################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19070 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 19070 1 2 '2D 1H-1H NOESY' . . . 19070 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 HIS H H 1 8.463 0.000 . 1 . . . X 1 HIS H1 . 19070 1 2 . 1 1 1 1 HIS HB2 H 1 3.079 0.004 . 2 . . . X 1 HIS HB2 . 19070 1 3 . 1 1 1 1 HIS HB3 H 1 3.353 0.003 . 2 . . . X 1 HIS HB3 . 19070 1 4 . 1 1 1 1 HIS HD2 H 1 7.412 0.003 . 1 . . . X 1 HIS HD2 . 19070 1 5 . 1 1 1 1 HIS HE1 H 1 8.648 0.003 . 1 . . . X 1 HIS HE1 . 19070 1 6 . 1 1 2 2 AIB HB11 H 1 1.388 0.012 . 1 . . . . 2 AIB HB2 . 19070 1 7 . 1 1 2 2 AIB HB12 H 1 1.388 0.012 . 1 . . . . 2 AIB HB2 . 19070 1 8 . 1 1 2 2 AIB HB13 H 1 1.388 0.012 . 1 . . . . 2 AIB HB2 . 19070 1 9 . 1 1 2 2 AIB HB21 H 1 1.441 0.007 . 1 . . . . 2 AIB HB3 . 19070 1 10 . 1 1 2 2 AIB HB22 H 1 1.441 0.007 . 1 . . . . 2 AIB HB3 . 19070 1 11 . 1 1 2 2 AIB HB23 H 1 1.441 0.007 . 1 . . . . 2 AIB HB3 . 19070 1 12 . 1 1 2 2 AIB H H 1 8.916 0.001 . 1 . . . . 2 AIB HN . 19070 1 13 . 1 1 3 3 GLN H H 1 8.219 0.005 . 1 . . . X 3 GLN H . 19070 1 14 . 1 1 3 3 GLN HA H 1 4.343 0.004 . 1 . . . X 3 GLN HA . 19070 1 15 . 1 1 3 3 GLN HB2 H 1 2.023 0.006 . 2 . . . X 3 GLN HB2 . 19070 1 16 . 1 1 3 3 GLN HB3 H 1 2.134 0.024 . 2 . . . X 3 GLN HB3 . 19070 1 17 . 1 1 3 3 GLN HG2 H 1 2.314 0.016 . 2 . . . X 3 GLN HG2 . 19070 1 18 . 1 1 3 3 GLN HG3 H 1 2.385 0.004 . 2 . . . X 3 GLN HG3 . 19070 1 19 . 1 1 3 3 GLN HE22 H 1 7.534 0.000 . 1 . . . X 3 GLN HE22 . 19070 1 20 . 1 1 4 4 GLY H H 1 8.378 0.005 . 1 . . . X 4 GLY H . 19070 1 21 . 1 1 4 4 GLY HA2 H 1 3.901 0.013 . 2 . . . X 4 GLY HA2 . 19070 1 22 . 1 1 4 4 GLY HA3 H 1 3.974 0.003 . 2 . . . X 4 GLY HA3 . 19070 1 23 . 1 1 5 5 THR H H 1 8.000 0.003 . 1 . . . X 5 THR H . 19070 1 24 . 1 1 5 5 THR HA H 1 4.291 0.003 . 1 . . . X 5 THR HA . 19070 1 25 . 1 1 5 5 THR HB H 1 4.111 0.004 . 1 . . . X 5 THR HB . 19070 1 26 . 1 1 5 5 THR HG21 H 1 1.086 0.006 . 1 . . . X 5 THR HG21 . 19070 1 27 . 1 1 5 5 THR HG22 H 1 1.086 0.006 . 1 . . . X 5 THR HG22 . 19070 1 28 . 1 1 5 5 THR HG23 H 1 1.086 0.006 . 1 . . . X 5 THR HG23 . 19070 1 29 . 1 1 6 6 PHE H H 1 8.373 0.002 . 1 . . . X 6 PHE H . 19070 1 30 . 1 1 6 6 PHE HA H 1 4.673 0.004 . 1 . . . X 6 PHE HA . 19070 1 31 . 