################################### # 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 30983 _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' . . . 30983 1 2 '2D 1H-1H NOESY' . . . 30983 1 3 '2D 1H-1H COSY' . . . 30983 1 4 '2D DQF-COSY' . . . 30983 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 4.095 0.000 . 1 . . . . A 1 ALA HA . 30983 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.529 0.000 . 1 . . . . A 1 ALA HB1 . 30983 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.529 0.000 . 1 . . . . A 1 ALA HB2 . 30983 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.529 0.000 . 1 . . . . A 1 ALA HB3 . 30983 1 5 . 1 . 1 2 2 ASP H H 1 8.788 0.001 . 1 . . . . A 2 ASP H . 30983 1 6 . 1 . 1 2 2 ASP HA H 1 4.633 0.001 . 1 . . . . A 2 ASP HA . 30983 1 7 . 1 . 1 2 2 ASP HB2 H 1 2.583 0.001 . 2 . . . . A 2 ASP HB2 . 30983 1 8 . 1 . 1 2 2 ASP HB3 H 1 2.708 0.002 . 2 . . . . A 2 ASP HB3 . 30983 1 9 . 1 . 1 3 3 ASN H H 1 8.584 0.000 . 1 . . . . A 3 ASN H . 30983 1 10 . 1 . 1 3 3 ASN HA H 1 4.588 0.000 . 1 . . . . A 3 ASN HA . 30983 1 11 . 1 . 1 3 3 ASN HB2 H 1 2.577 0.000 . 1 . . . . A 3 ASN HB2 . 30983 1 12 . 1 . 1 3 3 ASN HB3 H 1 2.577 0.000 . 1 . . . . A 3 ASN HB3 . 30983 1 13 . 1 . 1 3 3 ASN HD21 H 1 6.971 0.000 . 2 . . . . A 3 ASN HD21 . 30983 1 14 . 1 . 1 3 3 ASN HD22 H 1 7.624 0.000 . 2 . . . . A 3 ASN HD22 . 30983 1 15 . 1 . 1 4 4 LYS H H 1 8.414 0.001 . 1 . . . . A 4 LYS H . 30983 1 16 . 1 . 1 4 4 LYS HA H 1 4.166 0.000 . 1 . . . . A 4 LYS HA . 30983 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.654 0.000 . 2 . . . . A 4 LYS HB2 . 30983 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.689 0.000 . 2 . . . . A 4 LYS HB3 . 30983 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.250 0.001 . 1 . . . . A 4 LYS HG2 . 30983 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.250 0.001 . 1 . . . . A 4 LYS HG3 . 30983 1 21 . 1 . 1 4 4 LYS HD2 H 1 1.608 0.000 . 1 . . . . A 4 LYS HD2 . 30983 1 22 . 1 . 1 4 4 LYS HD3 H 1 1.608 0.000 . 1 . . . . A 4 LYS HD3 . 30983 1 23 . 1 . 1 4 4 LYS HE2 H 1 2.944 0.001 . 1 . . . . A 4 LYS HE2 . 30983 1 24 . 1 . 1 4 4 LYS HE3 H 1 2.944 0.001 . 1 . . . . A 4 LYS HE3 . 30983 1 25 . 1 . 1 5 5 PHE H H 1 8.285 0.002 . 1 . . . . A 5 PHE H . 30983 1 26 . 1 . 1 5 5 PHE HA H 1 4.973 0.000 . 1 . . . . A 5 PHE HA . 30983 1 27 . 1 . 1 5 5 PHE HB2 H 1 3.010 0.000 . 2 . . . . A 5 PHE HB2 . 30983 1 28 . 1 . 1 5 5 PHE HB3 H 1 3.328 0.002 . 2 . . . . A 5 PHE HB3 . 30983 1 29 . 1 . 1 5 5 PHE HD1 H 1 7.170 0.000 . 1 . . . . A 5 PHE HD1 . 30983 1 30 . 1 . 1 5 5 PHE HD2 H 1 7.170 0.000 . 1 . . . . A 5 PHE HD2 . 30983 1 31 . 1 . 1 5 5 PHE HE1 H 1 7.106 0.000 . 1 . . . . A 5 PHE HE1 . 30983 1 32 . 1 . 1 5 5 PHE HE2 H 1 7.106 0.000 . 1 . . . . A 5 PHE HE2 . 30983 1 33 . 1 . 1 6 6 ASN H H 1 8.535 0.000 . 1 . . . . A 6 ASN H . 30983 1 34 . 1 . 1 6 6 ASN HA H 1 4.702 0.001 . 1 . . . . A 6 ASN HA . 30983 1 35 . 1 . 1 6 6 ASN HB2 H 1 2.950 0.000 . 2 . . . . A 6 ASN HB2 . 30983 1 36 . 1 . 1 6 6 ASN HB3 H 1 3.236 0.000 . 2 . . . . A 6 ASN HB3 . 30983 1 37 . 1 . 1 6 6 ASN HD21 H 1 7.012 0.000 . 2 . . . . A 6 ASN HD21 . 30983 1 38 . 1 . 1 6 6 ASN HD22 H 1 7.644 0.000 . 2 . . . . A 6 ASN HD22 . 30983 1 39 . 1 . 1 7 7 LYS H H 1 8.484 0.000 . 1 . . . . A 7 LYS H . 30983 1 40 . 1 . 1 7 7 LYS HA H 1 3.992 0.000 . 1 . . . . A 7 LYS HA . 30983 1 41 . 1 . 1 7 7 LYS HB2 H 1 1.826 0.000 . 2 . . . . A 7 LYS HB2 . 30983 1 42 . 1 . 1 7 7 LYS HB3 H 1 1.884 0.000 . 2 . . . . A 7 LYS HB3 . 30983 1 43 . 1 . 1 7 7 LYS HG2 H 1 1.435 0.000 . 2 . . . . A 7 LYS HG2 . 30983 1 44 . 1 . 1 7 7 LYS HG3 H 1 1.510 0.000 . 2 . . . . A 7 LYS HG3 . 30983 1 45 . 1 . 1 7 7 LYS HD2 H 1 1.716 0.000 . 1 . . . . A 7 LYS HD2 . 30983 1 46 . 1 . 1 7 7 LYS HD3 H 1 1.716 0.000 . 1 . . . . A 7 LYS HD3 . 30983 1 47 . 1 . 1 7 7 LYS HE2 H 1 3.011 0.000 . 1 . . . . A 7 LYS HE2 . 30983 1 48 . 1 . 1 7 7 LYS HE3 H 1 3.011 0.000 . 1 . . . . A 7 LYS HE3 . 30983 1 49 . 1 . 1 8 8 GLU H H 1 8.391 0.000 . 1 . . . . A 8 GLU H . 30983 1 50 . 1 . 1 8 8 GLU HA H 1 4.110 0.001 . 1 . . . . A 8 GLU HA . 30983 1 51 . 1 . 1 8 8 GLU HB2 H 1 2.069 0.000 . 2 . . . . A 8 GLU HB2 . 