################################### # 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 31031 _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' . . . 31031 1 2 '2D 1H-1H TOCSY' . . . 31031 1 3 '2D 1H-1H COSY' . . . 31031 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 ASP HA H 1 4.385 0.000 . 1 . . . . A 1 ASP HA . 31031 1 2 . 1 . 1 1 1 ASP HB2 H 1 2.671 0.000 . 2 . . . . A 1 ASP HB2 . 31031 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.434 0.000 . 2 . . . . A 1 ASP HB3 . 31031 1 4 . 1 . 1 2 2 THR H H 1 8.745 0.000 . 1 . . . . A 2 THR H . 31031 1 5 . 1 . 1 2 2 THR HA H 1 4.883 0.000 . 1 . . . . A 2 THR HA . 31031 1 6 . 1 . 1 2 2 THR HB H 1 3.866 0.002 . 1 . . . . A 2 THR HB . 31031 1 7 . 1 . 1 2 2 THR HG21 H 1 1.200 0.002 . 1 . . . . A 2 THR HG21 . 31031 1 8 . 1 . 1 2 2 THR HG22 H 1 1.200 0.002 . 1 . . . . A 2 THR HG22 . 31031 1 9 . 1 . 1 2 2 THR HG23 H 1 1.200 0.002 . 1 . . . . A 2 THR HG23 . 31031 1 10 . 1 . 1 3 3 TYR H H 1 9.309 0.002 . 1 . . . . A 3 TYR H . 31031 1 11 . 1 . 1 3 3 TYR HA H 1 5.327 0.002 . 1 . . . . A 3 TYR HA . 31031 1 12 . 1 . 1 3 3 TYR HB2 H 1 3.319 0.001 . 2 . . . . A 3 TYR HB2 . 31031 1 13 . 1 . 1 3 3 TYR HB3 H 1 2.807 0.001 . 2 . . . . A 3 TYR HB3 . 31031 1 14 . 1 . 1 3 3 TYR HD1 H 1 7.164 0.001 . 1 . . . . A 3 TYR HD1 . 31031 1 15 . 1 . 1 3 3 TYR HD2 H 1 7.164 0.001 . 1 . . . . A 3 TYR HD2 . 31031 1 16 . 1 . 1 3 3 TYR HE1 H 1 6.986 0.000 . 1 . . . . A 3 TYR HE1 . 31031 1 17 . 1 . 1 3 3 TYR HE2 H 1 6.986 0.000 . 1 . . . . A 3 TYR HE2 . 31031 1 18 . 1 . 1 4 4 LYS H H 1 9.082 0.001 . 1 . . . . A 4 LYS H . 31031 1 19 . 1 . 1 4 4 LYS HA H 1 5.239 0.001 . 1 . . . . A 4 LYS HA . 31031 1 20 . 1 . 1 4 4 LYS HB2 H 1 2.053 0.000 . 2 . . . . A 4 LYS HB2 . 31031 1 21 . 1 . 1 4 4 LYS HB3 H 1 1.849 0.000 . 2 . . . . A 4 LYS HB3 . 31031 1 22 . 1 . 1 4 4 LYS HG2 H 1 1.477 0.000 . 2 . . . . A 4 LYS HG2 . 31031 1 23 . 1 . 1 4 4 LYS HG3 H 1 1.340 0.000 . 2 . . . . A 4 LYS HG3 . 31031 1 24 . 1 . 1 4 4 LYS HD2 H 1 1.622 0.002 . 1 . . . . A 4 LYS HD2 . 31031 1 25 . 1 . 1 4 4 LYS HD3 H 1 1.622 0.002 . 1 . . . . A 4 LYS HD3 . 31031 1 26 . 1 . 1 4 4 LYS HE2 H 1 2.851 0.000 . 2 . . . . A 4 LYS HE2 . 31031 1 27 . 1 . 1 4 4 LYS HE3 H 1 2.757 0.000 . 2 . . . . A 4 LYS HE3 . 31031 1 28 . 1 . 1 5 5 LEU H H 1 8.617 0.002 . 1 . . . . A 5 LEU H . 31031 1 29 . 1 . 1 5 5 LEU HA H 1 4.982 0.001 . 1 . . . . A 5 LEU HA . 31031 1 30 . 1 . 1 5 5 LEU HB2 H 1 0.700 0.002 . 2 . . . . A 5 LEU HB2 . 31031 1 31 . 1 . 1 5 5 LEU HB3 H 1 -0.990 0.001 . 2 . . . . A 5 LEU HB3 . 31031 1 32 . 1 . 1 5 5 LEU HG H 1 0.846 0.002 . 1 . . . . A 5 LEU HG . 31031 1 33 . 1 . 1 5 5 LEU HD11 H 1 0.512 0.001 . 2 . . . . A 5 LEU HD11 . 31031 1 34 . 1 . 1 5 5 LEU HD12 H 1 0.512 0.001 . 2 . . . . A 5 LEU HD12 . 31031 1 35 . 1 . 1 5 5 LEU HD13 H 1 0.512 0.001 . 2 . . . . A 5 LEU HD13 . 31031 1 36 . 1 . 1 5 5 LEU HD21 H 1 0.560 0.001 . 2 . . . . A 5 LEU HD21 . 31031 1 37 . 1 . 1 5 5 LEU HD22 H 1 0.560 0.001 . 2 . . . . A 5 LEU HD22 . 31031 1 38 . 1 . 1 5 5 LEU HD23 H 1 0.560 0.001 . 2 . . . . A 5 LEU HD23 . 31031 1 39 . 1 . 1 6 6 ILE H H 1 9.079 0.001 . 1 . . . . A 6 ILE H . 31031 1 40 . 1 . 1 6 6 ILE HA H 1 4.299 0.001 . 1 . . . . A 6 ILE HA . 31031 1 41 . 1 . 1 6 6 ILE HB H 1 1.977 0.003 . 1 . . . . A 6 ILE HB . 31031 1 42 . 1 . 1 6 6 ILE HG12 H 1 1.417 0.001 . 2 . . . . A 6 ILE HG12 . 31031 1 43 . 1 . 1 6 6 ILE HG13 H 1 1.094 0.001 . 2 . . . . A 6 ILE HG13 . 31031 1 44 . 1 . 1 6 6 ILE HG21 H 1 0.805 0.000 . 1 . . . . A 6 ILE HG21 . 31031 1 45 . 1 . 1 6 6 ILE HG22 H 1 0.805 0.000 . 1 . . . . A 6 ILE HG22 . 31031 1 46 . 1 . 1 6 6 ILE HG23 H 1 0.805 0.000 . 1 . . . . A 6 ILE HG23 . 31031 1 47 . 1 . 1 6 6 ILE HD11 H 1 0.769 0.001 . 1 . . . . A 6 ILE HD11 . 31031 1 48 . 1 . 1 6 6 ILE HD12 H 1 0.769 0.001 . 1 . . . . A 6 ILE HD12 . 