################################### # 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 31296 _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' . . . 31296 1 2 '2D 1H-1H TOCSY' . . . 31296 1 3 '2D 1H-1H COSY' . . . 31296 1 4 '2D DQF-COSY' . . . 31296 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 GLY HA2 H 1 3.92 0.008 . 1 . . . . A 1 GLY HA2 . 31296 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.835 0.009 . 1 . . . . A 1 GLY HA3 . 31296 1 3 . 1 . 1 2 2 ARG H H 1 9.061 0.011 . 1 . . . . A 2 ARG H . 31296 1 4 . 1 . 1 2 2 ARG HA H 1 4.153 0.01 . 1 . . . . A 2 ARG HA . 31296 1 5 . 1 . 1 2 2 ARG HB2 H 1 1.901 0.012 . 2 . . . . A 2 ARG HB2 . 31296 1 6 . 1 . 1 2 2 ARG HB3 H 1 1.901 0.012 . 2 . . . . A 2 ARG HB3 . 31296 1 7 . 1 . 1 2 2 ARG HG2 H 1 1.765 0.011 . 1 . . . . A 2 ARG HG2 . 31296 1 8 . 1 . 1 2 2 ARG HG3 H 1 1.711 0.005 . 1 . . . . A 2 ARG HG3 . 31296 1 9 . 1 . 1 2 2 ARG HD2 H 1 3.257 0.012 . 2 . . . . A 2 ARG HD2 . 31296 1 10 . 1 . 1 2 2 ARG HD3 H 1 3.257 0.012 . 2 . . . . A 2 ARG HD3 . 31296 1 11 . 1 . 1 2 2 ARG HE H 1 7.572 0.011 . 1 . . . . A 2 ARG HE . 31296 1 12 . 1 . 1 3 3 LEU H H 1 8.646 0.015 . 1 . . . . A 3 LEU H . 31296 1 13 . 1 . 1 3 3 LEU HA H 1 4.213 0.01 . 1 . . . . A 3 LEU HA . 31296 1 14 . 1 . 1 3 3 LEU HB2 H 1 1.786 0.03 . 2 . . . . A 3 LEU HB2 . 31296 1 15 . 1 . 1 3 3 LEU HB3 H 1 1.786 0.03 . 2 . . . . A 3 LEU HB3 . 31296 1 16 . 1 . 1 3 3 LEU HG H 1 1.682 0.007 . 1 . . . . A 3 LEU HG . 31296 1 17 . 1 . 1 3 3 LEU HD11 H 1 1.003 0.006 . 1 . . . . A 3 LEU HD11 . 31296 1 18 . 1 . 1 3 3 LEU HD12 H 1 1.003 0.006 . 1 . . . . A 3 LEU HD12 . 31296 1 19 . 1 . 1 3 3 LEU HD13 H 1 1.003 0.006 . 1 . . . . A 3 LEU HD13 . 31296 1 20 . 1 . 1 3 3 LEU HD21 H 1 0.944 0.004 . 1 . . . . A 3 LEU HD21 . 31296 1 21 . 1 . 1 3 3 LEU HD22 H 1 0.944 0.004 . 1 . . . . A 3 LEU HD22 . 31296 1 22 . 1 . 1 3 3 LEU HD23 H 1 0.944 0.004 . 1 . . . . A 3 LEU HD23 . 31296 1 23 . 1 . 1 4 4 SER H H 1 8.326 0.015 . 1 . . . . A 4 SER H . 31296 1 24 . 1 . 1 4 4 SER HA H 1 4.106 0.01 . 1 . . . . A 4 SER HA . 31296 1 25 . 1 . 1 4 4 SER HB2 H 1 4.043 0.021 . 2 . . . . A 4 SER HB2 . 31296 1 26 . 1 . 1 4 4 SER HB3 H 1 4.043 0.021 . 2 . . . . A 4 SER HB3 . 31296 1 27 . 1 . 1 5 5 ALA H H 1 7.998 0.008 . 1 . . . . A 5 ALA H . 31296 1 28 . 1 . 1 5 5 ALA HA H 1 4.122 0.01 . 1 . . . . A 5 ALA HA . 31296 1 29 . 1 . 1 5 5 ALA HB1 H 1 1.54 0.007 . 1 . . . . A 5 ALA HB1 . 31296 1 30 . 1 . 1 5 5 ALA HB2 H 1 1.54 0.007 . 