################################### # 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 31295 _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' . . . 31295 1 2 '2D 1H-1H NOESY' . . . 31295 1 3 '2D 1H-1H COSY' . . . 31295 1 4 '2D DQF-COSY' . . . 31295 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 ALA HA H 1 4.296 0.022 . 1 . . . . A 1 ALA HA . 31295 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.518 0.000 . 1 . . . . A 1 ALA HB1 . 31295 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.518 0.000 . 1 . . . . A 1 ALA HB2 . 31295 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.518 0.000 . 1 . . . . A 1 ALA HB3 . 31295 1 5 . 1 . 1 2 2 PRO HA H 1 4.513 0.005 . 1 . . . . A 2 PRO HA . 31295 1 6 . 1 . 1 2 2 PRO HB2 H 1 2.278 0.000 . 2 . . . . A 2 PRO HB2 . 31295 1 7 . 1 . 1 2 2 PRO HB3 H 1 2.278 0.000 . 2 . . . . A 2 PRO HB3 . 31295 1 8 . 1 . 1 2 2 PRO HG2 H 1 2.103 0.000 . 1 . . . . A 2 PRO HG2 . 31295 1 9 . 1 . 1 2 2 PRO HG3 H 1 2.017 0.000 . 1 . . . . A 2 PRO HG3 . 31295 1 10 . 1 . 1 2 2 PRO HD2 H 1 3.729 0.000 . 1 . . . . A 2 PRO HD2 . 31295 1 11 . 1 . 1 2 2 PRO HD3 H 1 3.634 0.000 . 1 . . . . A 2 PRO HD3 . 31295 1 12 . 1 . 1 3 3 GLU H H 1 8.602 0.003 . 1 . . . . A 3 GLU H . 31295 1 13 . 1 . 1 3 3 GLU HA H 1 4.731 0.003 . 1 . . . . A 3 GLU HA . 31295 1 14 . 1 . 1 3 3 GLU HB2 H 1 2.189 0.000 . 2 . . . . A 3 GLU HB2 . 31295 1 15 . 1 . 1 3 3 GLU HB3 H 1 2.189 0.000 . 2 . . . . A 3 GLU HB3 . 31295 1 16 . 1 . 1 3 3 GLU HG2 H 1 2.564 0.000 . 1 . . . . A 3 GLU HG2 . 31295 1 17 . 1 . 1 3 3 GLU HG3 H 1 2.485 0.000 . 1 . . . . A 3 GLU HG3 . 31295 1 18 . 1 . 1 4 4 PRO HA H 1 4.316 0.002 . 1 . . . . A 4 PRO HA . 31295 1 19 . 1 . 1 4 4 PRO HB2 H 1 2.346 0.006 . 2 . . . . A 4 PRO HB2 . 31295 1 20 . 1 . 1 4 4 PRO HB3 H 1 2.346 0.006 . 2 . . . . A 4 PRO HB3 . 31295 1 21 . 1 . 1 4 4 PRO HG2 H 1 2.138 0.000 . 2 . . . . A 4 PRO HG2 . 31295 1 22 . 1 . 1 4 4 PRO HG3 H 1 2.138 0.000 . 2 . . . . A 4 PRO HG3 . 31295 1 23 . 1 . 1 4 4 PRO HD2 H 1 3.828 0.000 . 2 . . . . A 4 PRO HD2 . 31295 1 24 . 1 . 1 4 4 PRO HD3 H 1 3.828 0.000 . 2 . . . . A 4 PRO HD3 . 31295 1 25 . 1 . 1 5 5 GLY H H 1 8.817 0.010 . 1 . . . . A 5 GLY H . 31295 1 26 . 1 . 1 5 5 GLY HA2 H 1 3.919 0.004 . 2 . . . . A 5 GLY HA2 . 31295 1 27 . 1 . 1 5 5 GLY HA3 H 1 3.919 0.004 . 2 . . . . A 5 GLY HA3 . 31295 1 28 . 1 . 1 6 6 ARG H H 1 8.017 0.010 . 1 . . . . A 6 ARG H . 31295 1 29 . 1 . 1 6 6 ARG HA H 1 4.106 0.024 . 1 . . . . A 6 ARG HA . 31295 1 30 . 