31031 1 49 . 1 . 1 6 6 ILE HD13 H 1 0.769 0.001 . 1 . . . . A 6 ILE HD13 . 31031 1 50 . 1 . 1 7 7 LEU H H 1 8.667 0.002 . 1 . . . . A 7 LEU H . 31031 1 51 . 1 . 1 7 7 LEU HA H 1 4.472 0.001 . 1 . . . . A 7 LEU HA . 31031 1 52 . 1 . 1 7 7 LEU HB2 H 1 1.389 0.001 . 1 . . . . A 7 LEU HB2 . 31031 1 53 . 1 . 1 7 7 LEU HB3 H 1 1.389 0.001 . 1 . . . . A 7 LEU HB3 . 31031 1 54 . 1 . 1 7 7 LEU HG H 1 1.292 0.002 . 1 . . . . A 7 LEU HG . 31031 1 55 . 1 . 1 7 7 LEU HD11 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD11 . 31031 1 56 . 1 . 1 7 7 LEU HD12 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD12 . 31031 1 57 . 1 . 1 7 7 LEU HD13 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD13 . 31031 1 58 . 1 . 1 7 7 LEU HD21 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD21 . 31031 1 59 . 1 . 1 7 7 LEU HD22 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD22 . 31031 1 60 . 1 . 1 7 7 LEU HD23 H 1 0.757 0.000 . 1 . . . . A 7 LEU HD23 . 31031 1 61 . 1 . 1 8 8 ASN H H 1 8.844 0.000 . 1 . . . . A 8 ASN H . 31031 1 62 . 1 . 1 8 8 ASN HA H 1 5.264 0.001 . 1 . . . . A 8 ASN HA . 31031 1 63 . 1 . 1 8 8 ASN HB2 H 1 2.973 0.002 . 2 . . . . A 8 ASN HB2 . 31031 1 64 . 1 . 1 8 8 ASN HB3 H 1 2.560 0.003 . 2 . . . . A 8 ASN HB3 . 31031 1 65 . 1 . 1 8 8 ASN HD21 H 1 6.801 0.000 . 2 . . . . A 8 ASN HD21 . 31031 1 66 . 1 . 1 8 8 ASN HD22 H 1 7.088 0.000 . 2 . . . . A 8 ASN HD22 . 31031 1 67 . 1 . 1 9 9 GLY H H 1 7.994 0.001 . 1 . . . . A 9 GLY H . 31031 1 68 . 1 . 1 9 9 GLY HA2 H 1 4.437 0.000 . 2 . . . . A 9 GLY HA2 . 31031 1 69 . 1 . 1 9 9 GLY HA3 H 1 4.101 0.000 . 2 . . . . A 9 GLY HA3 . 31031 1 70 . 1 . 1 10 10 LYS H H 1 9.359 0.000 . 1 . . . . A 10 LYS H . 31031 1 71 . 1 . 1 10 10 LYS HA H 1 4.072 0.002 . 1 . . . . A 10 LYS HA . 31031 1 72 . 1 . 1 10 10 LYS HB2 H 1 1.827 0.002 . 1 . . . . A 10 LYS HB2 . 31031 1 73 . 1 . 1 10 10 LYS HB3 H 1 1.827 0.002 . 1 . . . . A 10 LYS HB3 . 31031 1 74 . 1 . 1 10 10 LYS HG2 H 1 1.448 0.000 . 1 . . . . A 10 LYS HG2 . 31031 1 75 . 1 . 1 10 10 LYS HG3 H 1 1.448 0.000 . 1 . . . . A 10 LYS HG3 . 31031 1 76 . 1 . 1 10 10 LYS HD2 H 1 1.692 0.001 . 1 . . . . A 10 LYS HD2 . 31031 1 77 . 1 . 1 10 10 LYS HD3 H 1 1.692 0.001 . 1 . . . . A 10 LYS HD3 . 31031 1 78 . 1 . 1 10 10 LYS HE2 H 1 2.966 0.001 . 1 . . . . A 10 LYS HE2 . 31031 1 79 . 1 . 1 10 10 LYS HE3 H 1 2.966 0.001 . 1 . . . . A 10 LYS HE3 . 31031 1 80 . 1 . 1 11 11 THR H H 1 8.801 0.001 . 1 . . . . A 11 THR H . 31031 1 81 . 1 . 1 11 11 THR HA H 1 4.394 0.001 . 1 . . . . A 11 THR HA . 31031 1 82 . 1 . 1 11 11 THR HB H 1 4.237 0.001 . 1 . . . . A 11 THR HB . 31031 1 83 . 1 . 1 11 11 THR HG21 H 1 1.148 0.001 . 1 . . . . A 11 THR HG21 . 31031 1 84 . 1 . 1 11 11 THR HG22 H 1 1.148 0.001 . 1 . . . . A 11 THR HG22 . 31031 1 85 . 1 . 1 11 11 THR HG23 H 1 1.148 0.001 . 1 . . . . A 11 THR HG23 . 31031 1 86 . 1 . 1 12 12 LEU H H 1 7.466 0.000 . 1 . . . . A 12 LEU H . 31031 1 87 . 1 . 1 12 12 LEU HA H 1 4.470 0.002 . 1 . . . . A 12 LEU HA . 31031 1 88 . 1 . 1 12 12 LEU HB2 H 1 1.582 0.001 . 2 . . . . A 12 LEU HB2 . 31031 1 89 . 1 . 1 12 12 LEU HB3 H 1 1.461 0.003 . 2 . . . . A 12 LEU HB3 . 31031 1 90 . 1 . 1 12 12 LEU HG H 1 1.456 0.005 . 1 . . . . A 12 LEU HG . 31031 1 91 . 1 . 1 12 12 LEU HD11 H 1 0.837 0.003 . 2 . . . . A 12 LEU HD11 . 31031 1 92 . 1 . 1 12 12 LEU HD12 H 1 0.837 0.003 . 2 . . . . A 12 LEU HD12 . 31031 1 93 . 1 . 1 12 12 LEU HD13 H 1 0.837 0.003 . 2 . . . . A 12 LEU HD13 . 31031 1 94 . 1 . 1 12 12 LEU HD21 H 1 0.893 0.002 . 2 . . . . A 12 LEU HD21 . 31031 1 95 . 1 . 1 12 12 LEU HD22 H 1 0.893 0.002 . 2 . . . . A 12 LEU HD22 . 31031 1 96 . 1 . 1 12 12 LEU HD23 H 1 0.893 0.002 . 2 . . . . A 12 LEU HD23 . 31031 1 97 . 1 . 1 13 13 LYS H H 1 8.157 0.001 . 1 . . . . A 13 LYS H . 31031 1 98 . 1 . 