################################### # 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 31012 _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' . . . 31012 1 2 '2D 1H-1H NOESY' . . . 31012 1 3 '2D 1H-1H COSY' . . . 31012 1 4 '2D DQF-COSY' . . . 31012 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 4.093 0.000 . 1 . . . . A 1 ALA HA . 31012 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.525 0.000 . 1 . . . . A 1 ALA HB1 . 31012 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.525 0.000 . 1 . . . . A 1 ALA HB2 . 31012 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.525 0.000 . 1 . . . . A 1 ALA HB3 . 31012 1 5 . 1 . 1 2 2 ASP H H 1 8.789 0.000 . 1 . . . . A 2 ASP H . 31012 1 6 . 1 . 1 2 2 ASP HA H 1 4.639 0.000 . 1 . . . . A 2 ASP HA . 31012 1 7 . 1 . 1 2 2 ASP HB2 H 1 2.709 0.000 . 2 . . . . A 2 ASP HB2 . 31012 1 8 . 1 . 1 2 2 ASP HB3 H 1 2.593 0.000 . 2 . . . . A 2 ASP HB3 . 31012 1 9 . 1 . 1 3 3 ASN H H 1 8.599 0.000 . 1 . . . . A 3 ASN H . 31012 1 10 . 1 . 1 3 3 ASN HA H 1 4.633 0.000 . 1 . . . . A 3 ASN HA . 31012 1 11 . 1 . 1 3 3 ASN HB2 H 1 2.686 0.000 . 1 . . . . A 3 ASN HB2 . 31012 1 12 . 1 . 1 3 3 ASN HB3 H 1 2.686 0.000 . 1 . . . . A 3 ASN HB3 . 31012 1 13 . 1 . 1 3 3 ASN HD21 H 1 6.973 0.000 . 2 . . . . A 3 ASN HD21 . 31012 1 14 . 1 . 1 3 3 ASN HD22 H 1 7.662 0.000 . 2 . . . . A 3 ASN HD22 . 31012 1 15 . 1 . 1 4 4 LYS H H 1 8.436 0.002 . 1 . . . . A 4 LYS H . 31012 1 16 . 1 . 1 4 4 LYS HA H 1 4.189 0.002 . 1 . . . . A 4 LYS HA . 31012 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.712 0.000 . 2 . . . . A 4 LYS HB2 . 31012 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.686 0.000 . 2 . . . . A 4 LYS HB3 . 31012 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.277 0.005 . 1 . . . . A 4 LYS HG2 . 31012 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.277 0.005 . 1 . . . . A 4 LYS HG3 . 31012 1 21 . 1 . 1 4 4 LYS HD2 H 1 1.646 0.000 . 1 . . . . A 4 LYS HD2 . 31012 1 22 . 1 . 1 4 4 LYS HD3 H 1 1.646 0.000 . 1 . . . . A 4 LYS HD3 . 31012 1 23 . 1 . 1 4 4 LYS HE2 H 1 2.951 0.002 . 1 . . . . A 4 LYS HE2 . 31012 1 24 . 1 . 1 4 4 LYS HE3 H 1 2.951 0.002 . 1 . . . . A 4 LYS HE3 . 31012 1 25 . 1 . 1 4 4 LYS HZ1 H 1 7.597 0.000 . 1 . . . . A 4 LYS HZ1 . 31012 1 26 . 1 . 1 4 4 LYS HZ2 H 1 7.597 0.000 . 1 . . . . A 4 LYS HZ2 . 31012 1 27 . 1 . 1 4 4 LYS HZ3 H 1 7.597 0.000 . 1 . . . . A 4 LYS HZ3 . 31012 1 28 . 1 . 1 5 5 PHE H H 1 8.327 0.001 . 1 . . . . A 5 PHE H . 31012 1 29 . 1 . 1 5 5 PHE HA H 1 4.899 0.000 . 1 . . . . A 5 PHE HA . 31012 1 30 . 1 . 1 5 5 PHE HB2 H 1 3.314 0.001 . 2 . . . . A 5 PHE HB2 . 31012 1 31 . 1 . 1 5 5 PHE HB3 H 1 3.025 0.000 . 2 . . . . A 5 PHE HB3 . 31012 1 32 . 1 . 1 5 5 PHE HD1 H 1 7.182 0.000 . 1 . . . . A 5 PHE HD1 . 31012 1 33 . 1 . 1 5 5 PHE HD2 H 1 7.182 0.000 . 1 . . . . A 5 PHE HD2 . 31012 1 34 . 1 . 1 5 5 PHE HE1 H 1 7.146 0.000 . 1 . . . . A 5 PHE HE1 . 31012 1 35 . 1 . 1 5 5 PHE HE2 H 1 7.146 0.000 . 1 . . . . A 5 PHE HE2 . 31012 1 36 . 1 . 1 6 6 ASN H H 1 8.404 0.000 . 1 . . . . A 6 ASN H . 31012 1 37 . 1 . 1 6 6 ASN HA H 1 4.694 0.001 . 1 . . . . A 6 ASN HA . 31012 1 38 . 1 . 1 6 6 ASN HB2 H 1 3.164 0.000 . 2 . . . . A 6 ASN HB2 . 31012 1 39 . 1 . 1 6 6 ASN HB3 H 1 2.923 0.000 . 2 . . . . A 6 ASN HB3 . 31012 1 40 . 1 . 1 6 6 ASN HD21 H 1 7.011 0.000 . 2 . . . . A 6 ASN HD21 . 31012 1 41 . 1 . 1 6 6 ASN HD22 H 1 7.656 0.000 . 2 . . . . A 6 ASN HD22 . 31012 1 42 . 1 . 1 7 7 LYS H H 1 8.483 0.000 . 1 . . . . A 7 LYS H . 31012 1 43 . 1 . 1 7 7 LYS HA H 1 4.004 0.001 . 1 . . . . A 7 LYS HA . 31012 1 44 . 1 . 1 7 7 LYS HB2 H 1 1.880 0.000 . 2 . . . . A 7 LYS HB2 . 31012 1 45 . 1 . 1 7 7 LYS HB3 H 1 1.834 0.000 . 2 . . . . A 7 LYS HB3 . 31012 1 46 . 1 . 1 7 7 LYS HG2 H 1 1.524 0.000 . 2 . . . . A 7 LYS HG2 . 31012 1 47 . 1 . 1 7 7 LYS HG3 H 1 1.436 0.000 . 2 . . . . A 7 LYS HG3 . 31012 1 48 . 1 . 1 7 7 LYS HD2 H 1 1.720 0.000 . 1 . . . . A 7 LYS HD2 . 31012 1 49 . 1 . 1 7 7 LYS HD3 H 1 1.720 0.000 . 1 . . . . A 7 LYS HD3 . 31012 1 50 . 1 . 1 7 7 LYS HE2 H 1 3.016 0.000 . 1 . . . . A 7 LYS HE2 . 31012 1 51 . 1 . 1 7 7 LYS HE3 H 1 3.016 0.000 . 1 . . . . A 7 LYS HE3 . 31012 1 52 . 1 . 1 7 7 LYS HZ1 H 1 7.620 0.000 . 1 . . . . A 7 LYS HZ1 . 