################################### # 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 30984 _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' . . . 30984 1 2 '2D 1H-1H NOESY' . . . 30984 1 3 '2D 1H-1H COSY' . . . 30984 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 4.108 0.000 . 1 . . . . A 1 ALA HA . 30984 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.541 0.000 . 1 . . . . A 1 ALA HB1 . 30984 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.541 0.000 . 1 . . . . A 1 ALA HB2 . 30984 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.541 0.000 . 1 . . . . A 1 ALA HB3 . 30984 1 5 . 1 . 1 2 2 ASP H H 1 8.648 0.001 . 1 . . . . A 2 ASP H . 30984 1 6 . 1 . 1 2 2 ASP HA H 1 4.640 0.001 . 1 . . . . A 2 ASP HA . 30984 1 7 . 1 . 1 2 2 ASP HB2 H 1 2.583 0.000 . 2 . . . . A 2 ASP HB2 . 30984 1 8 . 1 . 1 2 2 ASP HB3 H 1 2.697 0.001 . 2 . . . . A 2 ASP HB3 . 30984 1 9 . 1 . 1 3 3 ASN H H 1 8.423 0.001 . 1 . . . . A 3 ASN H . 30984 1 10 . 1 . 1 3 3 ASN HA H 1 4.608 0.001 . 1 . . . . A 3 ASN HA . 30984 1 11 . 1 . 1 3 3 ASN HB2 H 1 2.613 0.000 . 1 . . . . A 3 ASN HB2 . 30984 1 12 . 1 . 1 3 3 ASN HB3 H 1 2.613 0.000 . 1 . . . . A 3 ASN HB3 . 30984 1 13 . 1 . 1 3 3 ASN HD21 H 1 6.868 0.000 . 2 . . . . A 3 ASN HD21 . 30984 1 14 . 1 . 1 3 3 ASN HD22 H 1 7.524 0.000 . 2 . . . . A 3 ASN HD22 . 30984 1 15 . 1 . 1 4 4 LYS H H 1 8.267 0.002 . 1 . . . . A 4 LYS H . 30984 1 16 . 1 . 1 4 4 LYS HA H 1 4.191 0.002 . 1 . . . . A 4 LYS HA . 30984 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.648 0.002 . 2 . . . . A 4 LYS HB2 . 30984 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.697 0.000 . 2 . . . . A 4 LYS HB3 . 30984 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.269 0.000 . 1 . . . . A 4 LYS HG2 . 30984 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.269 0.000 . 1 . . . . A 4 LYS HG3 . 30984 1 21 . 1 . 1 4 4 LYS HD2 H 1 1.614 0.000 . 1 . . . . A 4 LYS HD2 . 30984 1 22 . 1 . 1 4 4 LYS HD3 H 1 1.614 0.000 . 1 . . . . A 4 LYS HD3 . 30984 1 23 . 1 . 1 4 4 LYS HE2 H 1 2.959 0.002 . 1 . . . . A 4 LYS HE2 . 30984 1 24 . 1 . 1 4 4 LYS HE3 H 1 2.959 0.002 . 1 . . . . A 4 LYS HE3 . 30984 1 25 . 1 . 1 5 5 PHE H H 1 8.145 0.000 . 1 . . . . A 5 PHE H . 30984 1 26 . 1 . 1 5 5 PHE HA H 1 5.009 0.001 . 1 . . . . A 5 PHE HA . 30984 1 27 . 1 . 1 5 5 PHE HB2 H 1 3.019 0.003 . 2 . . . . A 5 PHE HB2 . 30984 1 28 . 1 . 1 5 5 PHE HB3 H 1 3.352 0.001 . 2 . . . . A 5 PHE HB3 . 30984 1 29 . 1 . 1 5 5 PHE HD1 H 1 7.149 0.000 . 1 . . . . A 5 PHE HD1 . 30984 1 30 . 