1 13 13 LYS HA H 1 5.155 0.001 . 1 . . . . A 13 LYS HA . 31031 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.905 0.002 . 2 . . . . A 13 LYS HB2 . 31031 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.750 0.004 . 2 . . . . A 13 LYS HB3 . 31031 1 101 . 1 . 1 13 13 LYS HG2 H 1 1.459 0.000 . 1 . . . . A 13 LYS HG2 . 31031 1 102 . 1 . 1 13 13 LYS HG3 H 1 1.459 0.000 . 1 . . . . A 13 LYS HG3 . 31031 1 103 . 1 . 1 13 13 LYS HD2 H 1 1.692 0.000 . 1 . . . . A 13 LYS HD2 . 31031 1 104 . 1 . 1 13 13 LYS HD3 H 1 1.692 0.000 . 1 . . . . A 13 LYS HD3 . 31031 1 105 . 1 . 1 13 13 LYS HE2 H 1 3.002 0.001 . 2 . . . . A 13 LYS HE2 . 31031 1 106 . 1 . 1 13 13 LYS HE3 H 1 2.935 0.000 . 2 . . . . A 13 LYS HE3 . 31031 1 107 . 1 . 1 14 14 GLY H H 1 8.457 0.001 . 1 . . . . A 14 GLY H . 31031 1 108 . 1 . 1 14 14 GLY HA2 H 1 4.328 0.003 . 2 . . . . A 14 GLY HA2 . 31031 1 109 . 1 . 1 14 14 GLY HA3 H 1 4.143 0.001 . 2 . . . . A 14 GLY HA3 . 31031 1 110 . 1 . 1 15 15 GLU H H 1 8.394 0.000 . 1 . . . . A 15 GLU H . 31031 1 111 . 1 . 1 15 15 GLU HA H 1 5.548 0.001 . 1 . . . . A 15 GLU HA . 31031 1 112 . 1 . 1 15 15 GLU HB2 H 1 2.031 0.000 . 2 . . . . A 15 GLU HB2 . 31031 1 113 . 1 . 1 15 15 GLU HB3 H 1 1.933 0.000 . 2 . . . . A 15 GLU HB3 . 31031 1 114 . 1 . 1 15 15 GLU HG2 H 1 2.127 0.000 . 1 . . . . A 15 GLU HG2 . 31031 1 115 . 1 . 1 15 15 GLU HG3 H 1 2.127 0.000 . 1 . . . . A 15 GLU HG3 . 31031 1 116 . 1 . 1 16 16 THR H H 1 8.746 0.001 . 1 . . . . A 16 THR H . 31031 1 117 . 1 . 1 16 16 THR HA H 1 4.748 0.000 . 1 . . . . A 16 THR HA . 31031 1 118 . 1 . 1 16 16 THR HB H 1 3.877 0.000 . 1 . . . . A 16 THR HB . 31031 1 119 . 1 . 1 16 16 THR HG21 H 1 0.311 0.001 . 1 . . . . A 16 THR HG21 . 31031 1 120 . 1 . 1 16 16 THR HG22 H 1 0.311 0.001 . 1 . . . . A 16 THR HG22 . 31031 1 121 . 1 . 1 16 16 THR HG23 H 1 0.311 0.001 . 1 . . . . A 16 THR HG23 . 31031 1 122 . 1 . 1 17 17 THR H H 1 8.012 0.003 . 1 . . . . A 17 THR H . 31031 1 123 . 1 . 1 17 17 THR HA H 1 5.887 0.001 . 1 . . . . A 17 THR HA . 31031 1 124 . 1 . 1 17 17 THR HB H 1 4.296 0.002 . 1 . . . . A 17 THR HB . 31031 1 125 . 1 . 1 17 17 THR HG21 H 1 1.180 0.001 . 1 . . . . A 17 THR HG21 . 31031 1 126 . 1 . 1 17 17 THR HG22 H 1 1.180 0.001 . 1 . . . . A 17 THR HG22 . 31031 1 127 . 1 . 1 17 17 THR HG23 H 1 1.180 0.001 . 1 . . . . A 17 THR HG23 . 31031 1 128 . 1 . 1 18 18 THR H H 1 9.218 0.000 . 1 . . . . A 18 THR H . 31031 1 129 . 1 . 1 18 18 THR HA H 1 4.720 0.001 . 1 . . . . A 18 THR HA . 31031 1 130 . 1 . 1 18 18 THR HB H 1 3.868 0.001 . 1 . . . . A 18 THR HB . 31031 1 131 . 1 . 1 18 18 THR HG21 H 1 0.587 0.001 . 1 . . . . A 18 THR HG21 . 31031 1 132 . 1 . 1 18 18 THR HG22 H 1 0.587 0.001 . 1 . . . . A 18 THR HG22 . 31031 1 133 . 1 . 1 18 18 THR HG23 H 1 0.587 0.001 . 1 . . . . A 18 THR HG23 . 31031 1 134 . 1 . 1 19 19 GLU H H 1 8.020 0.001 . 1 . . . . A 19 GLU H . 31031 1 135 . 1 . 1 19 19 GLU HA H 1 5.307 0.001 . 1 . . . . A 19 GLU HA . 31031 1 136 . 1 . 1 19 19 GLU HB2 H 1 1.963 0.001 . 1 . . . . A 19 GLU HB2 . 31031 1 137 . 1 . 1 19 19 GLU HB3 H 1 1.963 0.001 . 1 . . . . A 19 GLU HB3 . 31031 1 138 . 1 . 1 19 19 GLU HG2 H 1 2.282 0.002 . 2 . . . . A 19 GLU HG2 . 31031 1 139 . 1 . 1 19 19 GLU HG3 H 1 2.174 0.001 . 2 . . . . A 19 GLU HG3 . 31031 1 140 . 1 . 1 20 20 ALA H H 1 9.225 0.001 . 1 . . . . A 20 ALA H . 31031 1 141 . 1 . 1 20 20 ALA HA H 1 4.892 0.002 . 1 . . . . A 20 ALA HA . 31031 1 142 . 1 . 1 20 20 ALA HB1 H 1 1.347 0.000 . 1 . . . . A 20 ALA HB1 . 31031 1 143 . 1 . 1 20 20 ALA HB2 H 1 1.347 0.000 . 1 . . . . A 20 ALA HB2 . 31031 1 144 . 1 . 1 20 20 ALA HB3 H 1 1.347 0.000 . 1 . . . . A 20 ALA HB3 . 31031 1 145 . 1 . 1 21 21 VAL H H 1 8.529 0.001 . 1 . . . . A 21 VAL H . 31031 1 146 . 1 . 1 21 21 VAL HA H 1 4.215 0.002 . 1 . . . . A 21 VAL HA . 31031 1 147 . 