################################### # 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 30980 _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' . . . 30980 1 2 '2D 1H-1H NOESY' . . . 30980 1 3 '2D 1H-1H COSY' . . . 30980 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 4.115 0.000 . 1 . . . . A 1 ALA HA . 30980 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.546 0.000 . 1 . . . . A 1 ALA HB1 . 30980 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.546 0.000 . 1 . . . . A 1 ALA HB2 . 30980 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.546 0.000 . 1 . . . . A 1 ALA HB3 . 30980 1 5 . 1 . 1 2 2 ASP H H 1 8.657 0.000 . 1 . . . . A 2 ASP H . 30980 1 6 . 1 . 1 2 2 ASP HA H 1 4.646 0.000 . 1 . . . . A 2 ASP HA . 30980 1 7 . 1 . 1 2 2 ASP HB2 H 1 2.585 0.004 . 2 . . . . A 2 ASP HB2 . 30980 1 8 . 1 . 1 2 2 ASP HB3 H 1 2.700 0.005 . 2 . . . . A 2 ASP HB3 . 30980 1 9 . 1 . 1 3 3 ASN H H 1 8.425 0.002 . 1 . . . . A 3 ASN H . 30980 1 10 . 1 . 1 3 3 ASN HA H 1 4.610 0.000 . 1 . . . . A 3 ASN HA . 30980 1 11 . 1 . 1 3 3 ASN HB2 H 1 2.607 0.002 . 1 . . . . A 3 ASN HB2 . 30980 1 12 . 1 . 1 3 3 ASN HB3 H 1 2.607 0.002 . 1 . . . . A 3 ASN HB3 . 30980 1 13 . 1 . 1 3 3 ASN HD21 H 1 6.874 0.000 . 2 . . . . A 3 ASN HD21 . 30980 1 14 . 1 . 1 3 3 ASN HD22 H 1 7.531 0.000 . 2 . . . . A 3 ASN HD22 . 30980 1 15 . 1 . 1 4 4 LYS H H 1 8.274 0.000 . 1 . . . . A 4 LYS H . 30980 1 16 . 1 . 1 4 4 LYS HA H 1 4.200 0.003 . 1 . . . . A 4 LYS HA . 30980 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.667 0.000 . 2 . . . . A 4 LYS HB2 . 30980 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.705 0.000 . 2 . . . . A 4 LYS HB3 . 30980 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.279 0.001 . 1 . . . . A 4 LYS HG2 . 30980 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.279 0.001 . 1 . . . . A 4 LYS HG3 . 30980 1 21 . 1 . 1 4 4 LYS HD2 H 1 1.625 0.000 . 1 . . . . A 4 LYS HD2 . 30980 1 22 . 1 . 1 4 4 LYS HD3 H 1 1.625 0.000 . 1 . . . . A 4 LYS HD3 . 30980 1 23 . 1 . 1 4 4 LYS HE2 H 1 2.968 0.002 . 1 . . . . A 4 LYS HE2 . 30980 1 24 . 1 . 1 4 4 LYS HE3 H 1 2.968 0.002 . 1 . . . . A 4 LYS HE3 . 30980 1 25 . 1 . 1 5 5 PHE H H 1 8.147 0.001 . 1 . . . . A 5 PHE H . 30980 1 26 . 1 . 1 5 5 PHE HA H 1 5.033 0.002 . 1 . . . . A 5 PHE HA . 30980 1 27 . 1 . 1 5 5 PHE HB2 H 1 3.034 0.002 . 2 . . . . A 5 PHE HB2 . 30980 1 28 . 1 . 1 5 5 PHE HB3 H 1 3.366 0.002 . 2 . . . . A 5 PHE HB3 . 30980 1 29 . 1 . 1 5 5 PHE HD1 H 1 7.153 0.000 . 1 . . . . A 5 PHE HD1 . 30980 1 30 . 1 . 1 5 5 PHE HD2 H 1 7.153 0.000 . 1 . . . . A 5 PHE HD2 . 30980 1 31 . 1 . 1 5 5 PHE HE1 H 1 7.107 0.000 . 1 . . . . A 5 PHE HE1 . 30980 1 32 . 1 . 1 5 5 PHE HE2 H 1 7.107 0.000 . 1 . . . . A 5 PHE HE2 . 30980 1 33 . 1 . 1 6 6 ASN H H 1 8.466 0.001 . 1 . . . . A 6 ASN H . 30980 1 34 . 1 . 1 6 6 ASN HA H 1 4.743 0.002 . 1 . . . . A 6 ASN HA . 30980 1 35 . 1 . 1 6 6 ASN HB2 H 1 2.960 0.001 . 2 . . . . A 6 ASN HB2 . 30980 1 36 . 1 . 1 6 6 ASN HB3 H 1 3.281 0.002 . 2 . . . . A 6 ASN HB3 . 30980 1 37 . 1 . 1 6 6 ASN HD21 H 1 6.944 0.000 . 2 . . . . A 6 ASN HD21 . 30980 1 38 . 1 . 1 6 6 ASN HD22 H 1 7.523 0.000 . 2 . . . . A 6 ASN HD22 . 30980 1 39 . 1 . 1 7 7 LYS H H 1 8.356 0.000 . 1 . . . . A 7 LYS H . 30980 1 40 . 1 . 1 7 7 LYS HA H 1 4.013 0.000 . 1 . . . . A 7 LYS HA . 30980 1 41 . 1 . 1 7 7 LYS HB2 H 1 1.838 0.000 . 2 . . . . A 7 LYS HB2 . 30980 1 42 . 1 . 1 7 7 LYS HB3 H 1 1.889 0.000 . 2 . . . . A 7 LYS HB3 . 30980 1 43 . 1 . 1 7 7 LYS HG2 H 1 1.450 0.001 . 2 . . . . A 7 LYS HG2 . 30980 1 44 . 1 . 1 7 7 LYS HG3 H 1 1.533 0.000 . 2 . . . . A 7 LYS HG3 . 30980 1 45 . 1 . 1 7 7 LYS HD2 H 1 1.728 0.000 . 1 . . . . A 7 LYS HD2 . 30980 1 46 . 1 . 1 7 7 LYS HD3 H 1 1.728 0.000 . 1 . . . . A 7 LYS HD3 . 30980 1 47 . 1 . 1 7 7 LYS HE2 H 1 3.033 0.001 . 1 . . . . A 7 LYS HE2 . 30980 1 48 . 1 . 1 7 7 LYS HE3 H 1 3.033 0.001 . 1 . . . . A 7 LYS HE3 . 30980 1 49 . 1 . 1 8 8 GLU H H 1 8.299 0.000 . 1 . . . . A 8 GLU H . 30980 1 50 . 1 . 1 8 8 GLU HA H 1 4.126 0.001 . 1 . . . . A 8 GLU HA . 30980 1 51 . 1 . 1 8 8 GLU HB2 H 1 2.079 0.000 . 2 . . . . A 8 GLU HB2 . 30980 1 52 . 