31012 1 53 . 1 . 1 7 7 LYS HZ2 H 1 7.620 0.000 . 1 . . . . A 7 LYS HZ2 . 31012 1 54 . 1 . 1 7 7 LYS HZ3 H 1 7.620 0.000 . 1 . . . . A 7 LYS HZ3 . 31012 1 55 . 1 . 1 8 8 GLU H H 1 8.410 0.000 . 1 . . . . A 8 GLU H . 31012 1 56 . 1 . 1 8 8 GLU HA H 1 4.125 0.001 . 1 . . . . A 8 GLU HA . 31012 1 57 . 1 . 1 8 8 GLU HB2 H 1 2.150 0.000 . 2 . . . . A 8 GLU HB2 . 31012 1 58 . 1 . 1 8 8 GLU HB3 H 1 2.075 0.000 . 2 . . . . A 8 GLU HB3 . 31012 1 59 . 1 . 1 8 8 GLU HG2 H 1 2.379 0.000 . 1 . . . . A 8 GLU HG2 . 31012 1 60 . 1 . 1 8 8 GLU HG3 H 1 2.379 0.000 . 1 . . . . A 8 GLU HG3 . 31012 1 61 . 1 . 1 9 9 GLN H H 1 8.559 0.000 . 1 . . . . A 9 GLN H . 31012 1 62 . 1 . 1 9 9 GLN HA H 1 3.969 0.001 . 1 . . . . A 9 GLN HA . 31012 1 63 . 1 . 1 9 9 GLN HB2 H 1 2.394 0.000 . 2 . . . . A 9 GLN HB2 . 31012 1 64 . 1 . 1 9 9 GLN HB3 H 1 2.112 0.000 . 2 . . . . A 9 GLN HB3 . 31012 1 65 . 1 . 1 9 9 GLN HG2 H 1 2.483 0.000 . 1 . . . . A 9 GLN HG2 . 31012 1 66 . 1 . 1 9 9 GLN HG3 H 1 2.483 0.000 . 1 . . . . A 9 GLN HG3 . 31012 1 67 . 1 . 1 9 9 GLN HE21 H 1 7.113 0.000 . 2 . . . . A 9 GLN HE21 . 31012 1 68 . 1 . 1 9 9 GLN HE22 H 1 7.523 0.000 . 2 . . . . A 9 GLN HE22 . 31012 1 69 . 1 . 1 10 10 GLN H H 1 8.563 0.000 . 1 . . . . A 10 GLN H . 31012 1 70 . 1 . 1 10 10 GLN HA H 1 4.057 0.002 . 1 . . . . A 10 GLN HA . 31012 1 71 . 1 . 1 10 10 GLN HB2 H 1 2.202 0.001 . 1 . . . . A 10 GLN HB2 . 31012 1 72 . 1 . 1 10 10 GLN HB3 H 1 2.202 0.001 . 1 . . . . A 10 GLN HB3 . 31012 1 73 . 1 . 1 10 10 GLN HG2 H 1 2.458 0.001 . 1 . . . . A 10 GLN HG2 . 31012 1 74 . 1 . 1 10 10 GLN HG3 H 1 2.458 0.001 . 1 . . . . A 10 GLN HG3 . 31012 1 75 . 1 . 1 10 10 GLN HE21 H 1 6.957 0.000 . 2 . . . . A 10 GLN HE21 . 31012 1 76 . 1 . 1 10 10 GLN HE22 H 1 7.415 0.000 . 2 . . . . A 10 GLN HE22 . 31012 1 77 . 1 . 1 11 11 ASN H H 1 8.393 0.000 . 1 . . . . A 11 ASN H . 31012 1 78 . 1 . 1 11 11 ASN HA H 1 4.638 0.001 . 1 . . . . A 11 ASN HA . 31012 1 79 . 1 . 1 11 11 ASN HB2 H 1 2.910 0.000 . 1 . . . . A 11 ASN HB2 . 31012 1 80 . 1 . 1 11 11 ASN HB3 H 1 2.910 0.000 . 1 . . . . A 11 ASN HB3 . 31012 1 81 . 1 . 1 11 11 ASN HD21 H 1 7.141 0.000 . 2 . . . . A 11 ASN HD21 . 31012 1 82 . 1 . 1 11 11 ASN HD22 H 1 7.864 0.000 . 2 . . . . A 11 ASN HD22 . 31012 1 83 . 1 . 1 12 12 ALA H H 1 8.102 0.000 . 1 . . . . A 12 ALA H . 31012 1 84 . 1 . 1 12 12 ALA HA H 1 4.104 0.000 . 1 . . . . A 12 ALA HA . 31012 1 85 . 1 . 1 12 12 ALA HB1 H 1 1.501 0.000 . 1 . . . . A 12 ALA HB1 . 31012 1 86 . 1 . 1 12 12 ALA HB2 H 1 1.501 0.000 . 1 . . . . A 12 ALA HB2 . 31012 1 87 . 1 . 1 12 12 ALA HB3 H 1 1.501 0.000 . 1 . . . . A 12 ALA HB3 . 31012 1 88 . 1 . 1 13 13 PHE H H 1 8.346 0.000 . 1 . . . . A 13 PHE H . 31012 1 89 . 1 . 1 13 13 PHE HA H 1 3.910 0.001 . 1 . . . . A 13 PHE HA . 31012 1 90 . 1 . 1 13 13 PHE HB2 H 1 3.326 0.001 . 2 . . . . A 13 PHE HB2 . 31012 1 91 . 1 . 1 13 13 PHE HB3 H 1 3.095 0.003 . 2 . . . . A 13 PHE HB3 . 31012 1 92 . 1 . 1 13 13 PHE HD1 H 1 7.072 0.000 . 1 . . . . A 13 PHE HD1 . 31012 1 93 . 1 . 1 13 13 PHE HD2 H 1 7.072 0.000 . 1 . . . . A 13 PHE HD2 . 31012 1 94 . 1 . 1 13 13 PHE HE1 H 1 7.363 0.000 . 1 . . . . A 13 PHE HE1 . 31012 1 95 . 1 . 1 13 13 PHE HE2 H 1 7.363 0.000 . 1 . . . . A 13 PHE HE2 . 31012 1 96 . 1 . 1 14 14 TYR H H 1 8.208 0.000 . 1 . . . . A 14 TYR H . 31012 1 97 . 1 . 1 14 14 TYR HA H 1 3.830 0.002 . 1 . . . . A 14 TYR HA . 31012 1 98 . 1 . 1 14 14 TYR HB2 H 1 3.204 0.000 . 1 . . . . A 14 TYR HB2 . 31012 1 99 . 1 . 1 14 14 TYR HB3 H 1 3.204 0.000 . 1 . . . . A 14 TYR HB3 . 31012 1 100 . 1 . 1 14 14 TYR HD1 H 1 7.142 0.000 . 1 . . . . A 14 TYR HD1 . 31012 1 101 . 1 . 1 14 14 TYR HD2 H 1 7.142 0.000 . 1 . . . . A 14 TYR HD2 . 31012 1 102 . 1 . 1 14 14 TYR HE1 H 1 6.744 0.000 . 1 . . . . A 14 TYR HE1 . 31012 1 103 . 1 . 1 14 14 TYR HE2 H 1 6.744 0.000 . 1 . . . . A 14 TYR HE2 . 31012 1 104 . 1 . 1 15 15 GLU H H 1 8.509 0.000 . 1 . . . . A 15 GLU H . 31012 1 105 . 1 . 1 15 15 GLU HA H 1 4.015 0.000 . 1 . . . . A 15 GLU HA . 31012 1 106 . 1 . 1 15 15 GLU HB2 H 1 2.143 0.000 . 2 . . . . A 15 GLU HB2 . 31012 1 107 . 1 . 1 15 15 GLU HB3 H 1 2.003 0.000 . 2 . . . . A 15 GLU HB3 . 31012 1 108 . 1 . 1 15 15 GLU HG2 H 1 2.529 0.000 . 2 . . . . A 15 GLU HG2 . 