1 . 1 6 6 ARG HB2 H 1 1.979 0.009 . 2 . . . . A 6 ARG HB2 . 31295 1 31 . 1 . 1 6 6 ARG HB3 H 1 1.979 0.009 . 2 . . . . A 6 ARG HB3 . 31295 1 32 . 1 . 1 6 6 ARG HG2 H 1 1.794 0.000 . 1 . . . . A 6 ARG HG2 . 31295 1 33 . 1 . 1 6 6 ARG HG3 H 1 1.703 0.000 . 1 . . . . A 6 ARG HG3 . 31295 1 34 . 1 . 1 6 6 ARG HD2 H 1 3.292 0.000 . 2 . . . . A 6 ARG HD2 . 31295 1 35 . 1 . 1 6 6 ARG HD3 H 1 3.292 0.000 . 2 . . . . A 6 ARG HD3 . 31295 1 36 . 1 . 1 7 7 LEU H H 1 8.057 0.010 . 1 . . . . A 7 LEU H . 31295 1 37 . 1 . 1 7 7 LEU HA H 1 4.129 0.024 . 1 . . . . A 7 LEU HA . 31295 1 38 . 1 . 1 7 7 LEU HB2 H 1 1.824 0.008 . 2 . . . . A 7 LEU HB2 . 31295 1 39 . 1 . 1 7 7 LEU HB3 H 1 1.824 0.008 . 2 . . . . A 7 LEU HB3 . 31295 1 40 . 1 . 1 7 7 LEU HG H 1 1.714 0.000 . 1 . . . . A 7 LEU HG . 31295 1 41 . 1 . 1 8 8 SER H H 1 8.167 0.007 . 1 . . . . A 8 SER H . 31295 1 42 . 1 . 1 8 8 SER HA H 1 4.107 0.033 . 1 . . . . A 8 SER HA . 31295 1 43 . 1 . 1 8 8 SER HB2 H 1 3.987 0.001 . 2 . . . . A 8 SER HB2 . 31295 1 44 . 1 . 1 8 8 SER HB3 H 1 3.987 0.001 . 2 . . . . A 8 SER HB3 . 31295 1 45 . 1 . 1 9 9 ALA H H 1 8.421 0.015 . 1 . . . . A 9 ALA H . 31295 1 46 . 1 . 1 9 9 ALA HA H 1 3.914 0.002 . 1 . . . . A 9 ALA HA . 31295 1 47 . 1 . 1 9 9 ALA HB1 H 1 1.536 0.018 . 1 . . . . A 9 ALA HB1 . 31295 1 48 . 1 . 1 9 9 ALA HB2 H 1 1.536 0.018 . 1 . . . . A 9 ALA HB2 . 31295 1 49 . 1 . 1 9 9 ALA HB3 H 1 1.536 0.018 . 1 . . . . A 9 ALA HB3 . 31295 1 50 . 1 . 1 10 10 ILE H H 1 8.029 0.003 . 1 . . . . A 10 ILE H . 31295 1 51 . 1 . 1 10 10 ILE HA H 1 4.033 0.029 . 1 . . . . A 10 ILE HA . 31295 1 52 . 1 . 1 11 11 LYS H H 1 8.484 0.007 . 1 . . . . A 11 LYS H . 31295 1 53 . 1 . 1 11 11 LYS HA H 1 3.979 0.002 . 1 . . . . A 11 LYS HA . 31295 1 54 . 1 . 1 11 11 LYS HB2 H 1 2.008 0.022 . 1 . . . . A 11 LYS HB2 . 31295 1 55 . 1 . 1 11 11 LYS HB3 H 1 1.907 0.013 . 1 . . . . A 11 LYS HB3 . 31295 1 56 . 1 . 1 11 11 LYS HG2 H 1 1.448 0.000 . 1 . . . . A 11 LYS HG2 . 31295 1 57 . 1 . 1 11 11 LYS HG3 H 1 1.223 0.000 . 1 . . . . A 11 LYS HG3 . 31295 1 58 . 1 . 1 11 11 LYS HD2 H 1 1.682 0.000 . 2 . . . . A 11 LYS HD2 . 31295 1 59 . 1 . 1 11 11 LYS HD3 H 1 1.682 0.000 . 2 . . . . A 11 LYS HD3 . 31295 1 60 . 1 . 1 11 11 LYS HE2 H 1 2.916 0.000 . 2 . . . . A 11 LYS HE2 . 31295 1 61 . 1 . 1 11 11 LYS HE3 H 1 2.916 0.000 . 2 . . . . A 11 LYS HE3 . 31295 1 62 . 1 . 1 12 12 LYS H H 1 8.211 0.005 . 1 . . . . A 12 LYS H . 31295 1 63 . 1 . 1 12 12 LYS HA H 1 4.066 0.024 . 