1 . 1 8 8 GLU HB3 H 1 2.143 0.000 . 2 . . . . A 8 GLU HB3 . 30980 1 53 . 1 . 1 8 8 GLU HG2 H 1 2.362 0.000 . 1 . . . . A 8 GLU HG2 . 30980 1 54 . 1 . 1 8 8 GLU HG3 H 1 2.362 0.000 . 1 . . . . A 8 GLU HG3 . 30980 1 55 . 1 . 1 9 9 GLN H H 1 8.507 0.000 . 1 . . . . A 9 GLN H . 30980 1 56 . 1 . 1 9 9 GLN HA H 1 3.911 0.001 . 1 . . . . A 9 GLN HA . 30980 1 57 . 1 . 1 9 9 GLN HB2 H 1 2.216 0.000 . 1 . . . . A 9 GLN HB2 . 30980 1 58 . 1 . 1 9 9 GLN HB3 H 1 2.216 0.000 . 1 . . . . A 9 GLN HB3 . 30980 1 59 . 1 . 1 9 9 GLN HG2 H 1 2.473 0.000 . 1 . . . . A 9 GLN HG2 . 30980 1 60 . 1 . 1 9 9 GLN HG3 H 1 2.473 0.000 . 1 . . . . A 9 GLN HG3 . 30980 1 61 . 1 . 1 9 9 GLN HE21 H 1 6.835 0.000 . 2 . . . . A 9 GLN HE21 . 30980 1 62 . 1 . 1 9 9 GLN HE22 H 1 7.172 0.000 . 2 . . . . A 9 GLN HE22 . 30980 1 63 . 1 . 1 10 10 GLN H H 1 8.642 0.000 . 1 . . . . A 10 GLN H . 30980 1 64 . 1 . 1 10 10 GLN HA H 1 4.005 0.002 . 1 . . . . A 10 GLN HA . 30980 1 65 . 1 . 1 10 10 GLN HB2 H 1 2.218 0.000 . 1 . . . . A 10 GLN HB2 . 30980 1 66 . 1 . 1 10 10 GLN HB3 H 1 2.218 0.000 . 1 . . . . A 10 GLN HB3 . 30980 1 67 . 1 . 1 10 10 GLN HG2 H 1 2.479 0.000 . 1 . . . . A 10 GLN HG2 . 30980 1 68 . 1 . 1 10 10 GLN HG3 H 1 2.479 0.000 . 1 . . . . A 10 GLN HG3 . 30980 1 69 . 1 . 1 10 10 GLN HE21 H 1 6.838 0.000 . 2 . . . . A 10 GLN HE21 . 30980 1 70 . 1 . 1 10 10 GLN HE22 H 1 7.226 0.000 . 2 . . . . A 10 GLN HE22 . 30980 1 71 . 1 . 1 11 11 ASN H H 1 8.306 0.000 . 1 . . . . A 11 ASN H . 30980 1 72 . 1 . 1 11 11 ASN HA H 1 4.631 0.001 . 1 . . . . A 11 ASN HA . 30980 1 73 . 1 . 1 11 11 ASN HB2 H 1 2.926 0.000 . 1 . . . . A 11 ASN HB2 . 30980 1 74 . 1 . 1 11 11 ASN HB3 H 1 2.926 0.000 . 1 . . . . A 11 ASN HB3 . 30980 1 75 . 1 . 1 11 11 ASN HD21 H 1 7.008 0.000 . 2 . . . . A 11 ASN HD21 . 30980 1 76 . 1 . 1 11 11 ASN HD22 H 1 7.744 0.000 . 2 . . . . A 11 ASN HD22 . 30980 1 77 . 1 . 1 12 12 ALA H H 1 7.980 0.000 . 1 . . . . A 12 ALA H . 30980 1 78 . 1 . 1 12 12 ALA HA H 1 4.101 0.000 . 1 . . . . A 12 ALA HA . 30980 1 79 . 1 . 1 12 12 ALA HB1 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB1 . 30980 1 80 . 1 . 1 12 12 ALA HB2 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB2 . 30980 1 81 . 1 . 1 12 12 ALA HB3 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB3 . 30980 1 82 . 1 . 1 13 13 PHE H H 1 8.172 0.000 . 1 . . . . A 13 PHE H . 30980 1 83 . 1 . 1 13 13 PHE HA H 1 3.869 0.000 . 1 . . . . A 13 PHE HA . 30980 1 84 . 1 . 1 13 13 PHE HB2 H 1 2.994 0.003 . 2 . . . . A 13 PHE HB2 . 30980 1 85 . 1 . 1 13 13 PHE HB3 H 1 3.324 0.003 . 2 . . . . A 13 PHE HB3 . 30980 1 86 . 1 . 1 13 13 PHE HD1 H 1 7.060 0.000 . 1 . . . . A 13 PHE HD1 . 30980 1 87 . 1 . 1 13 13 PHE HD2 H 1 7.060 0.000 . 1 . . . . A 13 PHE HD2 . 30980 1 88 . 1 . 1 13 13 PHE HE1 H 1 7.313 0.001 . 1 . . . . A 13 PHE HE1 . 30980 1 89 . 1 . 1 13 13 PHE HE2 H 1 7.313 0.001 . 1 . . . . A 13 PHE HE2 . 30980 1 90 . 1 . 1 13 13 PHE HZ H 1 7.144 0.000 . 1 . . . . A 13 PHE HZ . 30980 1 91 . 1 . 1 14 14 TYR H H 1 8.144 0.000 . 1 . . . . A 14 TYR H . 30980 1 92 . 1 . 1 14 14 TYR HA H 1 3.960 0.002 . 1 . . . . A 14 TYR HA . 30980 1 93 . 1 . 1 14 14 TYR HB2 H 1 3.228 0.000 . 1 . . . . A 14 TYR HB2 . 30980 1 94 . 1 . 1 14 14 TYR HB3 H 1 3.228 0.000 . 1 . . . . A 14 TYR HB3 . 30980 1 95 . 1 . 1 14 14 TYR HD1 H 1 7.157 0.000 . 1 . . . . A 14 TYR HD1 . 30980 1 96 . 1 . 1 14 14 TYR HD2 H 1 7.157 0.000 . 1 . . . . A 14 TYR HD2 . 30980 1 97 . 1 . 1 14 14 TYR HE1 H 1 6.734 0.000 . 1 . . . . A 14 TYR HE1 . 30980 1 98 . 1 . 1 14 14 TYR HE2 H 1 6.734 0.000 . 1 . . . . A 14 TYR HE2 . 30980 1 99 . 1 . 1 15 15 GLU H H 1 8.602 0.000 . 1 . . . . A 15 GLU H . 30980 1 100 . 1 . 1 15 15 GLU HA H 1 4.026 0.000 . 1 . . . . A 15 GLU HA . 30980 1 101 . 1 . 1 15 15 GLU HB2 H 1 2.020 0.001 . 2 . . . . A 15 GLU HB2 . 30980 1 102 . 1 . 1 15 15 GLU HB3 H 1 2.185 0.000 . 2 . . . . A 15 GLU HB3 . 30980 1 103 . 1 . 1 15 15 GLU HG2 H 1 2.282 0.002 . 2 . . . . A 15 GLU HG2 . 30980 1 104 . 1 . 1 15 15 GLU HG3 H 1 2.508 0.004 . 2 . . . . A 15 GLU HG3 . 30980 1 105 . 1 . 1 16 16 ILE H H 1 8.453 0.000 . 1 . . . . A 16 ILE H . 30980 1 106 . 1 . 