31012 1 109 . 1 . 1 15 15 GLU HG3 H 1 2.246 0.000 . 2 . . . . A 15 GLU HG3 . 31012 1 110 . 1 . 1 16 16 ILE H H 1 8.619 0.000 . 1 . . . . A 16 ILE H . 31012 1 111 . 1 . 1 16 16 ILE HA H 1 3.388 0.003 . 1 . . . . A 16 ILE HA . 31012 1 112 . 1 . 1 16 16 ILE HB H 1 1.745 0.002 . 1 . . . . A 16 ILE HB . 31012 1 113 . 1 . 1 16 16 ILE HG12 H 1 1.921 0.001 . 1 . . . . A 16 ILE HG12 . 31012 1 114 . 1 . 1 16 16 ILE HG13 H 1 1.921 0.001 . 1 . . . . A 16 ILE HG13 . 31012 1 115 . 1 . 1 16 16 ILE HG21 H 1 0.716 0.002 . 1 . . . . A 16 ILE HG21 . 31012 1 116 . 1 . 1 16 16 ILE HG22 H 1 0.716 0.002 . 1 . . . . A 16 ILE HG22 . 31012 1 117 . 1 . 1 16 16 ILE HG23 H 1 0.716 0.002 . 1 . . . . A 16 ILE HG23 . 31012 1 118 . 1 . 1 16 16 ILE HD11 H 1 0.574 0.000 . 1 . . . . A 16 ILE HD11 . 31012 1 119 . 1 . 1 16 16 ILE HD12 H 1 0.574 0.000 . 1 . . . . A 16 ILE HD12 . 31012 1 120 . 1 . 1 16 16 ILE HD13 H 1 0.574 0.000 . 1 . . . . A 16 ILE HD13 . 31012 1 121 . 1 . 1 17 17 LEU H H 1 8.157 0.000 . 1 . . . . A 17 LEU H . 31012 1 122 . 1 . 1 17 17 LEU HA H 1 3.665 0.002 . 1 . . . . A 17 LEU HA . 31012 1 123 . 1 . 1 17 17 LEU HB2 H 1 1.326 0.003 . 2 . . . . A 17 LEU HB2 . 31012 1 124 . 1 . 1 17 17 LEU HB3 H 1 1.081 0.000 . 2 . . . . A 17 LEU HB3 . 31012 1 125 . 1 . 1 17 17 LEU HG H 1 1.120 0.003 . 1 . . . . A 17 LEU HG . 31012 1 126 . 1 . 1 17 17 LEU HD11 H 1 0.509 0.001 . 2 . . . . A 17 LEU HD11 . 31012 1 127 . 1 . 1 17 17 LEU HD12 H 1 0.509 0.001 . 2 . . . . A 17 LEU HD12 . 31012 1 128 . 1 . 1 17 17 LEU HD13 H 1 0.509 0.001 . 2 . . . . A 17 LEU HD13 . 31012 1 129 . 1 . 1 17 17 LEU HD21 H 1 0.627 0.002 . 2 . . . . A 17 LEU HD21 . 31012 1 130 . 1 . 1 17 17 LEU HD22 H 1 0.627 0.002 . 2 . . . . A 17 LEU HD22 . 31012 1 131 . 1 . 1 17 17 LEU HD23 H 1 0.627 0.002 . 2 . . . . A 17 LEU HD23 . 31012 1 132 . 1 . 1 18 18 HIS H H 1 7.115 0.000 . 1 . . . . A 18 HIS H . 31012 1 133 . 1 . 1 18 18 HIS HA H 1 4.470 0.001 . 1 . . . . A 18 HIS HA . 31012 1 134 . 1 . 1 18 18 HIS HB2 H 1 3.450 0.001 . 2 . . . . A 18 HIS HB2 . 31012 1 135 . 1 . 1 18 18 HIS HB3 H 1 2.784 0.000 . 2 . . . . A 18 HIS HB3 . 31012 1 136 . 1 . 1 18 18 HIS HD2 H 1 7.006 0.000 . 1 . . . . A 18 HIS HD2 . 31012 1 137 . 1 . 1 18 18 HIS HE1 H 1 8.297 0.000 . 1 . . . . A 18 HIS HE1 . 31012 1 138 . 1 . 1 19 19 LEU H H 1 7.163 0.000 . 1 . . . . A 19 LEU H . 31012 1 139 . 1 . 1 19 19 LEU HA H 1 4.508 0.002 . 1 . . . . A 19 LEU HA . 31012 1 140 . 1 . 1 19 19 LEU HB2 H 1 1.655 0.000 . 2 . . . . A 19 LEU HB2 . 31012 1 141 . 1 . 1 19 19 LEU HB3 H 1 1.381 0.000 . 2 . . . . A 19 LEU HB3 . 31012 1 142 . 1 . 1 19 19 LEU HG H 1 2.177 0.002 . 1 . . . . A 19 LEU HG . 31012 1 143 . 1 . 1 19 19 LEU HD11 H 1 0.666 0.000 . 2 . . . . A 19 LEU HD11 . 31012 1 144 . 1 . 1 19 19 LEU HD12 H 1 0.666 0.000 . 2 . . . . A 19 LEU HD12 . 31012 1 145 . 1 . 1 19 19 LEU HD13 H 1 0.666 0.000 . 2 . . . . A 19 LEU HD13 . 31012 1 146 . 1 . 1 19 19 LEU HD21 H 1 0.859 0.001 . 2 . . . . A 19 LEU HD21 . 31012 1 147 . 1 . 1 19 19 LEU HD22 H 1 0.859 0.001 . 2 . . . . A 19 LEU HD22 . 31012 1 148 . 1 . 1 19 19 LEU HD23 H 1 0.859 0.001 . 2 . . . . A 19 LEU HD23 . 31012 1 149 . 1 . 1 20 20 PRO HA H 1 4.431 0.000 . 1 . . . . A 20 PRO HA . 31012 1 150 . 1 . 1 20 20 PRO HB2 H 1 2.322 0.000 . 2 . . . . A 20 PRO HB2 . 31012 1 151 . 1 . 1 20 20 PRO HB3 H 1 1.965 0.000 . 2 . . . . A 20 PRO HB3 . 31012 1 152 . 1 . 1 20 20 PRO HG2 H 1 2.176 0.000 . 1 . . . . A 20 PRO HG2 . 31012 1 153 . 1 . 1 20 20 PRO HG3 H 1 2.176 0.000 . 1 . . . . A 20 PRO HG3 . 31012 1 154 . 1 . 1 20 20 PRO HD2 H 1 4.077 0.002 . 2 . . . . A 20 PRO HD2 . 31012 1 155 . 1 . 1 20 20 PRO HD3 H 1 3.815 0.002 . 2 . . . . A 20 PRO HD3 . 31012 1 156 . 1 . 1 21 21 ASN H H 1 8.976 0.001 . 1 . . . . A 21 ASN H . 31012 1 157 . 1 . 1 21 21 ASN HA H 1 4.992 0.000 . 1 . . . . A 21 ASN HA . 31012 1 158 . 1 . 1 21 21 ASN HB2 H 1 2.905 0.000 . 1 . . . . A 21 ASN HB2 . 31012 1 159 . 1 . 1 21 21 ASN HB3 H 1 2.905 0.000 . 1 . . . . A 21 ASN HB3 . 31012 1 160 . 1 . 1 21 21 ASN HD21 H 1 7.024 0.000 . 2 . . . . A 21 ASN HD21 . 31012 1 161 . 1 . 1 21 21 ASN HD22 H 1 7.716 0.000 . 2 . . . . A 21 ASN HD22 . 31012 1 162 . 1 . 1 22 22 LEU H H 1 6.517 0.000 . 1 . . . . A 22 LEU H . 31012 1 163 . 1 . 1 22 22 LEU HA H 1 4.381 0.000 . 