1 . . . . A 12 LYS HA . 31295 1 64 . 1 . 1 12 12 LYS HB2 H 1 1.916 0.000 . 2 . . . . A 12 LYS HB2 . 31295 1 65 . 1 . 1 12 12 LYS HB3 H 1 1.916 0.000 . 2 . . . . A 12 LYS HB3 . 31295 1 66 . 1 . 1 12 12 LYS HG2 H 1 1.479 0.000 . 2 . . . . A 12 LYS HG2 . 31295 1 67 . 1 . 1 12 12 LYS HG3 H 1 1.479 0.000 . 2 . . . . A 12 LYS HG3 . 31295 1 68 . 1 . 1 12 12 LYS HD2 H 1 1.716 0.000 . 2 . . . . A 12 LYS HD2 . 31295 1 69 . 1 . 1 12 12 LYS HD3 H 1 1.716 0.000 . 2 . . . . A 12 LYS HD3 . 31295 1 70 . 1 . 1 12 12 LYS HE2 H 1 2.925 0.000 . 2 . . . . A 12 LYS HE2 . 31295 1 71 . 1 . 1 12 12 LYS HE3 H 1 2.925 0.000 . 2 . . . . A 12 LYS HE3 . 31295 1 72 . 1 . 1 13 13 GLY H H 1 8.588 0.007 . 1 . . . . A 13 GLY H . 31295 1 73 . 1 . 1 13 13 GLY HA2 H 1 3.937 0.023 . 2 . . . . A 13 GLY HA2 . 31295 1 74 . 1 . 1 13 13 GLY HA3 H 1 3.937 0.023 . 2 . . . . A 13 GLY HA3 . 31295 1 75 . 1 . 1 14 14 GLY H H 1 8.583 0.002 . 1 . . . . A 14 GLY H . 31295 1 76 . 1 . 1 14 14 GLY HA2 H 1 3.921 0.020 . 2 . . . . A 14 GLY HA2 . 31295 1 77 . 1 . 1 14 14 GLY HA3 H 1 3.921 0.020 . 2 . . . . A 14 GLY HA3 . 31295 1 78 . 1 . 1 15 15 LYS H H 1 8.349 0.017 . 1 . . . . A 15 LYS H . 31295 1 79 . 1 . 1 15 15 LYS HA H 1 3.957 0.027 . 1 . . . . A 15 LYS HA . 31295 1 80 . 1 . 1 15 15 LYS HB2 H 1 2.024 0.003 . 1 . . . . A 15 LYS HB2 . 31295 1 81 . 1 . 1 15 15 LYS HB3 H 1 1.932 0.000 . 1 . . . . A 15 LYS HB3 . 31295 1 82 . 1 . 1 15 15 LYS HG2 H 1 1.466 0.000 . 2 . . . . A 15 LYS HG2 . 31295 1 83 . 1 . 1 15 15 LYS HG3 H 1 1.466 0.000 . 2 . . . . A 15 LYS HG3 . 31295 1 84 . 1 . 1 15 15 LYS HD2 H 1 1.683 0.000 . 2 . . . . A 15 LYS HD2 . 31295 1 85 . 1 . 1 15 15 LYS HD3 H 1 1.683 0.000 . 2 . . . . A 15 LYS HD3 . 31295 1 86 . 1 . 1 15 15 LYS HE2 H 1 2.936 0.000 . 2 . . . . A 15 LYS HE2 . 31295 1 87 . 1 . 1 15 15 LYS HE3 H 1 2.936 0.000 . 2 . . . . A 15 LYS HE3 . 31295 1 88 . 1 . 1 16 16 ILE H H 1 8.276 0.012 . 1 . . . . A 16 ILE H . 31295 1 89 . 1 . 1 16 16 ILE HA H 1 3.792 0.025 . 1 . . . . A 16 ILE HA . 31295 1 90 . 1 . 1 16 16 ILE HB H 1 2.022 0.006 . 1 . . . . A 16 ILE HB . 31295 1 91 . 1 . 1 16 16 ILE HG12 H 1 1.237 0.000 . 2 . . . . A 16 ILE HG12 . 31295 1 92 . 1 . 1 16 16 ILE HG13 H 1 1.237 0.000 . 2 . . . . A 16 ILE HG13 . 31295 1 93 . 1 . 1 16 16 ILE HD11 H 1 0.938 0.000 . 1 . . . . A 16 ILE HD11 . 31295 1 94 . 1 . 1 16 16 ILE HD12 H 1 0.938 0.000 . 1 . . . . A 16 ILE HD12 . 31295 1 95 . 1 . 1 16 16 ILE HD13 H 1 0.938 0.000 . 1 . . . . A 16 ILE HD13 . 31295 1 96 . 1 . 