1 16 16 ILE HA H 1 3.432 0.000 . 1 . . . . A 16 ILE HA . 30980 1 107 . 1 . 1 16 16 ILE HB H 1 1.832 0.000 . 1 . . . . A 16 ILE HB . 30980 1 108 . 1 . 1 16 16 ILE HG12 H 1 1.836 0.000 . 1 . . . . A 16 ILE HG12 . 30980 1 109 . 1 . 1 16 16 ILE HG13 H 1 1.836 0.000 . 1 . . . . A 16 ILE HG13 . 30980 1 110 . 1 . 1 16 16 ILE HG21 H 1 0.805 0.000 . 1 . . . . A 16 ILE HG21 . 30980 1 111 . 1 . 1 16 16 ILE HG22 H 1 0.805 0.000 . 1 . . . . A 16 ILE HG22 . 30980 1 112 . 1 . 1 16 16 ILE HG23 H 1 0.805 0.000 . 1 . . . . A 16 ILE HG23 . 30980 1 113 . 1 . 1 16 16 ILE HD11 H 1 0.544 0.000 . 1 . . . . A 16 ILE HD11 . 30980 1 114 . 1 . 1 16 16 ILE HD12 H 1 0.544 0.000 . 1 . . . . A 16 ILE HD12 . 30980 1 115 . 1 . 1 16 16 ILE HD13 H 1 0.544 0.000 . 1 . . . . A 16 ILE HD13 . 30980 1 116 . 1 . 1 17 17 LEU H H 1 7.899 0.000 . 1 . . . . A 17 LEU H . 30980 1 117 . 1 . 1 17 17 LEU HA H 1 3.720 0.000 . 1 . . . . A 17 LEU HA . 30980 1 118 . 1 . 1 17 17 LEU HB2 H 1 1.143 0.004 . 2 . . . . A 17 LEU HB2 . 30980 1 119 . 1 . 1 17 17 LEU HB3 H 1 1.506 0.002 . 2 . . . . A 17 LEU HB3 . 30980 1 120 . 1 . 1 17 17 LEU HG H 1 1.399 0.002 . 1 . . . . A 17 LEU HG . 30980 1 121 . 1 . 1 17 17 LEU HD11 H 1 0.575 0.001 . 2 . . . . A 17 LEU HD11 . 30980 1 122 . 1 . 1 17 17 LEU HD12 H 1 0.575 0.001 . 2 . . . . A 17 LEU HD12 . 30980 1 123 . 1 . 1 17 17 LEU HD13 H 1 0.575 0.001 . 2 . . . . A 17 LEU HD13 . 30980 1 124 . 1 . 1 17 17 LEU HD21 H 1 0.673 0.001 . 2 . . . . A 17 LEU HD21 . 30980 1 125 . 1 . 1 17 17 LEU HD22 H 1 0.673 0.001 . 2 . . . . A 17 LEU HD22 . 30980 1 126 . 1 . 1 17 17 LEU HD23 H 1 0.673 0.001 . 2 . . . . A 17 LEU HD23 . 30980 1 127 . 1 . 1 18 18 HIS H H 1 7.287 0.001 . 1 . . . . A 18 HIS H . 30980 1 128 . 1 . 1 18 18 HIS HA H 1 4.493 0.001 . 1 . . . . A 18 HIS HA . 30980 1 129 . 1 . 1 18 18 HIS HB2 H 1 2.793 0.003 . 2 . . . . A 18 HIS HB2 . 30980 1 130 . 1 . 1 18 18 HIS HB3 H 1 3.479 0.001 . 2 . . . . A 18 HIS HB3 . 30980 1 131 . 1 . 1 18 18 HIS HD2 H 1 7.106 0.000 . 1 . . . . A 18 HIS HD2 . 30980 1 132 . 1 . 1 18 18 HIS HE1 H 1 8.289 0.000 . 1 . . . . A 18 HIS HE1 . 30980 1 133 . 1 . 1 19 19 LEU H H 1 7.241 0.000 . 1 . . . . A 19 LEU H . 30980 1 134 . 1 . 1 19 19 LEU HA H 1 4.528 0.001 . 1 . . . . A 19 LEU HA . 30980 1 135 . 1 . 1 19 19 LEU HB2 H 1 1.377 0.000 . 2 . . . . A 19 LEU HB2 . 30980 1 136 . 1 . 1 19 19 LEU HB3 H 1 1.751 0.000 . 2 . . . . A 19 LEU HB3 . 30980 1 137 . 1 . 1 19 19 LEU HG H 1 2.211 0.002 . 1 . . . . A 19 LEU HG . 30980 1 138 . 1 . 1 19 19 LEU HD11 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD11 . 30980 1 139 . 1 . 1 19 19 LEU HD12 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD12 . 30980 1 140 . 1 . 1 19 19 LEU HD13 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD13 . 30980 1 141 . 1 . 1 19 19 LEU HD21 H 1 0.871 0.000 . 2 . . . . A 19 LEU HD21 . 30980 1 142 . 1 . 1 19 19 LEU HD22 H 1 0.871 0.000 . 2 . . . . A 19 LEU HD22 . 30980 1 143 . 1 . 1 19 19 LEU HD23 H 1 0.871 0.000 . 2 . . . . A 19 LEU HD23 . 30980 1 144 . 1 . 1 20 20 PRO HA H 1 4.424 0.002 . 1 . . . . A 20 PRO HA . 30980 1 145 . 1 . 1 20 20 PRO HB2 H 1 1.999 0.000 . 2 . . . . A 20 PRO HB2 . 30980 1 146 . 1 . 1 20 20 PRO HB3 H 1 2.327 0.001 . 2 . . . . A 20 PRO HB3 . 30980 1 147 . 1 . 1 20 20 PRO HG2 H 1 2.062 0.000 . 2 . . . . A 20 PRO HG2 . 30980 1 148 . 1 . 1 20 20 PRO HG3 H 1 2.189 0.000 . 2 . . . . A 20 PRO HG3 . 30980 1 149 . 1 . 1 20 20 PRO HD2 H 1 3.831 0.001 . 2 . . . . A 20 PRO HD2 . 30980 1 150 . 1 . 1 20 20 PRO HD3 H 1 4.081 0.000 . 2 . . . . A 20 PRO HD3 . 30980 1 151 . 1 . 1 21 21 ASN H H 1 8.898 0.001 . 1 . . . . A 21 ASN H . 30980 1 152 . 1 . 1 21 21 ASN HA H 1 5.022 0.001 . 1 . . . . A 21 ASN HA . 30980 1 153 . 1 . 1 21 21 ASN HB2 H 1 2.912 0.001 . 1 . . . . A 21 ASN HB2 . 30980 1 154 . 1 . 1 21 21 ASN HB3 H 1 2.912 0.001 . 1 . . . . A 21 ASN HB3 . 30980 1 155 . 1 . 1 21 21 ASN HD21 H 1 7.006 0.000 . 2 . . . . A 21 ASN HD21 . 30980 1 156 . 1 . 1 21 21 ASN HD22 H 1 7.408 0.000 . 2 . . . . A 21 ASN HD22 . 30980 1 157 . 1 . 1 22 22 LEU H H 1 6.548 0.001 . 1 . . . . A 22 LEU H . 30980 1 158 . 1 . 1 22 22 LEU HA H 1 4.444 0.000 . 1 . . . . A 22 LEU HA . 