1 1 6 6 PHE HB2 H 1 2.991 0.005 . 2 . . . X 6 PHE HB2 . 19070 1 32 . 1 1 6 6 PHE HB3 H 1 3.125 0.002 . 2 . . . X 6 PHE HB3 . 19070 1 33 . 1 1 6 6 PHE HD1 H 1 7.187 0.004 . 1 . . . X 6 PHE HD1 . 19070 1 34 . 1 1 6 6 PHE HD2 H 1 7.187 0.004 . 1 . . . X 6 PHE HD2 . 19070 1 35 . 1 1 6 6 PHE HE1 H 1 7.246 0.008 . 1 . . . X 6 PHE HE1 . 19070 1 36 . 1 1 6 6 PHE HE2 H 1 7.246 0.008 . 1 . . . X 6 PHE HE2 . 19070 1 37 . 1 1 7 7 THR H H 1 8.090 0.006 . 1 . . . X 7 THR H . 19070 1 38 . 1 1 7 7 THR HA H 1 4.271 0.031 . 1 . . . X 7 THR HA . 19070 1 39 . 1 1 7 7 THR HB H 1 4.175 0.007 . 1 . . . X 7 THR HB . 19070 1 40 . 1 1 7 7 THR HG21 H 1 1.132 0.007 . 1 . . . X 7 THR HG21 . 19070 1 41 . 1 1 7 7 THR HG22 H 1 1.132 0.007 . 1 . . . X 7 THR HG22 . 19070 1 42 . 1 1 7 7 THR HG23 H 1 1.132 0.007 . 1 . . . X 7 THR HG23 . 19070 1 43 . 1 1 8 8 SER H H 1 8.211 0.017 . 1 . . . X 8 SER H . 19070 1 44 . 1 1 8 8 SER HA H 1 4.347 0.010 . 1 . . . X 8 SER HA . 19070 1 45 . 1 1 8 8 SER HB2 H 1 3.628 0.010 . 2 . . . X 8 SER HB2 . 19070 1 46 . 1 1 8 8 SER HB3 H 1 3.717 0.034 . 2 . . . X 8 SER HB3 . 19070 1 47 . 1 1 9 9 ASP H H 1 8.324 0.005 . 1 . . . X 9 ASP H . 19070 1 48 . 1 1 9 9 ASP HA H 1 4.594 0.006 . 1 . . . X 9 ASP HA . 19070 1 49 . 1 1 9 9 ASP HB2 H 1 2.620 0.011 . 2 . . . X 9 ASP HB2 . 19070 1 50 . 1 1 9 9 ASP HB3 H 1 2.712 0.006 . 2 . . . X 9 ASP HB3 . 19070 1 51 . 1 1 10 10 TYR H H 1 8.136 0.011 . 1 . . . X 10 TYR H . 19070 1 52 . 1 1 10 10 TYR HA H 1 3.913 0.000 . 1 . . . X 10 TYR HA . 19070 1 53 . 1 1 10 10 TYR HB2 H 1 2.965 0.004 . 2 . . . X 10 TYR HB2 . 19070 1 54 . 1 1 10 10 TYR HB3 H 1 3.063 0.000 . 2 . . . X 10 TYR HB3 . 19070 1 55 . 1 1 10 10 TYR HD1 H 1 6.971 0.018 . 1 . . . X 10 TYR HD1 . 19070 1 56 . 1 1 10 10 TYR HD2 H 1 6.971 0.018 . 1 . . . X 10 TYR HD2 . 19070 1 57 . 1 1 10 10 TYR HE1 H 1 6.735 0.007 . 1 . . . X 10 TYR HE1 . 19070 1 58 . 1 1 10 10 TYR HE2 H 1 6.735 0.007 . 1 . . . X 10 TYR HE2 . 19070 1 59 . 1 1 11 11 SER H H 1 8.211 0.002 . 1 . . . X 11 SER H . 19070 1 60 . 1 1 11 11 SER HA H 1 4.528 0.014 . 1 . . . X 11 SER HA . 19070 1 61 . 1 1 11 11 SER HB2 H 1 3.838 0.008 . 2 . . . X 11 SER HB2 . 19070 1 62 . 1 1 11 11 SER HB3 H 1 3.976 0.001 . 2 . . . X 11 SER HB3 . 19070 1 63 . 1 1 12 12 LYS H H 1 7.979 0.010 . 