################################### # 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 31271 _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' . . . 31271 1 2 '2D 1H-1H COSY' . . . 31271 1 3 '2D 1H-1H NOESY' . . . 31271 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 LEU HA H 1 4.260 0.002 . 1 . . . . A 1 LEU HA . 31271 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.852 0.000 . 2 . . . . A 1 LEU HB2 . 31271 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.852 0.000 . 2 . . . . A 1 LEU HB3 . 31271 1 4 . 1 . 1 1 1 LEU HG H 1 1.847 0.000 . 1 . . . . A 1 LEU HG . 31271 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD11 . 31271 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD12 . 31271 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD13 . 31271 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD21 . 31271 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD22 . 31271 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.972 0.000 . 2 . . . . A 1 LEU HD23 . 31271 1 11 . 1 . 1 2 2 SER H H 1 9.705 0.001 . 1 . . . . A 2 SER H . 31271 1 12 . 1 . 1 2 2 SER HA H 1 4.616 0.002 . 1 . . . . A 2 SER HA . 31271 1 13 . 1 . 1 2 2 SER HB2 H 1 4.393 0.000 . 2 . . . . A 2 SER HB2 . 31271 1 14 . 1 . 1 2 2 SER HB3 H 1 4.110 0.003 . 2 . . . . A 2 SER HB3 . 31271 1 15 . 1 . 1 3 3 ASP H H 1 9.242 0.002 . 1 . . . . A 3 ASP H . 31271 1 16 . 1 . 1 3 3 ASP HA H 1 4.409 0.004 . 1 . . . . A 3 ASP HA . 31271 1 17 . 1 . 1 3 3 ASP HB2 H 1 2.716 0.001 . 2 . . . . A 3 ASP HB2 . 31271 1 18 . 1 . 1 4 4 GLU H H 1 8.855 0.002 . 1 . . . . A 4 GLU H . 31271 1 19 . 1 . 1 4 4 GLU HA H 1 4.119 0.000 . 1 . . . . A 4 GLU HA . 31271 1 20 . 1 . 1 4 4 GLU HB2 H 1 2.025 0.001 . 2 . . . . A 4 GLU HB2 . 31271 1 21 . 1 . 1 4 4 GLU HB3 H 1 2.025 0.001 . 2 . . . . A 4 GLU HB3 . 31271 1 22 . 1 . 1 4 4 GLU HG2 H 1 2.341 0.001 . 2 . . . . A 4 GLU HG2 . 31271 1 23 . 1 . 1 5 5 ASP H H 1 8.080 0.001 . 1 . . . . A 5 ASP H . 31271 1 24 . 1 . 1 5 5 ASP HA H 1 4.509 0.002 . 1 . . . . A 5 ASP HA . 31271 1 25 . 1 . 1 5 5 ASP HB2 H 1 2.676 0.002 . 2 . . . . A 5 ASP HB2 . 31271 1 26 . 1 . 1 6 6 PHE H H 1 8.839 0.002 . 1 . . . . A 6 PHE H . 31271 1 27 . 1 . 1 6 6 PHE HA H 1 3.945 0.001 . 1 . . . . A 6 PHE HA . 31271 1 28 . 1 . 1 6 6 PHE HB2 H 1 3.385 0.001 . 2 . . . . A 6 PHE HB2 . 31271 1 29 . 1 . 1 6 6 PHE HB3 H 1 3.002 0.002 . 2 . . . . A 6 PHE HB3 . 31271 1 30 . 1 . 1 6 6 PHE HD1 H 1 7.178 0.001 . 3 . . . . A 6 PHE HD1 . 31271 1 31 . 1 . 1 6 6 PHE HD2 H 1 7.178 0.001 . 3 . . . . A 6 PHE HD2 . 31271 1 32 . 