################################### # 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 30987 _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' . . . 30987 1 2 '2D 1H-1H NOESY' . . . 30987 1 3 '2D 1H-1H COSY' . . . 30987 1 4 '2D DQF-COSY' . . . 30987 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 3.857 0.000 . 1 . . . . A 1 GLY HA2 . 30987 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.857 0.000 . 1 . . . . A 1 GLY HA3 . 30987 1 3 . 1 . 1 2 2 LEU H H 1 8.600 0.001 . 1 . . . . A 2 LEU H . 30987 1 4 . 1 . 1 2 2 LEU HA H 1 4.648 0.002 . 1 . . . . A 2 LEU HA . 30987 1 5 . 1 . 1 2 2 LEU HB2 H 1 1.423 0.004 . 2 . . . . A 2 LEU HB2 . 30987 1 6 . 1 . 1 2 2 LEU HB3 H 1 1.590 0.000 . 2 . . . . A 2 LEU HB3 . 30987 1 7 . 1 . 1 2 2 LEU HG H 1 1.719 0.000 . 1 . . . . A 2 LEU HG . 30987 1 8 . 1 . 1 2 2 LEU HD11 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD11 . 30987 1 9 . 1 . 1 2 2 LEU HD12 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD12 . 30987 1 10 . 1 . 1 2 2 LEU HD13 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD13 . 30987 1 11 . 1 . 1 2 2 LEU HD21 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD21 . 30987 1 12 . 1 . 1 2 2 LEU HD22 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD22 . 30987 1 13 . 1 . 1 2 2 LEU HD23 H 1 0.934 0.000 . 1 . . . . A 2 LEU HD23 . 30987 1 14 . 1 . 1 3 3 PRO HA H 1 4.498 0.000 . 1 . . . . A 3 PRO HA . 30987 1 15 . 1 . 1 3 3 PRO HB2 H 1 1.905 0.000 . 2 . . . . A 3 PRO HB2 . 30987 1 16 . 1 . 1 3 3 PRO HB3 H 1 2.450 0.002 . 2 . . . . A 3 PRO HB3 . 30987 1 17 . 1 . 1 3 3 PRO HG2 H 1 2.109 0.001 . 1 . . . . A 3 PRO HG2 . 30987 1 18 . 1 . 1 3 3 PRO HG3 H 1 2.109 0.001 . 1 . . . . A 3 PRO HG3 . 30987 1 19 . 1 . 1 3 3 PRO HD2 H 1 3.558 0.001 . 2 . . . . A 3 PRO HD2 . 30987 1 20 . 1 . 1 3 3 PRO HD3 H 1 4.003 0.000 . 2 . . . . A 3 PRO HD3 . 30987 1 21 . 1 . 1 4 4 ARG H H 1 8.693 0.001 . 1 . . . . A 4 ARG H . 30987 1 22 . 1 . 1 4 4 ARG HA H 1 4.002 0.000 . 1 . . . . A 4 ARG HA . 30987 1 23 . 1 . 1 4 4 ARG HB2 H 1 1.815 0.000 . 2 . . . . A 4 ARG HB2 . 30987 1 24 . 1 . 1 4 4 ARG HB3 H 1 1.915 0.001 . 2 . . . . A 4 ARG HB3 . 30987 1 25 . 1 . 1 4 4 ARG HG2 H 1 1.683 0.004 . 1 . . . . A 4 ARG HG2 . 30987 1 26 . 1 . 1 4 4 ARG HG3 H 1 1.683 0.004 . 1 . . . . A 4 ARG HG3 . 30987 1 27 . 1 . 1 4 4 ARG HD2 H 1 3.206 0.001 . 1 . . . . A 4 ARG HD2 . 30987 1 28 . 