30980 1 159 . 1 . 1 22 22 LEU HB2 H 1 1.651 0.005 . 2 . . . . A 22 LEU HB2 . 30980 1 160 . 1 . 1 22 22 LEU HB3 H 1 1.711 0.002 . 2 . . . . A 22 LEU HB3 . 30980 1 161 . 1 . 1 22 22 LEU HG H 1 1.711 0.001 . 1 . . . . A 22 LEU HG . 30980 1 162 . 1 . 1 22 22 LEU HD11 H 1 0.886 0.000 . 2 . . . . A 22 LEU HD11 . 30980 1 163 . 1 . 1 22 22 LEU HD12 H 1 0.886 0.000 . 2 . . . . A 22 LEU HD12 . 30980 1 164 . 1 . 1 22 22 LEU HD13 H 1 0.886 0.000 . 2 . . . . A 22 LEU HD13 . 30980 1 165 . 1 . 1 22 22 LEU HD21 H 1 0.982 0.000 . 2 . . . . A 22 LEU HD21 . 30980 1 166 . 1 . 1 22 22 LEU HD22 H 1 0.982 0.000 . 2 . . . . A 22 LEU HD22 . 30980 1 167 . 1 . 1 22 22 LEU HD23 H 1 0.982 0.000 . 2 . . . . A 22 LEU HD23 . 30980 1 168 . 1 . 1 23 23 ASN H H 1 8.548 0.001 . 1 . . . . A 23 ASN H . 30980 1 169 . 1 . 1 23 23 ASN HA H 1 4.935 0.001 . 1 . . . . A 23 ASN HA . 30980 1 170 . 1 . 1 23 23 ASN HB2 H 1 2.848 0.002 . 2 . . . . A 23 ASN HB2 . 30980 1 171 . 1 . 1 23 23 ASN HB3 H 1 3.302 0.001 . 2 . . . . A 23 ASN HB3 . 30980 1 172 . 1 . 1 23 23 ASN HD21 H 1 7.028 0.000 . 2 . . . . A 23 ASN HD21 . 30980 1 173 . 1 . 1 23 23 ASN HD22 H 1 7.523 0.000 . 2 . . . . A 23 ASN HD22 . 30980 1 174 . 1 . 1 24 24 GLU H H 1 8.643 0.000 . 1 . . . . A 24 GLU H . 30980 1 175 . 1 . 1 24 24 GLU HA H 1 3.960 0.000 . 1 . . . . A 24 GLU HA . 30980 1 176 . 1 . 1 24 24 GLU HB2 H 1 2.055 0.000 . 1 . . . . A 24 GLU HB2 . 30980 1 177 . 1 . 1 24 24 GLU HB3 H 1 2.055 0.000 . 1 . . . . A 24 GLU HB3 . 30980 1 178 . 1 . 1 24 24 GLU HG2 H 1 2.379 0.000 . 1 . . . . A 24 GLU HG2 . 30980 1 179 . 1 . 1 24 24 GLU HG3 H 1 2.379 0.000 . 1 . . . . A 24 GLU HG3 . 30980 1 180 . 1 . 1 25 25 GLU H H 1 8.274 0.000 . 1 . . . . A 25 GLU H . 30980 1 181 . 1 . 1 25 25 GLU HA H 1 4.072 0.000 . 1 . . . . A 25 GLU HA . 30980 1 182 . 1 . 1 25 25 GLU HB2 H 1 2.067 0.000 . 2 . . . . A 25 GLU HB2 . 30980 1 183 . 1 . 1 25 25 GLU HB3 H 1 2.131 0.000 . 2 . . . . A 25 GLU HB3 . 30980 1 184 . 1 . 1 25 25 GLU HG2 H 1 2.360 0.000 . 1 . . . . A 25 GLU HG2 . 30980 1 185 . 1 . 1 25 25 GLU HG3 H 1 2.360 0.000 . 1 . . . . A 25 GLU HG3 . 30980 1 186 . 1 . 1 26 26 GLN H H 1 8.513 0.000 . 1 . . . . A 26 GLN H . 30980 1 187 . 1 . 1 26 26 GLN HA H 1 3.958 0.001 . 1 . . . . A 26 GLN HA . 30980 1 188 . 1 . 1 26 26 GLN HB2 H 1 1.691 0.001 . 2 . . . . A 26 GLN HB2 . 30980 1 189 . 1 . 1 26 26 GLN HB3 H 1 2.479 0.001 . 2 . . . . A 26 GLN HB3 . 30980 1 190 . 1 . 1 26 26 GLN HG2 H 1 2.353 0.000 . 1 . . . . A 26 GLN HG2 . 30980 1 191 . 1 . 1 26 26 GLN HG3 H 1 2.353 0.000 . 1 . . . . A 26 GLN HG3 . 30980 1 192 . 1 . 1 26 26 GLN HE21 H 1 7.590 0.000 . 2 . . . . A 26 GLN HE21 . 30980 1 193 . 1 . 1 26 26 GLN HE22 H 1 8.267 0.000 . 2 . . . . A 26 GLN HE22 . 30980 1 194 . 1 . 1 27 27 ARG H H 1 8.587 0.000 . 1 . . . . A 27 ARG H . 30980 1 195 . 1 . 1 27 27 ARG HA H 1 3.790 0.000 . 1 . . . . A 27 ARG HA . 30980 1 196 . 1 . 1 27 27 ARG HB2 H 1 1.752 0.000 . 2 . . . . A 27 ARG HB2 . 30980 1 197 . 1 . 1 27 27 ARG HB3 H 1 1.887 0.002 . 2 . . . . A 27 ARG HB3 . 30980 1 198 . 1 . 1 27 27 ARG HG2 H 1 1.506 0.001 . 2 . . . . A 27 ARG HG2 . 30980 1 199 . 1 . 1 27 27 ARG HG3 H 1 1.746 0.001 . 2 . . . . A 27 ARG HG3 . 30980 1 200 . 1 . 1 27 27 ARG HD2 H 1 3.244 0.002 . 2 . . . . A 27 ARG HD2 . 30980 1 201 . 1 . 1 27 27 ARG HD3 H 1 3.405 0.002 . 2 . . . . A 27 ARG HD3 . 30980 1 202 . 1 . 1 27 27 ARG HE H 1 7.536 0.000 . 1 . . . . A 27 ARG HE . 30980 1 203 . 1 . 1 28 28 ASN H H 1 8.477 0.000 . 1 . . . . A 28 ASN H . 30980 1 204 . 1 . 1 28 28 ASN HA H 1 4.413 0.001 . 1 . . . . A 28 ASN HA . 30980 1 205 . 1 . 1 28 28 ASN HB2 H 1 2.802 0.000 . 2 . . . . A 28 ASN HB2 . 30980 1 206 . 1 . 1 28 28 ASN HB3 H 1 2.915 0.000 . 2 . . . . A 28 ASN HB3 . 30980 1 207 . 1 . 1 28 28 ASN HD21 H 1 6.988 0.000 . 2 . . . . A 28 ASN HD21 . 30980 1 208 . 1 . 1 28 28 ASN HD22 H 1 7.647 0.000 . 2 . . . . A 28 ASN HD22 . 30980 1 209 . 1 . 1 29 29 ALA H H 1 7.923 0.000 . 1 . . . . A 29 ALA H . 30980 1 210 . 1 . 1 29 29 ALA HA H 1 4.194 0.001 . 1 . . . . A 29 ALA HA . 30980 1 211 . 1 . 1 29 29 ALA HB1 H 1 1.365 0.000 . 1 . . . . A 29 ALA HB1 . 30980 1 212 . 1 . 1 29 29 ALA HB2 H 1 1.365 0.000 . 