30983 1 52 . 1 . 1 8 8 GLU HB3 H 1 2.162 0.000 . 2 . . . . A 8 GLU HB3 . 30983 1 53 . 1 . 1 8 8 GLU HG2 H 1 2.374 0.000 . 1 . . . . A 8 GLU HG2 . 30983 1 54 . 1 . 1 8 8 GLU HG3 H 1 2.374 0.000 . 1 . . . . A 8 GLU HG3 . 30983 1 55 . 1 . 1 9 9 GLN H H 1 8.630 0.000 . 1 . . . . A 9 GLN H . 30983 1 56 . 1 . 1 9 9 GLN HA H 1 3.874 0.001 . 1 . . . . A 9 GLN HA . 30983 1 57 . 1 . 1 9 9 GLN HB2 H 1 1.660 0.000 . 2 . . . . A 9 GLN HB2 . 30983 1 58 . 1 . 1 9 9 GLN HB3 H 1 2.160 0.000 . 2 . . . . A 9 GLN HB3 . 30983 1 59 . 1 . 1 9 9 GLN HG2 H 1 2.243 0.000 . 2 . . . . A 9 GLN HG2 . 30983 1 60 . 1 . 1 9 9 GLN HG3 H 1 2.423 0.000 . 2 . . . . A 9 GLN HG3 . 30983 1 61 . 1 . 1 9 9 GLN HE21 H 1 7.254 0.000 . 2 . . . . A 9 GLN HE21 . 30983 1 62 . 1 . 1 9 9 GLN HE22 H 1 7.441 0.000 . 2 . . . . A 9 GLN HE22 . 30983 1 63 . 1 . 1 10 10 GLN H H 1 8.629 0.000 . 1 . . . . A 10 GLN H . 30983 1 64 . 1 . 1 10 10 GLN HA H 1 3.989 0.002 . 1 . . . . A 10 GLN HA . 30983 1 65 . 1 . 1 10 10 GLN HB2 H 1 2.200 0.000 . 1 . . . . A 10 GLN HB2 . 30983 1 66 . 1 . 1 10 10 GLN HB3 H 1 2.200 0.000 . 1 . . . . A 10 GLN HB3 . 30983 1 67 . 1 . 1 10 10 GLN HG2 H 1 2.483 0.000 . 1 . . . . A 10 GLN HG2 . 30983 1 68 . 1 . 1 10 10 GLN HG3 H 1 2.483 0.000 . 1 . . . . A 10 GLN HG3 . 30983 1 69 . 1 . 1 10 10 GLN HE21 H 1 6.984 0.000 . 2 . . . . A 10 GLN HE21 . 30983 1 70 . 1 . 1 10 10 GLN HE22 H 1 7.364 0.000 . 2 . . . . A 10 GLN HE22 . 30983 1 71 . 1 . 1 11 11 ASN H H 1 8.343 0.000 . 1 . . . . A 11 ASN H . 30983 1 72 . 1 . 1 11 11 ASN HA H 1 4.605 0.001 . 1 . . . . A 11 ASN HA . 30983 1 73 . 1 . 1 11 11 ASN HB2 H 1 2.907 0.000 . 1 . . . . A 11 ASN HB2 . 30983 1 74 . 1 . 1 11 11 ASN HB3 H 1 2.907 0.000 . 1 . . . . A 11 ASN HB3 . 30983 1 75 . 1 . 1 11 11 ASN HD21 H 1 7.125 0.000 . 2 . . . . A 11 ASN HD21 . 30983 1 76 . 1 . 1 11 11 ASN HD22 H 1 7.872 0.000 . 2 . . . . A 11 ASN HD22 . 30983 1 77 . 1 . 1 12 12 ALA H H 1 8.013 0.000 . 1 . . . . A 12 ALA H . 30983 1 78 . 1 . 1 12 12 ALA HA H 1 4.114 0.001 . 1 . . . . A 12 ALA HA . 30983 1 79 . 1 . 1 12 12 ALA HB1 H 1 1.474 0.000 . 1 . . . . A 12 ALA HB1 . 30983 1 80 . 1 . 1 12 12 ALA HB2 H 1 1.474 0.000 . 1 . . . . A 12 ALA HB2 . 30983 1 81 . 1 . 1 12 12 ALA HB3 H 1 1.474 0.000 . 1 . . . . A 12 ALA HB3 . 30983 1 82 . 1 . 1 13 13 PHE H H 1 8.341 0.000 . 1 . . . . A 13 PHE H . 30983 1 83 . 1 . 1 13 13 PHE HA H 1 3.961 0.001 . 1 . . . . A 13 PHE HA . 30983 1 84 . 1 . 1 13 13 PHE HB2 H 1 3.061 0.000 . 2 . . . . A 13 PHE HB2 . 30983 1 85 . 1 . 1 13 13 PHE HB3 H 1 3.343 0.000 . 2 . . . . A 13 PHE HB3 . 30983 1 86 . 1 . 1 13 13 PHE HD1 H 1 7.105 0.000 . 1 . . . . A 13 PHE HD1 . 30983 1 87 . 1 . 1 13 13 PHE HD2 H 1 7.105 0.000 . 1 . . . . A 13 PHE HD2 . 30983 1 88 . 1 . 1 13 13 PHE HE1 H 1 7.288 0.000 . 1 . . . . A 13 PHE HE1 . 30983 1 89 . 1 . 1 13 13 PHE HE2 H 1 7.288 0.000 . 1 . . . . A 13 PHE HE2 . 30983 1 90 . 1 . 1 13 13 PHE HZ H 1 7.157 0.000 . 1 . . . . A 13 PHE HZ . 30983 1 91 . 1 . 1 14 14 TYR H H 1 8.098 0.000 . 1 . . . . A 14 TYR H . 30983 1 92 . 1 . 1 14 14 TYR HA H 1 3.991 0.002 . 1 . . . . A 14 TYR HA . 30983 1 93 . 1 . 1 14 14 TYR HB2 H 1 3.230 0.000 . 2 . . . . A 14 TYR HB2 . 30983 1 94 . 1 . 1 14 14 TYR HB3 H 1 3.267 0.000 . 2 . . . . A 14 TYR HB3 . 30983 1 95 . 1 . 1 14 14 TYR HD1 H 1 6.693 0.000 . 1 . . . . A 14 TYR HD1 . 30983 1 96 . 1 . 1 14 14 TYR HD2 H 1 6.693 0.000 . 1 . . . . A 14 TYR HD2 . 30983 1 97 . 1 . 1 14 14 TYR HE1 H 1 7.135 0.000 . 1 . . . . A 14 TYR HE1 . 30983 1 98 . 1 . 1 14 14 TYR HE2 H 1 7.135 0.000 . 1 . . . . A 14 TYR HE2 . 30983 1 99 . 1 . 1 15 15 GLU H H 1 8.638 0.000 . 1 . . . . A 15 GLU H . 30983 1 100 . 1 . 1 15 15 GLU HA H 1 4.035 0.002 . 1 . . . . A 15 GLU HA . 30983 1 101 . 1 . 1 15 15 GLU HB2 H 1 2.059 0.000 . 2 . . . . A 15 GLU HB2 . 30983 1 102 . 1 . 1 15 15 GLU HB3 H 1 2.195 0.000 . 2 . . . . A 15 GLU HB3 . 30983 1 103 . 1 . 1 15 15 GLU HG2 H 1 2.281 0.002 . 2 . . . . A 15 GLU HG2 . 30983 1 104 . 1 . 1 15 15 GLU HG3 H 1 2.567 0.002 . 2 . . . . A 15 GLU HG3 . 30983 1 105 . 1 . 1 16 16 ILE H H 1 8.572 0.000 . 1 . . . . A 16 ILE H . 30983 1 106 . 1 . 1 16 16 ILE HA H 1 3.445 0.000 . 1 . . . . A 16 ILE HA . 