1 . 1 5 5 PHE HD2 H 1 7.149 0.000 . 1 . . . . A 5 PHE HD2 . 30984 1 31 . 1 . 1 5 5 PHE HE1 H 1 7.102 0.000 . 1 . . . . A 5 PHE HE1 . 30984 1 32 . 1 . 1 5 5 PHE HE2 H 1 7.102 0.000 . 1 . . . . A 5 PHE HE2 . 30984 1 33 . 1 . 1 6 6 ASN H H 1 8.452 0.003 . 1 . . . . A 6 ASN H . 30984 1 34 . 1 . 1 6 6 ASN HA H 1 4.728 0.002 . 1 . . . . A 6 ASN HA . 30984 1 35 . 1 . 1 6 6 ASN HB2 H 1 2.946 0.001 . 2 . . . . A 6 ASN HB2 . 30984 1 36 . 1 . 1 6 6 ASN HB3 H 1 3.260 0.001 . 2 . . . . A 6 ASN HB3 . 30984 1 37 . 1 . 1 6 6 ASN HD21 H 1 6.931 0.000 . 2 . . . . A 6 ASN HD21 . 30984 1 38 . 1 . 1 6 6 ASN HD22 H 1 7.521 0.000 . 2 . . . . A 6 ASN HD22 . 30984 1 39 . 1 . 1 7 7 LYS H H 1 8.350 0.000 . 1 . . . . A 7 LYS H . 30984 1 40 . 1 . 1 7 7 LYS HA H 1 4.001 0.001 . 1 . . . . A 7 LYS HA . 30984 1 41 . 1 . 1 7 7 LYS HB2 H 1 1.827 0.000 . 2 . . . . A 7 LYS HB2 . 30984 1 42 . 1 . 1 7 7 LYS HB3 H 1 1.885 0.000 . 2 . . . . A 7 LYS HB3 . 30984 1 43 . 1 . 1 7 7 LYS HG2 H 1 1.445 0.001 . 2 . . . . A 7 LYS HG2 . 30984 1 44 . 1 . 1 7 7 LYS HG3 H 1 1.523 0.000 . 2 . . . . A 7 LYS HG3 . 30984 1 45 . 1 . 1 7 7 LYS HD2 H 1 1.723 0.000 . 1 . . . . A 7 LYS HD2 . 30984 1 46 . 1 . 1 7 7 LYS HD3 H 1 1.723 0.000 . 1 . . . . A 7 LYS HD3 . 30984 1 47 . 1 . 1 7 7 LYS HE2 H 1 3.026 0.001 . 1 . . . . A 7 LYS HE2 . 30984 1 48 . 1 . 1 7 7 LYS HE3 H 1 3.026 0.001 . 1 . . . . A 7 LYS HE3 . 30984 1 49 . 1 . 1 8 8 GLU H H 1 8.311 0.000 . 1 . . . . A 8 GLU H . 30984 1 50 . 1 . 1 8 8 GLU HA H 1 4.117 0.001 . 1 . . . . A 8 GLU HA . 30984 1 51 . 1 . 1 8 8 GLU HB2 H 1 2.070 0.000 . 2 . . . . A 8 GLU HB2 . 30984 1 52 . 1 . 1 8 8 GLU HB3 H 1 2.141 0.000 . 2 . . . . A 8 GLU HB3 . 30984 1 53 . 1 . 1 8 8 GLU HG2 H 1 2.357 0.000 . 1 . . . . A 8 GLU HG2 . 30984 1 54 . 1 . 1 8 8 GLU HG3 H 1 2.357 0.000 . 1 . . . . A 8 GLU HG3 . 30984 1 55 . 1 . 1 9 9 GLN H H 1 8.495 0.000 . 1 . . . . A 9 GLN H . 30984 1 56 . 1 . 1 9 9 GLN HA H 1 3.911 0.000 . 1 . . . . A 9 GLN HA . 30984 1 57 . 1 . 1 9 9 GLN HB2 H 1 2.189 0.000 . 1 . . . . A 9 GLN HB2 . 30984 1 58 . 1 . 1 9 9 GLN HB3 H 1 2.189 0.000 . 1 . . . . A 9 GLN HB3 . 30984 1 59 . 1 . 1 9 9 GLN HG2 H 1 2.454 0.000 . 1 . . . . A 9 GLN HG2 . 30984 1 60 . 1 . 1 9 9 GLN HG3 H 1 2.454 0.000 . 1 . . . . A 9 GLN HG3 . 30984 1 61 . 1 . 1 9 9 GLN HE21 H 1 6.999 0.000 . 2 . . . . A 9 GLN HE21 . 30984 1 62 . 1 . 1 9 9 GLN HE22 H 1 7.256 0.000 . 2 . . . . A 9 GLN HE22 . 30984 1 63 . 1 . 1 10 10 GLN H H 1 8.614 0.000 . 1 . . . . A 10 GLN H . 30984 1 64 . 1 . 1 10 10 GLN HA H 1 3.996 0.002 . 1 . . . . A 10 GLN HA . 