1 . . . . A 29 ALA HB2 . 30980 1 213 . 1 . 1 29 29 ALA HB3 H 1 1.365 0.000 . 1 . . . . A 29 ALA HB3 . 30980 1 214 . 1 . 1 30 30 PHE H H 1 8.039 0.000 . 1 . . . . A 30 PHE H . 30980 1 215 . 1 . 1 30 30 PHE HA H 1 4.375 0.000 . 1 . . . . A 30 PHE HA . 30980 1 216 . 1 . 1 30 30 PHE HB2 H 1 3.003 0.000 . 2 . . . . A 30 PHE HB2 . 30980 1 217 . 1 . 1 30 30 PHE HB3 H 1 3.120 0.000 . 2 . . . . A 30 PHE HB3 . 30980 1 218 . 1 . 1 30 30 PHE HD1 H 1 7.308 0.000 . 1 . . . . A 30 PHE HD1 . 30980 1 219 . 1 . 1 30 30 PHE HD2 H 1 7.308 0.000 . 1 . . . . A 30 PHE HD2 . 30980 1 220 . 1 . 1 30 30 PHE HE1 H 1 7.257 0.000 . 1 . . . . A 30 PHE HE1 . 30980 1 221 . 1 . 1 30 30 PHE HE2 H 1 7.257 0.000 . 1 . . . . A 30 PHE HE2 . 30980 1 222 . 1 . 1 30 30 PHE HZ H 1 7.062 0.000 . 1 . . . . A 30 PHE HZ . 30980 1 223 . 1 . 1 31 31 ILE H H 1 8.345 0.000 . 1 . . . . A 31 ILE H . 30980 1 224 . 1 . 1 31 31 ILE HA H 1 3.772 0.000 . 1 . . . . A 31 ILE HA . 30980 1 225 . 1 . 1 31 31 ILE HB H 1 2.136 0.002 . 1 . . . . A 31 ILE HB . 30980 1 226 . 1 . 1 31 31 ILE HG12 H 1 1.378 0.001 . 2 . . . . A 31 ILE HG12 . 30980 1 227 . 1 . 1 31 31 ILE HG13 H 1 1.641 0.000 . 2 . . . . A 31 ILE HG13 . 30980 1 228 . 1 . 1 31 31 ILE HG21 H 1 0.988 0.001 . 1 . . . . A 31 ILE HG21 . 30980 1 229 . 1 . 1 31 31 ILE HG22 H 1 0.988 0.001 . 1 . . . . A 31 ILE HG22 . 30980 1 230 . 1 . 1 31 31 ILE HG23 H 1 0.988 0.001 . 1 . . . . A 31 ILE HG23 . 30980 1 231 . 1 . 1 31 31 ILE HD11 H 1 0.682 0.000 . 1 . . . . A 31 ILE HD11 . 30980 1 232 . 1 . 1 31 31 ILE HD12 H 1 0.682 0.000 . 1 . . . . A 31 ILE HD12 . 30980 1 233 . 1 . 1 31 31 ILE HD13 H 1 0.682 0.000 . 1 . . . . A 31 ILE HD13 . 30980 1 234 . 1 . 1 32 32 GLN H H 1 8.419 0.000 . 1 . . . . A 32 GLN H . 30980 1 235 . 1 . 1 32 32 GLN HA H 1 3.959 0.000 . 1 . . . . A 32 GLN HA . 30980 1 236 . 1 . 1 32 32 GLN HB2 H 1 2.189 0.000 . 2 . . . . A 32 GLN HB2 . 30980 1 237 . 1 . 1 32 32 GLN HB3 H 1 2.234 0.003 . 2 . . . . A 32 GLN HB3 . 30980 1 238 . 1 . 1 32 32 GLN HG2 H 1 2.438 0.002 . 1 . . . . A 32 GLN HG2 . 30980 1 239 . 1 . 1 32 32 GLN HG3 H 1 2.438 0.002 . 1 . . . . A 32 GLN HG3 . 30980 1 240 . 1 . 1 32 32 GLN HE21 H 1 6.915 0.000 . 2 . . . . A 32 GLN HE21 . 30980 1 241 . 1 . 1 32 32 GLN HE22 H 1 7.814 0.000 . 2 . . . . A 32 GLN HE22 . 30980 1 242 . 1 . 1 33 33 SER H H 1 8.080 0.000 . 1 . . . . A 33 SER H . 30980 1 243 . 1 . 1 33 33 SER HA H 1 4.294 0.000 . 1 . . . . A 33 SER HA . 30980 1 244 . 1 . 1 33 33 SER HB2 H 1 4.002 0.001 . 2 . . . . A 33 SER HB2 . 30980 1 245 . 1 . 1 33 33 SER HB3 H 1 4.128 0.001 . 2 . . . . A 33 SER HB3 . 30980 1 246 . 1 . 1 34 34 LEU H H 1 8.159 0.000 . 1 . . . . A 34 LEU H . 30980 1 247 . 1 . 1 34 34 LEU HA H 1 3.802 0.000 . 1 . . . . A 34 LEU HA . 30980 1 248 . 1 . 1 34 34 LEU HB2 H 1 1.710 0.000 . 2 . . . . A 34 LEU HB2 . 30980 1 249 . 1 . 1 34 34 LEU HB3 H 1 1.856 0.000 . 2 . . . . A 34 LEU HB3 . 30980 1 250 . 1 . 1 34 34 LEU HG H 1 1.671 0.000 . 1 . . . . A 34 LEU HG . 30980 1 251 . 1 . 1 34 34 LEU HD11 H 1 0.749 0.001 . 2 . . . . A 34 LEU HD11 . 30980 1 252 . 1 . 1 34 34 LEU HD12 H 1 0.749 0.001 . 2 . . . . A 34 LEU HD12 . 30980 1 253 . 1 . 1 34 34 LEU HD13 H 1 0.749 0.001 . 2 . . . . A 34 LEU HD13 . 30980 1 254 . 1 . 1 34 34 LEU HD21 H 1 0.802 0.000 . 2 . . . . A 34 LEU HD21 . 30980 1 255 . 1 . 1 34 34 LEU HD22 H 1 0.802 0.000 . 2 . . . . A 34 LEU HD22 . 30980 1 256 . 1 . 1 34 34 LEU HD23 H 1 0.802 0.000 . 2 . . . . A 34 LEU HD23 . 30980 1 257 . 1 . 1 35 35 LYS H H 1 8.031 0.000 . 1 . . . . A 35 LYS H . 30980 1 258 . 1 . 1 35 35 LYS HA H 1 4.029 0.001 . 1 . . . . A 35 LYS HA . 30980 1 259 . 1 . 1 35 35 LYS HB2 H 1 1.951 0.000 . 2 . . . . A 35 LYS HB2 . 30980 1 260 . 1 . 1 35 35 LYS HB3 H 1 2.011 0.000 . 2 . . . . A 35 LYS HB3 . 30980 1 261 . 1 . 1 35 35 LYS HG2 H 1 1.457 0.000 . 1 . . . . A 35 LYS HG2 . 30980 1 262 . 1 . 1 35 35 LYS HG3 H 1 1.457 0.000 . 1 . . . . A 35 LYS HG3 . 30980 1 263 . 1 . 1 35 35 LYS HD2 H 1 1.693 0.000 . 1 . . . . A 35 LYS HD2 . 30980 1 264 . 1 . 1 35 35 LYS HD3 H 1 1.693 0.000 . 1 . . . . A 35 LYS HD3 . 30980 1 265 . 1 . 1 35 35 LYS HE2 H 1 2.859 0.000 . 1 . . . . A 35 LYS HE2 . 30980 1 266 . 