1 . 1 4 4 ARG HD3 H 1 3.206 0.001 . 1 . . . . A 4 ARG HD3 . 30987 1 29 . 1 . 1 4 4 ARG HE H 1 7.254 0.000 . 1 . . . . A 4 ARG HE . 30987 1 30 . 1 . 1 5 5 LYS H H 1 8.645 0.001 . 1 . . . . A 5 LYS H . 30987 1 31 . 1 . 1 5 5 LYS HA H 1 4.055 0.000 . 1 . . . . A 5 LYS HA . 30987 1 32 . 1 . 1 5 5 LYS HB2 H 1 1.753 0.000 . 2 . . . . A 5 LYS HB2 . 30987 1 33 . 1 . 1 5 5 LYS HB3 H 1 1.846 0.000 . 2 . . . . A 5 LYS HB3 . 30987 1 34 . 1 . 1 5 5 LYS HG2 H 1 1.385 0.000 . 2 . . . . A 5 LYS HG2 . 30987 1 35 . 1 . 1 5 5 LYS HG3 H 1 1.467 0.000 . 2 . . . . A 5 LYS HG3 . 30987 1 36 . 1 . 1 5 5 LYS HD2 H 1 1.685 0.001 . 1 . . . . A 5 LYS HD2 . 30987 1 37 . 1 . 1 5 5 LYS HD3 H 1 1.685 0.001 . 1 . . . . A 5 LYS HD3 . 30987 1 38 . 1 . 1 5 5 LYS HE2 H 1 2.987 0.000 . 1 . . . . A 5 LYS HE2 . 30987 1 39 . 1 . 1 5 5 LYS HE3 H 1 2.987 0.000 . 1 . . . . A 5 LYS HE3 . 30987 1 40 . 1 . 1 6 6 ILE H H 1 7.401 0.001 . 1 . . . . A 6 ILE H . 30987 1 41 . 1 . 1 6 6 ILE HA H 1 4.018 0.002 . 1 . . . . A 6 ILE HA . 30987 1 42 . 1 . 1 6 6 ILE HB H 1 1.929 0.001 . 1 . . . . A 6 ILE HB . 30987 1 43 . 1 . 1 6 6 ILE HG12 H 1 1.283 0.002 . 2 . . . . A 6 ILE HG12 . 30987 1 44 . 1 . 1 6 6 ILE HG13 H 1 1.569 0.000 . 2 . . . . A 6 ILE HG13 . 30987 1 45 . 1 . 1 6 6 ILE HG21 H 1 0.981 0.001 . 1 . . . . A 6 ILE HG21 . 30987 1 46 . 1 . 1 6 6 ILE HG22 H 1 0.981 0.001 . 1 . . . . A 6 ILE HG22 . 30987 1 47 . 1 . 1 6 6 ILE HG23 H 1 0.981 0.001 . 1 . . . . A 6 ILE HG23 . 30987 1 48 . 1 . 1 6 6 ILE HD11 H 1 0.859 0.001 . 1 . . . . A 6 ILE HD11 . 30987 1 49 . 1 . 1 6 6 ILE HD12 H 1 0.859 0.001 . 1 . . . . A 6 ILE HD12 . 30987 1 50 . 1 . 1 6 6 ILE HD13 H 1 0.859 0.001 . 1 . . . . A 6 ILE HD13 . 30987 1 51 . 1 . 1 7 7 LEU H H 1 8.086 0.000 . 1 . . . . A 7 LEU H . 30987 1 52 . 1 . 1 7 7 LEU HA H 1 4.061 0.000 . 1 . . . . A 7 LEU HA . 30987 1 53 . 1 . 1 7 7 LEU HB2 H 1 1.677 0.000 . 1 . . . . A 7 LEU HB2 . 30987 1 54 . 1 . 1 7 7 LEU HB3 H 1 1.677 0.000 . 1 . . . . A 7 LEU HB3 . 30987 1 55 . 1 . 1 7 7 LEU HG H 1 1.579 0.000 . 1 . . . . A 7 LEU HG . 30987 1 56 . 1 . 1 7 7 LEU HD11 H 1 0.880 0.000 . 2 . . . . A 7 LEU HD11 . 30987 1 57 . 1 . 1 7 7 LEU HD12 H 1 0.880 0.000 . 2 . . . . A 7 LEU HD12 . 30987 1 58 . 1 . 1 7 7 LEU HD13 H 1 0.880 0.000 . 2 . . . . A 7 LEU HD13 . 30987 1 59 . 1 . 1 7 7 LEU HD21 H 1 0.917 0.000 . 2 . . . . A 7 LEU HD21 . 30987 1 60 . 1 . 