1 . 1 6 6 PHE HE1 H 1 6.651 0.001 . 3 . . . . A 6 PHE HE1 . 31271 1 33 . 1 . 1 6 6 PHE HE2 H 1 6.651 0.001 . 3 . . . . A 6 PHE HE2 . 31271 1 34 . 1 . 1 6 6 PHE HZ H 1 5.854 0.001 . 1 . . . . A 6 PHE HZ . 31271 1 35 . 1 . 1 7 7 LYS H H 1 7.908 0.002 . 1 . . . . A 7 LYS H . 31271 1 36 . 1 . 1 7 7 LYS HA H 1 4.348 0.003 . 1 . . . . A 7 LYS HA . 31271 1 37 . 1 . 1 7 7 LYS HB2 H 1 1.922 0.000 . 2 . . . . A 7 LYS HB2 . 31271 1 38 . 1 . 1 7 7 LYS HB3 H 1 1.886 0.001 . 2 . . . . A 7 LYS HB3 . 31271 1 39 . 1 . 1 7 7 LYS HG2 H 1 1.375 0.000 . 2 . . . . A 7 LYS HG2 . 31271 1 40 . 1 . 1 7 7 LYS HG3 H 1 1.278 0.001 . 2 . . . . A 7 LYS HG3 . 31271 1 41 . 1 . 1 7 7 LYS HD2 H 1 1.629 0.000 . 2 . . . . A 7 LYS HD2 . 31271 1 42 . 1 . 1 7 7 LYS HD3 H 1 1.629 0.000 . 2 . . . . A 7 LYS HD3 . 31271 1 43 . 1 . 1 7 7 LYS HE2 H 1 2.917 0.000 . 2 . . . . A 7 LYS HE2 . 31271 1 44 . 1 . 1 7 7 LYS HE3 H 1 2.917 0.000 . 2 . . . . A 7 LYS HE3 . 31271 1 45 . 1 . 1 8 8 ALA H H 1 7.756 0.002 . 1 . . . . A 8 ALA H . 31271 1 46 . 1 . 1 8 8 ALA HA H 1 4.098 0.001 . 1 . . . . A 8 ALA HA . 31271 1 47 . 1 . 1 8 8 ALA HB1 H 1 1.531 0.003 . 1 . . . . A 8 ALA HB1 . 31271 1 48 . 1 . 1 8 8 ALA HB2 H 1 1.531 0.003 . 1 . . . . A 8 ALA HB2 . 31271 1 49 . 1 . 1 8 8 ALA HB3 H 1 1.531 0.003 . 1 . . . . A 8 ALA HB3 . 31271 1 50 . 1 . 1 9 9 VAL H H 1 7.889 0.001 . 1 . . . . A 9 VAL H . 31271 1 51 . 1 . 1 9 9 VAL HA H 1 3.592 0.002 . 1 . . . . A 9 VAL HA . 31271 1 52 . 1 . 1 9 9 VAL HB H 1 1.546 0.005 . 1 . . . . A 9 VAL HB . 31271 1 53 . 1 . 1 9 9 VAL HG11 H 1 -0.009 0.002 . 2 . . . . A 9 VAL HG11 . 31271 1 54 . 1 . 1 9 9 VAL HG12 H 1 -0.009 0.002 . 2 . . . . A 9 VAL HG12 . 31271 1 55 . 1 . 1 9 9 VAL HG13 H 1 -0.009 0.002 . 2 . . . . A 9 VAL HG13 . 31271 1 56 . 1 . 1 9 9 VAL HG21 H 1 0.809 0.004 . 2 . . . . A 9 VAL HG21 . 31271 1 57 . 1 . 1 9 9 VAL HG22 H 1 0.809 0.004 . 2 . . . . A 9 VAL HG22 . 31271 1 58 . 1 . 1 9 9 VAL HG23 H 1 0.809 0.004 . 2 . . . . A 9 VAL HG23 . 31271 1 59 . 1 . 1 10 10 PHE H H 1 8.432 0.001 . 1 . . . . A 10 PHE H . 31271 1 60 . 1 . 1 10 10 PHE HA H 1 4.209 0.002 . 1 . . . . A 10 PHE HA . 31271 1 61 . 1 . 1 10 10 PHE HB2 H 1 2.847 0.001 . 2 . . . . A 10 PHE HB2 . 31271 1 62 . 1 . 1 10 10 PHE HB3 H 1 2.428 0.001 . 2 . . . . A 10 PHE HB3 . 31271 1 63 . 1 . 1 10 10 PHE HD1 H 1 6.397 0.004 . 3 . . . . A 10 PHE HD1 . 31271 1 64 . 1 . 1 10 10 PHE HD2 H 1 6.397 0.004 . 3 . . . . A 10 PHE HD2 . 31271 1 65 . 1 . 1 10 10 PHE HE1 H 1 6.653 0.003 . 3 . . . . A 10 PHE HE1 . 31271 1 66 . 1 . 1 10 10 PHE HE2 H 1 6.653 0.003 . 