1 . . . X 12 LYS H . 19070 1 64 . 1 1 12 12 LYS HA H 1 4.159 0.009 . 1 . . . X 12 LYS HA . 19070 1 65 . 1 1 12 12 LYS HB2 H 1 2.131 0.009 . 2 . . . X 12 LYS HB2 . 19070 1 66 . 1 1 12 12 LYS HB3 H 1 2.199 0.010 . 2 . . . X 12 LYS HB3 . 19070 1 67 . 1 1 12 12 LYS HG2 H 1 0.914 0.005 . 2 . . . X 12 LYS HG2 . 19070 1 68 . 1 1 12 12 LYS HG3 H 1 1.132 0.010 . 2 . . . X 12 LYS HG3 . 19070 1 69 . 1 1 12 12 LYS HD2 H 1 1.833 0.007 . 2 . . . X 12 LYS HD2 . 19070 1 70 . 1 1 12 12 LYS HD3 H 1 1.896 0.031 . 2 . . . X 12 LYS HD3 . 19070 1 71 . 1 1 12 12 LYS HE2 H 1 3.020 0.009 . 2 . . . X 12 LYS HE2 . 19070 1 72 . 1 1 12 12 LYS HE3 H 1 3.379 0.015 . 2 . . . X 12 LYS HE3 . 19070 1 73 . 1 1 12 12 LYS HZ1 H 1 7.407 0.008 . 1 . . . X 12 LYS HZ1 . 19070 1 74 . 1 1 12 12 LYS HZ2 H 1 7.407 0.008 . 1 . . . X 12 LYS HZ2 . 19070 1 75 . 1 1 12 12 LYS HZ3 H 1 7.407 0.008 . 1 . . . X 12 LYS HZ3 . 19070 1 76 . 1 1 13 13 LYS H H 1 7.722 0.012 . 1 . . . X 13 LYS H . 19070 1 77 . 1 1 13 13 LYS HA H 1 4.036 0.009 . 1 . . . X 13 LYS HA . 19070 1 78 . 1 1 13 13 LYS HB2 H 1 1.651 0.009 . 2 . . . X 13 LYS HB2 . 19070 1 79 . 1 1 13 13 LYS HB3 H 1 1.862 0.009 . 2 . . . X 13 LYS HB3 . 19070 1 80 . 1 1 13 13 LYS HG2 H 1 0.957 0.002 . 2 . . . X 13 LYS HG2 . 19070 1 81 . 1 1 13 13 LYS HG3 H 1 1.082 0.005 . 2 . . . X 13 LYS HG3 . 19070 1 82 . 1 1 13 13 LYS HD2 H 1 1.383 0.009 . 2 . . . X 13 LYS HD2 . 19070 1 83 . 1 1 13 13 LYS HD3 H 1 1.440 0.013 . 2 . . . X 13 LYS HD3 . 19070 1 84 . 1 1 13 13 LYS HE2 H 1 3.059 0.010 . 2 . . . X 13 LYS HE2 . 19070 1 85 . 1 1 13 13 LYS HE3 H 1 3.361 0.029 . 2 . . . X 13 LYS HE3 . 19070 1 86 . 1 1 13 13 LYS HZ1 H 1 7.850 0.006 . 1 . . . X 13 LYS HZ1 . 19070 1 87 . 1 1 13 13 LYS HZ2 H 1 7.850 0.006 . 1 . . . X 13 LYS HZ . 19070 1 88 . 1 1 13 13 LYS HZ3 H 1 7.850 0.006 . 1 . . . X 13 LYS HZ . 19070 1 89 . 1 1 14 14 LEU H H 1 7.802 0.008 . 1 . . . X 14 LEU H . 19070 1 90 . 1 1 14 14 LEU HA H 1 4.193 0.009 . 1 . . . X 14 LEU HA . 19070 1 91 . 1 1 14 14 LEU HB2 H 1 1.565 0.005 . 2 . . . X 14 LEU HB2 . 19070 1 92 . 1 1 14 14 LEU HB3 H 1 1.617 0.001 . 2 . . . X 14 LEU HB3 . 19070 1 93 . 1 1 14 14 LEU HG H 1 1.515 0.014 . 1 . . . X 14 LEU HG . 19070 1 94 . 1 1 14 14 LEU HD11 H 1 0.779 0.008 . 2 . . . X 14 LEU HD11 . 19070 1 95 . 1 1 14 14 LEU HD12 H 1 0.779 0.008 . 