1 7 7 LEU HD22 H 1 0.917 0.000 . 2 . . . . A 7 LEU HD22 . 30987 1 61 . 1 . 1 7 7 LEU HD23 H 1 0.917 0.000 . 2 . . . . A 7 LEU HD23 . 30987 1 62 . 1 . 1 8 8 CYS H H 1 8.691 0.000 . 1 . . . . A 8 CYS H . 30987 1 63 . 1 . 1 8 8 CYS HA H 1 4.584 0.000 . 1 . . . . A 8 CYS HA . 30987 1 64 . 1 . 1 8 8 CYS HB2 H 1 2.852 0.000 . 2 . . . . A 8 CYS HB2 . 30987 1 65 . 1 . 1 8 8 CYS HB3 H 1 3.075 0.000 . 2 . . . . A 8 CYS HB3 . 30987 1 66 . 1 . 1 9 9 ALA H H 1 7.758 0.001 . 1 . . . . A 9 ALA H . 30987 1 67 . 1 . 1 9 9 ALA HA H 1 4.188 0.001 . 1 . . . . A 9 ALA HA . 30987 1 68 . 1 . 1 9 9 ALA HB1 H 1 1.557 0.000 . 1 . . . . A 9 ALA HB1 . 30987 1 69 . 1 . 1 9 9 ALA HB2 H 1 1.557 0.000 . 1 . . . . A 9 ALA HB2 . 30987 1 70 . 1 . 1 9 9 ALA HB3 H 1 1.557 0.000 . 1 . . . . A 9 ALA HB3 . 30987 1 71 . 1 . 1 10 10 ILE H H 1 8.059 0.000 . 1 . . . . A 10 ILE H . 30987 1 72 . 1 . 1 10 10 ILE HA H 1 3.762 0.001 . 1 . . . . A 10 ILE HA . 30987 1 73 . 1 . 1 10 10 ILE HB H 1 1.942 0.001 . 1 . . . . A 10 ILE HB . 30987 1 74 . 1 . 1 10 10 ILE HG12 H 1 1.151 0.001 . 2 . . . . A 10 ILE HG12 . 30987 1 75 . 1 . 1 10 10 ILE HG13 H 1 1.727 0.001 . 2 . . . . A 10 ILE HG13 . 30987 1 76 . 1 . 1 10 10 ILE HG21 H 1 0.900 0.002 . 1 . . . . A 10 ILE HG21 . 30987 1 77 . 1 . 1 10 10 ILE HG22 H 1 0.900 0.002 . 1 . . . . A 10 ILE HG22 . 30987 1 78 . 1 . 1 10 10 ILE HG23 H 1 0.900 0.002 . 1 . . . . A 10 ILE HG23 . 30987 1 79 . 1 . 1 10 10 ILE HD11 H 1 0.849 0.000 . 1 . . . . A 10 ILE HD11 . 30987 1 80 . 1 . 1 10 10 ILE HD12 H 1 0.849 0.000 . 1 . . . . A 10 ILE HD12 . 30987 1 81 . 1 . 1 10 10 ILE HD13 H 1 0.849 0.000 . 1 . . . . A 10 ILE HD13 . 30987 1 82 . 1 . 1 11 11 ALA H H 1 7.979 0.000 . 1 . . . . A 11 ALA H . 30987 1 83 . 1 . 1 11 11 ALA HA H 1 3.942 0.001 . 1 . . . . A 11 ALA HA . 30987 1 84 . 1 . 1 11 11 ALA HB1 H 1 1.402 0.001 . 1 . . . . A 11 ALA HB1 . 30987 1 85 . 1 . 1 11 11 ALA HB2 H 1 1.402 0.001 . 1 . . . . A 11 ALA HB2 . 30987 1 86 . 1 . 1 11 11 ALA HB3 H 1 1.402 0.001 . 1 . . . . A 11 ALA HB3 . 30987 1 87 . 1 . 1 12 12 LYS H H 1 7.913 0.001 . 1 . . . . A 12 LYS H . 30987 1 88 . 1 . 1 12 12 LYS HA H 1 4.058 0.002 . 1 . . . . A 12 LYS HA . 30987 1 89 . 1 . 1 12 12 LYS HB2 H 1 1.852 0.000 . 2 . . . . A 12 LYS HB2 . 30987 1 90 . 1 . 1 12 12 LYS HB3 H 1 1.958 0.000 . 2 . . . . A 12 LYS HB3 . 30987 1 91 . 1 . 1 12 12 LYS HG2 H 1 1.472 0.000 . 1 . . . . A 12 LYS HG2 . 