30983 1 107 . 1 . 1 16 16 ILE HB H 1 1.924 0.001 . 1 . . . . A 16 ILE HB . 30983 1 108 . 1 . 1 16 16 ILE HG12 H 1 1.743 0.000 . 1 . . . . A 16 ILE HG12 . 30983 1 109 . 1 . 1 16 16 ILE HG13 H 1 1.743 0.000 . 1 . . . . A 16 ILE HG13 . 30983 1 110 . 1 . 1 16 16 ILE HG21 H 1 0.826 0.000 . 1 . . . . A 16 ILE HG21 . 30983 1 111 . 1 . 1 16 16 ILE HG22 H 1 0.826 0.000 . 1 . . . . A 16 ILE HG22 . 30983 1 112 . 1 . 1 16 16 ILE HG23 H 1 0.826 0.000 . 1 . . . . A 16 ILE HG23 . 30983 1 113 . 1 . 1 16 16 ILE HD11 H 1 0.568 0.000 . 1 . . . . A 16 ILE HD11 . 30983 1 114 . 1 . 1 16 16 ILE HD12 H 1 0.568 0.000 . 1 . . . . A 16 ILE HD12 . 30983 1 115 . 1 . 1 16 16 ILE HD13 H 1 0.568 0.000 . 1 . . . . A 16 ILE HD13 . 30983 1 116 . 1 . 1 17 17 LEU H H 1 7.886 0.000 . 1 . . . . A 17 LEU H . 30983 1 117 . 1 . 1 17 17 LEU HA H 1 3.736 0.001 . 1 . . . . A 17 LEU HA . 30983 1 118 . 1 . 1 17 17 LEU HB2 H 1 1.117 0.001 . 2 . . . . A 17 LEU HB2 . 30983 1 119 . 1 . 1 17 17 LEU HB3 H 1 1.538 0.004 . 2 . . . . A 17 LEU HB3 . 30983 1 120 . 1 . 1 17 17 LEU HG H 1 1.459 0.002 . 1 . . . . A 17 LEU HG . 30983 1 121 . 1 . 1 17 17 LEU HD11 H 1 0.621 0.001 . 2 . . . . A 17 LEU HD11 . 30983 1 122 . 1 . 1 17 17 LEU HD12 H 1 0.621 0.001 . 2 . . . . A 17 LEU HD12 . 30983 1 123 . 1 . 1 17 17 LEU HD13 H 1 0.621 0.001 . 2 . . . . A 17 LEU HD13 . 30983 1 124 . 1 . 1 17 17 LEU HD21 H 1 0.682 0.001 . 2 . . . . A 17 LEU HD21 . 30983 1 125 . 1 . 1 17 17 LEU HD22 H 1 0.682 0.001 . 2 . . . . A 17 LEU HD22 . 30983 1 126 . 1 . 1 17 17 LEU HD23 H 1 0.682 0.001 . 2 . . . . A 17 LEU HD23 . 30983 1 127 . 1 . 1 18 18 HIS H H 1 7.336 0.000 . 1 . . . . A 18 HIS H . 30983 1 128 . 1 . 1 18 18 HIS HA H 1 4.479 0.002 . 1 . . . . A 18 HIS HA . 30983 1 129 . 1 . 1 18 18 HIS HB2 H 1 2.750 0.000 . 2 . . . . A 18 HIS HB2 . 30983 1 130 . 1 . 1 18 18 HIS HB3 H 1 3.469 0.000 . 2 . . . . A 18 HIS HB3 . 30983 1 131 . 1 . 1 18 18 HIS HD2 H 1 7.071 0.000 . 1 . . . . A 18 HIS HD2 . 30983 1 132 . 1 . 1 18 18 HIS HE1 H 1 8.268 0.000 . 1 . . . . A 18 HIS HE1 . 30983 1 133 . 1 . 1 19 19 LEU H H 1 7.298 0.000 . 1 . . . . A 19 LEU H . 30983 1 134 . 1 . 1 19 19 LEU HA H 1 4.539 0.001 . 1 . . . . A 19 LEU HA . 30983 1 135 . 1 . 1 19 19 LEU HB2 H 1 1.440 0.000 . 2 . . . . A 19 LEU HB2 . 30983 1 136 . 1 . 1 19 19 LEU HB3 H 1 1.734 0.000 . 2 . . . . A 19 LEU HB3 . 30983 1 137 . 1 . 1 19 19 LEU HG H 1 2.156 0.001 . 1 . . . . A 19 LEU HG . 30983 1 138 . 1 . 1 19 19 LEU HD11 H 1 0.688 0.000 . 2 . . . . A 19 LEU HD11 . 30983 1 139 . 1 . 1 19 19 LEU HD12 H 1 0.688 0.000 . 2 . . . . A 19 LEU HD12 . 30983 1 140 . 1 . 1 19 19 LEU HD13 H 1 0.688 0.000 . 2 . . . . A 19 LEU HD13 . 30983 1 141 . 1 . 1 19 19 LEU HD21 H 1 0.872 0.000 . 2 . . . . A 19 LEU HD21 . 30983 1 142 . 1 . 1 19 19 LEU HD22 H 1 0.872 0.000 . 2 . . . . A 19 LEU HD22 . 30983 1 143 . 1 . 1 19 19 LEU HD23 H 1 0.872 0.000 . 2 . . . . A 19 LEU HD23 . 30983 1 144 . 1 . 1 20 20 PRO HA H 1 4.408 0.000 . 1 . . . . A 20 PRO HA . 30983 1 145 . 1 . 1 20 20 PRO HB2 H 1 2.325 0.000 . 1 . . . . A 20 PRO HB2 . 30983 1 146 . 1 . 1 20 20 PRO HB3 H 1 2.325 0.000 . 1 . . . . A 20 PRO HB3 . 30983 1 147 . 1 . 1 20 20 PRO HG2 H 1 2.181 0.000 . 1 . . . . A 20 PRO HG2 . 30983 1 148 . 1 . 1 20 20 PRO HG3 H 1 2.181 0.000 . 1 . . . . A 20 PRO HG3 . 30983 1 149 . 1 . 1 20 20 PRO HD2 H 1 3.847 0.000 . 2 . . . . A 20 PRO HD2 . 30983 1 150 . 1 . 1 20 20 PRO HD3 H 1 4.053 0.000 . 2 . . . . A 20 PRO HD3 . 30983 1 151 . 1 . 1 21 21 ASN H H 1 8.763 0.000 . 1 . . . . A 21 ASN H . 30983 1 152 . 1 . 1 21 21 ASN HA H 1 5.014 0.000 . 1 . . . . A 21 ASN HA . 30983 1 153 . 1 . 1 21 21 ASN HB2 H 1 2.901 0.000 . 2 . . . . A 21 ASN HB2 . 30983 1 154 . 1 . 1 21 21 ASN HB3 H 1 3.063 0.000 . 2 . . . . A 21 ASN HB3 . 30983 1 155 . 1 . 1 21 21 ASN HD21 H 1 7.199 0.000 . 2 . . . . A 21 ASN HD21 . 30983 1 156 . 1 . 1 21 21 ASN HD22 H 1 7.535 0.000 . 2 . . . . A 21 ASN HD22 . 30983 1 157 . 1 . 1 22 22 LEU H H 1 6.598 0.000 . 1 . . . . A 22 LEU H . 30983 1 158 . 1 . 1 22 22 LEU HA H 1 4.619 0.000 . 1 . . . . A 22 LEU HA . 30983 1 159 . 1 . 1 22 22 LEU HB2 H 1 1.689 0.000 . 1 . . . . A 22 LEU HB2 . 30983 1 160 . 1 . 