1 . 1 21 21 VAL HB H 1 2.229 0.002 . 1 . . . . A 21 VAL HB . 31031 1 148 . 1 . 1 21 21 VAL HG11 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG11 . 31031 1 149 . 1 . 1 21 21 VAL HG12 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG12 . 31031 1 150 . 1 . 1 21 21 VAL HG13 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG13 . 31031 1 151 . 1 . 1 21 21 VAL HG21 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG21 . 31031 1 152 . 1 . 1 21 21 VAL HG22 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG22 . 31031 1 153 . 1 . 1 21 21 VAL HG23 H 1 1.020 0.001 . 1 . . . . A 21 VAL HG23 . 31031 1 154 . 1 . 1 22 22 ASP H H 1 7.510 0.001 . 1 . . . . A 22 ASP H . 31031 1 155 . 1 . 1 22 22 ASP HA H 1 4.740 0.001 . 1 . . . . A 22 ASP HA . 31031 1 156 . 1 . 1 22 22 ASP HB2 H 1 2.838 0.002 . 1 . . . . A 22 ASP HB2 . 31031 1 157 . 1 . 1 22 22 ASP HB3 H 1 2.838 0.002 . 1 . . . . A 22 ASP HB3 . 31031 1 158 . 1 . 1 23 23 ALA H H 1 8.143 0.001 . 1 . . . . A 23 ALA H . 31031 1 159 . 1 . 1 23 23 ALA HA H 1 3.186 0.000 . 1 . . . . A 23 ALA HA . 31031 1 160 . 1 . 1 23 23 ALA HB1 H 1 1.196 0.001 . 1 . . . . A 23 ALA HB1 . 31031 1 161 . 1 . 1 23 23 ALA HB2 H 1 1.196 0.001 . 1 . . . . A 23 ALA HB2 . 31031 1 162 . 1 . 1 23 23 ALA HB3 H 1 1.196 0.001 . 1 . . . . A 23 ALA HB3 . 31031 1 163 . 1 . 1 24 24 XCP HA H 1 2.454 0.001 . 1 . . . . A 24 XCP HA . 31031 1 164 . 1 . 1 24 24 XCP HB H 1 4.220 0.004 . 1 . . . . A 24 XCP HB . 31031 1 165 . 1 . 1 24 24 XCP HD H 1 1.591 0.001 . 1 . . . . A 24 XCP HD . 31031 1 166 . 1 . 1 24 24 XCP HE H 1 1.706 0.000 . 2 . . . . A 24 XCP HE . 31031 1 167 . 1 . 1 24 24 XCP HEA H 1 1.829 0.000 . 2 . . . . A 24 XCP HEA . 31031 1 168 . 1 . 1 24 24 XCP HG H 1 1.520 0.001 . 2 . . . . A 24 XCP HG . 31031 1 169 . 1 . 1 24 24 XCP HGA H 1 1.952 0.000 . 2 . . . . A 24 XCP HGA . 31031 1 170 . 1 . 1 24 24 XCP HN H 1 7.490 0.001 . 1 . . . . A 24 XCP HN . 31031 1 171 . 1 . 1 25 25 THR H H 1 8.111 0.000 . 1 . . . . A 25 THR H . 31031 1 172 . 1 . 1 25 25 THR HA H 1 3.600 0.001 . 1 . . . . A 25 THR HA . 31031 1 173 . 1 . 1 25 25 THR HB H 1 4.063 0.002 . 1 . . . . A 25 THR HB . 31031 1 174 . 1 . 1 25 25 THR HG21 H 1 1.222 0.001 . 1 . . . . A 25 THR HG21 . 31031 1 175 . 1 . 1 25 25 THR HG22 H 1 1.222 0.001 . 1 . . . . A 25 THR HG22 . 31031 1 176 . 1 . 1 25 25 THR HG23 H 1 1.222 0.001 . 1 . . . . A 25 THR HG23 . 31031 1 177 . 1 . 1 26 26 ALA H H 1 7.104 0.000 . 1 . . . . A 26 ALA H . 31031 1 178 . 1 . 1 26 26 ALA HA H 1 3.194 0.002 . 1 . . . . A 26 ALA HA . 31031 1 179 . 1 . 1 26 26 ALA HB1 H 1 0.651 0.002 . 1 . . . . A 26 ALA HB1 . 31031 1 180 . 1 . 1 26 26 ALA HB2 H 1 0.651 0.002 . 1 . . . . A 26 ALA HB2 . 31031 1 181 . 1 . 1 26 26 ALA HB3 H 1 0.651 0.002 . 1 . . . . A 26 ALA HB3 . 31031 1 182 . 1 . 1 27 27 GLU H H 1 8.040 0.001 . 1 . . . . A 27 GLU H . 31031 1 183 . 1 . 1 27 27 GLU HA H 1 2.759 0.001 . 1 . . . . A 27 GLU HA . 31031 1 184 . 1 . 1 27 27 GLU HB2 H 1 2.042 0.004 . 2 . . . . A 27 GLU HB2 . 31031 1 185 . 1 . 1 27 27 GLU HB3 H 1 1.769 0.001 . 2 . . . . A 27 GLU HB3 . 31031 1 186 . 1 . 1 27 27 GLU HG2 H 1 1.647 0.002 . 1 . . . . A 27 GLU HG2 . 31031 1 187 . 1 . 1 27 27 GLU HG3 H 1 1.647 0.002 . 1 . . . . A 27 GLU HG3 . 31031 1 188 . 1 . 1 28 28 B3K H H 1 7.386 0.001 . 1 . . . . A 28 B3K H . 31031 1 189 . 1 . 1 28 28 B3K HA1 H 1 2.197 0.001 . 2 . . . . A 28 B3K HA1 . 31031 1 190 . 1 . 1 28 28 B3K HA2 H 1 2.444 0.000 . 2 . . . . A 28 B3K HA2 . 31031 1 191 . 1 . 1 28 28 B3K HB H 1 3.953 0.001 . 1 . . . . A 28 B3K HB . 31031 1 192 . 1 . 1 28 28 B3K HD2 H 1 1.129 0.001 . 2 . . . . A 28 B3K HD2 . 31031 1 193 . 1 . 1 28 28 B3K HD3 H 1 1.282 0.001 . 2 . . . . A 28 B3K HD3 . 31031 1 194 . 1 . 1 28 28 B3K HE2 H 1 1.484 0.000 . 2 . . . . A 28 B3K HE2 . 31031 1 195 . 1 . 1 28 28 B3K HE3 H 1 1.511 0.000 . 