1 . . . . A 22 LEU HA . 31012 1 164 . 1 . 1 22 22 LEU HB2 H 1 1.643 0.000 . 2 . . . . A 22 LEU HB2 . 31012 1 165 . 1 . 1 22 22 LEU HB3 H 1 1.571 0.001 . 2 . . . . A 22 LEU HB3 . 31012 1 166 . 1 . 1 22 22 LEU HG H 1 1.647 0.002 . 1 . . . . A 22 LEU HG . 31012 1 167 . 1 . 1 22 22 LEU HD11 H 1 0.835 0.000 . 2 . . . . A 22 LEU HD11 . 31012 1 168 . 1 . 1 22 22 LEU HD12 H 1 0.835 0.000 . 2 . . . . A 22 LEU HD12 . 31012 1 169 . 1 . 1 22 22 LEU HD13 H 1 0.835 0.000 . 2 . . . . A 22 LEU HD13 . 31012 1 170 . 1 . 1 22 22 LEU HD21 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD21 . 31012 1 171 . 1 . 1 22 22 LEU HD22 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD22 . 31012 1 172 . 1 . 1 22 22 LEU HD23 H 1 0.901 0.000 . 2 . . . . A 22 LEU HD23 . 31012 1 173 . 1 . 1 23 23 ASN H H 1 8.570 0.002 . 1 . . . . A 23 ASN H . 31012 1 174 . 1 . 1 23 23 ASN HA H 1 4.928 0.002 . 1 . . . . A 23 ASN HA . 31012 1 175 . 1 . 1 23 23 ASN HB2 H 1 3.151 0.000 . 2 . . . . A 23 ASN HB2 . 31012 1 176 . 1 . 1 23 23 ASN HB3 H 1 2.799 0.000 . 2 . . . . A 23 ASN HB3 . 31012 1 177 . 1 . 1 23 23 ASN HD21 H 1 7.060 0.000 . 2 . . . . A 23 ASN HD21 . 31012 1 178 . 1 . 1 23 23 ASN HD22 H 1 7.801 0.000 . 2 . . . . A 23 ASN HD22 . 31012 1 179 . 1 . 1 24 24 GLU H H 1 8.612 0.000 . 1 . . . . A 24 GLU H . 31012 1 180 . 1 . 1 24 24 GLU HA H 1 4.050 0.001 . 1 . . . . A 24 GLU HA . 31012 1 181 . 1 . 1 24 24 GLU HB2 H 1 2.132 0.000 . 2 . . . . A 24 GLU HB2 . 31012 1 182 . 1 . 1 24 24 GLU HB3 H 1 1.935 0.000 . 2 . . . . A 24 GLU HB3 . 31012 1 183 . 1 . 1 24 24 GLU HG2 H 1 2.443 0.000 . 1 . . . . A 24 GLU HG2 . 31012 1 184 . 1 . 1 24 24 GLU HG3 H 1 2.443 0.000 . 1 . . . . A 24 GLU HG3 . 31012 1 185 . 1 . 1 25 25 XCP HA H 1 2.718 0.000 . 1 . . . . A 25 XCP HA . 31012 1 186 . 1 . 1 25 25 XCP HB H 1 4.358 0.001 . 1 . . . . A 25 XCP HB . 31012 1 187 . 1 . 1 25 25 XCP HD H 1 1.726 0.000 . 2 . . . . A 25 XCP HD . 31012 1 188 . 1 . 1 25 25 XCP HDA H 1 1.758 0.000 . 2 . . . . A 25 XCP HDA . 31012 1 189 . 1 . 1 25 25 XCP HE H 1 1.906 0.000 . 1 . . . . A 25 XCP HE . 31012 1 190 . 1 . 1 25 25 XCP HG H 1 1.610 0.000 . 2 . . . . A 25 XCP HG . 31012 1 191 . 1 . 1 25 25 XCP HGA H 1 2.061 0.000 . 2 . . . . A 25 XCP HGA . 31012 1 192 . 1 . 1 25 25 XCP HN H 1 8.037 0.001 . 1 . . . . A 25 XCP HN . 31012 1 193 . 1 . 1 26 26 GLN H H 1 8.274 0.000 . 1 . . . . A 26 GLN H . 31012 1 194 . 1 . 1 26 26 GLN HA H 1 3.893 0.001 . 1 . . . . A 26 GLN HA . 31012 1 195 . 1 . 1 26 26 GLN HB2 H 1 2.557 0.000 . 2 . . . . A 26 GLN HB2 . 31012 1 196 . 1 . 1 26 26 GLN HB3 H 1 2.384 0.000 . 2 . . . . A 26 GLN HB3 . 31012 1 197 . 1 . 1 26 26 GLN HG2 H 1 2.700 0.000 . 1 . . . . A 26 GLN HG2 . 31012 1 198 . 1 . 1 26 26 GLN HG3 H 1 2.700 0.000 . 1 . . . . A 26 GLN HG3 . 31012 1 199 . 1 . 1 26 26 GLN HE21 H 1 7.774 0.000 . 2 . . . . A 26 GLN HE21 . 31012 1 200 . 1 . 1 26 26 GLN HE22 H 1 8.420 0.000 . 2 . . . . A 26 GLN HE22 . 31012 1 201 . 1 . 1 27 27 ARG H H 1 8.695 0.000 . 1 . . . . A 27 ARG H . 31012 1 202 . 1 . 1 27 27 ARG HA H 1 3.738 0.003 . 1 . . . . A 27 ARG HA . 31012 1 203 . 1 . 1 27 27 ARG HB2 H 1 1.843 0.000 . 2 . . . . A 27 ARG HB2 . 31012 1 204 . 1 . 1 27 27 ARG HB3 H 1 1.753 0.000 . 2 . . . . A 27 ARG HB3 . 31012 1 205 . 1 . 1 27 27 ARG HG2 H 1 1.744 0.001 . 2 . . . . A 27 ARG HG2 . 31012 1 206 . 1 . 1 27 27 ARG HG3 H 1 1.355 0.007 . 2 . . . . A 27 ARG HG3 . 31012 1 207 . 1 . 1 27 27 ARG HD2 H 1 3.467 0.003 . 2 . . . . A 27 ARG HD2 . 31012 1 208 . 1 . 1 27 27 ARG HD3 H 1 3.176 0.004 . 2 . . . . A 27 ARG HD3 . 31012 1 209 . 1 . 1 28 28 B3X H H 1 7.573 0.002 . 1 . . . . A 28 B3X H . 31012 1 210 . 1 . 1 28 28 B3X HA1 H 1 2.301 0.000 . 2 . . . . A 28 B3X HA1 . 31012 1 211 . 1 . 1 28 28 B3X HA2 H 1 2.442 0.001 . 2 . . . . A 28 B3X HA2 . 31012 1 212 . 1 . 1 28 28 B3X HB H 1 4.588 0.001 . 1 . . . . A 28 B3X HB . 31012 1 213 . 1 . 1 28 28 B3X HE21 H 1 6.737 0.000 . 2 . . . . A 28 B3X HE21 . 31012 1 214 . 1 . 1 28 28 B3X HE22 H 1 7.604 0.001 . 2 . . . . A 28 B3X HE22 . 31012 1 215 . 1 . 1 28 28 B3X HG2 H 1 2.446 0.000 . 2 . . . . A 28 B3X HG2 . 31012 1 216 . 1 . 1 28 28 B3X HG3 H 1 2.769 0.000 . 2 . . . . A 28 B3X HG3 . 31012 1 217 . 1 . 1 29 29 ALA H H 1 8.054 0.000 . 1 . . . . A 29 ALA H . 