30984 1 65 . 1 . 1 10 10 GLN HB2 H 1 2.207 0.000 . 1 . . . . A 10 GLN HB2 . 30984 1 66 . 1 . 1 10 10 GLN HB3 H 1 2.207 0.000 . 1 . . . . A 10 GLN HB3 . 30984 1 67 . 1 . 1 10 10 GLN HG2 H 1 2.468 0.000 . 1 . . . . A 10 GLN HG2 . 30984 1 68 . 1 . 1 10 10 GLN HG3 H 1 2.468 0.000 . 1 . . . . A 10 GLN HG3 . 30984 1 69 . 1 . 1 10 10 GLN HE21 H 1 6.831 0.000 . 2 . . . . A 10 GLN HE21 . 30984 1 70 . 1 . 1 10 10 GLN HE22 H 1 7.232 0.000 . 2 . . . . A 10 GLN HE22 . 30984 1 71 . 1 . 1 11 11 ASN H H 1 8.292 0.000 . 1 . . . . A 11 ASN H . 30984 1 72 . 1 . 1 11 11 ASN HA H 1 4.620 0.002 . 1 . . . . A 11 ASN HA . 30984 1 73 . 1 . 1 11 11 ASN HB2 H 1 2.917 0.000 . 1 . . . . A 11 ASN HB2 . 30984 1 74 . 1 . 1 11 11 ASN HB3 H 1 2.917 0.000 . 1 . . . . A 11 ASN HB3 . 30984 1 75 . 1 . 1 11 11 ASN HD21 H 1 7.001 0.000 . 2 . . . . A 11 ASN HD21 . 30984 1 76 . 1 . 1 11 11 ASN HD22 H 1 7.741 0.000 . 2 . . . . A 11 ASN HD22 . 30984 1 77 . 1 . 1 12 12 ALA H H 1 7.959 0.000 . 1 . . . . A 12 ALA H . 30984 1 78 . 1 . 1 12 12 ALA HA H 1 4.097 0.000 . 1 . . . . A 12 ALA HA . 30984 1 79 . 1 . 1 12 12 ALA HB1 H 1 1.465 0.000 . 1 . . . . A 12 ALA HB1 . 30984 1 80 . 1 . 1 12 12 ALA HB2 H 1 1.465 0.000 . 1 . . . . A 12 ALA HB2 . 30984 1 81 . 1 . 1 12 12 ALA HB3 H 1 1.465 0.000 . 1 . . . . A 12 ALA HB3 . 30984 1 82 . 1 . 1 13 13 PHE H H 1 8.175 0.000 . 1 . . . . A 13 PHE H . 30984 1 83 . 1 . 1 13 13 PHE HA H 1 3.881 0.001 . 1 . . . . A 13 PHE HA . 30984 1 84 . 1 . 1 13 13 PHE HB2 H 1 3.002 0.000 . 2 . . . . A 13 PHE HB2 . 30984 1 85 . 1 . 1 13 13 PHE HB3 H 1 3.306 0.000 . 2 . . . . A 13 PHE HB3 . 30984 1 86 . 1 . 1 13 13 PHE HD1 H 1 7.059 0.000 . 1 . . . . A 13 PHE HD1 . 30984 1 87 . 1 . 1 13 13 PHE HD2 H 1 7.059 0.000 . 1 . . . . A 13 PHE HD2 . 30984 1 88 . 1 . 1 13 13 PHE HE1 H 1 7.285 0.000 . 1 . . . . A 13 PHE HE1 . 30984 1 89 . 1 . 1 13 13 PHE HE2 H 1 7.285 0.000 . 1 . . . . A 13 PHE HE2 . 30984 1 90 . 1 . 1 14 14 TYR H H 1 8.149 0.000 . 1 . . . . A 14 TYR H . 30984 1 91 . 1 . 1 14 14 TYR HA H 1 3.957 0.003 . 1 . . . . A 14 TYR HA . 30984 1 92 . 1 . 1 14 14 TYR HB2 H 1 3.222 0.000 . 1 . . . . A 14 TYR HB2 . 30984 1 93 . 1 . 1 14 14 TYR HB3 H 1 3.222 0.000 . 1 . . . . A 14 TYR HB3 . 30984 1 94 . 1 . 1 14 14 TYR HD1 H 1 7.141 0.000 . 1 . . . . A 14 TYR HD1 . 30984 1 95 . 1 . 1 14 14 TYR HD2 H 1 7.141 0.000 . 1 . . . . A 14 TYR HD2 . 30984 1 96 . 1 . 1 14 14 TYR HE1 H 1 6.718 0.000 . 1 . . . . A 14 TYR HE1 . 30984 1 97 . 1 . 1 14 14 TYR HE2 H 1 6.718 0.000 . 1 . . . . A 14 TYR HE2 . 30984 1 98 . 