1 . 1 35 35 LYS HE3 H 1 2.859 0.000 . 1 . . . . A 35 LYS HE3 . 30980 1 267 . 1 . 1 36 36 ASP H H 1 8.133 0.000 . 1 . . . . A 36 ASP H . 30980 1 268 . 1 . 1 36 36 ASP HA H 1 4.473 0.000 . 1 . . . . A 36 ASP HA . 30980 1 269 . 1 . 1 36 36 ASP HB2 H 1 2.758 0.000 . 2 . . . . A 36 ASP HB2 . 30980 1 270 . 1 . 1 36 36 ASP HB3 H 1 2.818 0.001 . 2 . . . . A 36 ASP HB3 . 30980 1 271 . 1 . 1 37 37 ASP H H 1 7.667 0.000 . 1 . . . . A 37 ASP H . 30980 1 272 . 1 . 1 37 37 ASP HA H 1 4.967 0.000 . 1 . . . . A 37 ASP HA . 30980 1 273 . 1 . 1 37 37 ASP HB2 H 1 2.615 0.001 . 2 . . . . A 37 ASP HB2 . 30980 1 274 . 1 . 1 37 37 ASP HB3 H 1 3.019 0.000 . 2 . . . . A 37 ASP HB3 . 30980 1 275 . 1 . 1 38 38 PRO HA H 1 4.528 0.002 . 1 . . . . A 38 PRO HA . 30980 1 276 . 1 . 1 38 38 PRO HB2 H 1 2.007 0.001 . 2 . . . . A 38 PRO HB2 . 30980 1 277 . 1 . 1 38 38 PRO HB3 H 1 2.309 0.000 . 2 . . . . A 38 PRO HB3 . 30980 1 278 . 1 . 1 38 38 PRO HG2 H 1 2.146 0.001 . 2 . . . . A 38 PRO HG2 . 30980 1 279 . 1 . 1 38 38 PRO HG3 H 1 2.268 0.002 . 2 . . . . A 38 PRO HG3 . 30980 1 280 . 1 . 1 38 38 PRO HD2 H 1 3.702 0.001 . 2 . . . . A 38 PRO HD2 . 30980 1 281 . 1 . 1 38 38 PRO HD3 H 1 3.893 0.001 . 2 . . . . A 38 PRO HD3 . 30980 1 282 . 1 . 1 39 39 SER H H 1 8.121 0.000 . 1 . . . . A 39 SER H . 30980 1 283 . 1 . 1 39 39 SER HA H 1 4.324 0.001 . 1 . . . . A 39 SER HA . 30980 1 284 . 1 . 1 39 39 SER HB2 H 1 4.003 0.000 . 2 . . . . A 39 SER HB2 . 30980 1 285 . 1 . 1 39 39 SER HB3 H 1 4.057 0.000 . 2 . . . . A 39 SER HB3 . 30980 1 286 . 1 . 1 40 40 GLN H H 1 7.870 0.001 . 1 . . . . A 40 GLN H . 30980 1 287 . 1 . 1 40 40 GLN HA H 1 4.652 0.001 . 1 . . . . A 40 GLN HA . 30980 1 288 . 1 . 1 40 40 GLN HB2 H 1 2.014 0.006 . 2 . . . . A 40 GLN HB2 . 30980 1 289 . 1 . 1 40 40 GLN HB3 H 1 2.668 0.004 . 2 . . . . A 40 GLN HB3 . 30980 1 290 . 1 . 1 40 40 GLN HG2 H 1 2.341 0.001 . 2 . . . . A 40 GLN HG2 . 30980 1 291 . 1 . 1 40 40 GLN HG3 H 1 2.485 0.002 . 2 . . . . A 40 GLN HG3 . 30980 1 292 . 1 . 1 40 40 GLN HE21 H 1 6.873 0.000 . 2 . . . . A 40 GLN HE21 . 30980 1 293 . 1 . 1 40 40 GLN HE22 H 1 7.598 0.000 . 2 . . . . A 40 GLN HE22 . 30980 1 294 . 1 . 1 41 41 SER H H 1 7.782 0.000 . 1 . . . . A 41 SER H . 30980 1 295 . 1 . 1 41 41 SER HA H 1 3.763 0.001 . 1 . . . . A 41 SER HA . 30980 1 296 . 1 . 1 41 41 SER HB2 H 1 3.976 0.000 . 2 . . . . A 41 SER HB2 . 30980 1 297 . 1 . 1 41 41 SER HB3 H 1 3.788 0.000 . 2 . . . . A 41 SER HB3 . 30980 1 298 . 1 . 1 42 42 ALA H H 1 8.507 0.000 . 1 . . . . A 42 ALA H . 30980 1 299 . 1 . 1 42 42 ALA HA H 1 4.149 0.001 . 1 . . . . A 42 ALA HA . 30980 1 300 . 1 . 1 42 42 ALA HB1 H 1 1.448 0.000 . 1 . . . . A 42 ALA HB1 . 30980 1 301 . 1 . 1 42 42 ALA HB2 H 1 1.448 0.000 . 1 . . . . A 42 ALA HB2 . 30980 1 302 . 1 . 1 42 42 ALA HB3 H 1 1.448 0.000 . 1 . . . . A 42 ALA HB3 . 30980 1 303 . 1 . 1 43 43 ASN H H 1 7.933 0.001 . 1 . . . . A 43 ASN H . 30980 1 304 . 1 . 1 43 43 ASN HA H 1 4.550 0.001 . 1 . . . . A 43 ASN HA . 30980 1 305 . 1 . 1 43 43 ASN HB2 H 1 2.910 0.001 . 1 . . . . A 43 ASN HB2 . 30980 1 306 . 1 . 1 43 43 ASN HB3 H 1 2.910 0.001 . 1 . . . . A 43 ASN HB3 . 30980 1 307 . 1 . 1 43 43 ASN HD21 H 1 6.992 0.000 . 2 . . . . A 43 ASN HD21 . 30980 1 308 . 1 . 1 43 43 ASN HD22 H 1 7.770 0.000 . 2 . . . . A 43 ASN HD22 . 30980 1 309 . 1 . 1 44 44 LEU H H 1 8.619 0.000 . 1 . . . . A 44 LEU H . 30980 1 310 . 1 . 1 44 44 LEU HA H 1 4.184 0.001 . 1 . . . . A 44 LEU HA . 30980 1 311 . 1 . 1 44 44 LEU HB2 H 1 1.288 0.001 . 2 . . . . A 44 LEU HB2 . 30980 1 312 . 1 . 1 44 44 LEU HB3 H 1 1.836 0.000 . 2 . . . . A 44 LEU HB3 . 30980 1 313 . 1 . 1 44 44 LEU HG H 1 1.884 0.004 . 1 . . . . A 44 LEU HG . 30980 1 314 . 1 . 1 44 44 LEU HD11 H 1 0.813 0.000 . 2 . . . . A 44 LEU HD11 . 30980 1 315 . 1 . 1 44 44 LEU HD12 H 1 0.813 0.000 . 2 . . . . A 44 LEU HD12 . 30980 1 316 . 1 . 1 44 44 LEU HD13 H 1 0.813 0.000 . 2 . . . . A 44 LEU HD13 . 30980 1 317 . 1 . 1 44 44 LEU HD21 H 1 1.122 0.000 . 2 . . . . A 44 LEU HD21 . 30980 1 318 . 1 . 1 44 44 LEU HD22 H 1 1.122 0.000 . 2 . . . . A 44 LEU HD22 . 30980 1 319 . 1 . 1 44 44 LEU HD23 H 1 1.122 0.000 . 2 . . . . A 44 LEU HD23 . 