3 . . . . A 10 PHE HE2 . 31271 1 67 . 1 . 1 10 10 PHE HZ H 1 6.833 0.000 . 1 . . . . A 10 PHE HZ . 31271 1 68 . 1 . 1 11 11 GLY H H 1 8.234 0.001 . 1 . . . . A 11 GLY H . 31271 1 69 . 1 . 1 11 11 GLY HA2 H 1 3.888 0.002 . 2 . . . . A 11 GLY HA2 . 31271 1 70 . 1 . 1 12 12 NLE H H 1 7.576 0.003 . 1 . . . . A 12 NLE H . 31271 1 71 . 1 . 1 12 12 NLE HA H 1 4.707 0.002 . 1 . . . . A 12 NLE HA . 31271 1 72 . 1 . 1 12 12 NLE HB2 H 1 1.795 0.004 . 2 . . . . A 12 NLE HB2 . 31271 1 73 . 1 . 1 12 12 NLE HB3 H 1 2.053 0.003 . 2 . . . . A 12 NLE HB3 . 31271 1 74 . 1 . 1 12 12 NLE HD2 H 1 1.310 0.005 . 2 . . . . A 12 NLE HD2 . 31271 1 75 . 1 . 1 12 12 NLE HD3 H 1 1.413 0.001 . 2 . . . . A 12 NLE HD3 . 31271 1 76 . 1 . 1 12 12 NLE HE1 H 1 0.924 0.003 . 1 . . . . A 12 NLE HE1 . 31271 1 77 . 1 . 1 12 12 NLE HE2 H 1 0.924 0.003 . 1 . . . . A 12 NLE HE2 . 31271 1 78 . 1 . 1 12 12 NLE HE3 H 1 0.924 0.003 . 1 . . . . A 12 NLE HE3 . 31271 1 79 . 1 . 1 12 12 NLE HG2 H 1 1.523 0.007 . . . . . . A 12 NLE HG2 . 31271 1 80 . 1 . 1 12 12 NLE HG3 H 1 1.523 0.007 . . . . . . A 12 NLE HG3 . 31271 1 81 . 1 . 1 13 13 THR H H 1 8.092 0.002 . 1 . . . . A 13 THR H . 31271 1 82 . 1 . 1 13 13 THR HA H 1 4.506 0.002 . 1 . . . . A 13 THR HA . 31271 1 83 . 1 . 1 13 13 THR HB H 1 4.654 0.001 . 1 . . . . A 13 THR HB . 31271 1 84 . 1 . 1 13 13 THR HG21 H 1 1.363 0.001 . 1 . . . . A 13 THR HG21 . 31271 1 85 . 1 . 1 13 13 THR HG22 H 1 1.363 0.001 . 1 . . . . A 13 THR HG22 . 31271 1 86 . 1 . 1 13 13 THR HG23 H 1 1.363 0.001 . 1 . . . . A 13 THR HG23 . 31271 1 87 . 1 . 1 14 14 ARG H H 1 8.716 0.002 . 1 . . . . A 14 ARG H . 31271 1 88 . 1 . 1 14 14 ARG HA H 1 3.305 0.002 . 1 . . . . A 14 ARG HA . 31271 1 89 . 1 . 1 14 14 ARG HB2 H 1 1.358 0.001 . 2 . . . . A 14 ARG HB2 . 31271 1 90 . 1 . 1 14 14 ARG HB3 H 1 1.205 0.002 . 2 . . . . A 14 ARG HB3 . 31271 1 91 . 1 . 1 14 14 ARG HG2 H 1 0.919 0.001 . 2 . . . . A 14 ARG HG2 . 31271 1 92 . 1 . 1 14 14 ARG HG3 H 1 0.620 0.001 . 2 . . . . A 14 ARG HG3 . 31271 1 93 . 1 . 1 14 14 ARG HD2 H 1 2.893 0.002 . 2 . . . . A 14 ARG HD2 . 31271 1 94 . 1 . 1 14 14 ARG HD3 H 1 2.809 0.001 . 2 . . . . A 14 ARG HD3 . 31271 1 95 . 1 . 1 14 14 ARG HE H 1 7.087 0.002 . 1 . . . . A 14 ARG HE . 31271 1 96 . 1 . 1 15 15 SER H H 1 8.281 0.001 . 1 . . . . A 15 SER H . 31271 1 97 . 1 . 1 15 15 SER HA H 1 4.095 0.000 . 1 . . . . A 15 SER HA . 31271 1 98 . 1 . 1 15 15 SER HB2 H 1 3.804 0.002 . 2 . . . . A 15 SER HB2 . 31271 1 99 . 1 . 1 15 15 SER HB3 H 1 3.760 0.001 . 2 . . . . A 15 SER HB3 . 31271 1 100 . 1 . 