1 . 1 15 15 GLU H H 1 8.603 0.000 . 1 . . . . A 15 GLU H . 30984 1 99 . 1 . 1 15 15 GLU HA H 1 4.015 0.000 . 1 . . . . A 15 GLU HA . 30984 1 100 . 1 . 1 15 15 GLU HB2 H 1 2.013 0.000 . 2 . . . . A 15 GLU HB2 . 30984 1 101 . 1 . 1 15 15 GLU HB3 H 1 2.182 0.000 . 2 . . . . A 15 GLU HB3 . 30984 1 102 . 1 . 1 15 15 GLU HG2 H 1 2.284 0.000 . 2 . . . . A 15 GLU HG2 . 30984 1 103 . 1 . 1 15 15 GLU HG3 H 1 2.493 0.000 . 2 . . . . A 15 GLU HG3 . 30984 1 104 . 1 . 1 16 16 ILE H H 1 8.435 0.000 . 1 . . . . A 16 ILE H . 30984 1 105 . 1 . 1 16 16 ILE HA H 1 3.436 0.002 . 1 . . . . A 16 ILE HA . 30984 1 106 . 1 . 1 16 16 ILE HB H 1 1.806 0.002 . 1 . . . . A 16 ILE HB . 30984 1 107 . 1 . 1 16 16 ILE HG12 H 1 1.857 0.000 . 1 . . . . A 16 ILE HG12 . 30984 1 108 . 1 . 1 16 16 ILE HG13 H 1 1.857 0.000 . 1 . . . . A 16 ILE HG13 . 30984 1 109 . 1 . 1 16 16 ILE HG21 H 1 0.792 0.000 . 1 . . . . A 16 ILE HG21 . 30984 1 110 . 1 . 1 16 16 ILE HG22 H 1 0.792 0.000 . 1 . . . . A 16 ILE HG22 . 30984 1 111 . 1 . 1 16 16 ILE HG23 H 1 0.792 0.000 . 1 . . . . A 16 ILE HG23 . 30984 1 112 . 1 . 1 16 16 ILE HD11 H 1 0.554 0.000 . 1 . . . . A 16 ILE HD11 . 30984 1 113 . 1 . 1 16 16 ILE HD12 H 1 0.554 0.000 . 1 . . . . A 16 ILE HD12 . 30984 1 114 . 1 . 1 16 16 ILE HD13 H 1 0.554 0.000 . 1 . . . . A 16 ILE HD13 . 30984 1 115 . 1 . 1 17 17 LEU H H 1 7.888 0.000 . 1 . . . . A 17 LEU H . 30984 1 116 . 1 . 1 17 17 LEU HA H 1 3.712 0.001 . 1 . . . . A 17 LEU HA . 30984 1 117 . 1 . 1 17 17 LEU HB2 H 1 1.150 0.002 . 2 . . . . A 17 LEU HB2 . 30984 1 118 . 1 . 1 17 17 LEU HB3 H 1 1.506 0.002 . 2 . . . . A 17 LEU HB3 . 30984 1 119 . 1 . 1 17 17 LEU HG H 1 1.395 0.003 . 1 . . . . A 17 LEU HG . 30984 1 120 . 1 . 1 17 17 LEU HD11 H 1 0.590 0.002 . 2 . . . . A 17 LEU HD11 . 30984 1 121 . 1 . 1 17 17 LEU HD12 H 1 0.590 0.002 . 2 . . . . A 17 LEU HD12 . 30984 1 122 . 1 . 1 17 17 LEU HD13 H 1 0.590 0.002 . 2 . . . . A 17 LEU HD13 . 30984 1 123 . 1 . 1 17 17 LEU HD21 H 1 0.679 0.001 . 2 . . . . A 17 LEU HD21 . 30984 1 124 . 1 . 1 17 17 LEU HD22 H 1 0.679 0.001 . 2 . . . . A 17 LEU HD22 . 30984 1 125 . 1 . 1 17 17 LEU HD23 H 1 0.679 0.001 . 2 . . . . A 17 LEU HD23 . 30984 1 126 . 1 . 1 18 18 HIS H H 1 7.271 0.001 . 1 . . . . A 18 HIS H . 30984 1 127 . 1 . 1 18 18 HIS HA H 1 4.476 0.000 . 1 . . . . A 18 HIS HA . 30984 1 128 . 1 . 1 18 18 HIS HB2 H 1 2.772 0.001 . 2 . . . . A 18 HIS HB2 . 30984 1 129 . 1 . 1 18 18 HIS HB3 H 1 3.481 0.000 . 2 . . . . A 18 HIS HB3 . 30984 1 130 . 1 . 1 18 18 HIS HD2 H 1 7.101 0.000 . 1 . . . . A 18 HIS HD2 . 