30987 1 92 . 1 . 1 12 12 LYS HG3 H 1 1.472 0.000 . 1 . . . . A 12 LYS HG3 . 30987 1 93 . 1 . 1 12 12 LYS HD2 H 1 1.650 0.000 . 1 . . . . A 12 LYS HD2 . 30987 1 94 . 1 . 1 12 12 LYS HD3 H 1 1.650 0.000 . 1 . . . . A 12 LYS HD3 . 30987 1 95 . 1 . 1 12 12 LYS HE2 H 1 2.985 0.002 . 1 . . . . A 12 LYS HE2 . 30987 1 96 . 1 . 1 12 12 LYS HE3 H 1 2.985 0.002 . 1 . . . . A 12 LYS HE3 . 30987 1 97 . 1 . 1 13 13 LYS H H 1 7.833 0.000 . 1 . . . . A 13 LYS H . 30987 1 98 . 1 . 1 13 13 LYS HA H 1 4.158 0.001 . 1 . . . . A 13 LYS HA . 30987 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.962 0.000 . 1 . . . . A 13 LYS HB2 . 30987 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.962 0.000 . 1 . . . . A 13 LYS HB3 . 30987 1 101 . 1 . 1 13 13 LYS HG2 H 1 1.854 0.000 . 1 . . . . A 13 LYS HG2 . 30987 1 102 . 1 . 1 13 13 LYS HG3 H 1 1.854 0.000 . 1 . . . . A 13 LYS HG3 . 30987 1 103 . 1 . 1 13 13 LYS HD2 H 1 1.704 0.000 . 1 . . . . A 13 LYS HD2 . 30987 1 104 . 1 . 1 13 13 LYS HD3 H 1 1.704 0.000 . 1 . . . . A 13 LYS HD3 . 30987 1 105 . 1 . 1 13 13 LYS HE2 H 1 2.986 0.001 . 1 . . . . A 13 LYS HE2 . 30987 1 106 . 1 . 1 13 13 LYS HE3 H 1 2.986 0.001 . 1 . . . . A 13 LYS HE3 . 30987 1 107 . 1 . 1 14 14 LYS H H 1 8.120 0.001 . 1 . . . . A 14 LYS H . 30987 1 108 . 1 . 1 14 14 LYS HA H 1 4.269 0.001 . 1 . . . . A 14 LYS HA . 30987 1 109 . 1 . 1 14 14 LYS HB2 H 1 1.755 0.000 . 2 . . . . A 14 LYS HB2 . 30987 1 110 . 1 . 1 14 14 LYS HB3 H 1 1.924 0.000 . 2 . . . . A 14 LYS HB3 . 30987 1 111 . 1 . 1 14 14 LYS HG2 H 1 1.442 0.001 . 2 . . . . A 14 LYS HG2 . 30987 1 112 . 1 . 1 14 14 LYS HG3 H 1 1.576 0.001 . 2 . . . . A 14 LYS HG3 . 30987 1 113 . 1 . 1 14 14 LYS HD2 H 1 1.644 0.001 . 1 . . . . A 14 LYS HD2 . 30987 1 114 . 1 . 1 14 14 LYS HD3 H 1 1.644 0.001 . 1 . . . . A 14 LYS HD3 . 30987 1 115 . 1 . 1 14 14 LYS HE2 H 1 2.965 0.000 . 1 . . . . A 14 LYS HE2 . 30987 1 116 . 1 . 1 14 14 LYS HE3 H 1 2.965 0.000 . 1 . . . . A 14 LYS HE3 . 30987 1 117 . 1 . 1 15 15 GLY H H 1 7.989 0.002 . 1 . . . . A 15 GLY H . 30987 1 118 . 1 . 1 15 15 GLY HA2 H 1 3.942 0.000 . 2 . . . . A 15 GLY HA2 . 30987 1 119 . 1 . 1 15 15 GLY HA3 H 1 4.056 0.000 . 2 . . . . A 15 GLY HA3 . 30987 1 120 . 1 . 1 16 16 LYS H H 1 8.198 0.001 . 1 . . . . A 16 LYS H . 30987 1 121 . 1 . 1 16 16 LYS HA H 1 4.412 0.003 . 1 . . . . A 16 LYS HA . 30987 1 122 . 1 . 