1 17 17 ILE H H 1 8.051 0.009 . 1 . . . . A 17 ILE H . 31295 1 97 . 1 . 1 17 17 ILE HA H 1 3.669 0.003 . 1 . . . . A 17 ILE HA . 31295 1 98 . 1 . 1 17 17 ILE HB H 1 2.152 0.009 . 1 . . . . A 17 ILE HB . 31295 1 99 . 1 . 1 17 17 ILE HG12 H 1 1.178 0.000 . 2 . . . . A 17 ILE HG12 . 31295 1 100 . 1 . 1 17 17 ILE HG13 H 1 1.178 0.000 . 2 . . . . A 17 ILE HG13 . 31295 1 101 . 1 . 1 17 17 ILE HD11 H 1 0.962 0.000 . 1 . . . . A 17 ILE HD11 . 31295 1 102 . 1 . 1 17 17 ILE HD12 H 1 0.962 0.000 . 1 . . . . A 17 ILE HD12 . 31295 1 103 . 1 . 1 17 17 ILE HD13 H 1 0.962 0.000 . 1 . . . . A 17 ILE HD13 . 31295 1 104 . 1 . 1 18 18 LYS H H 1 8.029 0.008 . 1 . . . . A 18 LYS H . 31295 1 105 . 1 . 1 18 18 LYS HA H 1 4.019 0.003 . 1 . . . . A 18 LYS HA . 31295 1 106 . 1 . 1 18 18 LYS HB2 H 1 2.117 0.001 . 2 . . . . A 18 LYS HB2 . 31295 1 107 . 1 . 1 18 18 LYS HB3 H 1 2.117 0.001 . 2 . . . . A 18 LYS HB3 . 31295 1 108 . 1 . 1 18 18 LYS HG2 H 1 1.564 0.000 . 1 . . . . A 18 LYS HG2 . 31295 1 109 . 1 . 1 18 18 LYS HG3 H 1 1.506 0.000 . 1 . . . . A 18 LYS HG3 . 31295 1 110 . 1 . 1 18 18 LYS HD2 H 1 1.737 0.000 . 2 . . . . A 18 LYS HD2 . 31295 1 111 . 1 . 1 18 18 LYS HD3 H 1 1.737 0.000 . 2 . . . . A 18 LYS HD3 . 31295 1 112 . 1 . 1 18 18 LYS HE2 H 1 2.965 0.000 . 2 . . . . A 18 LYS HE2 . 31295 1 113 . 1 . 1 18 18 LYS HE3 H 1 2.965 0.000 . 2 . . . . A 18 LYS HE3 . 31295 1 114 . 1 . 1 19 19 LYS H H 1 8.382 0.010 . 1 . . . . A 19 LYS H . 31295 1 115 . 1 . 1 19 19 LYS HA H 1 4.112 0.006 . 1 . . . . A 19 LYS HA . 31295 1 116 . 1 . 1 19 19 LYS HB2 H 1 2.030 0.007 . 2 . . . . A 19 LYS HB2 . 31295 1 117 . 1 . 1 19 19 LYS HB3 H 1 2.030 0.007 . 2 . . . . A 19 LYS HB3 . 31295 1 118 . 1 . 1 19 19 LYS HG2 H 1 1.635 0.000 . 1 . . . . A 19 LYS HG2 . 31295 1 119 . 1 . 1 19 19 LYS HG3 H 1 1.495 0.000 . 1 . . . . A 19 LYS HG3 . 31295 1 120 . 1 . 1 19 19 LYS HD2 H 1 1.760 0.000 . 1 . . . . A 19 LYS HD2 . 31295 1 121 . 1 . 1 19 19 LYS HD3 H 1 1.687 0.000 . 1 . . . . A 19 LYS HD3 . 31295 1 122 . 1 . 1 19 19 LYS HE2 H 1 2.915 0.000 . 2 . . . . A 19 LYS HE2 . 31295 1 123 . 1 . 1 19 19 LYS HE3 H 1 2.915 0.000 . 2 . . . . A 19 LYS HE3 . 31295 1 124 . 1 . 1 20 20 GLY H H 1 8.448 0.029 . 1 . . . . A 20 GLY H . 31295 1 125 . 1 . 1 20 20 GLY HA2 H 1 3.833 0.029 . 2 . . . . A 20 GLY HA2 . 31295 1 126 . 1 . 1 20 20 GLY HA3 H 1 3.833 0.029 . 2 . . . . A 20 GLY HA3 . 31295 1 127 . 1 . 1 21 21 LEU H H 1 8.085 0.027 . 1 . . . . A 21 LEU H . 31295 1 128 . 1 . 1 21 21 LEU HA H 1 3.800 0.008 . 