2 . . . . A 28 B3K HE3 . 31031 1 196 . 1 . 1 28 28 B3K HF1 H 1 2.789 0.001 . 1 . . . . A 28 B3K HF1 . 31031 1 197 . 1 . 1 28 28 B3K HG2 H 1 1.469 0.002 . 2 . . . . A 28 B3K HG2 . 31031 1 198 . 1 . 1 28 28 B3K HG3 H 1 1.537 0.001 . 2 . . . . A 28 B3K HG3 . 31031 1 199 . 1 . 1 29 29 VAL H H 1 7.271 0.001 . 1 . . . . A 29 VAL H . 31031 1 200 . 1 . 1 29 29 VAL HA H 1 3.453 0.000 . 1 . . . . A 29 VAL HA . 31031 1 201 . 1 . 1 29 29 VAL HB H 1 1.762 0.001 . 1 . . . . A 29 VAL HB . 31031 1 202 . 1 . 1 29 29 VAL HG11 H 1 0.770 0.002 . 2 . . . . A 29 VAL HG11 . 31031 1 203 . 1 . 1 29 29 VAL HG12 H 1 0.770 0.002 . 2 . . . . A 29 VAL HG12 . 31031 1 204 . 1 . 1 29 29 VAL HG13 H 1 0.770 0.002 . 2 . . . . A 29 VAL HG13 . 31031 1 205 . 1 . 1 29 29 VAL HG21 H 1 0.898 0.000 . 2 . . . . A 29 VAL HG21 . 31031 1 206 . 1 . 1 29 29 VAL HG22 H 1 0.898 0.000 . 2 . . . . A 29 VAL HG22 . 31031 1 207 . 1 . 1 29 29 VAL HG23 H 1 0.898 0.000 . 2 . . . . A 29 VAL HG23 . 31031 1 208 . 1 . 1 30 30 PHE H H 1 8.488 0.001 . 1 . . . . A 30 PHE H . 31031 1 209 . 1 . 1 30 30 PHE HA H 1 4.815 0.002 . 1 . . . . A 30 PHE HA . 31031 1 210 . 1 . 1 30 30 PHE HB2 H 1 3.261 0.001 . 2 . . . . A 30 PHE HB2 . 31031 1 211 . 1 . 1 30 30 PHE HB3 H 1 2.779 0.002 . 2 . . . . A 30 PHE HB3 . 31031 1 212 . 1 . 1 30 30 PHE HD1 H 1 6.457 0.001 . 1 . . . . A 30 PHE HD1 . 31031 1 213 . 1 . 1 30 30 PHE HD2 H 1 6.457 0.001 . 1 . . . . A 30 PHE HD2 . 31031 1 214 . 1 . 1 30 30 PHE HE1 H 1 7.043 0.000 . 1 . . . . A 30 PHE HE1 . 31031 1 215 . 1 . 1 30 30 PHE HE2 H 1 7.043 0.000 . 1 . . . . A 30 PHE HE2 . 31031 1 216 . 1 . 1 30 30 PHE HZ H 1 7.130 0.000 . 1 . . . . A 30 PHE HZ . 31031 1 217 . 1 . 1 31 31 B3K H H 1 8.735 0.000 . 1 . . . . A 31 B3K H . 31031 1 218 . 1 . 1 31 31 B3K HA1 H 1 2.086 0.002 . 2 . . . . A 31 B3K HA1 . 31031 1 219 . 1 . 1 31 31 B3K HA2 H 1 2.397 0.001 . 2 . . . . A 31 B3K HA2 . 31031 1 220 . 1 . 1 31 31 B3K HB H 1 4.197 0.001 . 1 . . . . A 31 B3K HB . 31031 1 221 . 1 . 1 31 31 B3K HD2 H 1 0.861 0.004 . 1 . . . . A 31 B3K HD2 . 31031 1 222 . 1 . 1 31 31 B3K HE2 H 1 0.394 0.001 . 1 . . . . A 31 B3K HE2 . 31031 1 223 . 1 . 1 31 31 B3K HF1 H 1 1.734 0.000 . 2 . . . . A 31 B3K HF1 . 31031 1 224 . 1 . 1 31 31 B3K HF2 H 1 1.808 0.000 . 2 . . . . A 31 B3K HF2 . 31031 1 225 . 1 . 1 31 31 B3K HG2 H 1 0.626 0.002 . 2 . . . . A 31 B3K HG2 . 31031 1 226 . 1 . 1 31 31 B3K HG3 H 1 1.155 0.000 . 2 . . . . A 31 B3K HG3 . 31031 1 227 . 1 . 1 32 32 GLN H H 1 7.303 0.000 . 1 . . . . A 32 GLN H . 31031 1 228 . 1 . 1 32 32 GLN HA H 1 3.846 0.001 . 1 . . . . A 32 GLN HA . 31031 1 229 . 1 . 1 32 32 GLN HB2 H 1 2.241 0.000 . 2 . . . . A 32 GLN HB2 . 31031 1 230 . 1 . 1 32 32 GLN HB3 H 1 2.176 0.000 . 2 . . . . A 32 GLN HB3 . 31031 1 231 . 1 . 1 32 32 GLN HG2 H 1 2.412 0.000 . 1 . . . . A 32 GLN HG2 . 31031 1 232 . 1 . 1 32 32 GLN HG3 H 1 2.412 0.000 . 1 . . . . A 32 GLN HG3 . 31031 1 233 . 1 . 1 32 32 GLN HE21 H 1 6.842 0.000 . 2 . . . . A 32 GLN HE21 . 31031 1 234 . 1 . 1 32 32 GLN HE22 H 1 7.781 0.000 . 2 . . . . A 32 GLN HE22 . 31031 1 235 . 1 . 1 33 33 TYR H H 1 8.789 0.001 . 1 . . . . A 33 TYR H . 31031 1 236 . 1 . 1 33 33 TYR HA H 1 4.265 0.002 . 1 . . . . A 33 TYR HA . 31031 1 237 . 1 . 1 33 33 TYR HB2 H 1 3.421 0.000 . 2 . . . . A 33 TYR HB2 . 31031 1 238 . 1 . 1 33 33 TYR HB3 H 1 3.353 0.000 . 2 . . . . A 33 TYR HB3 . 31031 1 239 . 1 . 1 33 33 TYR HD1 H 1 6.984 0.000 . 1 . . . . A 33 TYR HD1 . 31031 1 240 . 1 . 1 33 33 TYR HD2 H 1 6.984 0.000 . 1 . . . . A 33 TYR HD2 . 31031 1 241 . 1 . 1 33 33 TYR HE1 H 1 6.731 0.000 . 1 . . . . A 33 TYR HE1 . 31031 1 242 . 1 . 1 33 33 TYR HE2 H 1 6.731 0.000 . 1 . . . . A 33 TYR HE2 . 31031 1 243 . 1 . 1 34 34 ALA H H 1 9.260 0.000 . 1 . . . . A 34 ALA H . 31031 1 244 . 1 . 1 34 34 ALA HA H 1 3.870 0.000 . 