31012 1 218 . 1 . 1 29 29 ALA HA H 1 3.939 0.000 . 1 . . . . A 29 ALA HA . 31012 1 219 . 1 . 1 29 29 ALA HB1 H 1 1.320 0.000 . 1 . . . . A 29 ALA HB1 . 31012 1 220 . 1 . 1 29 29 ALA HB2 H 1 1.320 0.000 . 1 . . . . A 29 ALA HB2 . 31012 1 221 . 1 . 1 29 29 ALA HB3 H 1 1.320 0.000 . 1 . . . . A 29 ALA HB3 . 31012 1 222 . 1 . 1 30 30 PHE H H 1 8.400 0.000 . 1 . . . . A 30 PHE H . 31012 1 223 . 1 . 1 30 30 PHE HA H 1 4.419 0.002 . 1 . . . . A 30 PHE HA . 31012 1 224 . 1 . 1 30 30 PHE HB2 H 1 3.351 0.000 . 2 . . . . A 30 PHE HB2 . 31012 1 225 . 1 . 1 30 30 PHE HB3 H 1 2.949 0.000 . 2 . . . . A 30 PHE HB3 . 31012 1 226 . 1 . 1 30 30 PHE HD1 H 1 7.303 0.000 . 1 . . . . A 30 PHE HD1 . 31012 1 227 . 1 . 1 30 30 PHE HD2 H 1 7.303 0.000 . 1 . . . . A 30 PHE HD2 . 31012 1 228 . 1 . 1 30 30 PHE HE1 H 1 7.098 0.000 . 1 . . . . A 30 PHE HE1 . 31012 1 229 . 1 . 1 30 30 PHE HE2 H 1 7.098 0.000 . 1 . . . . A 30 PHE HE2 . 31012 1 230 . 1 . 1 30 30 PHE HZ H 1 7.316 0.000 . 1 . . . . A 30 PHE HZ . 31012 1 231 . 1 . 1 31 31 ILE H H 1 8.474 0.000 . 1 . . . . A 31 ILE H . 31012 1 232 . 1 . 1 31 31 ILE HA H 1 3.805 0.001 . 1 . . . . A 31 ILE HA . 31012 1 233 . 1 . 1 31 31 ILE HB H 1 2.000 0.001 . 1 . . . . A 31 ILE HB . 31012 1 234 . 1 . 1 31 31 ILE HG12 H 1 1.676 0.000 . 2 . . . . A 31 ILE HG12 . 31012 1 235 . 1 . 1 31 31 ILE HG13 H 1 1.208 0.000 . 2 . . . . A 31 ILE HG13 . 31012 1 236 . 1 . 1 31 31 ILE HG21 H 1 1.038 0.001 . 1 . . . . A 31 ILE HG21 . 31012 1 237 . 1 . 1 31 31 ILE HG22 H 1 1.038 0.001 . 1 . . . . A 31 ILE HG22 . 31012 1 238 . 1 . 1 31 31 ILE HG23 H 1 1.038 0.001 . 1 . . . . A 31 ILE HG23 . 31012 1 239 . 1 . 1 31 31 ILE HD11 H 1 0.694 0.002 . 1 . . . . A 31 ILE HD11 . 31012 1 240 . 1 . 1 31 31 ILE HD12 H 1 0.694 0.002 . 1 . . . . A 31 ILE HD12 . 31012 1 241 . 1 . 1 31 31 ILE HD13 H 1 0.694 0.002 . 1 . . . . A 31 ILE HD13 . 31012 1 242 . 1 . 1 32 32 XCP HA H 1 2.708 0.000 . 1 . . . . A 32 XCP HA . 31012 1 243 . 1 . 1 32 32 XCP HB H 1 4.389 0.000 . 1 . . . . A 32 XCP HB . 31012 1 244 . 1 . 1 32 32 XCP HD H 1 1.720 0.000 . 1 . . . . A 32 XCP HD . 31012 1 245 . 1 . 1 32 32 XCP HE H 1 1.887 0.000 . 1 . . . . A 32 XCP HE . 31012 1 246 . 1 . 1 32 32 XCP HG H 1 1.843 0.000 . 2 . . . . A 32 XCP HG . 31012 1 247 . 1 . 1 32 32 XCP HGA H 1 2.005 0.000 . 2 . . . . A 32 XCP HGA . 31012 1 248 . 1 . 1 32 32 XCP HN H 1 8.130 0.002 . 1 . . . . A 32 XCP HN . 31012 1 249 . 1 . 1 33 33 SER H H 1 8.095 0.001 . 1 . . . . A 33 SER H . 31012 1 250 . 1 . 1 33 33 SER HA H 1 4.156 0.003 . 1 . . . . A 33 SER HA . 31012 1 251 . 1 . 1 33 33 SER HB2 H 1 4.006 0.003 . 1 . . . . A 33 SER HB2 . 31012 1 252 . 1 . 1 33 33 SER HB3 H 1 4.006 0.003 . 1 . . . . A 33 SER HB3 . 31012 1 253 . 1 . 1 34 34 LEU H H 1 8.355 0.000 . 1 . . . . A 34 LEU H . 31012 1 254 . 1 . 1 34 34 LEU HA H 1 3.872 0.000 . 1 . . . . A 34 LEU HA . 31012 1 255 . 1 . 1 34 34 LEU HB2 H 1 1.953 0.000 . 2 . . . . A 34 LEU HB2 . 31012 1 256 . 1 . 1 34 34 LEU HB3 H 1 1.786 0.000 . 2 . . . . A 34 LEU HB3 . 31012 1 257 . 1 . 1 34 34 LEU HG H 1 1.784 0.000 . 1 . . . . A 34 LEU HG . 31012 1 258 . 1 . 1 34 34 LEU HD11 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD11 . 31012 1 259 . 1 . 1 34 34 LEU HD12 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD12 . 31012 1 260 . 1 . 1 34 34 LEU HD13 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD13 . 31012 1 261 . 1 . 1 34 34 LEU HD21 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD21 . 31012 1 262 . 1 . 1 34 34 LEU HD22 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD22 . 31012 1 263 . 1 . 1 34 34 LEU HD23 H 1 0.912 0.001 . 1 . . . . A 34 LEU HD23 . 31012 1 264 . 1 . 1 35 35 B3K H H 1 7.300 0.001 . 1 . . . . A 35 B3K H . 31012 1 265 . 1 . 1 35 35 B3K HA1 H 1 2.389 0.001 . 2 . . . . A 35 B3K HA1 . 31012 1 266 . 1 . 1 35 35 B3K HA2 H 1 2.524 0.000 . 2 . . . . A 35 B3K HA2 . 31012 1 267 . 1 . 1 35 35 B3K HB H 1 4.131 0.002 . 1 . . . . A 35 B3K HB . 31012 1 268 . 1 . 1 35 35 B3K HD2 H 1 1.334 0.004 . 2 . . . . A 35 B3K HD2 . 31012 1 269 . 1 . 1 35 35 B3K HD3 H 1 1.390 0.034 . 2 . . . . A 35 B3K HD3 . 31012 1 270 . 1 . 1 35 35 B3K HE2 H 1 1.492 0.001 . 1 . . . . A 35 B3K HE2 . 31012 1 271 . 1 . 1 35 35 B3K HF1 H 1 2.604 0.002 . 