1 16 16 LYS HB2 H 1 1.640 0.003 . 2 . . . . A 16 LYS HB2 . 30987 1 123 . 1 . 1 16 16 LYS HB3 H 1 1.988 0.001 . 2 . . . . A 16 LYS HB3 . 30987 1 124 . 1 . 1 16 16 LYS HG2 H 1 1.242 0.001 . 2 . . . . A 16 LYS HG2 . 30987 1 125 . 1 . 1 16 16 LYS HG3 H 1 1.372 0.001 . 2 . . . . A 16 LYS HG3 . 30987 1 126 . 1 . 1 16 16 LYS HD2 H 1 1.640 0.000 . 1 . . . . A 16 LYS HD2 . 30987 1 127 . 1 . 1 16 16 LYS HD3 H 1 1.640 0.000 . 1 . . . . A 16 LYS HD3 . 30987 1 128 . 1 . 1 16 16 LYS HE2 H 1 2.965 0.000 . 1 . . . . A 16 LYS HE2 . 30987 1 129 . 1 . 1 16 16 LYS HE3 H 1 2.965 0.000 . 1 . . . . A 16 LYS HE3 . 30987 1 130 . 1 . 1 17 17 CYS H H 1 8.650 0.000 . 1 . . . . A 17 CYS H . 30987 1 131 . 1 . 1 17 17 CYS HA H 1 4.387 0.001 . 1 . . . . A 17 CYS HA . 30987 1 132 . 1 . 1 17 17 CYS HB2 H 1 2.654 0.000 . 2 . . . . A 17 CYS HB2 . 30987 1 133 . 1 . 1 17 17 CYS HB3 H 1 3.471 0.000 . 2 . . . . A 17 CYS HB3 . 30987 1 134 . 1 . 1 18 18 LYS H H 1 7.699 0.001 . 1 . . . . A 18 LYS H . 30987 1 135 . 1 . 1 18 18 LYS HA H 1 4.495 0.001 . 1 . . . . A 18 LYS HA . 30987 1 136 . 1 . 1 18 18 LYS HB2 H 1 1.684 0.000 . 2 . . . . A 18 LYS HB2 . 30987 1 137 . 1 . 1 18 18 LYS HB3 H 1 1.885 0.000 . 2 . . . . A 18 LYS HB3 . 30987 1 138 . 1 . 1 18 18 LYS HG2 H 1 1.231 0.002 . 1 . . . . A 18 LYS HG2 . 30987 1 139 . 1 . 1 18 18 LYS HG3 H 1 1.231 0.002 . 1 . . . . A 18 LYS HG3 . 30987 1 140 . 1 . 1 18 18 LYS HD2 H 1 1.665 0.000 . 1 . . . . A 18 LYS HD2 . 30987 1 141 . 1 . 1 18 18 LYS HD3 H 1 1.665 0.000 . 1 . . . . A 18 LYS HD3 . 30987 1 142 . 1 . 1 18 18 LYS HE2 H 1 2.957 0.001 . 1 . . . . A 18 LYS HE2 . 30987 1 143 . 1 . 1 18 18 LYS HE3 H 1 2.957 0.001 . 1 . . . . A 18 LYS HE3 . 30987 1 144 . 1 . 1 19 19 GLY H H 1 8.922 0.001 . 1 . . . . A 19 GLY H . 30987 1 145 . 1 . 1 19 19 GLY HA2 H 1 3.805 0.000 . 2 . . . . A 19 GLY HA2 . 30987 1 146 . 1 . 1 19 19 GLY HA3 H 1 3.970 0.000 . 2 . . . . A 19 GLY HA3 . 30987 1 147 . 1 . 1 20 20 ALA H H 1 9.100 0.000 . 1 . . . . A 20 ALA H . 30987 1 148 . 1 . 1 20 20 ALA HA H 1 4.165 0.001 . 1 . . . . A 20 ALA HA . 30987 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.494 0.000 . 1 . . . . A 20 ALA HB1 . 30987 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.494 0.000 . 1 . . . . A 20 ALA HB2 . 30987 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.494 0.000 . 1 . . . . A 20 ALA HB3 . 30987 1 152 . 1 . 