1 16 16 ALA H H 1 7.767 0.001 . 1 . . . . A 16 ALA H . 31271 1 101 . 1 . 1 16 16 ALA HA H 1 4.121 0.000 . 1 . . . . A 16 ALA HA . 31271 1 102 . 1 . 1 16 16 ALA HB1 H 1 1.481 0.001 . 1 . . . . A 16 ALA HB1 . 31271 1 103 . 1 . 1 16 16 ALA HB2 H 1 1.481 0.001 . 1 . . . . A 16 ALA HB2 . 31271 1 104 . 1 . 1 16 16 ALA HB3 H 1 1.481 0.001 . 1 . . . . A 16 ALA HB3 . 31271 1 105 . 1 . 1 17 17 PHE H H 1 8.669 0.001 . 1 . . . . A 17 PHE H . 31271 1 106 . 1 . 1 17 17 PHE HA H 1 3.956 0.000 . 1 . . . . A 17 PHE HA . 31271 1 107 . 1 . 1 17 17 PHE HB2 H 1 3.175 0.001 . 2 . . . . A 17 PHE HB2 . 31271 1 108 . 1 . 1 17 17 PHE HB3 H 1 3.026 0.001 . 2 . . . . A 17 PHE HB3 . 31271 1 109 . 1 . 1 17 17 PHE HD1 H 1 7.013 0.001 . 3 . . . . A 17 PHE HD1 . 31271 1 110 . 1 . 1 17 17 PHE HD2 H 1 7.013 0.001 . 3 . . . . A 17 PHE HD2 . 31271 1 111 . 1 . 1 17 17 PHE HE1 H 1 7.142 0.000 . 3 . . . . A 17 PHE HE1 . 31271 1 112 . 1 . 1 17 17 PHE HE2 H 1 7.142 0.000 . 3 . . . . A 17 PHE HE2 . 31271 1 113 . 1 . 1 17 17 PHE HZ H 1 7.223 0.000 . 1 . . . . A 17 PHE HZ . 31271 1 114 . 1 . 1 18 18 ALA H H 1 7.841 0.003 . 1 . . . . A 18 ALA H . 31271 1 115 . 1 . 1 18 18 ALA HA H 1 3.973 0.000 . 1 . . . . A 18 ALA HA . 31271 1 116 . 1 . 1 18 18 ALA HB1 H 1 1.439 0.002 . 1 . . . . A 18 ALA HB1 . 31271 1 117 . 1 . 1 18 18 ALA HB2 H 1 1.439 0.002 . 1 . . . . A 18 ALA HB2 . 31271 1 118 . 1 . 1 18 18 ALA HB3 H 1 1.439 0.002 . 1 . . . . A 18 ALA HB3 . 31271 1 119 . 1 . 1 19 19 ASN H H 1 7.265 0.002 . 1 . . . . A 19 ASN H . 31271 1 120 . 1 . 1 19 19 ASN HA H 1 4.678 0.002 . 1 . . . . A 19 ASN HA . 31271 1 121 . 1 . 1 19 19 ASN HB2 H 1 2.873 0.001 . 2 . . . . A 19 ASN HB2 . 31271 1 122 . 1 . 1 19 19 ASN HB3 H 1 2.667 0.002 . 2 . . . . A 19 ASN HB3 . 31271 1 123 . 1 . 1 19 19 ASN HD21 H 1 6.873 0.000 . 2 . . . . A 19 ASN HD21 . 31271 1 124 . 1 . 1 19 19 ASN HD22 H 1 7.537 0.002 . 2 . . . . A 19 ASN HD22 . 31271 1 125 . 1 . 1 20 20 LEU H H 1 7.458 0.002 . 1 . . . . A 20 LEU H . 31271 1 126 . 1 . 1 20 20 LEU HA H 1 4.354 0.003 . 1 . . . . A 20 LEU HA . 31271 1 127 . 1 . 1 20 20 LEU HB2 H 1 1.609 0.001 . 2 . . . . A 20 LEU HB2 . 31271 1 128 . 1 . 1 20 20 LEU HB3 H 1 0.923 0.003 . 2 . . . . A 20 LEU HB3 . 31271 1 129 . 1 . 1 20 20 LEU HG H 1 1.800 0.001 . 1 . . . . A 20 LEU HG . 31271 1 130 . 1 . 1 20 20 LEU HD11 H 1 0.526 0.002 . 2 . . . . A 20 LEU HD11 . 31271 1 131 . 1 . 1 20 20 LEU HD12 H 1 0.526 0.002 . 2 . . . . A 20 LEU HD12 . 31271 1 132 . 1 . 1 20 20 LEU HD13 H 1 0.526 0.002 . 2 . . . . A 20 LEU HD13 . 31271 1 133 . 1 . 1 20 20 LEU HD21 H 1 0.761 0.003 . 