2 . . . . A 35 B3K HF1 . 31012 1 272 . 1 . 1 35 35 B3K HF2 H 1 2.633 0.002 . 2 . . . . A 35 B3K HF2 . 31012 1 273 . 1 . 1 35 35 B3K HG2 H 1 1.635 0.002 . 1 . . . . A 35 B3K HG2 . 31012 1 274 . 1 . 1 36 36 ASP H H 1 8.516 0.000 . 1 . . . . A 36 ASP H . 31012 1 275 . 1 . 1 36 36 ASP HA H 1 4.318 0.002 . 1 . . . . A 36 ASP HA . 31012 1 276 . 1 . 1 36 36 ASP HB2 H 1 2.811 0.000 . 2 . . . . A 36 ASP HB2 . 31012 1 277 . 1 . 1 36 36 ASP HB3 H 1 2.709 0.000 . 2 . . . . A 36 ASP HB3 . 31012 1 278 . 1 . 1 37 37 ASP H H 1 8.301 0.002 . 1 . . . . A 37 ASP H . 31012 1 279 . 1 . 1 37 37 ASP HA H 1 5.037 0.002 . 1 . . . . A 37 ASP HA . 31012 1 280 . 1 . 1 37 37 ASP HB2 H 1 3.002 0.001 . 2 . . . . A 37 ASP HB2 . 31012 1 281 . 1 . 1 37 37 ASP HB3 H 1 2.615 0.001 . 2 . . . . A 37 ASP HB3 . 31012 1 282 . 1 . 1 38 38 PRO HA H 1 4.518 0.001 . 1 . . . . A 38 PRO HA . 31012 1 283 . 1 . 1 38 38 PRO HB2 H 1 2.353 0.000 . 2 . . . . A 38 PRO HB2 . 31012 1 284 . 1 . 1 38 38 PRO HB3 H 1 1.992 0.000 . 2 . . . . A 38 PRO HB3 . 31012 1 285 . 1 . 1 38 38 PRO HG2 H 1 2.218 0.000 . 2 . . . . A 38 PRO HG2 . 31012 1 286 . 1 . 1 38 38 PRO HG3 H 1 2.107 0.000 . 2 . . . . A 38 PRO HG3 . 31012 1 287 . 1 . 1 38 38 PRO HD2 H 1 3.896 0.000 . 2 . . . . A 38 PRO HD2 . 31012 1 288 . 1 . 1 38 38 PRO HD3 H 1 3.726 0.000 . 2 . . . . A 38 PRO HD3 . 31012 1 289 . 1 . 1 39 39 SER H H 1 8.264 0.000 . 1 . . . . A 39 SER H . 31012 1 290 . 1 . 1 39 39 SER HA H 1 4.285 0.000 . 1 . . . . A 39 SER HA . 31012 1 291 . 1 . 1 39 39 SER HB2 H 1 4.036 0.000 . 2 . . . . A 39 SER HB2 . 31012 1 292 . 1 . 1 39 39 SER HB3 H 1 3.947 0.000 . 2 . . . . A 39 SER HB3 . 31012 1 293 . 1 . 1 40 40 GLN H H 1 7.813 0.001 . 1 . . . . A 40 GLN H . 31012 1 294 . 1 . 1 40 40 GLN HA H 1 4.636 0.000 . 1 . . . . A 40 GLN HA . 31012 1 295 . 1 . 1 40 40 GLN HB2 H 1 2.652 0.000 . 2 . . . . A 40 GLN HB2 . 31012 1 296 . 1 . 1 40 40 GLN HB3 H 1 2.018 0.000 . 2 . . . . A 40 GLN HB3 . 31012 1 297 . 1 . 1 40 40 GLN HG2 H 1 2.478 0.000 . 2 . . . . A 40 GLN HG2 . 31012 1 298 . 1 . 1 40 40 GLN HG3 H 1 2.332 0.000 . 2 . . . . A 40 GLN HG3 . 31012 1 299 . 1 . 1 40 40 GLN HE21 H 1 7.001 0.000 . 2 . . . . A 40 GLN HE21 . 31012 1 300 . 1 . 1 40 40 GLN HE22 H 1 7.628 0.000 . 2 . . . . A 40 GLN HE22 . 31012 1 301 . 1 . 1 41 41 SER H H 1 7.766 0.000 . 1 . . . . A 41 SER H . 31012 1 302 . 1 . 1 41 41 SER HA H 1 3.810 0.000 . 1 . . . . A 41 SER HA . 31012 1 303 . 1 . 1 41 41 SER HB2 H 1 3.950 0.000 . 1 . . . . A 41 SER HB2 . 31012 1 304 . 1 . 1 41 41 SER HB3 H 1 3.950 0.000 . 1 . . . . A 41 SER HB3 . 31012 1 305 . 1 . 1 42 42 ALA H H 1 8.609 0.000 . 1 . . . . A 42 ALA H . 31012 1 306 . 1 . 1 42 42 ALA HA H 1 4.147 0.001 . 1 . . . . A 42 ALA HA . 31012 1 307 . 1 . 1 42 42 ALA HB1 H 1 1.438 0.000 . 1 . . . . A 42 ALA HB1 . 31012 1 308 . 1 . 1 42 42 ALA HB2 H 1 1.438 0.000 . 1 . . . . A 42 ALA HB2 . 31012 1 309 . 1 . 1 42 42 ALA HB3 H 1 1.438 0.000 . 1 . . . . A 42 ALA HB3 . 31012 1 310 . 1 . 1 43 43 ASN H H 1 8.132 0.000 . 1 . . . . A 43 ASN H . 31012 1 311 . 1 . 1 43 43 ASN HA H 1 4.550 0.000 . 1 . . . . A 43 ASN HA . 31012 1 312 . 1 . 1 43 43 ASN HB2 H 1 2.904 0.000 . 1 . . . . A 43 ASN HB2 . 31012 1 313 . 1 . 1 43 43 ASN HB3 H 1 2.904 0.000 . 1 . . . . A 43 ASN HB3 . 31012 1 314 . 1 . 1 43 43 ASN HD21 H 1 7.056 0.000 . 2 . . . . A 43 ASN HD21 . 31012 1 315 . 1 . 1 43 43 ASN HD22 H 1 7.863 0.000 . 2 . . . . A 43 ASN HD22 . 31012 1 316 . 1 . 1 44 44 LEU H H 1 8.611 0.000 . 1 . . . . A 44 LEU H . 31012 1 317 . 1 . 1 44 44 LEU HA H 1 4.227 0.000 . 1 . . . . A 44 LEU HA . 31012 1 318 . 1 . 1 44 44 LEU HB2 H 1 1.856 0.000 . 2 . . . . A 44 LEU HB2 . 31012 1 319 . 1 . 1 44 44 LEU HB3 H 1 1.381 0.000 . 2 . . . . A 44 LEU HB3 . 31012 1 320 . 1 . 1 44 44 LEU HG H 1 1.872 0.000 . 1 . . . . A 44 LEU HG . 31012 1 321 . 1 . 1 44 44 LEU HD11 H 1 0.850 0.002 . 2 . . . . A 44 LEU HD11 . 31012 1 322 . 1 . 1 44 44 LEU HD12 H 1 0.850 0.002 . 2 . . . . A 44 LEU HD12 . 31012 1 323 . 1 . 1 44 44 LEU HD13 H 1 0.850 0.002 . 2 . . . . A 44 LEU HD13 . 31012 1 324 . 1 . 1 44 44 LEU HD21 H 1 1.094 0.001 . 2 . . . . A 44 LEU HD21 . 31012 1 325 . 1 . 1 44 44 LEU HD22 H 1 1.094 0.001 . 2 . . . . A 44 LEU HD22 . 31012 1 326 . 1 . 1 44 44 LEU HD23 H 1 1.094 0.001 . 