LEU HD11 H 1 0.893 . . . . . . . . 20 LEU HD11 . 50767 1 161 . 1 . 1 20 20 LEU HD12 H 1 0.893 . . . . . . . . 20 LEU HD12 . 50767 1 162 . 1 . 1 20 20 LEU HD13 H 1 0.893 . . . . . . . . 20 LEU HD13 . 50767 1 163 . 1 . 1 20 20 LEU HD21 H 1 0.883 . . . . . . . . 20 LEU HD21 . 50767 1 164 . 1 . 1 20 20 LEU HD22 H 1 0.883 . . . . . . . . 20 LEU HD22 . 50767 1 165 . 1 . 1 20 20 LEU HD23 H 1 0.883 . . . . . . . . 20 LEU HD23 . 50767 1 166 . 1 . 1 21 21 VAL H H 1 8.263 . . . . . . . . 21 VAL H . 50767 1 167 . 1 . 1 21 21 VAL HA H 1 3.440 . . . . . . . . 21 VAL HA . 50767 1 168 . 1 . 1 21 21 VAL HB H 1 2.248 . . . . . . . . 21 VAL HB . 50767 1 169 . 1 . 1 21 21 VAL HG11 H 1 0.904 . . . . . . . . 21 VAL HG11 . 50767 1 170 . 1 . 1 21 21 VAL HG12 H 1 0.904 . . . . . . . . 21 VAL HG12 . 50767 1 171 . 1 . 1 21 21 VAL HG13 H 1 0.904 . . . . . . . . 21 VAL HG13 . 50767 1 172 . 1 . 1 21 21 VAL HG21 H 1 1.006 . . . . . . . . 21 VAL HG21 . 50767 1 173 . 1 . 1 21 21 VAL HG22 H 1 1.006 . . . . . . . . 21 VAL HG22 . 50767 1 174 . 1 . 1 21 21 VAL HG23 H 1 1.006 . . . . . . . . 21 VAL HG23 . 50767 1 175 . 1 . 1 22 22 ILE H H 1 8.364 . . . . . . . . 22 ILE H . 50767 1 176 . 1 . 1 22 22 ILE HA H 1 3.561 . . . . . . . . 22 ILE HA . 50767 1 177 . 1 . 1 22 22 ILE HB H 1 1.957 . . . . . . . . 22 ILE HB . 50767 1 178 . 1 . 1 22 22 ILE HG12 H 1 1.781 . . . . . . . . 22 ILE HG12 . 50767 1 179 . 1 . 1 22 22 ILE HG13 H 1 1.780 . . . . . . . . 22 ILE HG13 . 50767 1 180 . 1 . 1 22 22 ILE HG21 H 1 0.848 . . . . . . . . 22 ILE HG21 . 50767 1 181 . 1 . 1 22 22 ILE HG22 H 1 0.848 . . . . . . . . 22 ILE HG22 . 50767 1 182 . 1 . 1 22 22 ILE HG23 H 1 0.848 . . . . . . . . 22 ILE HG23 . 50767 1 183 . 1 . 1 22 22 ILE HD11 H 1 0.777 . . . . . . . . 22 ILE HD11 . 50767 1 184 . 1 . 1 22 22 ILE HD12 H 1 0.777 . . . . . . . . 22 ILE HD12 . 50767 1 185 . 1 . 1 22 22 ILE HD13 H 1 0.777 . . . . . . . . 22 ILE HD13 . 50767 1 186 . 1 . 1 23 23 LYS H H 1 7.913 . . . . . . . . 23 LYS H . 50767 1 187 . 1 . 1 23 23 LYS HA H 1 3.987 . . . . . . . . 23 LYS HA . 50767 1 188 . 1 . 1 23 23 LYS HB2 H 1 2.025 . . . . . . . . 23 LYS HB2 . 50767 1 189 . 1 . 1 23 23 LYS HB3 H 1 1.883 . . . . . . . . 23 LYS HB3 . 50767 1 190 . 1 . 1 23 23 LYS HG2 H 1 1.443 . . . . . . . . 23 LYS HG2 . 50767 1 191 . 1 . 1 23 23 LYS HG3 H 1 1.443 . . . . . . . . 23 LYS HG3 . 50767 1 192 . 1 . 1 23 23 LYS HD2 H 1 1.614 . . . . . . . . 23 LYS HD2 . 50767 1 193 . 1 . 1 23 23 LYS HD3 H 1 1.680 . . . . . . . . 23 LYS HD3 . 50767 1 194 . 1 . 1 23 23 LYS HE2 H 1 2.887 . . . . . . . . 23 LYS HE2 . 50767 1 195 . 1 . 1 23 23 LYS HE3 H 1 2.887 . . . . . . . . 23 LYS HE3 . 50767 1 196 . 1 . 1 24 24 LEU H H 1 8.406 . . . . . . . . 