2 . . . . A 20 LEU HD21 . 31271 1 134 . 1 . 1 20 20 LEU HD22 H 1 0.761 0.003 . 2 . . . . A 20 LEU HD22 . 31271 1 135 . 1 . 1 20 20 LEU HD23 H 1 0.761 0.003 . 2 . . . . A 20 LEU HD23 . 31271 1 136 . 1 . 1 21 21 PRO HA H 1 4.359 0.002 . 1 . . . . A 21 PRO HA . 31271 1 137 . 1 . 1 21 21 PRO HB2 H 1 2.330 0.005 . 2 . . . . A 21 PRO HB2 . 31271 1 138 . 1 . 1 21 21 PRO HB3 H 1 1.185 0.001 . 2 . . . . A 21 PRO HB3 . 31271 1 139 . 1 . 1 21 21 PRO HG2 H 1 2.069 0.001 . 2 . . . . A 21 PRO HG2 . 31271 1 140 . 1 . 1 21 21 PRO HG3 H 1 1.669 0.000 . 2 . . . . A 21 PRO HG3 . 31271 1 141 . 1 . 1 21 21 PRO HD2 H 1 3.809 0.001 . 2 . . . . A 21 PRO HD2 . 31271 1 142 . 1 . 1 21 21 PRO HD3 H 1 3.178 0.002 . 2 . . . . A 21 PRO HD3 . 31271 1 143 . 1 . 1 22 22 LEU H H 1 8.826 0.001 . 1 . . . . A 22 LEU H . 31271 1 144 . 1 . 1 22 22 LEU HA H 1 3.808 0.001 . 1 . . . . A 22 LEU HA . 31271 1 145 . 1 . 1 22 22 LEU HB2 H 1 1.700 0.003 . 2 . . . . A 22 LEU HB2 . 31271 1 146 . 1 . 1 22 22 LEU HB3 H 1 1.700 0.003 . 2 . . . . A 22 LEU HB3 . 31271 1 147 . 1 . 1 22 22 LEU HG H 1 1.614 0.004 . 1 . . . . A 22 LEU HG . 31271 1 148 . 1 . 1 22 22 LEU HD11 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD11 . 31271 1 149 . 1 . 1 22 22 LEU HD12 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD12 . 31271 1 150 . 1 . 1 22 22 LEU HD13 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD13 . 31271 1 151 . 1 . 1 22 22 LEU HD21 H 1 0.938 0.001 . 2 . . . . A 22 LEU HD21 . 31271 1 152 . 1 . 1 22 22 LEU HD22 H 1 0.938 0.001 . 2 . . . . A 22 LEU HD22 . 31271 1 153 . 1 . 1 22 22 LEU HD23 H 1 0.938 0.001 . 2 . . . . A 22 LEU HD23 . 31271 1 154 . 1 . 1 23 23 TRP H H 1 8.050 0.002 . 1 . . . . A 23 TRP H . 31271 1 155 . 1 . 1 23 23 TRP HA H 1 4.412 0.003 . 1 . . . . A 23 TRP HA . 31271 1 156 . 1 . 1 23 23 TRP HB2 H 1 3.455 0.002 . 2 . . . . A 23 TRP HB2 . 31271 1 157 . 1 . 1 23 23 TRP HB3 H 1 3.241 0.001 . 2 . . . . A 23 TRP HB3 . 31271 1 158 . 1 . 1 23 23 TRP HD1 H 1 7.502 0.000 . 1 . . . . A 23 TRP HD1 . 31271 1 159 . 1 . 1 23 23 TRP HE1 H 1 10.499 0.000 . 1 . . . . A 23 TRP HE1 . 31271 1 160 . 1 . 1 23 23 TRP HE3 H 1 7.417 0.003 . 1 . . . . A 23 TRP HE3 . 31271 1 161 . 1 . 1 23 23 TRP HZ2 H 1 7.251 0.001 . 1 . . . . A 23 TRP HZ2 . 31271 1 162 . 1 . 1 23 23 TRP HZ3 H 1 7.130 0.002 . 1 . . . . A 23 TRP HZ3 . 31271 1 163 . 1 . 1 23 23 TRP HH2 H 1 7.511 0.001 . 1 . . . . A 23 TRP HH2 . 31271 1 164 . 1 . 1 24 24 LYS H H 1 6.412 0.001 . 1 . . . . A 24 LYS H . 31271 1 165 . 1 . 1 24 24 LYS HA H 1 3.788 0.001 . 1 . . . . A 24 LYS HA . 