30980 1 320 . 1 . 1 45 45 LEU H H 1 8.452 0.000 . 1 . . . . A 45 LEU H . 30980 1 321 . 1 . 1 45 45 LEU HA H 1 3.840 0.001 . 1 . . . . A 45 LEU HA . 30980 1 322 . 1 . 1 45 45 LEU HB2 H 1 1.509 0.000 . 2 . . . . A 45 LEU HB2 . 30980 1 323 . 1 . 1 45 45 LEU HB3 H 1 1.889 0.000 . 2 . . . . A 45 LEU HB3 . 30980 1 324 . 1 . 1 45 45 LEU HG H 1 1.566 0.001 . 1 . . . . A 45 LEU HG . 30980 1 325 . 1 . 1 45 45 LEU HD11 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD11 . 30980 1 326 . 1 . 1 45 45 LEU HD12 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD12 . 30980 1 327 . 1 . 1 45 45 LEU HD13 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD13 . 30980 1 328 . 1 . 1 45 45 LEU HD21 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD21 . 30980 1 329 . 1 . 1 45 45 LEU HD22 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD22 . 30980 1 330 . 1 . 1 45 45 LEU HD23 H 1 0.912 0.000 . 1 . . . . A 45 LEU HD23 . 30980 1 331 . 1 . 1 46 46 ALA H H 1 7.637 0.003 . 1 . . . . A 46 ALA H . 30980 1 332 . 1 . 1 46 46 ALA HA H 1 4.062 0.000 . 1 . . . . A 46 ALA HA . 30980 1 333 . 1 . 1 46 46 ALA HB1 H 1 1.570 0.003 . 1 . . . . A 46 ALA HB1 . 30980 1 334 . 1 . 1 46 46 ALA HB2 H 1 1.570 0.003 . 1 . . . . A 46 ALA HB2 . 30980 1 335 . 1 . 1 46 46 ALA HB3 H 1 1.570 0.003 . 1 . . . . A 46 ALA HB3 . 30980 1 336 . 1 . 1 47 47 GLU H H 1 8.105 0.000 . 1 . . . . A 47 GLU H . 30980 1 337 . 1 . 1 47 47 GLU HA H 1 4.050 0.001 . 1 . . . . A 47 GLU HA . 30980 1 338 . 1 . 1 47 47 GLU HB2 H 1 2.280 0.000 . 2 . . . . A 47 GLU HB2 . 30980 1 339 . 1 . 1 47 47 GLU HB3 H 1 2.346 0.001 . 2 . . . . A 47 GLU HB3 . 30980 1 340 . 1 . 1 47 47 GLU HG2 H 1 2.534 0.002 . 2 . . . . A 47 GLU HG2 . 30980 1 341 . 1 . 1 47 47 GLU HG3 H 1 2.620 0.000 . 2 . . . . A 47 GLU HG3 . 30980 1 342 . 1 . 1 48 48 ALA H H 1 8.483 0.000 . 1 . . . . A 48 ALA H . 30980 1 343 . 1 . 1 48 48 ALA HA H 1 3.502 0.001 . 1 . . . . A 48 ALA HA . 30980 1 344 . 1 . 1 48 48 ALA HB1 H 1 0.521 0.000 . 1 . . . . A 48 ALA HB1 . 30980 1 345 . 1 . 1 48 48 ALA HB2 H 1 0.521 0.000 . 1 . . . . A 48 ALA HB2 . 30980 1 346 . 1 . 1 48 48 ALA HB3 H 1 0.521 0.000 . 1 . . . . A 48 ALA HB3 . 30980 1 347 . 1 . 1 49 49 LYS H H 1 8.503 0.000 . 1 . . . . A 49 LYS H . 30980 1 348 . 1 . 1 49 49 LYS HA H 1 3.786 0.001 . 1 . . . . A 49 LYS HA . 30980 1 349 . 1 . 1 49 49 LYS HB2 H 1 1.804 0.000 . 2 . . . . A 49 LYS HB2 . 30980 1 350 . 1 . 1 49 49 LYS HB3 H 1 1.962 0.000 . 2 . . . . A 49 LYS HB3 . 30980 1 351 . 1 . 1 49 49 LYS HG2 H 1 1.365 0.001 . 1 . . . . A 49 LYS HG2 . 30980 1 352 . 1 . 1 49 49 LYS HG3 H 1 1.365 0.001 . 1 . . . . A 49 LYS HG3 . 30980 1 353 . 1 . 1 49 49 LYS HD2 H 1 1.651 0.000 . 1 . . . . A 49 LYS HD2 . 30980 1 354 . 1 . 1 49 49 LYS HD3 H 1 1.651 0.000 . 1 . . . . A 49 LYS HD3 . 30980 1 355 . 1 . 1 49 49 LYS HE2 H 1 2.867 0.000 . 2 . . . . A 49 LYS HE2 . 30980 1 356 . 1 . 1 49 49 LYS HE3 H 1 2.957 0.000 . 2 . . . . A 49 LYS HE3 . 30980 1 357 . 1 . 1 50 50 LYS H H 1 7.722 0.000 . 1 . . . . A 50 LYS H . 30980 1 358 . 1 . 1 50 50 LYS HA H 1 4.135 0.001 . 1 . . . . A 50 LYS HA . 30980 1 359 . 1 . 1 50 50 LYS HB2 H 1 1.970 0.000 . 1 . . . . A 50 LYS HB2 . 30980 1 360 . 1 . 1 50 50 LYS HB3 H 1 1.970 0.000 . 1 . . . . A 50 LYS HB3 . 30980 1 361 . 1 . 1 50 50 LYS HG2 H 1 1.459 0.000 . 1 . . . . A 50 LYS HG2 . 30980 1 362 . 1 . 1 50 50 LYS HG3 H 1 1.459 0.000 . 1 . . . . A 50 LYS HG3 . 30980 1 363 . 1 . 1 50 50 LYS HD2 H 1 1.643 0.002 . 2 . . . . A 50 LYS HD2 . 30980 1 364 . 1 . 1 50 50 LYS HD3 H 1 1.744 0.002 . 2 . . . . A 50 LYS HD3 . 30980 1 365 . 1 . 1 50 50 LYS HE2 H 1 2.995 0.002 . 1 . . . . A 50 LYS HE2 . 30980 1 366 . 1 . 1 50 50 LYS HE3 H 1 2.995 0.002 . 1 . . . . A 50 LYS HE3 . 30980 1 367 . 1 . 1 51 51 LEU H H 1 7.961 0.000 . 1 . . . . A 51 LEU H . 30980 1 368 . 1 . 1 51 51 LEU HA H 1 4.188 0.000 . 1 . . . . A 51 LEU HA . 30980 1 369 . 1 . 1 51 51 LEU HB2 H 1 1.731 0.004 . 1 . . . . A 51 LEU HB2 . 30980 1 370 . 1 . 1 51 51 LEU HB3 H 1 1.731 0.004 . 1 . . . . A 51 LEU HB3 . 30980 1 371 . 1 . 1 51 51 LEU HG H 1 1.587 0.000 . 1 . . . . A 51 LEU HG . 30980 1 372 . 1 . 