2 . . . X 14 LEU HD12 . 19070 1 96 . 1 1 14 14 LEU HD13 H 1 0.779 0.008 . 2 . . . X 14 LEU HD13 . 19070 1 97 . 1 1 14 14 LEU HD21 H 1 0.819 0.007 . 2 . . . X 14 LEU HD21 . 19070 1 98 . 1 1 14 14 LEU HD22 H 1 0.819 0.007 . 2 . . . X 14 LEU HD22 . 19070 1 99 . 1 1 14 14 LEU HD23 H 1 0.819 0.007 . 2 . . . X 14 LEU HD23 . 19070 1 100 . 1 1 15 15 ASP H H 1 8.081 0.010 . 1 . . . X 15 ASP H . 19070 1 101 . 1 1 15 15 ASP HA H 1 4.510 0.005 . 1 . . . X 15 ASP HA . 19070 1 102 . 1 1 15 15 ASP HB2 H 1 2.769 0.013 . 2 . . . X 15 ASP HB2 . 19070 1 103 . 1 1 15 15 ASP HB3 H 1 2.841 0.012 . 2 . . . X 15 ASP HB3 . 19070 1 104 . 1 1 16 16 AIB HB11 H 1 1.406 0.013 . 1 . . . . 16 AIB HB2 . 19070 1 105 . 1 1 16 16 AIB HB12 H 1 1.406 0.013 . 1 . . . . 16 AIB HB2 . 19070 1 106 . 1 1 16 16 AIB HB13 H 1 1.406 0.013 . 1 . . . . 16 AIB HB2 . 19070 1 107 . 1 1 16 16 AIB HB21 H 1 1.480 0.009 . 1 . . . . 16 AIB HB3 . 19070 1 108 . 1 1 16 16 AIB HB22 H 1 1.480 0.009 . 1 . . . . 16 AIB HB3 . 19070 1 109 . 1 1 16 16 AIB HB23 H 1 1.480 0.009 . 1 . . . . 16 AIB HB3 . 19070 1 110 . 1 1 16 16 AIB H H 1 8.258 0.009 . 1 . . . . 16 AIB HN . 19070 1 111 . 1 1 17 17 ARG H H 1 7.806 0.009 . 1 . . . X 17 ARG H . 19070 1 112 . 1 1 17 17 ARG HA H 1 4.257 0.008 . 1 . . . X 17 ARG HA . 19070 1 113 . 1 1 17 17 ARG HB2 H 1 1.647 0.009 . 2 . . . X 17 ARG HB2 . 19070 1 114 . 1 1 17 17 ARG HB3 H 1 1.752 0.010 . 2 . . . X 17 ARG HB3 . 19070 1 115 . 1 1 17 17 ARG HG2 H 1 1.375 0.012 . 2 . . . X 17 ARG HG2 . 19070 1 116 . 1 1 17 17 ARG HG3 H 1 1.434 0.020 . 2 . . . X 17 ARG HG3 . 19070 1 117 . 1 1 17 17 ARG HD2 H 1 2.719 0.005 . 2 . . . X 17 ARG HD2 . 19070 1 118 . 1 1 17 17 ARG HD3 H 1 2.946 0.055 . 2 . . . X 17 ARG HD3 . 19070 1 119 . 1 1 17 17 ARG HE H 1 7.524 0.008 . 1 . . . X 17 ARG HE . 19070 1 120 . 1 1 17 17 ARG HH11 H 1 6.877 0.002 . 1 . . . X 17 ARG HH11 . 19070 1 121 . 1 1 17 17 ARG HH21 H 1 6.815 0.000 . 1 . . . X 17 ARG HH21 . 19070 1 122 . 1 1 18 18 ARG H H 1 7.989 0.000 . 1 . . . X 18 ARG H . 19070 1 123 . 1 1 18 18 ARG HA H 1 4.558 0.000 . 1 . . . X 18 ARG HA . 19070 1 124 . 1 1 18 18 ARG HB2 H 1 1.869 0.006 . 2 . . . X 18 ARG HB2 . 19070 1 125 . 1 1 18 18 ARG HB3 H 1 1.898 0.008 . 2 . . . X 18 ARG HB3 . 19070 1 126 . 1 1 18 18 ARG HG2 H 1 1.702 0.007 . 