1 . . . . A 5 ALA HB2 . 31296 1 31 . 1 . 1 5 5 ALA HB3 H 1 1.54 0.007 . 1 . . . . A 5 ALA HB3 . 31296 1 32 . 1 . 1 6 6 ILE H H 1 7.997 0.018 . 1 . . . . A 6 ILE H . 31296 1 33 . 1 . 1 6 6 ILE HA H 1 3.83 0.025 . 1 . . . . A 6 ILE HA . 31296 1 34 . 1 . 1 6 6 ILE HB H 1 2.063 0.017 . 1 . . . . A 6 ILE HB . 31296 1 35 . 1 . 1 6 6 ILE HG12 H 1 1.229 0.009 . 2 . . . . A 6 ILE HG12 . 31296 1 36 . 1 . 1 6 6 ILE HG13 H 1 1.229 0.009 . 2 . . . . A 6 ILE HG13 . 31296 1 37 . 1 . 1 6 6 ILE HG21 H 1 0.973 0.006 . 1 . . . . A 6 ILE HG21 . 31296 1 38 . 1 . 1 6 6 ILE HG22 H 1 0.973 0.006 . 1 . . . . A 6 ILE HG22 . 31296 1 39 . 1 . 1 6 6 ILE HG23 H 1 0.973 0.006 . 1 . . . . A 6 ILE HG23 . 31296 1 40 . 1 . 1 6 6 ILE HD11 H 1 0.902 0.000 . 1 . . . . A 6 ILE HD11 . 31296 1 41 . 1 . 1 6 6 ILE HD12 H 1 0.902 0.000 . 1 . . . . A 6 ILE HD12 . 31296 1 42 . 1 . 1 6 6 ILE HD13 H 1 0.902 0.000 . 1 . . . . A 6 ILE HD13 . 31296 1 43 . 1 . 1 7 7 LYS H H 1 8.013 0.021 . 1 . . . . A 7 LYS H . 31296 1 44 . 1 . 1 7 7 LYS HA H 1 4.016 0.018 . 1 . . . . A 7 LYS HA . 31296 1 45 . 1 . 1 7 7 LYS HB2 H 1 2.113 0.007 . 2 . . . . A 7 LYS HB2 . 31296 1 46 . 1 . 1 7 7 LYS HB3 H 1 2.113 0.007 . 2 . . . . A 7 LYS HB3 . 31296 1 47 . 1 . 1 7 7 LYS HG2 H 1 1.737 0.006 . 2 . . . . A 7 LYS HG2 . 31296 1 48 . 1 . 1 7 7 LYS HG3 H 1 1.737 0.006 . 2 . . . . A 7 LYS HG3 . 31296 1 49 . 1 . 1 7 7 LYS HD2 H 1 1.97 0.006 . 2 . . . . A 7 LYS HD2 . 31296 1 50 . 1 . 1 7 7 LYS HD3 H 1 1.97 0.006 . 2 . . . . A 7 LYS HD3 . 31296 1 51 . 1 . 1 7 7 LYS HE2 H 1 2.956 0.007 . 2 . . . . A 7 LYS HE2 . 31296 1 52 . 1 . 1 7 7 LYS HE3 H 1 2.956 0.007 . 2 . . . . A 7 LYS HE3 . 31296 1 53 . 1 . 1 8 8 LYS H H 1 8.606 0.022 . 1 . . . . A 8 LYS H . 31296 1 54 . 1 . 1 8 8 LYS HA H 1 4.159 0.023 . 1 . . . . A 8 LYS HA . 31296 1 55 . 1 . 1 8 8 LYS HB2 H 1 2.005 0.009 . 2 . . . . A 8 LYS HB2 . 31296 1 56 . 1 . 1 8 8 LYS HB3 H 1 2.005 0.009 . 2 . . . . A 8 LYS HB3 . 31296 1 57 . 1 . 1 8 8 LYS HG2 H 1 1.788 0 . 2 . . . . A 8 LYS HG2 . 31296 1 58 . 1 . 1 8 8 LYS HG3 H 1 1.788 0 . 2 . . . . A 8 LYS HG3 . 31296 1 59 . 1 . 1 8 8 LYS HD2 H 1 1.57 0 . 2 . . . . A 8 LYS HD2 . 31296 1 60 . 1 . 1 8 8 LYS HD3 H 1 1.57 0 . 2 . . . . A 8 LYS HD3 . 31296 1 61 . 1 . 1 9 9 GLY H H 1 8.591 0.015 . 1 . . . . A 9 GLY H . 31296 1 62 . 1 . 1 9 9 GLY HA2 H 1 3.968 0.017 . 1 . . . . A 9 GLY HA2 . 31296 1 63 . 1 . 1 9 9 GLY HA3 H 1 3.912 0.009 . 1 . . . . A 9 GLY HA3 . 31296 1 64 . 1 . 1 10 10 GLY H H 1 8.545 0.007 . 1 . . . . A 10 GLY H . 