1 21 21 LEU H H 1 7.833 0.000 . 1 . . . . A 21 LEU H . 30987 1 153 . 1 . 1 21 21 LEU HA H 1 4.146 0.000 . 1 . . . . A 21 LEU HA . 30987 1 154 . 1 . 1 21 21 LEU HB2 H 1 1.575 0.000 . 2 . . . . A 21 LEU HB2 . 30987 1 155 . 1 . 1 21 21 LEU HB3 H 1 1.879 0.002 . 2 . . . . A 21 LEU HB3 . 30987 1 156 . 1 . 1 21 21 LEU HG H 1 1.807 0.002 . 1 . . . . A 21 LEU HG . 30987 1 157 . 1 . 1 21 21 LEU HD11 H 1 0.873 0.000 . 2 . . . . A 21 LEU HD11 . 30987 1 158 . 1 . 1 21 21 LEU HD12 H 1 0.873 0.000 . 2 . . . . A 21 LEU HD12 . 30987 1 159 . 1 . 1 21 21 LEU HD13 H 1 0.873 0.000 . 2 . . . . A 21 LEU HD13 . 30987 1 160 . 1 . 1 21 21 LEU HD21 H 1 0.982 0.000 . 2 . . . . A 21 LEU HD21 . 30987 1 161 . 1 . 1 21 21 LEU HD22 H 1 0.982 0.000 . 2 . . . . A 21 LEU HD22 . 30987 1 162 . 1 . 1 21 21 LEU HD23 H 1 0.982 0.000 . 2 . . . . A 21 LEU HD23 . 30987 1 163 . 1 . 1 22 22 LYS H H 1 7.364 0.001 . 1 . . . . A 22 LYS H . 30987 1 164 . 1 . 1 22 22 LYS HA H 1 4.021 0.000 . 1 . . . . A 22 LYS HA . 30987 1 165 . 1 . 1 22 22 LYS HB2 H 1 1.847 0.000 . 1 . . . . A 22 LYS HB2 . 30987 1 166 . 1 . 1 22 22 LYS HB3 H 1 1.847 0.000 . 1 . . . . A 22 LYS HB3 . 30987 1 167 . 1 . 1 22 22 LYS HG2 H 1 1.313 0.003 . 2 . . . . A 22 LYS HG2 . 30987 1 168 . 1 . 1 22 22 LYS HG3 H 1 1.398 0.000 . 2 . . . . A 22 LYS HG3 . 30987 1 169 . 1 . 1 22 22 LYS HD2 H 1 1.651 0.004 . 1 . . . . A 22 LYS HD2 . 30987 1 170 . 1 . 1 22 22 LYS HD3 H 1 1.651 0.004 . 1 . . . . A 22 LYS HD3 . 30987 1 171 . 1 . 1 22 22 LYS HE2 H 1 2.987 0.005 . 1 . . . . A 22 LYS HE2 . 30987 1 172 . 1 . 1 22 22 LYS HE3 H 1 2.987 0.005 . 1 . . . . A 22 LYS HE3 . 30987 1 173 . 1 . 1 23 23 LEU H H 1 7.440 0.000 . 1 . . . . A 23 LEU H . 30987 1 174 . 1 . 1 23 23 LEU HA H 1 4.286 0.001 . 1 . . . . A 23 LEU HA . 30987 1 175 . 1 . 1 23 23 LEU HB2 H 1 1.834 0.000 . 1 . . . . A 23 LEU HB2 . 30987 1 176 . 1 . 1 23 23 LEU HB3 H 1 1.834 0.000 . 1 . . . . A 23 LEU HB3 . 30987 1 177 . 1 . 1 23 23 LEU HG H 1 1.671 0.000 . 1 . . . . A 23 LEU HG . 30987 1 178 . 1 . 1 23 23 LEU HD11 H 1 0.877 0.002 . 2 . . . . A 23 LEU HD11 . 30987 1 179 . 1 . 1 23 23 LEU HD12 H 1 0.877 0.002 . 2 . . . . A 23 LEU HD12 . 30987 1 180 . 1 . 1 23 23 LEU HD13 H 1 0.877 0.002 . 2 . . . . A 23 LEU HD13 . 30987 1 181 . 1 . 1 23 23 LEU HD21 H 1 0.946 0.000 . 2 . . . . A 23 LEU HD21 . 30987 1 182 . 1 . 1 23 23 LEU HD22 H 1 0.946 0.000 . 2 . . . . A 23 LEU HD22 . 