30984 1 131 . 1 . 1 18 18 HIS HE1 H 1 8.263 0.000 . 1 . . . . A 18 HIS HE1 . 30984 1 132 . 1 . 1 19 19 LEU H H 1 7.239 0.000 . 1 . . . . A 19 LEU H . 30984 1 133 . 1 . 1 19 19 LEU HA H 1 4.513 0.001 . 1 . . . . A 19 LEU HA . 30984 1 134 . 1 . 1 19 19 LEU HB2 H 1 1.364 0.001 . 2 . . . . A 19 LEU HB2 . 30984 1 135 . 1 . 1 19 19 LEU HB3 H 1 1.749 0.000 . 2 . . . . A 19 LEU HB3 . 30984 1 136 . 1 . 1 19 19 LEU HG H 1 2.218 0.003 . 1 . . . . A 19 LEU HG . 30984 1 137 . 1 . 1 19 19 LEU HD11 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD11 . 30984 1 138 . 1 . 1 19 19 LEU HD12 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD12 . 30984 1 139 . 1 . 1 19 19 LEU HD13 H 1 0.692 0.000 . 2 . . . . A 19 LEU HD13 . 30984 1 140 . 1 . 1 19 19 LEU HD21 H 1 0.847 0.003 . 2 . . . . A 19 LEU HD21 . 30984 1 141 . 1 . 1 19 19 LEU HD22 H 1 0.847 0.003 . 2 . . . . A 19 LEU HD22 . 30984 1 142 . 1 . 1 19 19 LEU HD23 H 1 0.847 0.003 . 2 . . . . A 19 LEU HD23 . 30984 1 143 . 1 . 1 20 20 PRO HA H 1 4.389 0.001 . 1 . . . . A 20 PRO HA . 30984 1 144 . 1 . 1 20 20 PRO HB2 H 1 1.981 0.000 . 2 . . . . A 20 PRO HB2 . 30984 1 145 . 1 . 1 20 20 PRO HB3 H 1 2.316 0.000 . 2 . . . . A 20 PRO HB3 . 30984 1 146 . 1 . 1 20 20 PRO HG2 H 1 2.041 0.000 . 2 . . . . A 20 PRO HG2 . 30984 1 147 . 1 . 1 20 20 PRO HG3 H 1 2.177 0.000 . 2 . . . . A 20 PRO HG3 . 30984 1 148 . 1 . 1 20 20 PRO HD2 H 1 3.816 0.000 . 2 . . . . A 20 PRO HD2 . 30984 1 149 . 1 . 1 20 20 PRO HD3 H 1 4.067 0.000 . 2 . . . . A 20 PRO HD3 . 30984 1 150 . 1 . 1 21 21 ASN H H 1 8.918 0.000 . 1 . . . . A 21 ASN H . 30984 1 151 . 1 . 1 21 21 ASN HA H 1 5.002 0.000 . 1 . . . . A 21 ASN HA . 30984 1 152 . 1 . 1 21 21 ASN HB2 H 1 2.869 0.001 . 2 . . . . A 21 ASN HB2 . 30984 1 153 . 1 . 1 21 21 ASN HB3 H 1 2.960 0.000 . 2 . . . . A 21 ASN HB3 . 30984 1 154 . 1 . 1 21 21 ASN HD21 H 1 7.088 0.000 . 2 . . . . A 21 ASN HD21 . 30984 1 155 . 1 . 1 21 21 ASN HD22 H 1 7.419 0.000 . 2 . . . . A 21 ASN HD22 . 30984 1 156 . 1 . 1 22 22 LEU H H 1 6.602 0.000 . 1 . . . . A 22 LEU H . 30984 1 157 . 1 . 1 22 22 LEU HA H 1 4.537 0.001 . 1 . . . . A 22 LEU HA . 30984 1 158 . 1 . 1 22 22 LEU HB2 H 1 1.616 0.000 . 2 . . . . A 22 LEU HB2 . 30984 1 159 . 1 . 1 22 22 LEU HB3 H 1 1.699 0.000 . 2 . . . . A 22 LEU HB3 . 30984 1 160 . 1 . 1 22 22 LEU HG H 1 1.704 0.000 . 1 . . . . A 22 LEU HG . 30984 1 161 . 1 . 1 22 22 LEU HD11 H 1 0.839 0.000 . 2 . . . . A 22 LEU HD11 . 30984 1 162 . 1 . 1 22 22 LEU HD12 H 1 0.839 0.000 . 2 . . . . A 22 LEU HD12 . 30984 1 163 . 