31296 1 65 . 1 . 1 10 10 GLY HA2 H 1 3.93 0.017 . 2 . . . . A 10 GLY HA2 . 31296 1 66 . 1 . 1 10 10 GLY HA3 H 1 3.93 0.017 . 2 . . . . A 10 GLY HA3 . 31296 1 67 . 1 . 1 11 11 LYS H H 1 8.401 0.014 . 1 . . . . A 11 LYS H . 31296 1 68 . 1 . 1 11 11 LYS HA H 1 4.004 0.006 . 1 . . . . A 11 LYS HA . 31296 1 69 . 1 . 1 11 11 LYS HB2 H 1 2.006 0.027 . 1 . . . . A 11 LYS HB2 . 31296 1 70 . 1 . 1 11 11 LYS HB3 H 1 1.924 0.002 . 1 . . . . A 11 LYS HB3 . 31296 1 71 . 1 . 1 11 11 LYS HG2 H 1 1.476 0.008 . 2 . . . . A 11 LYS HG2 . 31296 1 72 . 1 . 1 11 11 LYS HG3 H 1 1.476 0.008 . 2 . . . . A 11 LYS HG3 . 31296 1 73 . 1 . 1 11 11 LYS HD2 H 1 1.689 0.001 . 2 . . . . A 11 LYS HD2 . 31296 1 74 . 1 . 1 11 11 LYS HD3 H 1 1.689 0.001 . 2 . . . . A 11 LYS HD3 . 31296 1 75 . 1 . 1 11 11 LYS HE2 H 1 2.921 0.002 . 2 . . . . A 11 LYS HE2 . 31296 1 76 . 1 . 1 11 11 LYS HE3 H 1 2.921 0.002 . 2 . . . . A 11 LYS HE3 . 31296 1 77 . 1 . 1 12 12 ILE H H 1 8.239 0.026 . 1 . . . . A 12 ILE H . 31296 1 78 . 1 . 1 12 12 ILE HA H 1 3.817 0.02 . 1 . . . . A 12 ILE HA . 31296 1 79 . 1 . 1 12 12 ILE HB H 1 2.003 0.019 . 1 . . . . A 12 ILE HB . 31296 1 80 . 1 . 1 12 12 ILE HG12 H 1 1.234 0.006 . 2 . . . . A 12 ILE HG12 . 31296 1 81 . 1 . 1 12 12 ILE HG13 H 1 1.234 0.006 . 2 . . . . A 12 ILE HG13 . 31296 1 82 . 1 . 1 12 12 ILE HG21 H 1 0.962 0.015 . 1 . . . . A 12 ILE HG21 . 31296 1 83 . 1 . 1 12 12 ILE HG22 H 1 0.962 0.015 . 1 . . . . A 12 ILE HG22 . 31296 1 84 . 1 . 1 12 12 ILE HG23 H 1 0.962 0.015 . 1 . . . . A 12 ILE HG23 . 31296 1 85 . 1 . 1 12 12 ILE HD11 H 1 0.902 0.000 . 1 . . . . A 12 ILE HD11 . 31296 1 86 . 1 . 1 12 12 ILE HD12 H 1 0.902 0.000 . 1 . . . . A 12 ILE HD12 . 31296 1 87 . 1 . 1 12 12 ILE HD13 H 1 0.902 0.000 . 1 . . . . A 12 ILE HD13 . 31296 1 88 . 1 . 1 13 13 ILE H H 1 8.03 0.017 . 1 . . . . A 13 ILE H . 31296 1 89 . 1 . 1 13 13 ILE HA H 1 3.672 0.016 . 1 . . . . A 13 ILE HA . 31296 1 90 . 1 . 1 13 13 ILE HB H 1 2.153 0.002 . 1 . . . . A 13 ILE HB . 31296 1 91 . 1 . 1 13 13 ILE HG12 H 1 1.172 0.002 . 2 . . . . A 13 ILE HG12 . 31296 1 92 . 1 . 1 13 13 ILE HG13 H 1 1.172 0.002 . 2 . . . . A 13 ILE HG13 . 31296 1 93 . 1 . 1 13 13 ILE HG21 H 1 0.974 0.004 . 1 . . . . A 13 ILE HG21 . 31296 1 94 . 1 . 1 13 13 ILE HG22 H 1 0.974 0.004 . 1 . . . . A 13 ILE HG22 . 31296 1 95 . 1 . 1 13 13 ILE HG23 H 1 0.974 0.004 . 1 . . . . A 13 ILE HG23 . 31296 1 96 . 1 . 1 13 13 ILE HD11 H 1 0.902 0.000 . 1 . . . . A 13 ILE HD11 . 31296 1 97 . 1 . 