31271 1 166 . 1 . 1 24 24 LYS HB2 H 1 1.410 0.001 . 2 . . . . A 24 LYS HB2 . 31271 1 167 . 1 . 1 24 24 LYS HB3 H 1 1.410 0.001 . 2 . . . . A 24 LYS HB3 . 31271 1 168 . 1 . 1 24 24 LYS HG2 H 1 0.781 0.000 . 2 . . . . A 24 LYS HG2 . 31271 1 169 . 1 . 1 24 24 LYS HG3 H 1 0.621 0.000 . 2 . . . . A 24 LYS HG3 . 31271 1 170 . 1 . 1 24 24 LYS HD2 H 1 1.460 0.000 . 2 . . . . A 24 LYS HD2 . 31271 1 171 . 1 . 1 24 24 LYS HD3 H 1 1.460 0.000 . 2 . . . . A 24 LYS HD3 . 31271 1 172 . 1 . 1 24 24 LYS HE2 H 1 2.821 0.000 . 2 . . . . A 24 LYS HE2 . 31271 1 173 . 1 . 1 24 24 LYS HE3 H 1 2.821 0.000 . 2 . . . . A 24 LYS HE3 . 31271 1 174 . 1 . 1 25 25 GLN H H 1 7.748 0.001 . 1 . . . . A 25 GLN H . 31271 1 175 . 1 . 1 25 25 GLN HA H 1 3.589 0.003 . 1 . . . . A 25 GLN HA . 31271 1 176 . 1 . 1 25 25 GLN HB2 H 1 2.039 0.000 . 2 . . . . A 25 GLN HB2 . 31271 1 177 . 1 . 1 25 25 GLN HB3 H 1 1.994 0.000 . 2 . . . . A 25 GLN HB3 . 31271 1 178 . 1 . 1 25 25 GLN HG2 H 1 1.914 0.001 . 2 . . . . A 25 GLN HG2 . 31271 1 179 . 1 . 1 25 25 GLN HG3 H 1 1.232 0.003 . 2 . . . . A 25 GLN HG3 . 31271 1 180 . 1 . 1 25 25 GLN HE21 H 1 6.565 0.001 . 2 . . . . A 25 GLN HE21 . 31271 1 181 . 1 . 1 25 25 GLN HE22 H 1 7.396 0.000 . 2 . . . . A 25 GLN HE22 . 31271 1 182 . 1 . 1 26 26 GLN H H 1 8.011 0.001 . 1 . . . . A 26 GLN H . 31271 1 183 . 1 . 1 26 26 GLN HA H 1 4.113 0.001 . 1 . . . . A 26 GLN HA . 31271 1 184 . 1 . 1 26 26 GLN HB2 H 1 2.296 0.000 . 2 . . . . A 26 GLN HB2 . 31271 1 185 . 1 . 1 26 26 GLN HB3 H 1 2.185 0.001 . 2 . . . . A 26 GLN HB3 . 31271 1 186 . 1 . 1 26 26 GLN HG2 H 1 2.516 0.003 . 2 . . . . A 26 GLN HG2 . 31271 1 187 . 1 . 1 26 26 GLN HG3 H 1 2.421 0.000 . 2 . . . . A 26 GLN HG3 . 31271 1 188 . 1 . 1 26 26 GLN HE21 H 1 6.982 0.002 . 2 . . . . A 26 GLN HE21 . 31271 1 189 . 1 . 1 26 26 GLN HE22 H 1 7.499 0.000 . 2 . . . . A 26 GLN HE22 . 31271 1 190 . 1 . 1 27 27 ASN H H 1 8.029 0.001 . 1 . . . . A 27 ASN H . 31271 1 191 . 1 . 1 27 27 ASN HA H 1 4.512 0.000 . 1 . . . . A 27 ASN HA . 31271 1 192 . 1 . 1 27 27 ASN HB2 H 1 2.805 0.002 . 2 . . . . A 27 ASN HB2 . 31271 1 193 . 1 . 1 27 27 ASN HB3 H 1 2.805 0.002 . 2 . . . . A 27 ASN HB3 . 31271 1 194 . 1 . 1 27 27 ASN HD21 H 1 7.091 0.000 . 2 . . . . A 27 ASN HD21 . 31271 1 195 . 1 . 1 27 27 ASN HD22 H 1 7.750 0.001 . 2 . . . . A 27 ASN HD22 . 31271 1 196 . 1 . 1 28 28 XCP H H 1 8.153 0.000 . 1 . . . . A 28 XCP H . 31271 1 197 . 1 . 1 28 28 XCP HA H 1 2.879 0.003 . 1 . . . . A 28 XCP HA . 31271 1 198 . 1 . 1 28 28 XCP HB H 1 4.415 0.002 . 1 . . . . A 28 XCP HB . 