2 . . . . A 44 LEU HD23 . 31012 1 327 . 1 . 1 45 45 LEU H H 1 8.517 0.000 . 1 . . . . A 45 LEU H . 31012 1 328 . 1 . 1 45 45 LEU HA H 1 3.875 0.002 . 1 . . . . A 45 LEU HA . 31012 1 329 . 1 . 1 45 45 LEU HB2 H 1 1.997 0.001 . 2 . . . . A 45 LEU HB2 . 31012 1 330 . 1 . 1 45 45 LEU HB3 H 1 1.473 0.001 . 2 . . . . A 45 LEU HB3 . 31012 1 331 . 1 . 1 45 45 LEU HG H 1 1.553 0.003 . 1 . . . . A 45 LEU HG . 31012 1 332 . 1 . 1 45 45 LEU HD11 H 1 0.911 0.003 . 2 . . . . A 45 LEU HD11 . 31012 1 333 . 1 . 1 45 45 LEU HD12 H 1 0.911 0.003 . 2 . . . . A 45 LEU HD12 . 31012 1 334 . 1 . 1 45 45 LEU HD13 H 1 0.911 0.003 . 2 . . . . A 45 LEU HD13 . 31012 1 335 . 1 . 1 45 45 LEU HD21 H 1 0.930 0.001 . 2 . . . . A 45 LEU HD21 . 31012 1 336 . 1 . 1 45 45 LEU HD22 H 1 0.930 0.001 . 2 . . . . A 45 LEU HD22 . 31012 1 337 . 1 . 1 45 45 LEU HD23 H 1 0.930 0.001 . 2 . . . . A 45 LEU HD23 . 31012 1 338 . 1 . 1 46 46 ALA H H 1 7.694 0.000 . 1 . . . . A 46 ALA H . 31012 1 339 . 1 . 1 46 46 ALA HA H 1 4.066 0.001 . 1 . . . . A 46 ALA HA . 31012 1 340 . 1 . 1 46 46 ALA HB1 H 1 1.556 0.000 . 1 . . . . A 46 ALA HB1 . 31012 1 341 . 1 . 1 46 46 ALA HB2 H 1 1.556 0.000 . 1 . . . . A 46 ALA HB2 . 31012 1 342 . 1 . 1 46 46 ALA HB3 H 1 1.556 0.000 . 1 . . . . A 46 ALA HB3 . 31012 1 343 . 1 . 1 47 47 GLU H H 1 8.160 0.000 . 1 . . . . A 47 GLU H . 31012 1 344 . 1 . 1 47 47 GLU HA H 1 4.078 0.002 . 1 . . . . A 47 GLU HA . 31012 1 345 . 1 . 1 47 47 GLU HB2 H 1 2.381 0.000 . 2 . . . . A 47 GLU HB2 . 31012 1 346 . 1 . 1 47 47 GLU HB3 H 1 2.308 0.000 . 2 . . . . A 47 GLU HB3 . 31012 1 347 . 1 . 1 47 47 GLU HG2 H 1 2.612 0.000 . 2 . . . . A 47 GLU HG2 . 31012 1 348 . 1 . 1 47 47 GLU HG3 H 1 2.518 0.000 . 2 . . . . A 47 GLU HG3 . 31012 1 349 . 1 . 1 48 48 ALA H H 1 8.692 0.000 . 1 . . . . A 48 ALA H . 31012 1 350 . 1 . 1 48 48 ALA HA H 1 3.554 0.003 . 1 . . . . A 48 ALA HA . 31012 1 351 . 1 . 1 48 48 ALA HB1 H 1 0.556 0.000 . 1 . . . . A 48 ALA HB1 . 31012 1 352 . 1 . 1 48 48 ALA HB2 H 1 0.556 0.000 . 1 . . . . A 48 ALA HB2 . 31012 1 353 . 1 . 1 48 48 ALA HB3 H 1 0.556 0.000 . 1 . . . . A 48 ALA HB3 . 31012 1 354 . 1 . 1 49 49 LYS H H 1 8.589 0.000 . 1 . . . . A 49 LYS H . 31012 1 355 . 1 . 1 49 49 LYS HA H 1 3.780 0.000 . 1 . . . . A 49 LYS HA . 31012 1 356 . 1 . 1 49 49 LYS HB2 H 1 1.973 0.000 . 2 . . . . A 49 LYS HB2 . 31012 1 357 . 1 . 1 49 49 LYS HB3 H 1 1.768 0.000 . 2 . . . . A 49 LYS HB3 . 31012 1 358 . 1 . 1 49 49 LYS HG2 H 1 1.344 0.003 . 1 . . . . A 49 LYS HG2 . 31012 1 359 . 1 . 1 49 49 LYS HG3 H 1 1.344 0.003 . 1 . . . . A 49 LYS HG3 . 31012 1 360 . 1 . 1 49 49 LYS HD2 H 1 1.694 0.000 . 2 . . . . A 49 LYS HD2 . 31012 1 361 . 1 . 1 49 49 LYS HD3 H 1 1.612 0.000 . 2 . . . . A 49 LYS HD3 . 31012 1 362 . 1 . 1 49 49 LYS HE2 H 1 2.955 0.000 . 2 . . . . A 49 LYS HE2 . 31012 1 363 . 1 . 1 49 49 LYS HE3 H 1 2.842 0.003 . 2 . . . . A 49 LYS HE3 . 31012 1 364 . 1 . 1 50 50 LYS H H 1 7.695 0.003 . 1 . . . . A 50 LYS H . 31012 1 365 . 1 . 1 50 50 LYS HA H 1 4.133 0.001 . 1 . . . . A 50 LYS HA . 31012 1 366 . 1 . 1 50 50 LYS HB2 H 1 1.965 0.001 . 1 . . . . A 50 LYS HB2 . 31012 1 367 . 1 . 1 50 50 LYS HB3 H 1 1.965 0.001 . 1 . . . . A 50 LYS HB3 . 31012 1 368 . 1 . 1 50 50 LYS HG2 H 1 1.625 0.000 . 2 . . . . A 50 LYS HG2 . 31012 1 369 . 1 . 1 50 50 LYS HG3 H 1 1.442 0.008 . 2 . . . . A 50 LYS HG3 . 31012 1 370 . 1 . 1 50 50 LYS HD2 H 1 1.726 0.000 . 1 . . . . A 50 LYS HD2 . 31012 1 371 . 1 . 1 50 50 LYS HD3 H 1 1.726 0.000 . 1 . . . . A 50 LYS HD3 . 31012 1 372 . 1 . 1 50 50 LYS HE2 H 1 2.982 0.004 . 1 . . . . A 50 LYS HE2 . 31012 1 373 . 1 . 1 50 50 LYS HE3 H 1 2.982 0.004 . 1 . . . . A 50 LYS HE3 . 31012 1 374 . 1 . 1 51 51 LEU H H 1 7.964 0.000 . 1 . . . . A 51 LEU H . 31012 1 375 . 1 . 1 51 51 LEU HA H 1 4.175 0.000 . 1 . . . . A 51 LEU HA . 31012 1 376 . 1 . 1 51 51 LEU HB2 H 1 1.719 0.000 . 2 . . . . A 51 LEU HB2 . 31012 1 377 . 1 . 1 51 51 LEU HB3 H 1 1.667 0.000 . 2 . . . . A 51 LEU HB3 . 31012 1 378 . 1 . 1 51 51 LEU HG H 1 1.602 0.000 . 1 . . . . A 51 LEU HG . 31012 1 379 . 1 . 1 51 51 LEU HD11 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD11 . 31012 1 380 . 1 . 1 51 51 LEU HD12 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD12 . 