24 LEU H . 50767 1 197 . 1 . 1 24 24 LEU HA H 1 4.005 . . . . . . . . 24 LEU HA . 50767 1 198 . 1 . 1 24 24 LEU HB2 H 1 2.026 . . . . . . . . 24 LEU HB2 . 50767 1 199 . 1 . 1 24 24 LEU HB3 H 1 1.906 . . . . . . . . 24 LEU HB3 . 50767 1 200 . 1 . 1 24 24 LEU HG H 1 1.443 . . . . . . . . 24 LEU HG . 50767 1 201 . 1 . 1 24 24 LEU HD11 H 1 0.814 . . . . . . . . 24 LEU HD11 . 50767 1 202 . 1 . 1 24 24 LEU HD12 H 1 0.814 . . . . . . . . 24 LEU HD12 . 50767 1 203 . 1 . 1 24 24 LEU HD13 H 1 0.814 . . . . . . . . 24 LEU HD13 . 50767 1 204 . 1 . 1 24 24 LEU HD21 H 1 0.814 . . . . . . . . 24 LEU HD21 . 50767 1 205 . 1 . 1 24 24 LEU HD22 H 1 0.814 . . . . . . . . 24 LEU HD22 . 50767 1 206 . 1 . 1 24 24 LEU HD23 H 1 0.814 . . . . . . . . 24 LEU HD23 . 50767 1 207 . 1 . 1 25 25 ILE H H 1 8.490 . . . . . . . . 25 ILE H . 50767 1 208 . 1 . 1 25 25 ILE HA H 1 3.594 . . . . . . . . 25 ILE HA . 50767 1 209 . 1 . 1 25 25 ILE HB H 1 2.030 . . . . . . . . 25 ILE HB . 50767 1 210 . 1 . 1 25 25 ILE HG12 H 1 1.440 . . . . . . . . 25 ILE HG12 . 50767 1 211 . 1 . 1 25 25 ILE HG21 H 1 0.848 . . . . . . . . 25 ILE HG21 . 50767 1 212 . 1 . 1 25 25 ILE HG22 H 1 0.848 . . . . . . . . 25 ILE HG22 . 50767 1 213 . 1 . 1 25 25 ILE HG23 H 1 0.848 . . . . . . . . 25 ILE HG23 . 50767 1 214 . 1 . 1 25 25 ILE HD11 H 1 0.779 . . . . . . . . 25 ILE HD11 . 50767 1 215 . 1 . 1 25 25 ILE HD12 H 1 0.779 . . . . . . . . 25 ILE HD12 . 50767 1 216 . 1 . 1 25 25 ILE HD13 H 1 0.779 . . . . . . . . 25 ILE HD13 . 50767 1 217 . 1 . 1 26 26 GLU H H 1 8.468 . . . . . . . . 26 GLU H . 50767 1 218 . 1 . 1 26 26 GLU HA H 1 4.000 . . . . . . . . 26 GLU HA . 50767 1 219 . 1 . 1 26 26 GLU HB2 H 1 2.049 . . . . . . . . 26 GLU HB2 . 50767 1 220 . 1 . 1 26 26 GLU HB3 H 1 2.681 . . . . . . . . 26 GLU HB3 . 50767 1 221 . 1 . 1 26 26 GLU HG2 H 1 2.317 . . . . . . . . 26 GLU HG2 . 50767 1 222 . 1 . 1 26 26 GLU HG3 H 1 2.317 . . . . . . . . 26 GLU HG3 . 50767 1 223 . 1 . 1 27 27 LEU H H 1 8.272 . . . . . . . . 27 LEU H . 50767 1 224 . 1 . 1 27 27 LEU HA H 1 4.130 . . . . . . . . 27 LEU HA . 50767 1 225 . 1 . 1 27 27 LEU HB2 H 1 1.861 . . . . . . . . 27 LEU HB2 . 50767 1 226 . 1 . 1 27 27 LEU HB3 H 1 1.861 . . . . . . . . 27 LEU HB3 . 50767 1 227 . 1 . 1 27 27 LEU HG H 1 1.608 . . . . . . . . 27 LEU HG . 50767 1 228 . 1 . 1 27 27 LEU HD11 H 1 0.872 . . . . . . . . 27 LEU HD11 . 50767 1 229 . 1 . 1 27 27 LEU HD12 H 1 0.872 . . . . . . . . 27 LEU HD12 . 50767 1 230 . 1 . 1 27 27 LEU HD13 H 1 0.872 . . . . . . . . 27 LEU HD13 . 50767 1 231 . 1 . 1 27 27 LEU HD21 H 1 0.872 . . . . . . . . 27 LEU HD21 . 50767 1 232 . 1 . 1 27 27 LEU HD22 H 1 0.872 . . . . . . . . 27 LEU HD22 . 50767 1 233 . 1 . 