1 . 1 22 22 LEU HD13 H 1 0.839 0.000 . 2 . . . . A 22 LEU HD13 . 30984 1 164 . 1 . 1 22 22 LEU HD21 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD21 . 30984 1 165 . 1 . 1 22 22 LEU HD22 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD22 . 30984 1 166 . 1 . 1 22 22 LEU HD23 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD23 . 30984 1 167 . 1 . 1 23 23 ASN H H 1 8.291 0.000 . 1 . . . . A 23 ASN H . 30984 1 168 . 1 . 1 23 23 ASN HA H 1 4.895 0.002 . 1 . . . . A 23 ASN HA . 30984 1 169 . 1 . 1 23 23 ASN HB2 H 1 2.857 0.000 . 2 . . . . A 23 ASN HB2 . 30984 1 170 . 1 . 1 23 23 ASN HB3 H 1 3.294 0.000 . 2 . . . . A 23 ASN HB3 . 30984 1 171 . 1 . 1 23 23 ASN HD21 H 1 7.044 0.000 . 2 . . . . A 23 ASN HD21 . 30984 1 172 . 1 . 1 23 23 ASN HD22 H 1 7.508 0.000 . 2 . . . . A 23 ASN HD22 . 30984 1 173 . 1 . 1 24 24 GLU H H 1 8.658 0.000 . 1 . . . . A 24 GLU H . 30984 1 174 . 1 . 1 24 24 GLU HA H 1 3.933 0.000 . 1 . . . . A 24 GLU HA . 30984 1 175 . 1 . 1 24 24 GLU HB2 H 1 2.037 0.000 . 2 . . . . A 24 GLU HB2 . 30984 1 176 . 1 . 1 24 24 GLU HB3 H 1 2.061 0.000 . 2 . . . . A 24 GLU HB3 . 30984 1 177 . 1 . 1 24 24 GLU HG2 H 1 2.370 0.000 . 1 . . . . A 24 GLU HG2 . 30984 1 178 . 1 . 1 24 24 GLU HG3 H 1 2.370 0.000 . 1 . . . . A 24 GLU HG3 . 30984 1 179 . 1 . 1 25 25 GLU H H 1 8.430 0.000 . 1 . . . . A 25 GLU H . 30984 1 180 . 1 . 1 25 25 GLU HA H 1 4.102 0.002 . 1 . . . . A 25 GLU HA . 30984 1 181 . 1 . 1 25 25 GLU HB2 H 1 2.029 0.000 . 2 . . . . A 25 GLU HB2 . 30984 1 182 . 1 . 1 25 25 GLU HB3 H 1 2.129 0.000 . 2 . . . . A 25 GLU HB3 . 30984 1 183 . 1 . 1 25 25 GLU HG2 H 1 2.347 0.000 . 1 . . . . A 25 GLU HG2 . 30984 1 184 . 1 . 1 25 25 GLU HG3 H 1 2.347 0.000 . 1 . . . . A 25 GLU HG3 . 30984 1 185 . 1 . 1 26 26 GLN H H 1 8.391 0.000 . 1 . . . . A 26 GLN H . 30984 1 186 . 1 . 1 26 26 GLN HA H 1 3.838 0.001 . 1 . . . . A 26 GLN HA . 30984 1 187 . 1 . 1 26 26 GLN HB2 H 1 2.032 0.000 . 2 . . . . A 26 GLN HB2 . 30984 1 188 . 1 . 1 26 26 GLN HB3 H 1 2.483 0.000 . 2 . . . . A 26 GLN HB3 . 30984 1 189 . 1 . 1 26 26 GLN HG2 H 1 2.299 0.000 . 2 . . . . A 26 GLN HG2 . 30984 1 190 . 1 . 1 26 26 GLN HG3 H 1 2.833 0.000 . 2 . . . . A 26 GLN HG3 . 30984 1 191 . 1 . 1 26 26 GLN HE21 H 1 7.497 0.000 . 2 . . . . A 26 GLN HE21 . 30984 1 192 . 1 . 1 26 26 GLN HE22 H 1 8.019 0.000 . 2 . . . . A 26 GLN HE22 . 30984 1 193 . 1 . 1 27 27 ARG H H 1 8.636 0.000 . 1 . . . . A 27 ARG H . 30984 1 194 . 1 . 1 27 27 ARG HA H 1 3.789 0.001 . 1 . . . . A 27 ARG HA . 30984 1 195 . 1 . 