1 22 22 LEU HB3 H 1 1.689 0.000 . 1 . . . . A 22 LEU HB3 . 30983 1 161 . 1 . 1 22 22 LEU HG H 1 1.716 0.000 . 1 . . . . A 22 LEU HG . 30983 1 162 . 1 . 1 22 22 LEU HD11 H 1 0.831 0.000 . 2 . . . . A 22 LEU HD11 . 30983 1 163 . 1 . 1 22 22 LEU HD12 H 1 0.831 0.000 . 2 . . . . A 22 LEU HD12 . 30983 1 164 . 1 . 1 22 22 LEU HD13 H 1 0.831 0.000 . 2 . . . . A 22 LEU HD13 . 30983 1 165 . 1 . 1 22 22 LEU HD21 H 1 0.926 0.000 . 2 . . . . A 22 LEU HD21 . 30983 1 166 . 1 . 1 22 22 LEU HD22 H 1 0.926 0.000 . 2 . . . . A 22 LEU HD22 . 30983 1 167 . 1 . 1 22 22 LEU HD23 H 1 0.926 0.000 . 2 . . . . A 22 LEU HD23 . 30983 1 168 . 1 . 1 23 23 ASN H H 1 8.620 0.000 . 1 . . . . A 23 ASN H . 30983 1 169 . 1 . 1 23 23 ASN HA H 1 4.904 0.001 . 1 . . . . A 23 ASN HA . 30983 1 170 . 1 . 1 23 23 ASN HB2 H 1 2.840 0.001 . 2 . . . . A 23 ASN HB2 . 30983 1 171 . 1 . 1 23 23 ASN HB3 H 1 3.324 0.000 . 2 . . . . A 23 ASN HB3 . 30983 1 172 . 1 . 1 23 23 ASN HD21 H 1 7.082 0.000 . 2 . . . . A 23 ASN HD21 . 30983 1 173 . 1 . 1 23 23 ASN HD22 H 1 7.519 0.000 . 2 . . . . A 23 ASN HD22 . 30983 1 174 . 1 . 1 24 24 GLU H H 1 8.619 0.000 . 1 . . . . A 24 GLU H . 30983 1 175 . 1 . 1 24 24 GLU HA H 1 3.924 0.002 . 1 . . . . A 24 GLU HA . 30983 1 176 . 1 . 1 24 24 GLU HB2 H 1 2.013 0.000 . 1 . . . . A 24 GLU HB2 . 30983 1 177 . 1 . 1 24 24 GLU HB3 H 1 2.013 0.000 . 1 . . . . A 24 GLU HB3 . 30983 1 178 . 1 . 1 24 24 GLU HG2 H 1 2.371 0.000 . 1 . . . . A 24 GLU HG2 . 30983 1 179 . 1 . 1 24 24 GLU HG3 H 1 2.371 0.000 . 1 . . . . A 24 GLU HG3 . 30983 1 180 . 1 . 1 25 25 GLU H H 1 8.274 0.000 . 1 . . . . A 25 GLU H . 30983 1 181 . 1 . 1 25 25 GLU HA H 1 4.054 0.000 . 1 . . . . A 25 GLU HA . 30983 1 182 . 1 . 1 25 25 GLU HB2 H 1 2.075 0.000 . 2 . . . . A 25 GLU HB2 . 30983 1 183 . 1 . 1 25 25 GLU HB3 H 1 2.128 0.000 . 2 . . . . A 25 GLU HB3 . 30983 1 184 . 1 . 1 25 25 GLU HG2 H 1 2.371 0.000 . 1 . . . . A 25 GLU HG2 . 30983 1 185 . 1 . 1 25 25 GLU HG3 H 1 2.371 0.000 . 1 . . . . A 25 GLU HG3 . 30983 1 186 . 1 . 1 26 26 GLN H H 1 8.712 0.000 . 1 . . . . A 26 GLN H . 30983 1 187 . 1 . 1 26 26 GLN HA H 1 4.044 0.000 . 1 . . . . A 26 GLN HA . 30983 1 188 . 1 . 1 26 26 GLN HB2 H 1 2.380 0.000 . 2 . . . . A 26 GLN HB2 . 30983 1 189 . 1 . 1 26 26 GLN HB3 H 1 2.443 0.000 . 2 . . . . A 26 GLN HB3 . 30983 1 190 . 1 . 1 26 26 GLN HG2 H 1 2.795 0.000 . 1 . . . . A 26 GLN HG2 . 30983 1 191 . 1 . 1 26 26 GLN HG3 H 1 2.795 0.000 . 1 . . . . A 26 GLN HG3 . 30983 1 192 . 1 . 1 26 26 GLN HE21 H 1 7.085 0.000 . 2 . . . . A 26 GLN HE21 . 30983 1 193 . 1 . 1 26 26 GLN HE22 H 1 7.948 0.000 . 2 . . . . A 26 GLN HE22 . 30983 1 194 . 1 . 1 27 27 ARG H H 1 8.686 0.000 . 1 . . . . A 27 ARG H . 30983 1 195 . 1 . 1 27 27 ARG HA H 1 3.800 0.001 . 1 . . . . A 27 ARG HA . 30983 1 196 . 1 . 1 27 27 ARG HB2 H 1 1.715 0.000 . 2 . . . . A 27 ARG HB2 . 30983 1 197 . 1 . 1 27 27 ARG HB3 H 1 1.925 0.002 . 2 . . . . A 27 ARG HB3 . 30983 1 198 . 1 . 1 27 27 ARG HG2 H 1 1.493 0.000 . 2 . . . . A 27 ARG HG2 . 30983 1 199 . 1 . 1 27 27 ARG HG3 H 1 1.756 0.000 . 2 . . . . A 27 ARG HG3 . 30983 1 200 . 1 . 1 27 27 ARG HD2 H 1 3.150 0.000 . 2 . . . . A 27 ARG HD2 . 30983 1 201 . 1 . 1 27 27 ARG HD3 H 1 3.325 0.000 . 2 . . . . A 27 ARG HD3 . 30983 1 202 . 1 . 1 28 28 ASN H H 1 8.539 0.000 . 1 . . . . A 28 ASN H . 30983 1 203 . 1 . 1 28 28 ASN HA H 1 4.416 0.000 . 1 . . . . A 28 ASN HA . 30983 1 204 . 1 . 1 28 28 ASN HB2 H 1 2.795 0.000 . 2 . . . . A 28 ASN HB2 . 30983 1 205 . 1 . 1 28 28 ASN HB3 H 1 2.915 0.000 . 2 . . . . A 28 ASN HB3 . 30983 1 206 . 1 . 1 28 28 ASN HD21 H 1 7.085 0.000 . 2 . . . . A 28 ASN HD21 . 30983 1 207 . 1 . 1 28 28 ASN HD22 H 1 7.728 0.000 . 2 . . . . A 28 ASN HD22 . 30983 1 208 . 1 . 1 29 29 ALA H H 1 8.032 0.000 . 1 . . . . A 29 ALA H . 30983 1 209 . 1 . 1 29 29 ALA HA H 1 4.192 0.001 . 1 . . . . A 29 ALA HA . 30983 1 210 . 1 . 1 29 29 ALA HB1 H 1 1.385 0.002 . 1 . . . . A 29 ALA HB1 . 30983 1 211 . 1 . 1 29 29 ALA HB2 H 1 1.385 0.002 . 1 . . . . A 29 ALA HB2 . 30983 1 212 . 1 . 1 29 29 ALA HB3 H 1 1.385 0.002 . 1 . . . . A 29 ALA HB3 . 30983 1 213 . 1 . 1 30 30 PHE H H 1 8.141 0.000 . 1 . . . . A 30 PHE H . 