2 . . . X 18 ARG HG2 . 19070 1 127 . 1 1 18 18 ARG HG3 H 1 1.771 0.000 . 2 . . . X 18 ARG HG3 . 19070 1 128 . 1 1 18 18 ARG HD2 H 1 2.966 0.000 . 2 . . . X 18 ARG HD2 . 19070 1 129 . 1 1 18 18 ARG HD3 H 1 3.212 0.005 . 2 . . . X 18 ARG HD3 . 19070 1 130 . 1 1 18 18 ARG HE H 1 7.434 0.007 . 1 . . . X 18 ARG HE . 19070 1 131 . 1 1 18 18 ARG HH11 H 1 6.875 0.002 . 1 . . . X 18 ARG HH11 . 19070 1 132 . 1 1 18 18 ARG HH21 H 1 6.749 0.000 . 1 . . . X 18 ARG HH21 . 19070 1 133 . 1 1 19 19 ALA H H 1 8.942 0.000 . 1 . . . X 19 ALA H . 19070 1 134 . 1 1 19 19 ALA HA H 1 4.166 0.000 . 1 . . . X 19 ALA HA . 19070 1 135 . 1 1 19 19 ALA HB1 H 1 1.484 0.006 . 1 . . . X 19 ALA HB1 . 19070 1 136 . 1 1 19 19 ALA HB2 H 1 1.484 0.006 . 1 . . . X 19 ALA HB2 . 19070 1 137 . 1 1 19 19 ALA HB3 H 1 1.484 0.006 . 1 . . . X 19 ALA HB3 . 19070 1 138 . 1 1 20 20 GLN H H 1 8.049 0.005 . 1 . . . X 20 GLN H . 19070 1 139 . 1 1 20 20 GLN HA H 1 4.155 0.004 . 1 . . . X 20 GLN HA . 19070 1 140 . 1 1 20 20 GLN HB2 H 1 1.837 0.007 . 2 . . . X 20 GLN HB2 . 19070 1 141 . 1 1 20 20 GLN HB3 H 1 2.099 0.010 . 2 . . . X 20 GLN HB3 . 19070 1 142 . 1 1 20 20 GLN HG2 H 1 2.215 0.003 . 2 . . . X 20 GLN HG2 . 19070 1 143 . 1 1 20 20 GLN HG3 H 1 2.215 0.003 . 2 . . . X 20 GLN HG3 . 19070 1 144 . 1 1 21 21 ASP H H 1 7.987 0.004 . 1 . . . X 21 ASP H . 19070 1 145 . 1 1 21 21 ASP HA H 1 4.202 0.006 . 1 . . . X 21 ASP HA . 19070 1 146 . 1 1 21 21 ASP HB2 H 1 2.140 0.017 . 2 . . . X 21 ASP HB2 . 19070 1 147 . 1 1 21 21 ASP HB3 H 1 2.323 0.006 . 2 . . . X 21 ASP HB3 . 19070 1 148 . 1 1 22 22 PHE H H 1 8.115 0.000 . 1 . . . X 22 PHE H . 19070 1 149 . 1 1 22 22 PHE HA H 1 4.080 0.011 . 1 . . . X 22 PHE HA . 19070 1 150 . 1 1 22 22 PHE HB2 H 1 3.208 0.007 . 2 . . . X 22 PHE HB2 . 19070 1 151 . 1 1 22 22 PHE HB3 H 1 3.243 0.003 . 2 . . . X 22 PHE HB3 . 19070 1 152 . 1 1 22 22 PHE HD1 H 1 6.799 0.000 . 1 . . . X 22 PHE HD1 . 19070 1 153 . 1 1 22 22 PHE HD2 H 1 6.799 0.000 . 1 . . . X 22 PHE HD2 . 19070 1 154 . 1 1 22 22 PHE HE1 H 1 7.102 0.005 . 1 . . . X 22 PHE HE1 . 19070 1 155 . 1 1 22 22 PHE HE2 H 1 7.102 0.005 . 1 . . . X 22 PHE HE2 . 19070 1 156 . 1 1 23 23 VAL HA H 1 3.403 0.013 . 1 . . . X 23 VAL HA . 19070 1 157 . 1 1 23 23 VAL HG11 H 1 1.119 0.017 . 