1 . . . . A 34 ALA HA . 31031 1 245 . 1 . 1 34 34 ALA HB1 H 1 1.821 0.001 . 1 . . . . A 34 ALA HB1 . 31031 1 246 . 1 . 1 34 34 ALA HB2 H 1 1.821 0.001 . 1 . . . . A 34 ALA HB2 . 31031 1 247 . 1 . 1 34 34 ALA HB3 H 1 1.821 0.001 . 1 . . . . A 34 ALA HB3 . 31031 1 248 . 1 . 1 35 35 XCP HA H 1 2.783 0.001 . 1 . . . . A 35 XCP HA . 31031 1 249 . 1 . 1 35 35 XCP HB H 1 4.264 0.002 . 1 . . . . A 35 XCP HB . 31031 1 250 . 1 . 1 35 35 XCP HD H 1 1.713 0.000 . 2 . . . . A 35 XCP HD . 31031 1 251 . 1 . 1 35 35 XCP HDA H 1 1.752 0.000 . 2 . . . . A 35 XCP HDA . 31031 1 252 . 1 . 1 35 35 XCP HE H 1 1.857 0.000 . 2 . . . . A 35 XCP HE . 31031 1 253 . 1 . 1 35 35 XCP HEA H 1 1.957 0.000 . 2 . . . . A 35 XCP HEA . 31031 1 254 . 1 . 1 35 35 XCP HG H 1 1.832 0.007 . 2 . . . . A 35 XCP HG . 31031 1 255 . 1 . 1 35 35 XCP HGA H 1 2.093 0.000 . 2 . . . . A 35 XCP HGA . 31031 1 256 . 1 . 1 35 35 XCP HN H 1 7.511 0.000 . 1 . . . . A 35 XCP HN . 31031 1 257 . 1 . 1 36 36 ASP H H 1 8.995 0.000 . 1 . . . . A 36 ASP H . 31031 1 258 . 1 . 1 36 36 ASP HA H 1 4.232 0.002 . 1 . . . . A 36 ASP HA . 31031 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.768 0.003 . 2 . . . . A 36 ASP HB2 . 31031 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.481 0.002 . 2 . . . . A 36 ASP HB3 . 31031 1 261 . 1 . 1 37 37 ASN H H 1 7.261 0.000 . 1 . . . . A 37 ASN H . 31031 1 262 . 1 . 1 37 37 ASN HA H 1 4.662 0.001 . 1 . . . . A 37 ASN HA . 31031 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.638 0.001 . 2 . . . . A 37 ASN HB2 . 31031 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.479 0.001 . 2 . . . . A 37 ASN HB3 . 31031 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.254 0.000 . 2 . . . . A 37 ASN HD21 . 31031 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.718 0.000 . 2 . . . . A 37 ASN HD22 . 31031 1 267 . 1 . 1 38 38 GLY H H 1 7.713 0.001 . 1 . . . . A 38 GLY H . 31031 1 268 . 1 . 1 38 38 GLY HA2 H 1 3.950 0.000 . 2 . . . . A 38 GLY HA2 . 31031 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.879 0.000 . 2 . . . . A 38 GLY HA3 . 31031 1 270 . 1 . 1 39 39 VAL H H 1 8.631 0.001 . 1 . . . . A 39 VAL H . 31031 1 271 . 1 . 1 39 39 VAL HA H 1 4.084 0.001 . 1 . . . . A 39 VAL HA . 31031 1 272 . 1 . 1 39 39 VAL HB H 1 1.781 0.004 . 1 . . . . A 39 VAL HB . 31031 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.643 0.003 . 2 . . . . A 39 VAL HG11 . 31031 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.643 0.003 . 2 . . . . A 39 VAL HG12 . 31031 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.643 0.003 . 2 . . . . A 39 VAL HG13 . 31031 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.845 0.002 . 2 . . . . A 39 VAL HG21 . 31031 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.845 0.002 . 2 . . . . A 39 VAL HG22 . 31031 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.845 0.002 . 2 . . . . A 39 VAL HG23 . 31031 1 279 . 1 . 1 40 40 ASP H H 1 8.422 0.000 . 1 . . . . A 40 ASP H . 31031 1 280 . 1 . 1 40 40 ASP HA H 1 4.925 0.001 . 1 . . . . A 40 ASP HA . 31031 1 281 . 1 . 1 40 40 ASP HB2 H 1 2.724 0.002 . 2 . . . . A 40 ASP HB2 . 31031 1 282 . 1 . 1 40 40 ASP HB3 H 1 2.591 0.001 . 2 . . . . A 40 ASP HB3 . 31031 1 283 . 1 . 1 41 41 GLY H H 1 8.003 0.000 . 1 . . . . A 41 GLY H . 31031 1 284 . 1 . 1 41 41 GLY HA2 H 1 4.227 0.001 . 2 . . . . A 41 GLY HA2 . 31031 1 285 . 1 . 1 41 41 GLY HA3 H 1 3.768 0.001 . 2 . . . . A 41 GLY HA3 . 31031 1 286 . 1 . 1 42 42 GLU H H 1 8.046 0.001 . 1 . . . . A 42 GLU H . 31031 1 287 . 1 . 1 42 42 GLU HA H 1 4.720 0.001 . 1 . . . . A 42 GLU HA . 31031 1 288 . 1 . 1 42 42 GLU HB2 H 1 2.061 0.000 . 2 . . . . A 42 GLU HB2 . 31031 1 289 . 1 . 1 42 42 GLU HB3 H 1 1.957 0.000 . 2 . . . . A 42 GLU HB3 . 31031 1 290 . 1 . 1 42 42 GLU HG2 H 1 2.349 0.004 . 