30983 1 214 . 1 . 1 30 30 PHE HA H 1 4.284 0.002 . 1 . . . . A 30 PHE HA . 30983 1 215 . 1 . 1 30 30 PHE HB2 H 1 2.981 0.000 . 2 . . . . A 30 PHE HB2 . 30983 1 216 . 1 . 1 30 30 PHE HB3 H 1 3.147 0.001 . 2 . . . . A 30 PHE HB3 . 30983 1 217 . 1 . 1 30 30 PHE HD1 H 1 7.326 0.000 . 1 . . . . A 30 PHE HD1 . 30983 1 218 . 1 . 1 30 30 PHE HD2 H 1 7.326 0.000 . 1 . . . . A 30 PHE HD2 . 30983 1 219 . 1 . 1 30 30 PHE HE1 H 1 7.356 0.000 . 1 . . . . A 30 PHE HE1 . 30983 1 220 . 1 . 1 30 30 PHE HE2 H 1 7.356 0.000 . 1 . . . . A 30 PHE HE2 . 30983 1 221 . 1 . 1 30 30 PHE HZ H 1 7.092 0.001 . 1 . . . . A 30 PHE HZ . 30983 1 222 . 1 . 1 31 31 ILE H H 1 8.480 0.000 . 1 . . . . A 31 ILE H . 30983 1 223 . 1 . 1 31 31 ILE HA H 1 3.757 0.002 . 1 . . . . A 31 ILE HA . 30983 1 224 . 1 . 1 31 31 ILE HB H 1 2.091 0.002 . 1 . . . . A 31 ILE HB . 30983 1 225 . 1 . 1 31 31 ILE HG12 H 1 1.336 0.000 . 2 . . . . A 31 ILE HG12 . 30983 1 226 . 1 . 1 31 31 ILE HG13 H 1 1.703 0.000 . 2 . . . . A 31 ILE HG13 . 30983 1 227 . 1 . 1 31 31 ILE HG21 H 1 0.924 0.000 . 1 . . . . A 31 ILE HG21 . 30983 1 228 . 1 . 1 31 31 ILE HG22 H 1 0.924 0.000 . 1 . . . . A 31 ILE HG22 . 30983 1 229 . 1 . 1 31 31 ILE HG23 H 1 0.924 0.000 . 1 . . . . A 31 ILE HG23 . 30983 1 230 . 1 . 1 31 31 ILE HD11 H 1 0.728 0.001 . 1 . . . . A 31 ILE HD11 . 30983 1 231 . 1 . 1 31 31 ILE HD12 H 1 0.728 0.001 . 1 . . . . A 31 ILE HD12 . 30983 1 232 . 1 . 1 31 31 ILE HD13 H 1 0.728 0.001 . 1 . . . . A 31 ILE HD13 . 30983 1 233 . 1 . 1 32 32 GLN H H 1 8.243 0.000 . 1 . . . . A 32 GLN H . 30983 1 234 . 1 . 1 32 32 GLN HA H 1 3.937 0.001 . 1 . . . . A 32 GLN HA . 30983 1 235 . 1 . 1 32 32 GLN HB2 H 1 2.194 0.000 . 1 . . . . A 32 GLN HB2 . 30983 1 236 . 1 . 1 32 32 GLN HB3 H 1 2.194 0.000 . 1 . . . . A 32 GLN HB3 . 30983 1 237 . 1 . 1 32 32 GLN HG2 H 1 2.415 0.000 . 1 . . . . A 32 GLN HG2 . 30983 1 238 . 1 . 1 32 32 GLN HG3 H 1 2.415 0.000 . 1 . . . . A 32 GLN HG3 . 30983 1 239 . 1 . 1 33 33 SER H H 1 8.137 0.000 . 1 . . . . A 33 SER H . 30983 1 240 . 1 . 1 33 33 SER HA H 1 4.278 0.001 . 1 . . . . A 33 SER HA . 30983 1 241 . 1 . 1 33 33 SER HB2 H 1 4.002 0.000 . 2 . . . . A 33 SER HB2 . 30983 1 242 . 1 . 1 33 33 SER HB3 H 1 4.053 0.000 . 2 . . . . A 33 SER HB3 . 30983 1 243 . 1 . 1 34 34 LEU H H 1 8.261 0.001 . 1 . . . . A 34 LEU H . 30983 1 244 . 1 . 1 34 34 LEU HA H 1 3.811 0.000 . 1 . . . . A 34 LEU HA . 30983 1 245 . 1 . 1 34 34 LEU HB2 H 1 1.668 0.000 . 2 . . . . A 34 LEU HB2 . 30983 1 246 . 1 . 1 34 34 LEU HB3 H 1 1.906 0.000 . 2 . . . . A 34 LEU HB3 . 30983 1 247 . 1 . 1 34 34 LEU HG H 1 1.760 0.003 . 1 . . . . A 34 LEU HG . 30983 1 248 . 1 . 1 34 34 LEU HD11 H 1 0.795 0.001 . 2 . . . . A 34 LEU HD11 . 30983 1 249 . 1 . 1 34 34 LEU HD12 H 1 0.795 0.001 . 2 . . . . A 34 LEU HD12 . 30983 1 250 . 1 . 1 34 34 LEU HD13 H 1 0.795 0.001 . 2 . . . . A 34 LEU HD13 . 30983 1 251 . 1 . 1 34 34 LEU HD21 H 1 0.835 0.000 . 2 . . . . A 34 LEU HD21 . 30983 1 252 . 1 . 1 34 34 LEU HD22 H 1 0.835 0.000 . 2 . . . . A 34 LEU HD22 . 30983 1 253 . 1 . 1 34 34 LEU HD23 H 1 0.835 0.000 . 2 . . . . A 34 LEU HD23 . 30983 1 254 . 1 . 1 35 35 LYS H H 1 7.904 0.000 . 1 . . . . A 35 LYS H . 30983 1 255 . 1 . 1 35 35 LYS HA H 1 4.021 0.001 . 1 . . . . A 35 LYS HA . 30983 1 256 . 1 . 1 35 35 LYS HB2 H 1 1.828 0.000 . 2 . . . . A 35 LYS HB2 . 30983 1 257 . 1 . 1 35 35 LYS HB3 H 1 2.026 0.000 . 2 . . . . A 35 LYS HB3 . 30983 1 258 . 1 . 1 35 35 LYS HG2 H 1 1.428 0.002 . 1 . . . . A 35 LYS HG2 . 30983 1 259 . 1 . 1 35 35 LYS HG3 H 1 1.428 0.002 . 1 . . . . A 35 LYS HG3 . 30983 1 260 . 1 . 1 35 35 LYS HD2 H 1 1.648 0.000 . 2 . . . . A 35 LYS HD2 . 30983 1 261 . 1 . 1 35 35 LYS HD3 H 1 1.693 0.000 . 2 . . . . A 35 LYS HD3 . 30983 1 262 . 1 . 1 35 35 LYS HE2 H 1 2.766 0.000 . 2 . . . . A 35 LYS HE2 . 30983 1 263 . 1 . 1 35 35 LYS HE3 H 1 2.874 0.000 . 2 . . . . A 35 LYS HE3 . 30983 1 264 . 1 . 1 36 36 ASP H H 1 8.126 0.000 . 1 . . . . A 36 ASP H . 30983 1 265 . 1 . 1 36 36 ASP HA H 1 4.471 0.001 . 1 . . . . A 36 ASP HA . 30983 1 266 . 1 . 1 36 36 ASP HB2 H 1 2.782 0.000 . 1 . . . . A 36 ASP HB2 . 30983 1 267 . 1 . 1 36 36 ASP HB3 H 1 2.782 0.000 . 