1 13 13 ILE HD12 H 1 0.902 0.000 . 1 . . . . A 13 ILE HD12 . 31296 1 98 . 1 . 1 13 13 ILE HD13 H 1 0.902 0.000 . 1 . . . . A 13 ILE HD13 . 31296 1 99 . 1 . 1 14 14 LYS H H 1 8.363 0.018 . 1 . . . . A 14 LYS H . 31296 1 100 . 1 . 1 14 14 LYS HA H 1 4.12 0.01 . 1 . . . . A 14 LYS HA . 31296 1 101 . 1 . 1 14 14 LYS HB2 H 1 2.032 0.009 . 2 . . . . A 14 LYS HB2 . 31296 1 102 . 1 . 1 14 14 LYS HB3 H 1 2.032 0.009 . 2 . . . . A 14 LYS HB3 . 31296 1 103 . 1 . 1 14 14 LYS HG2 H 1 1.505 0 . 2 . . . . A 14 LYS HG2 . 31296 1 104 . 1 . 1 14 14 LYS HG3 H 1 1.505 0 . 2 . . . . A 14 LYS HG3 . 31296 1 105 . 1 . 1 14 14 LYS HD2 H 1 1.678 0 . 2 . . . . A 14 LYS HD2 . 31296 1 106 . 1 . 1 14 14 LYS HD3 H 1 1.678 0 . 2 . . . . A 14 LYS HD3 . 31296 1 107 . 1 . 1 14 14 LYS HE2 H 1 2.917 0.004 . 2 . . . . A 14 LYS HE2 . 31296 1 108 . 1 . 1 14 14 LYS HE3 H 1 2.917 0.004 . 2 . . . . A 14 LYS HE3 . 31296 1 109 . 1 . 1 15 15 LYS H H 1 8.325 0.012 . 1 . . . . A 15 LYS H . 31296 1 110 . 1 . 1 15 15 LYS HA H 1 3.956 0.009 . 1 . . . . A 15 LYS HA . 31296 1 111 . 1 . 1 15 15 LYS HB2 H 1 2.032 0.013 . 1 . . . . A 15 LYS HB2 . 31296 1 112 . 1 . 1 15 15 LYS HB3 H 1 1.954 0.004 . 1 . . . . A 15 LYS HB3 . 31296 1 113 . 1 . 1 15 15 LYS HG2 H 1 1.478 0 . 2 . . . . A 15 LYS HG2 . 31296 1 114 . 1 . 1 15 15 LYS HG3 H 1 1.478 0 . 2 . . . . A 15 LYS HG3 . 31296 1 115 . 1 . 1 15 15 LYS HD2 H 1 1.692 0 . 2 . . . . A 15 LYS HD2 . 31296 1 116 . 1 . 1 15 15 LYS HD3 H 1 1.692 0 . 2 . . . . A 15 LYS HD3 . 31296 1 117 . 1 . 1 15 15 LYS HE2 H 1 2.924 0.002 . 2 . . . . A 15 LYS HE2 . 31296 1 118 . 1 . 1 15 15 LYS HE3 H 1 2.924 0.002 . 2 . . . . A 15 LYS HE3 . 31296 1 119 . 1 . 1 16 16 GLY H H 1 8.409 0.02 . 1 . . . . A 16 GLY H . 31296 1 120 . 1 . 1 16 16 GLY HA2 H 1 3.917 0.006 . 1 . . . . A 16 GLY HA2 . 31296 1 121 . 1 . 1 16 16 GLY HA3 H 1 3.844 0.017 . 1 . . . . A 16 GLY HA3 . 31296 1 122 . 1 . 1 17 17 LEU H H 1 8.469 0.017 . 1 . . . . A 17 LEU H . 31296 1 123 . 1 . 1 17 17 LEU HB2 H 1 2.029 0 . 2 . . . . A 17 LEU HB2 . 31296 1 124 . 1 . 1 17 17 LEU HB3 H 1 2.029 0 . 2 . . . . A 17 LEU HB3 . 31296 1 125 . 1 . 1 17 17 LEU HG H 1 0.971 0 . 1 . . . . A 17 LEU HG . 31296 1 126 . 1 . 1 17 17 LEU HD11 H 1 1.203 0.000 . 1 . . . . A 17 LEU HD11 . 31296 1 127 . 1 . 1 17 17 LEU HD12 H 1 1.203 0.000 . 1 . . . . A 17 LEU HD12 . 31296 1 128 . 1 . 1 17 17 LEU HD13 H 1 1.203 0.000 . 1 . . . . A 17 LEU HD13 . 31296 1 129 . 1 . 1 18 18 GLY H H 1 8.591 0.025 . 1 . . . . A 18 GLY H . 31296 1 130 . 