1 27 27 LEU HD23 H 1 0.872 . . . . . . . . 27 LEU HD23 . 50767 1 234 . 1 . 1 28 28 SER H H 1 8.272 . . . . . . . . 28 SER H . 50767 1 235 . 1 . 1 28 28 SER HA H 1 4.130 . . . . . . . . 28 SER HA . 50767 1 236 . 1 . 1 28 28 SER HB2 H 1 4.000 . . . . . . . . 28 SER HB2 . 50767 1 237 . 1 . 1 28 28 SER HB3 H 1 3.947 . . . . . . . . 28 SER HB3 . 50767 1 238 . 1 . 1 29 29 ASN H H 1 7.835 . . . . . . . . 29 ASN H . 50767 1 239 . 1 . 1 29 29 ASN HA H 1 4.651 . . . . . . . . 29 ASN HA . 50767 1 240 . 1 . 1 29 29 ASN HB2 H 1 2.775 . . . . . . . . 29 ASN HB2 . 50767 1 241 . 1 . 1 29 29 ASN HB3 H 1 2.851 . . . . . . . . 29 ASN HB3 . 50767 1 242 . 1 . 1 29 29 ASN HD21 H 1 7.613 . . . . . . . . 29 ASN HD21 . 50767 1 243 . 1 . 1 29 29 ASN HD22 H 1 6.830 . . . . . . . . 29 ASN HD22 . 50767 1 244 . 1 . 1 30 30 LYS H H 1 7.967 . . . . . . . . 30 LYS H . 50767 1 245 . 1 . 1 30 30 LYS HA H 1 4.254 . . . . . . . . 30 LYS HA . 50767 1 246 . 1 . 1 30 30 LYS HB2 H 1 1.911 . . . . . . . . 30 LYS HB2 . 50767 1 247 . 1 . 1 30 30 LYS HB3 H 1 1.838 . . . . . . . . 30 LYS HB3 . 50767 1 248 . 1 . 1 30 30 LYS HG2 H 1 1.482 . . . . . . . . 30 LYS HG2 . 50767 1 249 . 1 . 1 30 30 LYS HG3 H 1 1.457 . . . . . . . . 30 LYS HG3 . 50767 1 250 . 1 . 1 30 30 LYS HD2 H 1 1.614 . . . . . . . . 30 LYS HD2 . 50767 1 251 . 1 . 1 30 30 LYS HD3 H 1 1.680 . . . . . . . . 30 LYS HD3 . 50767 1 252 . 1 . 1 30 30 LYS HE2 H 1 2.976 . . . . . . . . 30 LYS HE2 . 50767 1 253 . 1 . 1 30 30 LYS HE3 H 1 2.976 . . . . . . . . 30 LYS HE3 . 50767 1 254 . 1 . 1 30 30 LYS HZ1 H 1 7.018 . . . . . . . . 30 LYS HZ1 . 50767 1 255 . 1 . 1 30 30 LYS HZ2 H 1 7.018 . . . . . . . . 30 LYS HZ2 . 50767 1 256 . 1 . 1 30 30 LYS HZ3 H 1 7.018 . . . . . . . . 30 LYS HZ3 . 50767 1 257 . 1 . 1 31 31 LYS H H 1 7.992 . . . . . . . . 31 LYS H . 50767 1 258 . 1 . 1 31 31 LYS HA H 1 4.257 . . . . . . . . 31 LYS HA . 50767 1 259 . 1 . 1 31 31 LYS HB2 H 1 1.845 . . . . . . . . 31 LYS HB2 . 50767 1 260 . 1 . 1 31 31 LYS HB3 H 1 1.779 . . . . . . . . 31 LYS HB3 . 50767 1 261 . 1 . 1 31 31 LYS HG2 H 1 1.474 . . . . . . . . 31 LYS HG2 . 50767 1 262 . 1 . 1 31 31 LYS HG3 H 1 1.453 . . . . . . . . 31 LYS HG3 . 50767 1 263 . 1 . 1 31 31 LYS HD2 H 1 1.672 . . . . . . . . 31 LYS HD2 . 50767 1 264 . 1 . 1 31 31 LYS HD3 H 1 1.672 . . . . . . . . 31 LYS HD3 . 50767 1 265 . 1 . 1 31 31 LYS HE2 H 1 2.976 . . . . . . . . 31 LYS HE2 . 50767 1 266 . 1 . 1 31 31 LYS HE3 H 1 2.976 . . . . . . . . 31 LYS HE3 . 50767 1 267 . 1 . 1 31 31 LYS HZ1 H 1 7.441 . . . . . . . . 31 LYS HZ1 . 50767 1 268 . 1 . 1 31 31 LYS HZ2 H 1 7.441 . . . . . . . . 31 LYS HZ2 . 50767 1 269 . 1 . 1 31 31 LYS HZ3 H 1 7.441 . . . . . . . . 31 LYS HZ3 . 50767 1 stop_ save_