1 . . . . A 36 ASP HB3 . 30983 1 268 . 1 . 1 37 37 ASP H H 1 7.804 0.000 . 1 . . . . A 37 ASP H . 30983 1 269 . 1 . 1 37 37 ASP HA H 1 5.011 0.000 . 1 . . . . A 37 ASP HA . 30983 1 270 . 1 . 1 37 37 ASP HB2 H 1 2.604 0.000 . 2 . . . . A 37 ASP HB2 . 30983 1 271 . 1 . 1 37 37 ASP HB3 H 1 3.000 0.000 . 2 . . . . A 37 ASP HB3 . 30983 1 272 . 1 . 1 38 38 PRO HA H 1 4.494 0.000 . 1 . . . . A 38 PRO HA . 30983 1 273 . 1 . 1 38 38 PRO HB2 H 1 2.021 0.000 . 2 . . . . A 38 PRO HB2 . 30983 1 274 . 1 . 1 38 38 PRO HB3 H 1 2.342 0.000 . 2 . . . . A 38 PRO HB3 . 30983 1 275 . 1 . 1 38 38 PRO HG2 H 1 2.126 0.000 . 2 . . . . A 38 PRO HG2 . 30983 1 276 . 1 . 1 38 38 PRO HG3 H 1 2.234 0.000 . 2 . . . . A 38 PRO HG3 . 30983 1 277 . 1 . 1 38 38 PRO HD2 H 1 3.660 0.000 . 2 . . . . A 38 PRO HD2 . 30983 1 278 . 1 . 1 38 38 PRO HD3 H 1 3.868 0.000 . 2 . . . . A 38 PRO HD3 . 30983 1 279 . 1 . 1 39 39 SER H H 1 8.305 0.000 . 1 . . . . A 39 SER H . 30983 1 280 . 1 . 1 39 39 SER HA H 1 4.209 0.000 . 1 . . . . A 39 SER HA . 30983 1 281 . 1 . 1 39 39 SER HB2 H 1 3.986 0.000 . 1 . . . . A 39 SER HB2 . 30983 1 282 . 1 . 1 39 39 SER HB3 H 1 3.986 0.000 . 1 . . . . A 39 SER HB3 . 30983 1 283 . 1 . 1 40 40 GLN H H 1 7.743 0.000 . 1 . . . . A 40 GLN H . 30983 1 284 . 1 . 1 40 40 GLN HA H 1 4.731 0.001 . 1 . . . . A 40 GLN HA . 30983 1 285 . 1 . 1 40 40 GLN HB2 H 1 1.917 0.000 . 2 . . . . A 40 GLN HB2 . 30983 1 286 . 1 . 1 40 40 GLN HB3 H 1 2.593 0.000 . 2 . . . . A 40 GLN HB3 . 30983 1 287 . 1 . 1 40 40 GLN HG2 H 1 2.323 0.000 . 2 . . . . A 40 GLN HG2 . 30983 1 288 . 1 . 1 40 40 GLN HG3 H 1 2.426 0.000 . 2 . . . . A 40 GLN HG3 . 30983 1 289 . 1 . 1 40 40 GLN HE21 H 1 6.920 0.000 . 2 . . . . A 40 GLN HE21 . 30983 1 290 . 1 . 1 40 40 GLN HE22 H 1 7.755 0.000 . 2 . . . . A 40 GLN HE22 . 30983 1 291 . 1 . 1 41 41 SER H H 1 7.649 0.000 . 1 . . . . A 41 SER H . 30983 1 292 . 1 . 1 41 41 SER HA H 1 3.769 0.001 . 1 . . . . A 41 SER HA . 30983 1 293 . 1 . 1 41 41 SER HB2 H 1 3.878 0.000 . 1 . . . . A 41 SER HB2 . 30983 1 294 . 1 . 1 41 41 SER HB3 H 1 3.878 0.000 . 1 . . . . A 41 SER HB3 . 30983 1 295 . 1 . 1 42 42 ALA H H 1 8.389 0.000 . 1 . . . . A 42 ALA H . 30983 1 296 . 1 . 1 42 42 ALA HA H 1 4.095 0.000 . 1 . . . . A 42 ALA HA . 30983 1 297 . 1 . 1 42 42 ALA HB1 H 1 1.389 0.002 . 1 . . . . A 42 ALA HB1 . 30983 1 298 . 1 . 1 42 42 ALA HB2 H 1 1.389 0.002 . 1 . . . . A 42 ALA HB2 . 30983 1 299 . 1 . 1 42 42 ALA HB3 H 1 1.389 0.002 . 1 . . . . A 42 ALA HB3 . 30983 1 300 . 1 . 1 43 43 B3X H H 1 7.626 0.000 . 1 . . . . A 43 B3X H . 30983 1 301 . 1 . 1 43 43 B3X HA1 H 1 2.484 0.000 . 2 . . . . A 43 B3X HA1 . 30983 1 302 . 1 . 1 43 43 B3X HA2 H 1 2.621 0.000 . 2 . . . . A 43 B3X HA2 . 30983 1 303 . 1 . 1 43 43 B3X HB H 1 4.704 0.001 . 1 . . . . A 43 B3X HB . 30983 1 304 . 1 . 1 43 43 B3X HE21 H 1 7.039 0.000 . 2 . . . . A 43 B3X HE21 . 30983 1 305 . 1 . 1 43 43 B3X HE22 H 1 7.720 0.000 . 2 . . . . A 43 B3X HE22 . 30983 1 306 . 1 . 1 43 43 B3X HG2 H 1 2.491 0.000 . 2 . . . . A 43 B3X HG2 . 30983 1 307 . 1 . 1 43 43 B3X HG3 H 1 2.552 0.000 . 2 . . . . A 43 B3X HG3 . 30983 1 308 . 1 . 1 44 44 LEU H H 1 8.526 0.000 . 1 . . . . A 44 LEU H . 30983 1 309 . 1 . 1 44 44 LEU HA H 1 4.140 0.000 . 1 . . . . A 44 LEU HA . 30983 1 310 . 1 . 1 44 44 LEU HB2 H 1 1.346 0.000 . 2 . . . . A 44 LEU HB2 . 30983 1 311 . 1 . 1 44 44 LEU HB3 H 1 1.980 0.000 . 2 . . . . A 44 LEU HB3 . 30983 1 312 . 1 . 1 44 44 LEU HG H 1 1.831 0.002 . 1 . . . . A 44 LEU HG . 30983 1 313 . 1 . 1 44 44 LEU HD11 H 1 0.838 0.000 . 2 . . . . A 44 LEU HD11 . 30983 1 314 . 1 . 1 44 44 LEU HD12 H 1 0.838 0.000 . 2 . . . . A 44 LEU HD12 . 30983 1 315 . 1 . 1 44 44 LEU HD13 H 1 0.838 0.000 . 2 . . . . A 44 LEU HD13 . 30983 1 316 . 1 . 1 44 44 LEU HD21 H 1 1.051 0.000 . 2 . . . . A 44 LEU HD21 . 30983 1 317 . 1 . 1 44 44 LEU HD22 H 1 1.051 0.000 . 2 . . . . A 44 LEU HD22 . 30983 1 318 . 1 . 1 44 44 LEU HD23 H 1 1.051 0.000 . 2 . . . . A 44 LEU HD23 . 30983 1 319 . 1 . 1 45 45 LEU H H 1 8.505 0.000 . 1 . . . . A 45 LEU H . 30983 1 320 . 1 . 1 45 45 LEU HA H 1 3.894 0.001 . 1 . . . . A 45 LEU HA . 30983 1 321 . 1 . 1 45 45 LEU HB2 H 1 1.545 0.000 . 