1 . . . . A 21 LEU HA . 31295 1 129 . 1 . 1 21 21 LEU HB2 H 1 2.031 0.022 . 2 . . . . A 21 LEU HB2 . 31295 1 130 . 1 . 1 21 21 LEU HB3 H 1 2.031 0.022 . 2 . . . . A 21 LEU HB3 . 31295 1 131 . 1 . 1 21 21 LEU HG H 1 0.958 0.000 . 1 . . . . A 21 LEU HG . 31295 1 132 . 1 . 1 21 21 LEU HD11 H 1 1.203 0.000 . 1 . . . . A 21 LEU HD11 . 31295 1 133 . 1 . 1 21 21 LEU HD12 H 1 1.203 0.000 . 1 . . . . A 21 LEU HD12 . 31295 1 134 . 1 . 1 21 21 LEU HD13 H 1 1.203 0.000 . 1 . . . . A 21 LEU HD13 . 31295 1 135 . 1 . 1 22 22 GLY H H 1 8.587 0.004 . 1 . . . . A 22 GLY H . 31295 1 136 . 1 . 1 22 22 GLY HA2 H 1 3.812 0.008 . 2 . . . . A 22 GLY HA2 . 31295 1 137 . 1 . 1 22 22 GLY HA3 H 1 3.812 0.008 . 2 . . . . A 22 GLY HA3 . 31295 1 138 . 1 . 1 23 23 VAL H H 1 8.291 0.004 . 1 . . . . A 23 VAL H . 31295 1 139 . 1 . 1 23 23 VAL HA H 1 3.708 0.030 . 1 . . . . A 23 VAL HA . 31295 1 140 . 1 . 1 23 23 VAL HB H 1 2.380 0.004 . 1 . . . . A 23 VAL HB . 31295 1 141 . 1 . 1 23 23 VAL HG11 H 1 1.158 0.000 . 1 . . . . A 23 VAL HG11 . 31295 1 142 . 1 . 1 23 23 VAL HG12 H 1 1.158 0.000 . 1 . . . . A 23 VAL HG12 . 31295 1 143 . 1 . 1 23 23 VAL HG13 H 1 1.158 0.000 . 1 . . . . A 23 VAL HG13 . 31295 1 144 . 1 . 1 23 23 VAL HG21 H 1 1.005 0.000 . 1 . . . . A 23 VAL HG21 . 31295 1 145 . 1 . 1 23 23 VAL HG22 H 1 1.005 0.000 . 1 . . . . A 23 VAL HG22 . 31295 1 146 . 1 . 1 23 23 VAL HG23 H 1 1.005 0.000 . 1 . . . . A 23 VAL HG23 . 31295 1 147 . 1 . 1 24 24 ILE H H 1 8.202 0.006 . 1 . . . . A 24 ILE H . 31295 1 148 . 1 . 1 24 24 ILE HA H 1 3.729 0.014 . 1 . . . . A 24 ILE HA . 31295 1 149 . 1 . 1 24 24 ILE HB H 1 2.026 0.000 . 1 . . . . A 24 ILE HB . 31295 1 150 . 1 . 1 24 24 ILE HG12 H 1 1.238 0.000 . 2 . . . . A 24 ILE HG12 . 31295 1 151 . 1 . 1 24 24 ILE HG13 H 1 1.238 0.000 . 2 . . . . A 24 ILE HG13 . 31295 1 152 . 1 . 1 24 24 ILE HD11 H 1 0.974 0.000 . 1 . . . . A 24 ILE HD11 . 31295 1 153 . 1 . 1 24 24 ILE HD12 H 1 0.974 0.000 . 1 . . . . A 24 ILE HD12 . 31295 1 154 . 1 . 1 24 24 ILE HD13 H 1 0.974 0.000 . 1 . . . . A 24 ILE HD13 . 31295 1 155 . 1 . 1 25 25 SER H H 1 8.468 0.016 . 1 . . . . A 25 SER H . 31295 1 156 . 1 . 1 25 25 SER HA H 1 4.240 0.008 . 1 . . . . A 25 SER HA . 31295 1 157 . 1 . 1 25 25 SER HB2 H 1 4.091 0.000 . 2 . . . . A 25 SER HB2 . 31295 1 158 . 1 . 1 25 25 SER HB3 H 1 4.091 0.000 . 2 . . . . A 25 SER HB3 . 31295 1 159 . 1 . 1 26 26 ALA H H 1 8.606 0.008 . 1 . . . . A 26 ALA H . 31295 1 160 . 1 . 1 26 26 ALA HA H 1 4.165 0.008 . 