30987 1 183 . 1 . 1 23 23 LEU HD23 H 1 0.946 0.000 . 2 . . . . A 23 LEU HD23 . 30987 1 184 . 1 . 1 24 24 VAL H H 1 7.553 0.000 . 1 . . . . A 24 VAL H . 30987 1 185 . 1 . 1 24 24 VAL HA H 1 3.990 0.000 . 1 . . . . A 24 VAL HA . 30987 1 186 . 1 . 1 24 24 VAL HB H 1 2.080 0.001 . 1 . . . . A 24 VAL HB . 30987 1 187 . 1 . 1 24 24 VAL HG11 H 1 0.941 0.000 . 2 . . . . A 24 VAL HG11 . 30987 1 188 . 1 . 1 24 24 VAL HG12 H 1 0.941 0.000 . 2 . . . . A 24 VAL HG12 . 30987 1 189 . 1 . 1 24 24 VAL HG13 H 1 0.941 0.000 . 2 . . . . A 24 VAL HG13 . 30987 1 190 . 1 . 1 24 24 VAL HG21 H 1 1.044 0.000 . 2 . . . . A 24 VAL HG21 . 30987 1 191 . 1 . 1 24 24 VAL HG22 H 1 1.044 0.000 . 2 . . . . A 24 VAL HG22 . 30987 1 192 . 1 . 1 24 24 VAL HG23 H 1 1.044 0.000 . 2 . . . . A 24 VAL HG23 . 30987 1 193 . 1 . 1 25 25 CYS H H 1 8.216 0.002 . 1 . . . . A 25 CYS H . 30987 1 194 . 1 . 1 25 25 CYS HA H 1 4.844 0.002 . 1 . . . . A 25 CYS HA . 30987 1 195 . 1 . 1 25 25 CYS HB2 H 1 2.806 0.002 . 2 . . . . A 25 CYS HB2 . 30987 1 196 . 1 . 1 25 25 CYS HB3 H 1 3.053 0.001 . 2 . . . . A 25 CYS HB3 . 30987 1 197 . 1 . 1 26 26 LYS H H 1 8.019 0.001 . 1 . . . . A 26 LYS H . 30987 1 198 . 1 . 1 26 26 LYS HA H 1 4.185 0.000 . 1 . . . . A 26 LYS HA . 30987 1 199 . 1 . 1 26 26 LYS HB2 H 1 1.887 0.000 . 1 . . . . A 26 LYS HB2 . 30987 1 200 . 1 . 1 26 26 LYS HB3 H 1 1.887 0.000 . 1 . . . . A 26 LYS HB3 . 30987 1 201 . 1 . 1 26 26 LYS HG2 H 1 1.380 0.000 . 1 . . . . A 26 LYS HG2 . 30987 1 202 . 1 . 1 26 26 LYS HG3 H 1 1.380 0.000 . 1 . . . . A 26 LYS HG3 . 30987 1 203 . 1 . 1 26 26 LYS HD2 H 1 1.694 0.000 . 1 . . . . A 26 LYS HD2 . 30987 1 204 . 1 . 1 26 26 LYS HD3 H 1 1.694 0.000 . 1 . . . . A 26 LYS HD3 . 30987 1 205 . 1 . 1 26 26 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 26 LYS HE2 . 30987 1 206 . 1 . 1 26 26 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 26 LYS HE3 . 30987 1 207 . 1 . 1 27 27 CYS H H 1 7.864 0.001 . 1 . . . . A 27 CYS H . 30987 1 208 . 1 . 1 27 27 CYS HA H 1 4.588 0.000 . 1 . . . . A 27 CYS HA . 30987 1 209 . 1 . 1 27 27 CYS HB2 H 1 3.171 0.000 . 1 . . . . A 27 CYS HB2 . 30987 1 210 . 1 . 1 27 27 CYS HB3 H 1 3.171 0.000 . 1 . . . . A 27 CYS HB3 . 30987 1 211 . 1 . 1 28 28 NH2 HN1 H 1 7.308 0.000 . 2 . . . . A 28 NH2 HN1 . 30987 1 212 . 1 . 1 28 28 NH2 HN2 H 1 7.800 0.000 . 2 . . . . A 28 NH2 HN2 . 30987 1 stop_ save_