1 . 1 18 18 GLY HA2 H 1 3.954 0.004 . 1 . . . . A 18 GLY HA2 . 31296 1 131 . 1 . 1 18 18 GLY HA3 H 1 3.83 0.012 . 1 . . . . A 18 GLY HA3 . 31296 1 132 . 1 . 1 19 19 VAL H H 1 8.279 0.008 . 1 . . . . A 19 VAL H . 31296 1 133 . 1 . 1 19 19 VAL HA H 1 3.741 0.02 . 1 . . . . A 19 VAL HA . 31296 1 134 . 1 . 1 19 19 VAL HB H 1 2.393 0.007 . 1 . . . . A 19 VAL HB . 31296 1 135 . 1 . 1 19 19 VAL HG11 H 1 1.168 0.001 . 1 . . . . A 19 VAL HG11 . 31296 1 136 . 1 . 1 19 19 VAL HG12 H 1 1.168 0.001 . 1 . . . . A 19 VAL HG12 . 31296 1 137 . 1 . 1 19 19 VAL HG13 H 1 1.168 0.001 . 1 . . . . A 19 VAL HG13 . 31296 1 138 . 1 . 1 19 19 VAL HG21 H 1 1.011 0.002 . 1 . . . . A 19 VAL HG21 . 31296 1 139 . 1 . 1 19 19 VAL HG22 H 1 1.011 0.002 . 1 . . . . A 19 VAL HG22 . 31296 1 140 . 1 . 1 19 19 VAL HG23 H 1 1.011 0.002 . 1 . . . . A 19 VAL HG23 . 31296 1 141 . 1 . 1 20 20 ILE H H 1 8.187 0.012 . 1 . . . . A 20 ILE H . 31296 1 142 . 1 . 1 20 20 ILE HA H 1 3.748 0.009 . 1 . . . . A 20 ILE HA . 31296 1 143 . 1 . 1 20 20 ILE HB H 1 2.026 0.012 . 1 . . . . A 20 ILE HB . 31296 1 144 . 1 . 1 20 20 ILE HG12 H 1 1.228 0.003 . 2 . . . . A 20 ILE HG12 . 31296 1 145 . 1 . 1 20 20 ILE HG13 H 1 1.228 0.003 . 2 . . . . A 20 ILE HG13 . 31296 1 146 . 1 . 1 20 20 ILE HG21 H 1 0.979 0.000 . 1 . . . . A 20 ILE HG21 . 31296 1 147 . 1 . 1 20 20 ILE HG22 H 1 0.979 0.000 . 1 . . . . A 20 ILE HG22 . 31296 1 148 . 1 . 1 20 20 ILE HG23 H 1 0.979 0.000 . 1 . . . . A 20 ILE HG23 . 31296 1 149 . 1 . 1 20 20 ILE HD11 H 1 0.895 0.000 . 1 . . . . A 20 ILE HD11 . 31296 1 150 . 1 . 1 20 20 ILE HD12 H 1 0.895 0.000 . 1 . . . . A 20 ILE HD12 . 31296 1 151 . 1 . 1 20 20 ILE HD13 H 1 0.895 0.000 . 1 . . . . A 20 ILE HD13 . 31296 1 152 . 1 . 1 21 21 SER H H 1 8.461 0.015 . 1 . . . . A 21 SER H . 31296 1 153 . 1 . 1 21 21 SER HA H 1 4.249 0.009 . 1 . . . . A 21 SER HA . 31296 1 154 . 1 . 1 21 21 SER HB2 H 1 4.088 0.007 . 1 . . . . A 21 SER HB2 . 31296 1 155 . 1 . 1 21 21 SER HB3 H 1 4 0.027 . 1 . . . . A 21 SER HB3 . 31296 1 156 . 1 . 1 22 22 ALA H H 1 8.619 0.021 . 1 . . . . A 22 ALA H . 31296 1 157 . 1 . 1 22 22 ALA HA H 1 4.103 0.011 . 1 . . . . A 22 ALA HA . 31296 1 158 . 1 . 1 22 22 ALA HB1 H 1 1.551 0.01 . 1 . . . . A 22 ALA HB1 . 31296 1 159 . 1 . 1 22 22 ALA HB2 H 1 1.551 0.01 . 1 . . . . A 22 ALA HB2 . 31296 1 160 . 1 . 1 22 22 ALA HB3 H 1 1.551 0.01 . 1 . . . . A 22 ALA HB3 . 31296 1 161 . 1 . 1 23 23 ALA H H 1 8.597 0.008 . 1 . . . . A 23 ALA H . 31296 1 162 . 1 . 