1 . . . . A 26 ALA HA . 31295 1 161 . 1 . 1 26 26 ALA HB1 H 1 1.539 0.007 . 1 . . . . A 26 ALA HB1 . 31295 1 162 . 1 . 1 26 26 ALA HB2 H 1 1.539 0.007 . 1 . . . . A 26 ALA HB2 . 31295 1 163 . 1 . 1 26 26 ALA HB3 H 1 1.539 0.007 . 1 . . . . A 26 ALA HB3 . 31295 1 164 . 1 . 1 27 27 ALA H H 1 8.604 0.004 . 1 . . . . A 27 ALA H . 31295 1 165 . 1 . 1 27 27 ALA HA H 1 4.090 0.005 . 1 . . . . A 27 ALA HA . 31295 1 166 . 1 . 1 27 27 ALA HB1 H 1 2.020 0.016 . 1 . . . . A 27 ALA HB1 . 31295 1 167 . 1 . 1 27 27 ALA HB2 H 1 2.020 0.016 . 1 . . . . A 27 ALA HB2 . 31295 1 168 . 1 . 1 27 27 ALA HB3 H 1 2.020 0.016 . 1 . . . . A 27 ALA HB3 . 31295 1 169 . 1 . 1 28 28 GLY H H 1 8.801 0.009 . 1 . . . . A 28 GLY H . 31295 1 170 . 1 . 1 28 28 GLY HA2 H 1 3.982 0.007 . 2 . . . . A 28 GLY HA2 . 31295 1 171 . 1 . 1 28 28 GLY HA3 H 1 3.982 0.007 . 2 . . . . A 28 GLY HA3 . 31295 1 172 . 1 . 1 29 29 THR H H 1 8.489 0.005 . 1 . . . . A 29 THR H . 31295 1 173 . 1 . 1 29 29 THR HA H 1 4.044 0.011 . 1 . . . . A 29 THR HA . 31295 1 174 . 1 . 1 29 29 THR HB H 1 4.335 0.000 . 1 . . . . A 29 THR HB . 31295 1 175 . 1 . 1 29 29 THR HG21 H 1 1.573 0.000 . 1 . . . . A 29 THR HG21 . 31295 1 176 . 1 . 1 29 29 THR HG22 H 1 1.573 0.000 . 1 . . . . A 29 THR HG22 . 31295 1 177 . 1 . 1 29 29 THR HG23 H 1 1.573 0.000 . 1 . . . . A 29 THR HG23 . 31295 1 178 . 1 . 1 30 30 ALA H H 1 8.490 0.004 . 1 . . . . A 30 ALA H . 31295 1 179 . 1 . 1 30 30 ALA HA H 1 3.966 0.014 . 1 . . . . A 30 ALA HA . 31295 1 180 . 1 . 1 30 30 ALA HB1 H 1 1.570 0.005 . 1 . . . . A 30 ALA HB1 . 31295 1 181 . 1 . 1 30 30 ALA HB2 H 1 1.570 0.005 . 1 . . . . A 30 ALA HB2 . 31295 1 182 . 1 . 1 30 30 ALA HB3 H 1 1.570 0.005 . 1 . . . . A 30 ALA HB3 . 31295 1 183 . 1 . 1 31 31 HIS H H 1 8.494 0.002 . 1 . . . . A 31 HIS H . 31295 1 184 . 1 . 1 31 31 HIS HA H 1 4.426 0.003 . 1 . . . . A 31 HIS HA . 31295 1 185 . 1 . 1 31 31 HIS HB2 H 1 3.510 0.004 . 2 . . . . A 31 HIS HB2 . 31295 1 186 . 1 . 1 31 31 HIS HB3 H 1 3.510 0.004 . 2 . . . . A 31 HIS HB3 . 31295 1 187 . 1 . 1 32 32 GLU H H 1 8.438 0.003 . 1 . . . . A 32 GLU H . 31295 1 188 . 1 . 1 32 32 GLU HA H 1 4.091 0.000 . 1 . . . . A 32 GLU HA . 31295 1 189 . 1 . 1 32 32 GLU HB2 H 1 2.420 0.004 . 1 . . . . A 32 GLU HB2 . 31295 1 190 . 1 . 1 32 32 GLU HB3 H 1 2.219 0.012 . 1 . . . . A 32 GLU HB3 . 31295 1 191 . 1 . 1 32 32 GLU HG2 H 1 2.626 0.000 . 1 . . . . A 32 GLU HG2 . 31295 1 192 . 1 . 1 32 32 GLU HG3 H 1 2.514 0.000 . 