31012 1 381 . 1 . 1 51 51 LEU HD13 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD13 . 31012 1 382 . 1 . 1 51 51 LEU HD21 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD21 . 31012 1 383 . 1 . 1 51 51 LEU HD22 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD22 . 31012 1 384 . 1 . 1 51 51 LEU HD23 H 1 0.995 0.000 . 1 . . . . A 51 LEU HD23 . 31012 1 385 . 1 . 1 52 52 ASN H H 1 8.645 0.000 . 1 . . . . A 52 ASN H . 31012 1 386 . 1 . 1 52 52 ASN HA H 1 3.950 0.001 . 1 . . . . A 52 ASN HA . 31012 1 387 . 1 . 1 52 52 ASN HB2 H 1 3.111 0.000 . 2 . . . . A 52 ASN HB2 . 31012 1 388 . 1 . 1 52 52 ASN HB3 H 1 2.382 0.000 . 2 . . . . A 52 ASN HB3 . 31012 1 389 . 1 . 1 52 52 ASN HD21 H 1 6.973 0.000 . 2 . . . . A 52 ASN HD21 . 31012 1 390 . 1 . 1 52 52 ASN HD22 H 1 8.010 0.000 . 2 . . . . A 52 ASN HD22 . 31012 1 391 . 1 . 1 53 53 ASP H H 1 8.299 0.000 . 1 . . . . A 53 ASP H . 31012 1 392 . 1 . 1 53 53 ASP HA H 1 4.481 0.000 . 1 . . . . A 53 ASP HA . 31012 1 393 . 1 . 1 53 53 ASP HB2 H 1 2.780 0.004 . 2 . . . . A 53 ASP HB2 . 31012 1 394 . 1 . 1 53 53 ASP HB3 H 1 2.726 0.000 . 2 . . . . A 53 ASP HB3 . 31012 1 395 . 1 . 1 54 54 ALA H H 1 8.067 0.000 . 1 . . . . A 54 ALA H . 31012 1 396 . 1 . 1 54 54 ALA HA H 1 4.260 0.000 . 1 . . . . A 54 ALA HA . 31012 1 397 . 1 . 1 54 54 ALA HB1 H 1 1.605 0.000 . 1 . . . . A 54 ALA HB1 . 31012 1 398 . 1 . 1 54 54 ALA HB2 H 1 1.605 0.000 . 1 . . . . A 54 ALA HB2 . 31012 1 399 . 1 . 1 54 54 ALA HB3 H 1 1.605 0.000 . 1 . . . . A 54 ALA HB3 . 31012 1 400 . 1 . 1 55 55 GLN H H 1 7.600 0.000 . 1 . . . . A 55 GLN H . 31012 1 401 . 1 . 1 55 55 GLN HA H 1 4.395 0.002 . 1 . . . . A 55 GLN HA . 31012 1 402 . 1 . 1 55 55 GLN HB2 H 1 2.017 0.000 . 2 . . . . A 55 GLN HB2 . 31012 1 403 . 1 . 1 55 55 GLN HB3 H 1 1.791 0.000 . 2 . . . . A 55 GLN HB3 . 31012 1 404 . 1 . 1 55 55 GLN HG2 H 1 2.646 0.001 . 2 . . . . A 55 GLN HG2 . 31012 1 405 . 1 . 1 55 55 GLN HG3 H 1 2.503 0.000 . 2 . . . . A 55 GLN HG3 . 31012 1 406 . 1 . 1 55 55 GLN HE21 H 1 7.361 0.000 . 2 . . . . A 55 GLN HE21 . 31012 1 407 . 1 . 1 55 55 GLN HE22 H 1 8.804 0.000 . 2 . . . . A 55 GLN HE22 . 31012 1 408 . 1 . 1 56 56 ALA H H 1 7.149 0.000 . 1 . . . . A 56 ALA H . 31012 1 409 . 1 . 1 56 56 ALA HA H 1 4.348 0.003 . 1 . . . . A 56 ALA HA . 31012 1 410 . 1 . 1 56 56 ALA HB1 H 1 1.450 0.000 . 1 . . . . A 56 ALA HB1 . 31012 1 411 . 1 . 1 56 56 ALA HB2 H 1 1.450 0.000 . 1 . . . . A 56 ALA HB2 . 31012 1 412 . 1 . 1 56 56 ALA HB3 H 1 1.450 0.000 . 1 . . . . A 56 ALA HB3 . 31012 1 413 . 1 . 1 57 57 PRO HA H 1 4.438 0.000 . 1 . . . . A 57 PRO HA . 31012 1 414 . 1 . 1 57 57 PRO HB2 H 1 2.333 0.001 . 2 . . . . A 57 PRO HB2 . 31012 1 415 . 1 . 1 57 57 PRO HB3 H 1 1.933 0.002 . 2 . . . . A 57 PRO HB3 . 31012 1 416 . 1 . 1 57 57 PRO HG2 H 1 2.096 0.003 . 1 . . . . A 57 PRO HG2 . 31012 1 417 . 1 . 1 57 57 PRO HG3 H 1 2.096 0.003 . 1 . . . . A 57 PRO HG3 . 31012 1 418 . 1 . 1 57 57 PRO HD2 H 1 3.803 0.001 . 2 . . . . A 57 PRO HD2 . 31012 1 419 . 1 . 1 57 57 PRO HD3 H 1 3.638 0.002 . 2 . . . . A 57 PRO HD3 . 31012 1 420 . 1 . 1 58 58 LYS H H 1 8.662 0.000 . 1 . . . . A 58 LYS H . 31012 1 421 . 1 . 1 58 58 LYS HA H 1 4.299 0.001 . 1 . . . . A 58 LYS HA . 31012 1 422 . 1 . 1 58 58 LYS HB2 H 1 1.881 0.000 . 2 . . . . A 58 LYS HB2 . 31012 1 423 . 1 . 1 58 58 LYS HB3 H 1 1.790 0.000 . 2 . . . . A 58 LYS HB3 . 31012 1 424 . 1 . 1 58 58 LYS HG2 H 1 1.535 0.000 . 1 . . . . A 58 LYS HG2 . 31012 1 425 . 1 . 1 58 58 LYS HG3 H 1 1.535 0.000 . 1 . . . . A 58 LYS HG3 . 31012 1 426 . 1 . 1 58 58 LYS HD2 H 1 1.704 0.000 . 1 . . . . A 58 LYS HD2 . 31012 1 427 . 1 . 1 58 58 LYS HD3 H 1 1.704 0.000 . 1 . . . . A 58 LYS HD3 . 31012 1 428 . 1 . 1 58 58 LYS HE2 H 1 3.043 0.001 . 1 . . . . A 58 LYS HE2 . 31012 1 429 . 1 . 1 58 58 LYS HE3 H 1 3.043 0.001 . 1 . . . . A 58 LYS HE3 . 31012 1 430 . 1 . 1 58 58 LYS HZ1 H 1 7.589 0.000 . 1 . . . . A 58 LYS HZ1 . 31012 1 431 . 1 . 1 58 58 LYS HZ2 H 1 7.589 0.000 . 1 . . . . A 58 LYS HZ2 . 31012 1 432 . 1 . 1 58 58 LYS HZ3 H 1 7.589 0.000 . 1 . . . . A 58 LYS HZ3 . 31012 1 433 . 1 . 1 59 59 NH2 HN1 H 1 7.208 0.000 . 2 . . . . A 59 NH2 HN1 . 31012 1 434 . 1 . 1 59 59 NH2 HN2 H 1 7.705 0.000 . 2 . . . . A 59 NH2 HN2 . 31012 1 stop_ save_