1 27 27 ARG HB2 H 1 1.732 0.000 . 2 . . . . A 27 ARG HB2 . 30984 1 196 . 1 . 1 27 27 ARG HB3 H 1 1.897 0.000 . 2 . . . . A 27 ARG HB3 . 30984 1 197 . 1 . 1 27 27 ARG HG2 H 1 1.527 0.000 . 2 . . . . A 27 ARG HG2 . 30984 1 198 . 1 . 1 27 27 ARG HG3 H 1 1.732 0.001 . 2 . . . . A 27 ARG HG3 . 30984 1 199 . 1 . 1 27 27 ARG HD2 H 1 3.204 0.000 . 2 . . . . A 27 ARG HD2 . 30984 1 200 . 1 . 1 27 27 ARG HD3 H 1 3.380 0.000 . 2 . . . . A 27 ARG HD3 . 30984 1 201 . 1 . 1 28 28 ASN H H 1 8.472 0.000 . 1 . . . . A 28 ASN H . 30984 1 202 . 1 . 1 28 28 ASN HA H 1 4.418 0.002 . 1 . . . . A 28 ASN HA . 30984 1 203 . 1 . 1 28 28 ASN HB2 H 1 2.802 0.000 . 2 . . . . A 28 ASN HB2 . 30984 1 204 . 1 . 1 28 28 ASN HB3 H 1 2.909 0.000 . 2 . . . . A 28 ASN HB3 . 30984 1 205 . 1 . 1 28 28 ASN HD21 H 1 6.997 0.000 . 2 . . . . A 28 ASN HD21 . 30984 1 206 . 1 . 1 28 28 ASN HD22 H 1 7.648 0.000 . 2 . . . . A 28 ASN HD22 . 30984 1 207 . 1 . 1 29 29 ALA H H 1 7.737 0.000 . 1 . . . . A 29 ALA H . 30984 1 208 . 1 . 1 29 29 ALA HA H 1 4.171 0.000 . 1 . . . . A 29 ALA HA . 30984 1 209 . 1 . 1 29 29 ALA HB1 H 1 1.286 0.000 . 1 . . . . A 29 ALA HB1 . 30984 1 210 . 1 . 1 29 29 ALA HB2 H 1 1.286 0.000 . 1 . . . . A 29 ALA HB2 . 30984 1 211 . 1 . 1 29 29 ALA HB3 H 1 1.286 0.000 . 1 . . . . A 29 ALA HB3 . 30984 1 212 . 1 . 1 30 30 PHE H H 1 7.806 0.002 . 1 . . . . A 30 PHE H . 30984 1 213 . 1 . 1 30 30 PHE HA H 1 4.295 0.001 . 1 . . . . A 30 PHE HA . 30984 1 214 . 1 . 1 30 30 PHE HB2 H 1 3.006 0.000 . 2 . . . . A 30 PHE HB2 . 30984 1 215 . 1 . 1 30 30 PHE HB3 H 1 3.130 0.001 . 2 . . . . A 30 PHE HB3 . 30984 1 216 . 1 . 1 30 30 PHE HD1 H 1 7.295 0.000 . 1 . . . . A 30 PHE HD1 . 30984 1 217 . 1 . 1 30 30 PHE HD2 H 1 7.295 0.000 . 1 . . . . A 30 PHE HD2 . 30984 1 218 . 1 . 1 30 30 PHE HE1 H 1 7.242 0.001 . 1 . . . . A 30 PHE HE1 . 30984 1 219 . 1 . 1 30 30 PHE HE2 H 1 7.242 0.001 . 1 . . . . A 30 PHE HE2 . 30984 1 220 . 1 . 1 30 30 PHE HZ H 1 7.074 0.000 . 1 . . . . A 30 PHE HZ . 30984 1 221 . 1 . 1 31 31 ILE H H 1 8.488 0.000 . 1 . . . . A 31 ILE H . 30984 1 222 . 1 . 1 31 31 ILE HA H 1 3.757 0.001 . 1 . . . . A 31 ILE HA . 30984 1 223 . 1 . 1 31 31 ILE HB H 1 2.115 0.002 . 1 . . . . A 31 ILE HB . 30984 1 224 . 1 . 1 31 31 ILE HG12 H 1 1.383 0.000 . 1 . . . . A 31 ILE HG12 . 30984 1 225 . 1 . 1 31 31 ILE HG13 H 1 1.622 0.000 . 1 . . . . A 31 ILE HG13 . 30984 1 226 . 1 . 1 31 31 ILE HG21 H 1 0.958 0.000 . 1 . . . . A 31 ILE HG21 . 30984 1 227 . 1 . 1 31 31 ILE HG22 H 1 0.958 0.000 . 1 . . . . A 31 ILE HG22 . 30984 1 228 . 1 . 