2 . . . . A 45 LEU HB2 . 30983 1 322 . 1 . 1 45 45 LEU HB3 H 1 1.993 0.000 . 2 . . . . A 45 LEU HB3 . 30983 1 323 . 1 . 1 45 45 LEU HG H 1 1.550 0.000 . 1 . . . . A 45 LEU HG . 30983 1 324 . 1 . 1 45 45 LEU HD11 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD11 . 30983 1 325 . 1 . 1 45 45 LEU HD12 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD12 . 30983 1 326 . 1 . 1 45 45 LEU HD13 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD13 . 30983 1 327 . 1 . 1 45 45 LEU HD21 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD21 . 30983 1 328 . 1 . 1 45 45 LEU HD22 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD22 . 30983 1 329 . 1 . 1 45 45 LEU HD23 H 1 0.905 0.000 . 1 . . . . A 45 LEU HD23 . 30983 1 330 . 1 . 1 46 46 ALA H H 1 7.427 0.000 . 1 . . . . A 46 ALA H . 30983 1 331 . 1 . 1 46 46 ALA HA H 1 4.005 0.001 . 1 . . . . A 46 ALA HA . 30983 1 332 . 1 . 1 46 46 ALA HB1 H 1 1.579 0.000 . 1 . . . . A 46 ALA HB1 . 30983 1 333 . 1 . 1 46 46 ALA HB2 H 1 1.579 0.000 . 1 . . . . A 46 ALA HB2 . 30983 1 334 . 1 . 1 46 46 ALA HB3 H 1 1.579 0.000 . 1 . . . . A 46 ALA HB3 . 30983 1 335 . 1 . 1 47 47 B3E H H 1 7.640 0.000 . 1 . . . . A 47 B3E H . 30983 1 336 . 1 . 1 47 47 B3E HA1 H 1 2.498 0.002 . 2 . . . . A 47 B3E HA1 . 30983 1 337 . 1 . 1 47 47 B3E HA2 H 1 2.815 0.002 . 2 . . . . A 47 B3E HA2 . 30983 1 338 . 1 . 1 47 47 B3E HB H 1 4.166 0.000 . 1 . . . . A 47 B3E HB . 30983 1 339 . 1 . 1 47 47 B3E HD2 H 1 2.296 0.000 . 2 . . . . A 47 B3E HD2 . 30983 1 340 . 1 . 1 47 47 B3E HD3 H 1 2.346 0.000 . 2 . . . . A 47 B3E HD3 . 30983 1 341 . 1 . 1 47 47 B3E HG2 H 1 1.930 0.000 . 2 . . . . A 47 B3E HG2 . 30983 1 342 . 1 . 1 47 47 B3E HG3 H 1 2.061 0.000 . 2 . . . . A 47 B3E HG3 . 30983 1 343 . 1 . 1 48 48 ALA H H 1 8.595 0.000 . 1 . . . . A 48 ALA H . 30983 1 344 . 1 . 1 48 48 ALA HA H 1 3.390 0.003 . 1 . . . . A 48 ALA HA . 30983 1 345 . 1 . 1 48 48 ALA HB1 H 1 0.603 0.000 . 1 . . . . A 48 ALA HB1 . 30983 1 346 . 1 . 1 48 48 ALA HB2 H 1 0.603 0.000 . 1 . . . . A 48 ALA HB2 . 30983 1 347 . 1 . 1 48 48 ALA HB3 H 1 0.603 0.000 . 1 . . . . A 48 ALA HB3 . 30983 1 348 . 1 . 1 49 49 LYS H H 1 8.503 0.000 . 1 . . . . A 49 LYS H . 30983 1 349 . 1 . 1 49 49 LYS HA H 1 3.739 0.000 . 1 . . . . A 49 LYS HA . 30983 1 350 . 1 . 1 49 49 LYS HB2 H 1 1.827 0.000 . 1 . . . . A 49 LYS HB2 . 30983 1 351 . 1 . 1 49 49 LYS HB3 H 1 1.827 0.000 . 1 . . . . A 49 LYS HB3 . 30983 1 352 . 1 . 1 49 49 LYS HG2 H 1 1.331 0.002 . 1 . . . . A 49 LYS HG2 . 30983 1 353 . 1 . 1 49 49 LYS HG3 H 1 1.331 0.002 . 1 . . . . A 49 LYS HG3 . 30983 1 354 . 1 . 1 49 49 LYS HD2 H 1 1.900 0.000 . 1 . . . . A 49 LYS HD2 . 30983 1 355 . 1 . 1 49 49 LYS HD3 H 1 1.900 0.000 . 1 . . . . A 49 LYS HD3 . 30983 1 356 . 1 . 1 49 49 LYS HE2 H 1 2.819 0.001 . 2 . . . . A 49 LYS HE2 . 30983 1 357 . 1 . 1 49 49 LYS HE3 H 1 2.964 0.001 . 2 . . . . A 49 LYS HE3 . 30983 1 358 . 1 . 1 50 50 B3K H H 1 7.089 0.000 . 1 . . . . A 50 B3K H . 30983 1 359 . 1 . 1 50 50 B3K HA1 H 1 2.342 0.000 . 2 . . . . A 50 B3K HA1 . 30983 1 360 . 1 . 1 50 50 B3K HA2 H 1 2.427 0.000 . 2 . . . . A 50 B3K HA2 . 30983 1 361 . 1 . 1 50 50 B3K HB H 1 4.218 0.001 . 1 . . . . A 50 B3K HB . 30983 1 362 . 1 . 1 50 50 B3K HG2 H 1 1.649 0.000 . 2 . . . . A 50 B3K HG2 . 30983 1 363 . 1 . 1 50 50 B3K HG3 H 1 1.726 0.000 . 2 . . . . A 50 B3K HG3 . 30983 1 364 . 1 . 1 50 50 B3K HD2 H 1 1.486 0.002 . 1 . . . . A 50 B3K QD . 30983 1 365 . 1 . 1 50 50 B3K HD3 H 1 1.486 0.002 . 1 . . . . A 50 B3K QD . 30983 1 366 . 1 . 1 50 50 B3K HE2 H 1 1.682 0.000 . 1 . . . . A 50 B3K QE . 30983 1 367 . 1 . 1 50 50 B3K HE3 H 1 1.682 0.000 . 1 . . . . A 50 B3K QE . 30983 1 368 . 1 . 1 50 50 B3K HF1 H 1 2.974 0.001 . 1 . . . . A 50 B3K QF . 30983 1 369 . 1 . 1 50 50 B3K HF2 H 1 2.974 0.001 . 1 . . . . A 50 B3K QF . 30983 1 370 . 1 . 1 51 51 LEU H H 1 7.951 0.000 . 1 . . . . A 51 LEU H . 30983 1 371 . 1 . 1 51 51 LEU HA H 1 4.071 0.002 . 1 . . . . A 51 LEU HA . 30983 1 372 . 1 . 1 51 51 LEU HB2 H 1 1.593 0.000 . 2 . . . . A 51 LEU HB2 . 30983 1 373 . 1 . 1 51 51 LEU HB3 H 1 1.774 0.000 . 2 . . . . A 51 LEU HB3 . 30983 1 374 . 1 . 