2 . . . . A 42 GLU HG2 . 31031 1 291 . 1 . 1 42 42 GLU HG3 H 1 2.252 0.002 . 2 . . . . A 42 GLU HG3 . 31031 1 292 . 1 . 1 43 43 TRP H H 1 9.312 0.001 . 1 . . . . A 43 TRP H . 31031 1 293 . 1 . 1 43 43 TRP HA H 1 5.438 0.001 . 1 . . . . A 43 TRP HA . 31031 1 294 . 1 . 1 43 43 TRP HB2 H 1 3.370 0.001 . 2 . . . . A 43 TRP HB2 . 31031 1 295 . 1 . 1 43 43 TRP HB3 H 1 3.137 0.000 . 2 . . . . A 43 TRP HB3 . 31031 1 296 . 1 . 1 43 43 TRP HD1 H 1 7.527 0.000 . 1 . . . . A 43 TRP HD1 . 31031 1 297 . 1 . 1 43 43 TRP HE1 H 1 10.450 0.000 . 1 . . . . A 43 TRP HE1 . 31031 1 298 . 1 . 1 43 43 TRP HE3 H 1 7.592 0.002 . 1 . . . . A 43 TRP HE3 . 31031 1 299 . 1 . 1 43 43 TRP HZ2 H 1 7.402 0.001 . 1 . . . . A 43 TRP HZ2 . 31031 1 300 . 1 . 1 43 43 TRP HZ3 H 1 6.637 0.000 . 1 . . . . A 43 TRP HZ3 . 31031 1 301 . 1 . 1 43 43 TRP HH2 H 1 6.859 0.002 . 1 . . . . A 43 TRP HH2 . 31031 1 302 . 1 . 1 44 44 THR H H 1 9.313 0.000 . 1 . . . . A 44 THR H . 31031 1 303 . 1 . 1 44 44 THR HA H 1 4.830 0.002 . 1 . . . . A 44 THR HA . 31031 1 304 . 1 . 1 44 44 THR HB H 1 4.246 0.001 . 1 . . . . A 44 THR HB . 31031 1 305 . 1 . 1 44 44 THR HG21 H 1 1.196 0.001 . 1 . . . . A 44 THR HG21 . 31031 1 306 . 1 . 1 44 44 THR HG22 H 1 1.196 0.001 . 1 . . . . A 44 THR HG22 . 31031 1 307 . 1 . 1 44 44 THR HG23 H 1 1.196 0.001 . 1 . . . . A 44 THR HG23 . 31031 1 308 . 1 . 1 45 45 TYR H H 1 8.577 0.000 . 1 . . . . A 45 TYR H . 31031 1 309 . 1 . 1 45 45 TYR HA H 1 4.975 0.002 . 1 . . . . A 45 TYR HA . 31031 1 310 . 1 . 1 45 45 TYR HB2 H 1 2.874 0.001 . 2 . . . . A 45 TYR HB2 . 31031 1 311 . 1 . 1 45 45 TYR HB3 H 1 2.519 0.001 . 2 . . . . A 45 TYR HB3 . 31031 1 312 . 1 . 1 45 45 TYR HD1 H 1 5.922 0.000 . 1 . . . . A 45 TYR HD1 . 31031 1 313 . 1 . 1 45 45 TYR HD2 H 1 5.922 0.000 . 1 . . . . A 45 TYR HD2 . 31031 1 314 . 1 . 1 45 45 TYR HE1 H 1 6.331 0.000 . 1 . . . . A 45 TYR HE1 . 31031 1 315 . 1 . 1 45 45 TYR HE2 H 1 6.331 0.000 . 1 . . . . A 45 TYR HE2 . 31031 1 316 . 1 . 1 46 46 ASP H H 1 7.679 0.000 . 1 . . . . A 46 ASP H . 31031 1 317 . 1 . 1 46 46 ASP HA H 1 4.609 0.002 . 1 . . . . A 46 ASP HA . 31031 1 318 . 1 . 1 46 46 ASP HB2 H 1 2.583 0.001 . 2 . . . . A 46 ASP HB2 . 31031 1 319 . 1 . 1 46 46 ASP HB3 H 1 2.273 0.001 . 2 . . . . A 46 ASP HB3 . 31031 1 320 . 1 . 1 47 47 ASP H H 1 8.509 0.000 . 1 . . . . A 47 ASP H . 31031 1 321 . 1 . 1 47 47 ASP HA H 1 4.099 0.000 . 1 . . . . A 47 ASP HA . 31031 1 322 . 1 . 1 47 47 ASP HB2 H 1 2.790 0.001 . 2 . . . . A 47 ASP HB2 . 31031 1 323 . 1 . 1 47 47 ASP HB3 H 1 2.556 0.001 . 2 . . . . A 47 ASP HB3 . 31031 1 324 . 1 . 1 48 48 ALA H H 1 8.276 0.001 . 1 . . . . A 48 ALA H . 31031 1 325 . 1 . 1 48 48 ALA HA H 1 4.111 0.000 . 1 . . . . A 48 ALA HA . 31031 1 326 . 1 . 1 48 48 ALA HB1 H 1 1.507 0.000 . 1 . . . . A 48 ALA HB1 . 31031 1 327 . 1 . 1 48 48 ALA HB2 H 1 1.507 0.000 . 1 . . . . A 48 ALA HB2 . 31031 1 328 . 1 . 1 48 48 ALA HB3 H 1 1.507 0.000 . 1 . . . . A 48 ALA HB3 . 31031 1 329 . 1 . 1 49 49 THR H H 1 7.007 0.000 . 1 . . . . A 49 THR H . 31031 1 330 . 1 . 1 49 49 THR HA H 1 4.394 0.000 . 1 . . . . A 49 THR HA . 31031 1 331 . 1 . 1 49 49 THR HB H 1 4.401 0.000 . 1 . . . . A 49 THR HB . 31031 1 332 . 1 . 1 49 49 THR HG21 H 1 1.078 0.000 . 1 . . . . A 49 THR HG21 . 31031 1 333 . 1 . 1 49 49 THR HG22 H 1 1.078 0.000 . 1 . . . . A 49 THR HG22 . 31031 1 334 . 1 . 1 49 49 THR HG23 H 1 1.078 0.000 . 1 . . . . A 49 THR HG23 . 31031 1 335 . 1 . 1 50 50 LYS H H 1 7.862 0.000 . 1 . . . . A 50 LYS H . 31031 1 336 . 1 . 1 50 50 LYS HA H 1 4.139 0.002 . 1 . . . . A 50 LYS HA . 31031 1 337 . 1 . 1 50 50 LYS HB2 H 1 1.910 0.001 . 2 . . . . A 50 LYS HB2 . 31031 1 338 . 1 . 1 50 50 LYS HB3 H 1 1.858 0.003 . 2 . . . . A 50 LYS HB3 . 31031 1 339 . 1 . 1 50 50 LYS HG2 H 1 1.325 0.000 . 2 . . . . A 50 LYS HG2 . 31031 1 340 . 