1 . . . . A 32 GLU HG3 . 31295 1 193 . 1 . 1 33 33 VAL H H 1 8.591 0.003 . 1 . . . . A 33 VAL H . 31295 1 194 . 1 . 1 33 33 VAL HA H 1 3.637 0.008 . 1 . . . . A 33 VAL HA . 31295 1 195 . 1 . 1 33 33 VAL HB H 1 2.209 0.017 . 1 . . . . A 33 VAL HB . 31295 1 196 . 1 . 1 33 33 VAL HG11 H 1 1.096 0.000 . 1 . . . . A 33 VAL HG11 . 31295 1 197 . 1 . 1 33 33 VAL HG12 H 1 1.096 0.000 . 1 . . . . A 33 VAL HG12 . 31295 1 198 . 1 . 1 33 33 VAL HG13 H 1 1.096 0.000 . 1 . . . . A 33 VAL HG13 . 31295 1 199 . 1 . 1 33 33 VAL HG21 H 1 0.900 0.000 . 1 . . . . A 33 VAL HG21 . 31295 1 200 . 1 . 1 33 33 VAL HG22 H 1 0.900 0.000 . 1 . . . . A 33 VAL HG22 . 31295 1 201 . 1 . 1 33 33 VAL HG23 H 1 0.900 0.000 . 1 . . . . A 33 VAL HG23 . 31295 1 202 . 1 . 1 34 34 TYR H H 1 8.499 0.007 . 1 . . . . A 34 TYR H . 31295 1 203 . 1 . 1 34 34 TYR HA H 1 4.175 0.020 . 1 . . . . A 34 TYR HA . 31295 1 204 . 1 . 1 34 34 TYR HB2 H 1 3.138 0.004 . 2 . . . . A 34 TYR HB2 . 31295 1 205 . 1 . 1 34 34 TYR HB3 H 1 3.138 0.004 . 2 . . . . A 34 TYR HB3 . 31295 1 206 . 1 . 1 35 35 SER H H 1 8.289 0.002 . 1 . . . . A 35 SER H . 31295 1 207 . 1 . 1 35 35 SER HA H 1 4.014 0.014 . 1 . . . . A 35 SER HA . 31295 1 208 . 1 . 1 35 35 SER HB2 H 1 3.923 0.000 . 1 . . . . A 35 SER HB2 . 31295 1 209 . 1 . 1 35 35 SER HB3 H 1 3.882 0.000 . 1 . . . . A 35 SER HB3 . 31295 1 210 . 1 . 1 36 36 HIS H H 1 8.040 0.002 . 1 . . . . A 36 HIS H . 31295 1 211 . 1 . 1 36 36 HIS HA H 1 4.522 0.007 . 1 . . . . A 36 HIS HA . 31295 1 212 . 1 . 1 36 36 HIS HB2 H 1 3.405 0.003 . 2 . . . . A 36 HIS HB2 . 31295 1 213 . 1 . 1 36 36 HIS HB3 H 1 3.405 0.003 . 2 . . . . A 36 HIS HB3 . 31295 1 214 . 1 . 1 37 37 VAL H H 1 8.165 0.008 . 1 . . . . A 37 VAL H . 31295 1 215 . 1 . 1 37 37 VAL HA H 1 3.818 0.008 . 1 . . . . A 37 VAL HA . 31295 1 216 . 1 . 1 37 37 VAL HB H 1 2.194 0.012 . 1 . . . . A 37 VAL HB . 31295 1 217 . 1 . 1 37 37 VAL HG11 H 1 1.074 0.000 . 1 . . . . A 37 VAL HG11 . 31295 1 218 . 1 . 1 37 37 VAL HG12 H 1 1.074 0.000 . 1 . . . . A 37 VAL HG12 . 31295 1 219 . 1 . 1 37 37 VAL HG13 H 1 1.074 0.000 . 1 . . . . A 37 VAL HG13 . 31295 1 220 . 1 . 1 37 37 VAL HG21 H 1 0.960 0.000 . 1 . . . . A 37 VAL HG21 . 31295 1 221 . 1 . 1 37 37 VAL HG22 H 1 0.960 0.000 . 1 . . . . A 37 VAL HG22 . 31295 1 222 . 1 . 1 37 37 VAL HG23 H 1 0.960 0.000 . 1 . . . . A 37 VAL HG23 . 31295 1 223 . 1 . 1 38 38 LYS H H 1 8.173 0.005 . 1 . . . . A 38 LYS H . 31295 1 224 . 1 . 1 38 38 LYS HA H 1 4.085 0.006 . 1 . . . . A 38 LYS HA . 