31271 1 199 . 1 . 1 28 28 XCP HD H 1 1.894 0.001 . 1 . . . . A 28 XCP HD . 31271 1 200 . 1 . 1 28 28 XCP HDA H 1 1.894 0.001 . 1 . . . . A 28 XCP HDA . 31271 1 201 . 1 . 1 28 28 XCP HE H 1 2.057 0.000 . 1 . . . . A 28 XCP HE . 31271 1 202 . 1 . 1 28 28 XCP HEA H 1 2.057 0.000 . 1 . . . . A 28 XCP HEA . 31271 1 203 . 1 . 1 28 28 XCP HG H 1 1.783 0.000 . 1 . . . . A 28 XCP HG . 31271 1 204 . 1 . 1 28 28 XCP HGA H 1 2.144 0.003 . 1 1 . . . A 28 XCP HGA . 31271 1 205 . 1 . 1 29 29 LYS H H 1 8.459 0.001 . 1 . . . . A 29 LYS H . 31271 1 206 . 1 . 1 29 29 LYS HA H 1 3.981 0.003 . 1 . . . . A 29 LYS HA . 31271 1 207 . 1 . 1 29 29 LYS HB2 H 1 2.013 0.002 . 2 . . . . A 29 LYS HB2 . 31271 1 208 . 1 . 1 29 29 LYS HB3 H 1 1.419 0.000 . 2 . . . . A 29 LYS HB3 . 31271 1 209 . 1 . 1 29 29 LYS HG2 H 1 1.863 0.005 . 2 . . . . A 29 LYS HG2 . 31271 1 210 . 1 . 1 29 29 LYS HG3 H 1 1.863 0.005 . 2 . . . . A 29 LYS HG3 . 31271 1 211 . 1 . 1 29 29 LYS HD2 H 1 1.757 0.001 . 2 . . . . A 29 LYS HD2 . 31271 1 212 . 1 . 1 29 29 LYS HD3 H 1 1.757 0.001 . 2 . . . . A 29 LYS HD3 . 31271 1 213 . 1 . 1 29 29 LYS HE2 H 1 2.932 0.001 . 2 . . . . A 29 LYS HE2 . 31271 1 214 . 1 . 1 29 29 LYS HE3 H 1 2.932 0.001 . 2 . . . . A 29 LYS HE3 . 31271 1 215 . 1 . 1 30 30 LYS H H 1 8.239 0.001 . 1 . . . . A 30 LYS H . 31271 1 216 . 1 . 1 30 30 LYS HA H 1 4.175 0.000 . 1 . . . . A 30 LYS HA . 31271 1 217 . 1 . 1 30 30 LYS HB2 H 1 2.079 0.001 . 2 . . . . A 30 LYS HB2 . 31271 1 218 . 1 . 1 30 30 LYS HB3 H 1 2.025 0.000 . 2 . . . . A 30 LYS HB3 . 31271 1 219 . 1 . 1 30 30 LYS HG2 H 1 1.554 0.000 . 2 . . . . A 30 LYS HG2 . 31271 1 220 . 1 . 1 30 30 LYS HG3 H 1 1.406 0.004 . 2 . . . . A 30 LYS HG3 . 31271 1 221 . 1 . 1 30 30 LYS HD2 H 1 1.703 0.001 . 2 . . . . A 30 LYS HD2 . 31271 1 222 . 1 . 1 30 30 LYS HD3 H 1 1.703 0.001 . 2 . . . . A 30 LYS HD3 . 31271 1 223 . 1 . 1 30 30 LYS HE2 H 1 2.910 0.000 . 2 . . . . A 30 LYS HE2 . 31271 1 224 . 1 . 1 30 30 LYS HE3 H 1 2.910 0.000 . 2 . . . . A 30 LYS HE3 . 31271 1 225 . 1 . 1 31 31 GLU H H 1 8.012 0.001 . 1 . . . . A 31 GLU H . 31271 1 226 . 1 . 1 31 31 GLU HA H 1 4.165 0.001 . 1 . . . . A 31 GLU HA . 31271 1 227 . 1 . 1 31 31 GLU HB2 H 1 2.189 0.000 . 2 . . . . A 31 GLU HB2 . 31271 1 228 . 1 . 1 31 31 GLU HB3 H 1 2.189 0.000 . 2 . . . . A 31 GLU HB3 . 31271 1 229 . 1 . 1 31 31 GLU HG2 H 1 2.298 0.000 . 2 . . . . A 31 GLU HG2 . 31271 1 230 . 1 . 1 32 32 LYS H H 1 8.013 0.002 . 1 . . . . A 32 LYS H . 31271 1 231 . 1 . 1 32 32 LYS HA H 1 4.304 0.003 . 1 . . . . A 32 LYS HA . 31271 1 232 . 1 . 