1 51 51 LEU HD11 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD11 . 30980 1 373 . 1 . 1 51 51 LEU HD12 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD12 . 30980 1 374 . 1 . 1 51 51 LEU HD13 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD13 . 30980 1 375 . 1 . 1 51 51 LEU HD21 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD21 . 30980 1 376 . 1 . 1 51 51 LEU HD22 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD22 . 30980 1 377 . 1 . 1 51 51 LEU HD23 H 1 1.012 0.003 . 1 . . . . A 51 LEU HD23 . 30980 1 378 . 1 . 1 52 52 ASN H H 1 8.583 0.000 . 1 . . . . A 52 ASN H . 30980 1 379 . 1 . 1 52 52 ASN HA H 1 3.967 0.005 . 1 . . . . A 52 ASN HA . 30980 1 380 . 1 . 1 52 52 ASN HB2 H 1 2.409 0.000 . 2 . . . . A 52 ASN HB2 . 30980 1 381 . 1 . 1 52 52 ASN HB3 H 1 3.131 0.000 . 2 . . . . A 52 ASN HB3 . 30980 1 382 . 1 . 1 52 52 ASN HD21 H 1 6.861 0.000 . 2 . . . . A 52 ASN HD21 . 30980 1 383 . 1 . 1 52 52 ASN HD22 H 1 7.947 0.000 . 2 . . . . A 52 ASN HD22 . 30980 1 384 . 1 . 1 53 53 ASP H H 1 8.256 0.001 . 1 . . . . A 53 ASP H . 30980 1 385 . 1 . 1 53 53 ASP HA H 1 4.488 0.000 . 1 . . . . A 53 ASP HA . 30980 1 386 . 1 . 1 53 53 ASP HB2 H 1 2.748 0.000 . 2 . . . . A 53 ASP HB2 . 30980 1 387 . 1 . 1 53 53 ASP HB3 H 1 2.793 0.000 . 2 . . . . A 53 ASP HB3 . 30980 1 388 . 1 . 1 54 54 ALA H H 1 8.056 0.000 . 1 . . . . A 54 ALA H . 30980 1 389 . 1 . 1 54 54 ALA HA H 1 4.271 0.001 . 1 . . . . A 54 ALA HA . 30980 1 390 . 1 . 1 54 54 ALA HB1 H 1 1.617 0.000 . 1 . . . . A 54 ALA HB1 . 30980 1 391 . 1 . 1 54 54 ALA HB2 H 1 1.617 0.000 . 1 . . . . A 54 ALA HB2 . 30980 1 392 . 1 . 1 54 54 ALA HB3 H 1 1.617 0.000 . 1 . . . . A 54 ALA HB3 . 30980 1 393 . 1 . 1 55 55 GLN H H 1 7.566 0.004 . 1 . . . . A 55 GLN H . 30980 1 394 . 1 . 1 55 55 GLN HA H 1 4.407 0.002 . 1 . . . . A 55 GLN HA . 30980 1 395 . 1 . 1 55 55 GLN HB2 H 1 1.830 0.006 . 2 . . . . A 55 GLN HB2 . 30980 1 396 . 1 . 1 55 55 GLN HB3 H 1 2.331 0.000 . 2 . . . . A 55 GLN HB3 . 30980 1 397 . 1 . 1 55 55 GLN HG2 H 1 2.500 0.001 . 2 . . . . A 55 GLN HG2 . 30980 1 398 . 1 . 1 55 55 GLN HG3 H 1 2.663 0.003 . 2 . . . . A 55 GLN HG3 . 30980 1 399 . 1 . 1 55 55 GLN HE21 H 1 7.299 0.000 . 2 . . . . A 55 GLN HE21 . 30980 1 400 . 1 . 1 55 55 GLN HE22 H 1 8.717 0.000 . 2 . . . . A 55 GLN HE22 . 30980 1 401 . 1 . 1 56 56 ALA H H 1 7.159 0.000 . 1 . . . . A 56 ALA H . 30980 1 402 . 1 . 1 56 56 ALA HA H 1 4.369 0.001 . 1 . . . . A 56 ALA HA . 30980 1 403 . 1 . 1 56 56 ALA HB1 H 1 1.470 0.003 . 1 . . . . A 56 ALA HB1 . 30980 1 404 . 1 . 1 56 56 ALA HB2 H 1 1.470 0.003 . 1 . . . . A 56 ALA HB2 . 30980 1 405 . 1 . 1 56 56 ALA HB3 H 1 1.470 0.003 . 1 . . . . A 56 ALA HB3 . 30980 1 406 . 1 . 1 57 57 PRO HA H 1 4.458 0.001 . 1 . . . . A 57 PRO HA . 30980 1 407 . 1 . 1 57 57 PRO HB2 H 1 1.952 0.001 . 2 . . . . A 57 PRO HB2 . 30980 1 408 . 1 . 1 57 57 PRO HB3 H 1 2.344 0.001 . 2 . . . . A 57 PRO HB3 . 30980 1 409 . 1 . 1 57 57 PRO HG2 H 1 2.111 0.003 . 1 . . . . A 57 PRO HG2 . 30980 1 410 . 1 . 1 57 57 PRO HG3 H 1 2.111 0.003 . 1 . . . . A 57 PRO HG3 . 30980 1 411 . 1 . 1 57 57 PRO HD2 H 1 3.653 0.002 . 2 . . . . A 57 PRO HD2 . 30980 1 412 . 1 . 1 57 57 PRO HD3 H 1 3.817 0.003 . 2 . . . . A 57 PRO HD3 . 30980 1 413 . 1 . 1 58 58 LYS H H 1 8.482 0.000 . 1 . . . . A 58 LYS H . 30980 1 414 . 1 . 1 58 58 LYS HA H 1 4.331 0.001 . 1 . . . . A 58 LYS HA . 30980 1 415 . 1 . 1 58 58 LYS HB2 H 1 1.797 0.002 . 2 . . . . A 58 LYS HB2 . 30980 1 416 . 1 . 1 58 58 LYS HB3 H 1 1.901 0.000 . 2 . . . . A 58 LYS HB3 . 30980 1 417 . 1 . 1 58 58 LYS HG2 H 1 1.525 0.000 . 1 . . . . A 58 LYS HG2 . 30980 1 418 . 1 . 1 58 58 LYS HG3 H 1 1.525 0.000 . 1 . . . . A 58 LYS HG3 . 30980 1 419 . 1 . 1 58 58 LYS HD2 H 1 1.724 0.003 . 1 . . . . A 58 LYS HD2 . 30980 1 420 . 1 . 1 58 58 LYS HD3 H 1 1.724 0.003 . 1 . . . . A 58 LYS HD3 . 30980 1 421 . 1 . 1 58 58 LYS HE2 H 1 3.068 0.003 . 1 . . . . A 58 LYS HE2 . 30980 1 422 . 1 . 1 58 58 LYS HE3 H 1 3.068 0.003 . 1 . . . . A 58 LYS HE3 . 30980 1 423 . 1 . 1 59 59 NH2 HN1 H 1 7.099 0.000 . 2 . . . . A 59 NH2 HN1 . 30980 1 424 . 1 . 1 59 59 NH2 HN2 H 1 7.581 0.000 . 2 . . . . A 59 NH2 HN2 . 30980 1 stop_ save_