1 23 23 ALA HA H 1 4.107 0.003 . 1 . . . . A 23 ALA HA . 31296 1 163 . 1 . 1 23 23 ALA HB1 H 1 1.548 0.009 . 1 . . . . A 23 ALA HB1 . 31296 1 164 . 1 . 1 23 23 ALA HB2 H 1 1.548 0.009 . 1 . . . . A 23 ALA HB2 . 31296 1 165 . 1 . 1 23 23 ALA HB3 H 1 1.548 0.009 . 1 . . . . A 23 ALA HB3 . 31296 1 166 . 1 . 1 24 24 GLY H H 1 8.791 0.01 . 1 . . . . A 24 GLY H . 31296 1 167 . 1 . 1 24 24 GLY HA2 H 1 3.993 0.007 . 1 . . . . A 24 GLY HA2 . 31296 1 168 . 1 . 1 24 24 GLY HA3 H 1 3.914 0.016 . 1 . . . . A 24 GLY HA3 . 31296 1 169 . 1 . 1 25 25 THR H H 1 8.483 0.016 . 1 . . . . A 25 THR H . 31296 1 170 . 1 . 1 25 25 THR HA H 1 4.014 0.042 . 1 . . . . A 25 THR HA . 31296 1 171 . 1 . 1 25 25 THR HB H 1 4.337 0.007 . 1 . . . . A 25 THR HB . 31296 1 172 . 1 . 1 25 25 THR HG21 H 1 1.232 0.000 . 1 . . . . A 25 THR HG21 . 31296 1 173 . 1 . 1 25 25 THR HG22 H 1 1.232 0.000 . 1 . . . . A 25 THR HG22 . 31296 1 174 . 1 . 1 25 25 THR HG23 H 1 1.232 0.000 . 1 . . . . A 25 THR HG23 . 31296 1 175 . 1 . 1 26 26 ALA H H 1 8.505 0.028 . 1 . . . . A 26 ALA H . 31296 1 176 . 1 . 1 26 26 ALA HA H 1 4.171 0.024 . 1 . . . . A 26 ALA HA . 31296 1 177 . 1 . 1 26 26 ALA HB1 H 1 1.577 0.01 . 1 . . . . A 26 ALA HB1 . 31296 1 178 . 1 . 1 26 26 ALA HB2 H 1 1.577 0.01 . 1 . . . . A 26 ALA HB2 . 31296 1 179 . 1 . 1 26 26 ALA HB3 H 1 1.577 0.01 . 1 . . . . A 26 ALA HB3 . 31296 1 180 . 1 . 1 27 27 HIS H H 1 8.491 0.02 . 1 . . . . A 27 HIS H . 31296 1 181 . 1 . 1 27 27 HIS HA H 1 4.425 0.027 . 1 . . . . A 27 HIS HA . 31296 1 182 . 1 . 1 27 27 HIS HB2 H 1 3.516 0.013 . 2 . . . . A 27 HIS HB2 . 31296 1 183 . 1 . 1 27 27 HIS HB3 H 1 3.516 0.013 . 2 . . . . A 27 HIS HB3 . 31296 1 184 . 1 . 1 28 28 GLU H H 1 8.428 0.009 . 1 . . . . A 28 GLU H . 31296 1 185 . 1 . 1 28 28 GLU HA H 1 4.089 0.024 . 1 . . . . A 28 GLU HA . 31296 1 186 . 1 . 1 28 28 GLU HB2 H 1 2.431 0.015 . 1 . . . . A 28 GLU HB2 . 31296 1 187 . 1 . 1 28 28 GLU HB3 H 1 2.24 0.005 . 1 . . . . A 28 GLU HB3 . 31296 1 188 . 1 . 1 28 28 GLU HG2 H 1 2.631 0.001 . 1 . . . . A 28 GLU HG2 . 31296 1 189 . 1 . 1 28 28 GLU HG3 H 1 2.527 0.003 . 1 . . . . A 28 GLU HG3 . 31296 1 190 . 1 . 1 29 29 VAL H H 1 8.589 0.015 . 1 . . . . A 29 VAL H . 31296 1 191 . 1 . 1 29 29 VAL HA H 1 3.653 0.019 . 1 . . . . A 29 VAL HA . 31296 1 192 . 1 . 1 29 29 VAL HB H 1 2.21 0.018 . 1 . . . . A 29 VAL HB . 31296 1 193 . 1 . 1 29 29 VAL HG11 H 1 1.105 0 . 1 . . . . A 29 VAL HG11 . 31296 1 194 . 1 . 1 29 29 VAL HG12 H 1 1.105 0 . 