1 32 32 LYS HB2 H 1 1.704 0.000 . 2 . . . . A 32 LYS HB2 . 31271 1 233 . 1 . 1 32 32 LYS HB3 H 1 1.657 0.000 . 2 . . . . A 32 LYS HB3 . 31271 1 234 . 1 . 1 32 32 LYS HG2 H 1 1.454 0.000 . 2 . . . . A 32 LYS HG2 . 31271 1 235 . 1 . 1 32 32 LYS HG3 H 1 1.141 0.000 . 2 . . . . A 32 LYS HG3 . 31271 1 236 . 1 . 1 32 32 LYS HD2 H 1 1.540 0.001 . 2 . . . . A 32 LYS HD2 . 31271 1 237 . 1 . 1 32 32 LYS HD3 H 1 1.540 0.001 . 2 . . . . A 32 LYS HD3 . 31271 1 238 . 1 . 1 32 32 LYS HE2 H 1 2.877 0.003 . 2 . . . . A 32 LYS HE2 . 31271 1 239 . 1 . 1 32 32 LYS HE3 H 1 2.877 0.003 . 2 . . . . A 32 LYS HE3 . 31271 1 240 . 1 . 1 33 33 GLY H H 1 8.096 0.002 . 1 . . . . A 33 GLY H . 31271 1 241 . 1 . 1 33 33 GLY HA2 H 1 3.882 0.001 . 2 . . . . A 33 GLY HA2 . 31271 1 242 . 1 . 1 34 34 LEU H H 1 8.046 0.001 . 1 . . . . A 34 LEU H . 31271 1 243 . 1 . 1 34 34 LEU HA H 1 4.321 0.002 . 1 . . . . A 34 LEU HA . 31271 1 244 . 1 . 1 34 34 LEU HB2 H 1 1.482 0.001 . 2 . . . . A 34 LEU HB2 . 31271 1 245 . 1 . 1 34 34 LEU HB3 H 1 1.419 0.001 . 2 . . . . A 34 LEU HB3 . 31271 1 246 . 1 . 1 34 34 LEU HG H 1 1.453 0.000 . 1 . . . . A 34 LEU HG . 31271 1 247 . 1 . 1 34 34 LEU HD11 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD11 . 31271 1 248 . 1 . 1 34 34 LEU HD12 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD12 . 31271 1 249 . 1 . 1 34 34 LEU HD13 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD13 . 31271 1 250 . 1 . 1 34 34 LEU HD21 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD21 . 31271 1 251 . 1 . 1 34 34 LEU HD22 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD22 . 31271 1 252 . 1 . 1 34 34 LEU HD23 H 1 0.793 0.002 . 2 . . . . A 34 LEU HD23 . 31271 1 253 . 1 . 1 35 35 PHE H H 1 8.144 0.001 . 1 . . . . A 35 PHE H . 31271 1 254 . 1 . 1 35 35 PHE HA H 1 4.573 0.002 . 1 . . . . A 35 PHE HA . 31271 1 255 . 1 . 1 35 35 PHE HB2 H 1 3.195 0.002 . 2 . . . . A 35 PHE HB2 . 31271 1 256 . 1 . 1 35 35 PHE HB3 H 1 2.955 0.002 . 2 . . . . A 35 PHE HB3 . 31271 1 257 . 1 . 1 35 35 PHE HD1 H 1 7.270 0.002 . 3 . . . . A 35 PHE HD1 . 31271 1 258 . 1 . 1 35 35 PHE HD2 H 1 7.270 0.002 . 3 . . . . A 35 PHE HD2 . 31271 1 259 . 1 . 1 35 35 PHE HE1 H 1 7.357 0.003 . 3 . . . . A 35 PHE HE1 . 31271 1 260 . 1 . 1 35 35 PHE HE2 H 1 7.357 0.003 . 3 . . . . A 35 PHE HE2 . 31271 1 261 . 1 . 1 35 35 PHE HZ H 1 7.304 0.000 . 1 . . . . A 35 PHE HZ . 31271 1 262 . 1 . 1 36 36 NH2 HN1 H 1 7.152 0.000 . 2 . . . . A 36 NH2 HN1 . 31271 1 263 . 1 . 1 36 36 NH2 HN2 H 1 7.441 0.001 . 2 . . . . A 36 NH2 HN2 . 31271 1 stop_ save_