1 51 51 LEU HG H 1 1.706 0.003 . 1 . . . . A 51 LEU HG . 30983 1 375 . 1 . 1 51 51 LEU HD11 H 1 0.978 0.000 . 2 . . . . A 51 LEU HD11 . 30983 1 376 . 1 . 1 51 51 LEU HD12 H 1 0.978 0.000 . 2 . . . . A 51 LEU HD12 . 30983 1 377 . 1 . 1 51 51 LEU HD13 H 1 0.978 0.000 . 2 . . . . A 51 LEU HD13 . 30983 1 378 . 1 . 1 51 51 LEU HD21 H 1 1.025 0.000 . 2 . . . . A 51 LEU HD21 . 30983 1 379 . 1 . 1 51 51 LEU HD22 H 1 1.025 0.000 . 2 . . . . A 51 LEU HD22 . 30983 1 380 . 1 . 1 51 51 LEU HD23 H 1 1.025 0.000 . 2 . . . . A 51 LEU HD23 . 30983 1 381 . 1 . 1 52 52 ASN H H 1 8.915 0.000 . 1 . . . . A 52 ASN H . 30983 1 382 . 1 . 1 52 52 ASN HA H 1 4.127 0.000 . 1 . . . . A 52 ASN HA . 30983 1 383 . 1 . 1 52 52 ASN HB2 H 1 2.411 0.000 . 2 . . . . A 52 ASN HB2 . 30983 1 384 . 1 . 1 52 52 ASN HB3 H 1 3.219 0.001 . 2 . . . . A 52 ASN HB3 . 30983 1 385 . 1 . 1 52 52 ASN HD21 H 1 6.716 0.000 . 2 . . . . A 52 ASN HD21 . 30983 1 386 . 1 . 1 52 52 ASN HD22 H 1 7.978 0.000 . 2 . . . . A 52 ASN HD22 . 30983 1 387 . 1 . 1 53 53 ASP H H 1 7.955 0.000 . 1 . . . . A 53 ASP H . 30983 1 388 . 1 . 1 53 53 ASP HA H 1 4.599 0.000 . 1 . . . . A 53 ASP HA . 30983 1 389 . 1 . 1 53 53 ASP HB2 H 1 2.670 0.001 . 2 . . . . A 53 ASP HB2 . 30983 1 390 . 1 . 1 53 53 ASP HB3 H 1 2.818 0.001 . 2 . . . . A 53 ASP HB3 . 30983 1 391 . 1 . 1 54 54 B3A H H 1 7.512 0.001 . 1 . . . . A 54 B3A H . 30983 1 392 . 1 . 1 54 54 B3A HA1 H 1 2.421 0.000 . 2 . . . . A 54 B3A HA1 . 30983 1 393 . 1 . 1 54 54 B3A HA2 H 1 2.688 0.000 . 2 . . . . A 54 B3A HA2 . 30983 1 394 . 1 . 1 54 54 B3A HB H 1 4.245 0.001 . 1 . . . . A 54 B3A HB . 30983 1 395 . 1 . 1 54 54 B3A HG1 H 1 1.276 0.001 . 1 . . . . A 54 B3A QG . 30983 1 396 . 1 . 1 54 54 B3A HG2 H 1 1.276 0.001 . 1 . . . . A 54 B3A QG . 30983 1 397 . 1 . 1 54 54 B3A HG3 H 1 1.276 0.001 . 1 . . . . A 54 B3A QG . 30983 1 398 . 1 . 1 55 55 GLN H H 1 8.441 0.001 . 1 . . . . A 55 GLN H . 30983 1 399 . 1 . 1 55 55 GLN HA H 1 4.302 0.001 . 1 . . . . A 55 GLN HA . 30983 1 400 . 1 . 1 55 55 GLN HB2 H 1 1.940 0.001 . 2 . . . . A 55 GLN HB2 . 30983 1 401 . 1 . 1 55 55 GLN HB3 H 1 2.057 0.000 . 2 . . . . A 55 GLN HB3 . 30983 1 402 . 1 . 1 55 55 GLN HG2 H 1 2.376 0.003 . 2 . . . . A 55 GLN HG2 . 30983 1 403 . 1 . 1 55 55 GLN HG3 H 1 2.435 0.000 . 2 . . . . A 55 GLN HG3 . 30983 1 404 . 1 . 1 56 56 ALA H H 1 8.001 0.000 . 1 . . . . A 56 ALA H . 30983 1 405 . 1 . 1 56 56 ALA HA H 1 4.549 0.000 . 1 . . . . A 56 ALA HA . 30983 1 406 . 1 . 1 56 56 ALA HB1 H 1 1.399 0.002 . 1 . . . . A 56 ALA HB1 . 30983 1 407 . 1 . 1 56 56 ALA HB2 H 1 1.399 0.002 . 1 . . . . A 56 ALA HB2 . 30983 1 408 . 1 . 1 56 56 ALA HB3 H 1 1.399 0.002 . 1 . . . . A 56 ALA HB3 . 30983 1 409 . 1 . 1 57 57 PRO HA H 1 4.443 0.000 . 1 . . . . A 57 PRO HA . 30983 1 410 . 1 . 1 57 57 PRO HB2 H 1 1.925 0.000 . 2 . . . . A 57 PRO HB2 . 30983 1 411 . 1 . 1 57 57 PRO HB3 H 1 2.335 0.000 . 2 . . . . A 57 PRO HB3 . 30983 1 412 . 1 . 1 57 57 PRO HG2 H 1 2.066 0.000 . 1 . . . . A 57 PRO HG2 . 30983 1 413 . 1 . 1 57 57 PRO HG3 H 1 2.066 0.000 . 1 . . . . A 57 PRO HG3 . 30983 1 414 . 1 . 1 57 57 PRO HD2 H 1 3.660 0.002 . 2 . . . . A 57 PRO HD2 . 30983 1 415 . 1 . 1 57 57 PRO HD3 H 1 3.837 0.002 . 2 . . . . A 57 PRO HD3 . 30983 1 416 . 1 . 1 58 58 LYS H H 1 8.616 0.001 . 1 . . . . A 58 LYS H . 30983 1 417 . 1 . 1 58 58 LYS HA H 1 4.273 0.001 . 1 . . . . A 58 LYS HA . 30983 1 418 . 1 . 1 58 58 LYS HB2 H 1 1.793 0.000 . 2 . . . . A 58 LYS HB2 . 30983 1 419 . 1 . 1 58 58 LYS HB3 H 1 1.865 0.003 . 2 . . . . A 58 LYS HB3 . 30983 1 420 . 1 . 1 58 58 LYS HG2 H 1 1.480 0.002 . 2 . . . . A 58 LYS HG2 . 30983 1 421 . 1 . 1 58 58 LYS HG3 H 1 1.531 0.003 . 2 . . . . A 58 LYS HG3 . 30983 1 422 . 1 . 1 58 58 LYS HD2 H 1 1.706 0.000 . 1 . . . . A 58 LYS HD2 . 30983 1 423 . 1 . 1 58 58 LYS HD3 H 1 1.706 0.000 . 1 . . . . A 58 LYS HD3 . 30983 1 424 . 1 . 1 58 58 LYS HE2 H 1 3.027 0.003 . 1 . . . . A 58 LYS HE2 . 30983 1 425 . 1 . 1 58 58 LYS HE3 H 1 3.027 0.003 . 1 . . . . A 58 LYS HE3 . 30983 1 426 . 1 . 1 59 59 NH2 HN1 H 1 7.219 0.000 . 2 . . . . A 59 NH2 HN1 . 30983 1 427 . 1 . 1 59 59 NH2 HN2 H 1 7.706 0.000 . 2 . . . . A 59 NH2 HN2 . 30983 1 stop_ save_