31295 1 225 . 1 . 1 38 38 LYS HB2 H 1 1.708 0.016 . 1 . . . . A 38 LYS HB2 . 31295 1 226 . 1 . 1 38 38 LYS HB3 H 1 1.635 0.005 . 1 . . . . A 38 LYS HB3 . 31295 1 227 . 1 . 1 38 38 LYS HG2 H 1 1.347 0.000 . 2 . . . . A 38 LYS HG2 . 31295 1 228 . 1 . 1 38 38 LYS HG3 H 1 1.347 0.000 . 2 . . . . A 38 LYS HG3 . 31295 1 229 . 1 . 1 38 38 LYS HE2 H 1 2.908 0.000 . 2 . . . . A 38 LYS HE2 . 31295 1 230 . 1 . 1 38 38 LYS HE3 H 1 2.908 0.000 . 2 . . . . A 38 LYS HE3 . 31295 1 231 . 1 . 1 39 39 ASN H H 1 7.908 0.011 . 1 . . . . A 39 ASN H . 31295 1 232 . 1 . 1 39 39 ASN HA H 1 4.713 0.017 . 1 . . . . A 39 ASN HA . 31295 1 233 . 1 . 1 39 39 ASN HB2 H 1 2.826 0.006 . 2 . . . . A 39 ASN HB2 . 31295 1 234 . 1 . 1 39 39 ASN HB3 H 1 2.826 0.006 . 2 . . . . A 39 ASN HB3 . 31295 1 235 . 1 . 1 40 40 ARG H H 1 7.888 0.005 . 1 . . . . A 40 ARG H . 31295 1 236 . 1 . 1 40 40 ARG HA H 1 4.221 0.001 . 1 . . . . A 40 ARG HA . 31295 1 237 . 1 . 1 40 40 ARG HB2 H 1 1.969 0.000 . 1 . . . . A 40 ARG HB2 . 31295 1 238 . 1 . 1 40 40 ARG HB3 H 1 1.894 0.018 . 1 . . . . A 40 ARG HB3 . 31295 1 239 . 1 . 1 40 40 ARG HG2 H 1 1.686 0.000 . 2 . . . . A 40 ARG HG2 . 31295 1 240 . 1 . 1 40 40 ARG HG3 H 1 1.686 0.000 . 2 . . . . A 40 ARG HG3 . 31295 1 241 . 1 . 1 40 40 ARG HD2 H 1 3.217 0.000 . 2 . . . . A 40 ARG HD2 . 31295 1 242 . 1 . 1 40 40 ARG HD3 H 1 3.217 0.000 . 2 . . . . A 40 ARG HD3 . 31295 1 243 . 1 . 1 40 40 ARG HE H 1 7.407 0.000 . 1 . . . . A 40 ARG HE . 31295 1 244 . 1 . 1 41 41 ARG H H 1 8.191 0.008 . 1 . . . . A 41 ARG H . 31295 1 245 . 1 . 1 41 41 ARG HA H 1 4.458 0.005 . 1 . . . . A 41 ARG HA . 31295 1 246 . 1 . 1 41 41 ARG HB2 H 1 1.948 0.000 . 2 . . . . A 41 ARG HB2 . 31295 1 247 . 1 . 1 41 41 ARG HB3 H 1 1.948 0.000 . 2 . . . . A 41 ARG HB3 . 31295 1 248 . 1 . 1 41 41 ARG HG2 H 1 1.734 0.000 . 1 . . . . A 41 ARG HG2 . 31295 1 249 . 1 . 1 41 41 ARG HG3 H 1 1.671 0.000 . 1 . . . . A 41 ARG HG3 . 31295 1 250 . 1 . 1 41 41 ARG HD2 H 1 3.200 0.000 . 2 . . . . A 41 ARG HD2 . 31295 1 251 . 1 . 1 41 41 ARG HD3 H 1 3.200 0.000 . 2 . . . . A 41 ARG HD3 . 31295 1 252 . 1 . 1 41 41 ARG HE H 1 7.397 0.000 . 1 . . . . A 41 ARG HE . 31295 1 253 . 1 . 1 42 42 ASN H H 1 8.143 0.004 . 1 . . . . A 42 ASN H . 31295 1 254 . 1 . 1 42 42 ASN HA H 1 4.695 0.003 . 1 . . . . A 42 ASN HA . 31295 1 255 . 1 . 1 42 42 ASN HB2 H 1 2.801 0.009 . 2 . . . . A 42 ASN HB2 . 31295 1 256 . 1 . 1 42 42 ASN HB3 H 1 2.801 0.009 . 2 . . . . A 42 ASN HB3 . 31295 1 stop_ save_