1 . . . . A 29 VAL HG12 . 31296 1 195 . 1 . 1 29 29 VAL HG13 H 1 1.105 0 . 1 . . . . A 29 VAL HG13 . 31296 1 196 . 1 . 1 29 29 VAL HG21 H 1 0.91 0 . 1 . . . . A 29 VAL HG21 . 31296 1 197 . 1 . 1 29 29 VAL HG22 H 1 0.91 0 . 1 . . . . A 29 VAL HG22 . 31296 1 198 . 1 . 1 29 29 VAL HG23 H 1 0.91 0 . 1 . . . . A 29 VAL HG23 . 31296 1 199 . 1 . 1 30 30 TYR H H 1 8.495 0.008 . 1 . . . . A 30 TYR H . 31296 1 200 . 1 . 1 30 30 TYR HA H 1 4.176 0.004 . 1 . . . . A 30 TYR HA . 31296 1 201 . 1 . 1 30 30 TYR HB2 H 1 3.151 0.011 . 2 . . . . A 30 TYR HB2 . 31296 1 202 . 1 . 1 30 30 TYR HB3 H 1 3.151 0.011 . 2 . . . . A 30 TYR HB3 . 31296 1 203 . 1 . 1 31 31 SER H H 1 8.285 0.01 . 1 . . . . A 31 SER H . 31296 1 204 . 1 . 1 31 31 SER HA H 1 4.035 0.011 . 1 . . . . A 31 SER HA . 31296 1 205 . 1 . 1 31 31 SER HB2 H 1 3.928 0 . 1 . . . . A 31 SER HB2 . 31296 1 206 . 1 . 1 31 31 SER HB3 H 1 3.879 0.006 . 1 . . . . A 31 SER HB3 . 31296 1 207 . 1 . 1 32 32 HIS H H 1 8.028 0.015 . 1 . . . . A 32 HIS H . 31296 1 208 . 1 . 1 32 32 HIS HA H 1 4.526 0.021 . 1 . . . . A 32 HIS HA . 31296 1 209 . 1 . 1 32 32 HIS HB2 H 1 3.415 0.011 . 2 . . . . A 32 HIS HB2 . 31296 1 210 . 1 . 1 32 32 HIS HB3 H 1 3.415 0.011 . 2 . . . . A 32 HIS HB3 . 31296 1 211 . 1 . 1 33 33 VAL H H 1 8.157 0.018 . 1 . . . . A 33 VAL H . 31296 1 212 . 1 . 1 33 33 VAL HA H 1 3.828 0.006 . 1 . . . . A 33 VAL HA . 31296 1 213 . 1 . 1 33 33 VAL HB H 1 2.191 0.014 . 1 . . . . A 33 VAL HB . 31296 1 214 . 1 . 1 33 33 VAL HG11 H 1 1.087 0.001 . 1 . . . . A 33 VAL HG11 . 31296 1 215 . 1 . 1 33 33 VAL HG12 H 1 1.087 0.001 . 1 . . . . A 33 VAL HG12 . 31296 1 216 . 1 . 1 33 33 VAL HG13 H 1 1.087 0.001 . 1 . . . . A 33 VAL HG13 . 31296 1 217 . 1 . 1 33 33 VAL HG21 H 1 0.968 0 . 1 . . . . A 33 VAL HG21 . 31296 1 218 . 1 . 1 33 33 VAL HG22 H 1 0.968 0 . 1 . . . . A 33 VAL HG22 . 31296 1 219 . 1 . 1 33 33 VAL HG23 H 1 0.968 0 . 1 . . . . A 33 VAL HG23 . 31296 1 220 . 1 . 1 34 34 LYS H H 1 8.156 0.009 . 1 . . . . A 34 LYS H . 31296 1 221 . 1 . 1 34 34 LYS HA H 1 4.109 0.02 . 1 . . . . A 34 LYS HA . 31296 1 222 . 1 . 1 34 34 LYS HB2 H 1 2 0.014 . 1 . . . . A 34 LYS HB2 . 31296 1 223 . 1 . 1 34 34 LYS HB3 H 1 1.908 0.012 . 1 . . . . A 34 LYS HB3 . 31296 1 224 . 1 . 1 34 34 LYS HG2 H 1 1.477 0 . 1 . . . . A 34 LYS HG2 . 31296 1 225 . 1 . 1 34 34 LYS HG3 H 1 1.356 0 . 1 . . . . A 34 LYS HG3 . 31296 1 226 . 1 . 1 34 34 LYS HD2 H 1 1.711 0 . 1 . . . . A 34 LYS HD2 . 31296 1 227 . 1 . 1 34 34 LYS HD3 H 1 1.635 0 . 