2 . . . X 23 VAL HG11 . 19070 1 158 . 1 1 23 23 VAL HG12 H 1 1.119 0.017 . 2 . . . X 23 VAL HG12 . 19070 1 159 . 1 1 23 23 VAL HG13 H 1 1.119 0.017 . 2 . . . X 23 VAL HG13 . 19070 1 160 . 1 1 23 23 VAL HG21 H 1 1.184 0.014 . 2 . . . X 23 VAL HG21 . 19070 1 161 . 1 1 23 23 VAL HG22 H 1 1.184 0.014 . 2 . . . X 23 VAL HG22 . 19070 1 162 . 1 1 23 23 VAL HG23 H 1 1.184 0.014 . 2 . . . X 23 VAL HG23 . 19070 1 163 . 1 1 24 24 GLN H H 1 7.930 0.009 . 1 . . . X 24 GLN H . 19070 1 164 . 1 1 24 24 GLN HA H 1 4.293 0.005 . 1 . . . X 24 GLN HA . 19070 1 165 . 1 1 24 24 GLN HB2 H 1 1.839 0.009 . 2 . . . X 24 GLN HB2 . 19070 1 166 . 1 1 24 24 GLN HB3 H 1 2.097 0.015 . 2 . . . X 24 GLN HB3 . 19070 1 167 . 1 1 24 24 GLN HG2 H 1 2.154 0.002 . 2 . . . X 24 GLN HG2 . 19070 1 168 . 1 1 24 24 GLN HG3 H 1 2.218 0.009 . 2 . . . X 24 GLN HG3 . 19070 1 169 . 1 1 25 25 TRP H H 1 8.002 0.009 . 1 . . . X 25 TRP H . 19070 1 170 . 1 1 25 25 TRP HA H 1 4.387 0.001 . 1 . . . X 25 TRP HA . 19070 1 171 . 1 1 25 25 TRP HB2 H 1 3.279 0.000 . 2 . . . X 25 TRP HB2 . 19070 1 172 . 1 1 25 25 TRP HB3 H 1 3.279 0.000 . 2 . . . X 25 TRP HB3 . 19070 1 173 . 1 1 25 25 TRP HD1 H 1 7.148 0.001 . 1 . . . X 25 TRP HD1 . 19070 1 174 . 1 1 25 25 TRP HE1 H 1 10.100 0.000 . 1 . . . X 25 TRP HE1 . 19070 1 175 . 1 1 25 25 TRP HE3 H 1 7.635 0.004 . 1 . . . X 25 TRP HE3 . 19070 1 176 . 1 1 25 25 TRP HZ2 H 1 7.262 0.000 . 1 . . . X 25 TRP HZ2 . 19070 1 177 . 1 1 25 25 TRP HZ3 H 1 6.753 0.012 . 1 . . . X 25 TRP HZ3 . 19070 1 178 . 1 1 25 25 TRP HH2 H 1 6.922 0.000 . 1 . . . X 25 TRP HH2 . 19070 1 179 . 1 1 26 26 LEU H H 1 8.305 0.010 . 1 . . . X 26 LEU H . 19070 1 180 . 1 1 26 26 LEU HA H 1 3.969 0.000 . 1 . . . X 26 LEU HA . 19070 1 181 . 1 1 26 26 LEU HB2 H 1 2.160 0.012 . 2 . . . X 26 LEU HB2 . 19070 1 182 . 1 1 26 26 LEU HB3 H 1 2.378 0.000 . 2 . . . X 26 LEU HB3 . 19070 1 183 . 1 1 26 26 LEU HG H 1 1.428 0.007 . 1 . . . X 26 LEU HG . 19070 1 184 . 1 1 26 26 LEU HD11 H 1 0.660 0.008 . 1 . . . X 26 LEU HD11 . 19070 1 185 . 1 1 26 26 LEU HD12 H 1 0.660 0.008 . 1 . . . X 26 LEU HD12 . 19070 1 186 . 1 1 26 26 LEU HD13 H 1 0.660 0.008 . 1 . . . X 26 LEU HD13 . 19070 1 187 . 1 1 26 26 LEU HD21 H 1 0.660 0.008 . 1 . . . X 26 LEU HD21 . 19070 1 188 . 1 1 26 26 LEU HD22 H 1 0.660 0.008 . 