1 . 1 50 50 LYS HG3 H 1 1.265 0.000 . 2 . . . . A 50 LYS HG3 . 31031 1 341 . 1 . 1 50 50 LYS HD2 H 1 1.299 0.000 . 2 . . . . A 50 LYS HD2 . 31031 1 342 . 1 . 1 50 50 LYS HD3 H 1 1.209 0.000 . 2 . . . . A 50 LYS HD3 . 31031 1 343 . 1 . 1 50 50 LYS HE2 H 1 2.992 0.000 . 1 . . . . A 50 LYS HE2 . 31031 1 344 . 1 . 1 50 50 LYS HE3 H 1 2.992 0.000 . 1 . . . . A 50 LYS HE3 . 31031 1 345 . 1 . 1 51 51 THR H H 1 7.313 0.001 . 1 . . . . A 51 THR H . 31031 1 346 . 1 . 1 51 51 THR HA H 1 5.472 0.001 . 1 . . . . A 51 THR HA . 31031 1 347 . 1 . 1 51 51 THR HB H 1 3.754 0.001 . 1 . . . . A 51 THR HB . 31031 1 348 . 1 . 1 51 51 THR HG21 H 1 0.996 0.001 . 1 . . . . A 51 THR HG21 . 31031 1 349 . 1 . 1 51 51 THR HG22 H 1 0.996 0.001 . 1 . . . . A 51 THR HG22 . 31031 1 350 . 1 . 1 51 51 THR HG23 H 1 0.996 0.001 . 1 . . . . A 51 THR HG23 . 31031 1 351 . 1 . 1 52 52 PHE H H 1 10.439 0.000 . 1 . . . . A 52 PHE H . 31031 1 352 . 1 . 1 52 52 PHE HA H 1 5.693 0.001 . 1 . . . . A 52 PHE HA . 31031 1 353 . 1 . 1 52 52 PHE HB2 H 1 3.323 0.000 . 2 . . . . A 52 PHE HB2 . 31031 1 354 . 1 . 1 52 52 PHE HB3 H 1 3.258 0.001 . 2 . . . . A 52 PHE HB3 . 31031 1 355 . 1 . 1 52 52 PHE HD1 H 1 7.795 0.000 . 1 . . . . A 52 PHE HD1 . 31031 1 356 . 1 . 1 52 52 PHE HD2 H 1 7.795 0.000 . 1 . . . . A 52 PHE HD2 . 31031 1 357 . 1 . 1 52 52 PHE HE1 H 1 7.174 0.001 . 1 . . . . A 52 PHE HE1 . 31031 1 358 . 1 . 1 52 52 PHE HE2 H 1 7.174 0.001 . 1 . . . . A 52 PHE HE2 . 31031 1 359 . 1 . 1 52 52 PHE HZ H 1 7.044 0.000 . 1 . . . . A 52 PHE HZ . 31031 1 360 . 1 . 1 53 53 THR H H 1 9.110 0.000 . 1 . . . . A 53 THR H . 31031 1 361 . 1 . 1 53 53 THR HA H 1 5.223 0.001 . 1 . . . . A 53 THR HA . 31031 1 362 . 1 . 1 53 53 THR HB H 1 3.844 0.001 . 1 . . . . A 53 THR HB . 31031 1 363 . 1 . 1 53 53 THR HG21 H 1 0.964 0.001 . 1 . . . . A 53 THR HG21 . 31031 1 364 . 1 . 1 53 53 THR HG22 H 1 0.964 0.001 . 1 . . . . A 53 THR HG22 . 31031 1 365 . 1 . 1 53 53 THR HG23 H 1 0.964 0.001 . 1 . . . . A 53 THR HG23 . 31031 1 366 . 1 . 1 54 54 VAL H H 1 8.232 0.001 . 1 . . . . A 54 VAL H . 31031 1 367 . 1 . 1 54 54 VAL HA H 1 4.497 0.001 . 1 . . . . A 54 VAL HA . 31031 1 368 . 1 . 1 54 54 VAL HB H 1 -0.427 0.000 . 1 . . . . A 54 VAL HB . 31031 1 369 . 1 . 1 54 54 VAL HG11 H 1 -0.339 0.001 . 2 . . . . A 54 VAL HG11 . 31031 1 370 . 1 . 1 54 54 VAL HG12 H 1 -0.339 0.001 . 2 . . . . A 54 VAL HG12 . 31031 1 371 . 1 . 1 54 54 VAL HG13 H 1 -0.339 0.001 . 2 . . . . A 54 VAL HG13 . 31031 1 372 . 1 . 1 54 54 VAL HG21 H 1 0.392 0.002 . 2 . . . . A 54 VAL HG21 . 31031 1 373 . 1 . 1 54 54 VAL HG22 H 1 0.392 0.002 . 2 . . . . A 54 VAL HG22 . 31031 1 374 . 1 . 1 54 54 VAL HG23 H 1 0.392 0.002 . 2 . . . . A 54 VAL HG23 . 31031 1 375 . 1 . 1 55 55 THR H H 1 8.382 0.000 . 1 . . . . A 55 THR H . 31031 1 376 . 1 . 1 55 55 THR HA H 1 4.739 0.001 . 1 . . . . A 55 THR HA . 31031 1 377 . 1 . 1 55 55 THR HB H 1 3.881 0.000 . 1 . . . . A 55 THR HB . 31031 1 378 . 1 . 1 55 55 THR HG21 H 1 1.187 0.001 . 1 . . . . A 55 THR HG21 . 31031 1 379 . 1 . 1 55 55 THR HG22 H 1 1.187 0.001 . 1 . . . . A 55 THR HG22 . 31031 1 380 . 1 . 1 55 55 THR HG23 H 1 1.187 0.001 . 1 . . . . A 55 THR HG23 . 31031 1 381 . 1 . 1 56 56 GLU H H 1 8.089 0.001 . 1 . . . . A 56 GLU H . 31031 1 382 . 1 . 1 56 56 GLU HA H 1 4.424 0.001 . 1 . . . . A 56 GLU HA . 31031 1 383 . 1 . 1 56 56 GLU HB2 H 1 2.155 0.000 . 2 . . . . A 56 GLU HB2 . 31031 1 384 . 1 . 1 56 56 GLU HB3 H 1 2.005 0.000 . 2 . . . . A 56 GLU HB3 . 31031 1 385 . 1 . 1 56 56 GLU HG2 H 1 2.508 0.000 . 2 . . . . A 56 GLU HG2 . 31031 1 386 . 1 . 1 56 56 GLU HG3 H 1 2.367 0.001 . 2 . . . . A 56 GLU HG3 . 31031 1 387 . 1 . 1 57 57 NH2 HN1 H 1 7.226 0.000 . 2 . . . . A 57 NH2 HN1 . 31031 1 388 . 1 . 1 57 57 NH2 HN2 H 1 7.226 0.000 . 2 . . . . A 57 NH2 HN2 . 31031 1 stop_ save_