1 . . . . A 34 LYS HD3 . 31296 1 228 . 1 . 1 34 34 LYS HE2 H 1 2.917 0 . 2 . . . . A 34 LYS HE2 . 31296 1 229 . 1 . 1 34 34 LYS HE3 H 1 2.917 0 . 2 . . . . A 34 LYS HE3 . 31296 1 230 . 1 . 1 35 35 ASN H H 1 7.904 0.019 . 1 . . . . A 35 ASN H . 31296 1 231 . 1 . 1 35 35 ASN HA H 1 4.736 0.011 . 1 . . . . A 35 ASN HA . 31296 1 232 . 1 . 1 35 35 ASN HB2 H 1 2.833 0.008 . 2 . . . . A 35 ASN HB2 . 31296 1 233 . 1 . 1 35 35 ASN HB3 H 1 2.833 0.008 . 2 . . . . A 35 ASN HB3 . 31296 1 234 . 1 . 1 35 35 ASN HD21 H 1 7.587 0.007 . 1 . . . . A 35 ASN HD21 . 31296 1 235 . 1 . 1 35 35 ASN HD22 H 1 6.908 0.009 . 1 . . . . A 35 ASN HD22 . 31296 1 236 . 1 . 1 36 36 ARG H H 1 7.885 0.01 . 1 . . . . A 36 ARG H . 31296 1 237 . 1 . 1 36 36 ARG HA H 1 4.232 0.011 . 1 . . . . A 36 ARG HA . 31296 1 238 . 1 . 1 36 36 ARG HB2 H 1 1.977 0.003 . 1 . . . . A 36 ARG HB2 . 31296 1 239 . 1 . 1 36 36 ARG HB3 H 1 1.895 0.02 . 1 . . . . A 36 ARG HB3 . 31296 1 240 . 1 . 1 36 36 ARG HG2 H 1 1.694 0.005 . 2 . . . . A 36 ARG HG2 . 31296 1 241 . 1 . 1 36 36 ARG HG3 H 1 1.694 0.005 . 2 . . . . A 36 ARG HG3 . 31296 1 242 . 1 . 1 36 36 ARG HD2 H 1 3.219 0.005 . 2 . . . . A 36 ARG HD2 . 31296 1 243 . 1 . 1 36 36 ARG HD3 H 1 3.219 0.005 . 2 . . . . A 36 ARG HD3 . 31296 1 244 . 1 . 1 36 36 ARG HE H 1 7.394 0.009 . 1 . . . . A 36 ARG HE . 31296 1 245 . 1 . 1 37 37 ARG H H 1 8.181 0.01 . 1 . . . . A 37 ARG H . 31296 1 246 . 1 . 1 37 37 ARG HA H 1 4.467 0.012 . 1 . . . . A 37 ARG HA . 31296 1 247 . 1 . 1 37 37 ARG HB2 H 1 1.936 0.026 . 2 . . . . A 37 ARG HB2 . 31296 1 248 . 1 . 1 37 37 ARG HB3 H 1 1.936 0.026 . 2 . . . . A 37 ARG HB3 . 31296 1 249 . 1 . 1 37 37 ARG HG2 H 1 1.742 0 . 1 . . . . A 37 ARG HG2 . 31296 1 250 . 1 . 1 37 37 ARG HG3 H 1 1.682 0 . 1 . . . . A 37 ARG HG3 . 31296 1 251 . 1 . 1 37 37 ARG HD2 H 1 3.209 0 . 2 . . . . A 37 ARG HD2 . 31296 1 252 . 1 . 1 37 37 ARG HD3 H 1 3.209 0 . 2 . . . . A 37 ARG HD3 . 31296 1 253 . 1 . 1 37 37 ARG HE H 1 7.374 0 . 1 . . . . A 37 ARG HE . 31296 1 254 . 1 . 1 38 38 ASN H H 1 8.135 0.013 . 1 . . . . A 38 ASN H . 31296 1 255 . 1 . 1 38 38 ASN HA H 1 4.678 0.007 . 1 . . . . A 38 ASN HA . 31296 1 256 . 1 . 1 38 38 ASN HB2 H 1 2.809 0.007 . 2 . . . . A 38 ASN HB2 . 31296 1 257 . 1 . 1 38 38 ASN HB3 H 1 2.809 0.007 . 2 . . . . A 38 ASN HB3 . 31296 1 258 . 1 . 1 38 38 ASN HD21 H 1 7.624 0.003 . 1 . . . . A 38 ASN HD21 . 31296 1 259 . 1 . 1 38 38 ASN HD22 H 1 6.941 0.007 . 1 . . . . A 38 ASN HD22 . 31296 1 stop_ save_