1 . . . X 26 LEU HD22 . 19070 1 189 . 1 1 26 26 LEU HD23 H 1 0.660 0.008 . 1 . . . X 26 LEU HD23 . 19070 1 190 . 1 1 27 27 MET H H 1 8.885 0.003 . 1 . . . X 27 MET H . 19070 1 191 . 1 1 27 27 MET HA H 1 4.426 0.006 . 1 . . . X 27 MET HA . 19070 1 192 . 1 1 27 27 MET HB2 H 1 1.909 0.003 . 2 . . . X 27 MET HB2 . 19070 1 193 . 1 1 27 27 MET HB3 H 1 1.996 0.014 . 2 . . . X 27 MET HB3 . 19070 1 194 . 1 1 27 27 MET HG2 H 1 2.363 0.000 . 2 . . . X 27 MET HG2 . 19070 1 195 . 1 1 27 27 MET HG3 H 1 2.602 0.003 . 2 . . . X 27 MET HG3 . 19070 1 196 . 1 1 29 29 THR H H 1 8.641 0.002 . 1 . . . X 29 THR H . 19070 1 197 . 1 1 29 29 THR HA H 1 3.993 0.008 . 1 . . . X 29 THR HA . 19070 1 198 . 1 1 29 29 THR HB H 1 4.107 0.007 . 1 . . . X 29 THR HB . 19070 1 199 . 1 1 29 29 THR HG21 H 1 1.007 0.001 . 1 . . . X 29 THR HG21 . 19070 1 200 . 1 1 29 29 THR HG22 H 1 1.007 0.001 . 1 . . . X 29 THR HG22 . 19070 1 201 . 1 1 29 29 THR HG23 H 1 1.007 0.001 . 1 . . . X 29 THR HG23 . 19070 1 202 . 2 2 1 1 GGL HA H 1 4.248 0.005 . 1 . . . . 101 GGL HA . 19070 1 203 . 2 2 1 1 GGL HB2 H 1 2.025 0.010 . 1 . . . . 101 GGL HB3 . 19070 1 204 . 2 2 1 1 GGL HB3 H 1 2.133 0.008 . 1 . . . . 101 GGL HB3 . 19070 1 205 . 2 2 1 1 GGL HG2 H 1 2.312 0.000 . 1 . . . . 101 GGL HG2 . 19070 1 206 . 2 2 1 1 GGL HG3 H 1 2.386 0.006 . 1 . . . . 101 GGL HG3 . 19070 1 207 . 2 2 1 1 GGL HN H 1 7.893 0.011 . 1 . . . . 101 GGL HN . 19070 1 208 . 3 2 1 1 GGL HA H 1 3.935 0.007 . 1 . . . . 102 GGL HA . 19070 1 209 . 3 2 1 1 GGL HB2 H 1 2.175 0.019 . 1 . . . . 102 GGL HB3 . 19070 1 210 . 3 2 1 1 GGL HB3 H 1 2.228 0.028 . 1 . . . . 102 GGL HB3 . 19070 1 211 . 3 2 1 1 GGL HG2 H 1 2.456 0.016 . 1 . . . . 102 GGL HG2 . 19070 1 212 . 3 2 1 1 GGL HG3 H 1 2.507 0.005 . 1 . . . . 102 GGL HG3 . 19070 1 213 . 3 2 1 1 GGL HN H 1 7.808 0.006 . 1 . . . . 102 GGL HN . 19070 1 214 . 4 3 1 1 PLM H15 H 1 1.236 0.019 . 1 . . . . 103 PLM H15 . 19070 1 215 . 4 3 1 1 PLM H16 H 1 0.845 0.014 . 1 . . . . 103 PLM H16 . 19070 1 216 . 4 3 1 1 PLM H2 H 1 2.349 0.003 . 1 . . . . 103 PLM H2 . 19070 1 217 . 4 3 1 1 PLM H3 H 1 1.576 0.008 . 1 . . . . 103 PLM H3 . 19070 1 218 . 4 3 1 1 PLM H4 H 1 1.306 0.007 . 1 . . . . 103 PLM H4 . 19070 1 219 . 4 3 1 1 PLM H5 H 1 1.244 0.008 . 1 . . . . 103 PLM H5 . 19070 1 stop_ save_