1 31 31 ILE HG23 H 1 0.958 0.000 . 1 . . . . A 31 ILE HG23 . 30984 1 229 . 1 . 1 31 31 ILE HD11 H 1 0.677 0.001 . 1 . . . . A 31 ILE HD11 . 30984 1 230 . 1 . 1 31 31 ILE HD12 H 1 0.677 0.001 . 1 . . . . A 31 ILE HD12 . 30984 1 231 . 1 . 1 31 31 ILE HD13 H 1 0.677 0.001 . 1 . . . . A 31 ILE HD13 . 30984 1 232 . 1 . 1 32 32 GLN H H 1 8.520 0.000 . 1 . . . . A 32 GLN H . 30984 1 233 . 1 . 1 32 32 GLN HA H 1 3.942 0.001 . 1 . . . . A 32 GLN HA . 30984 1 234 . 1 . 1 32 32 GLN HB2 H 1 2.173 0.000 . 2 . . . . A 32 GLN HB2 . 30984 1 235 . 1 . 1 32 32 GLN HB3 H 1 2.219 0.000 . 2 . . . . A 32 GLN HB3 . 30984 1 236 . 1 . 1 32 32 GLN HG2 H 1 2.429 0.000 . 1 . . . . A 32 GLN HG2 . 30984 1 237 . 1 . 1 32 32 GLN HG3 H 1 2.429 0.000 . 1 . . . . A 32 GLN HG3 . 30984 1 238 . 1 . 1 32 32 GLN HE21 H 1 6.902 0.000 . 2 . . . . A 32 GLN HE21 . 30984 1 239 . 1 . 1 32 32 GLN HE22 H 1 7.752 0.000 . 2 . . . . A 32 GLN HE22 . 30984 1 240 . 1 . 1 33 33 SER H H 1 7.679 0.000 . 1 . . . . A 33 SER H . 30984 1 241 . 1 . 1 33 33 SER HA H 1 4.268 0.003 . 1 . . . . A 33 SER HA . 30984 1 242 . 1 . 1 33 33 SER HB2 H 1 3.932 0.000 . 2 . . . . A 33 SER HB2 . 30984 1 243 . 1 . 1 33 33 SER HB3 H 1 4.051 0.000 . 2 . . . . A 33 SER HB3 . 30984 1 244 . 1 . 1 34 34 LEU H H 1 8.083 0.000 . 1 . . . . A 34 LEU H . 30984 1 245 . 1 . 1 34 34 LEU HA H 1 3.835 0.001 . 1 . . . . A 34 LEU HA . 30984 1 246 . 1 . 1 34 34 LEU HB2 H 1 1.691 0.000 . 2 . . . . A 34 LEU HB2 . 30984 1 247 . 1 . 1 34 34 LEU HB3 H 1 1.844 0.004 . 2 . . . . A 34 LEU HB3 . 30984 1 248 . 1 . 1 34 34 LEU HG H 1 1.655 0.005 . 1 . . . . A 34 LEU HG . 30984 1 249 . 1 . 1 34 34 LEU HD11 H 1 0.740 0.000 . 2 . . . . A 34 LEU HD11 . 30984 1 250 . 1 . 1 34 34 LEU HD12 H 1 0.740 0.000 . 2 . . . . A 34 LEU HD12 . 30984 1 251 . 1 . 1 34 34 LEU HD13 H 1 0.740 0.000 . 2 . . . . A 34 LEU HD13 . 30984 1 252 . 1 . 1 34 34 LEU HD21 H 1 0.792 0.000 . 2 . . . . A 34 LEU HD21 . 30984 1 253 . 1 . 1 34 34 LEU HD22 H 1 0.792 0.000 . 2 . . . . A 34 LEU HD22 . 30984 1 254 . 1 . 1 34 34 LEU HD23 H 1 0.792 0.000 . 2 . . . . A 34 LEU HD23 . 30984 1 255 . 1 . 1 35 35 LYS H H 1 8.115 0.000 . 1 . . . . A 35 LYS H . 30984 1 256 . 1 . 1 35 35 LYS HA H 1 4.008 0.000 . 1 . . . . A 35 LYS HA . 30984 1 257 . 1 . 1 35 35 LYS HB2 H 1 1.933 0.000 . 2 . . . . A 35 LYS HB2 . 30984 1 258 . 1 . 1 35 35 LYS HB3 H 1 1.989 0.000 . 2 . . . . A 35 LYS HB3 . 30984 1 259 . 1 . 1 35 35 LYS HG2 H 1 1.445 0.000 . 1 . . . . A 35 LYS HG2 . 30984 1 260 . 1 . 1 35 35 LYS HG3 H 1 1.445 0.000 . 1 . . . . A 35 LYS HG3 . 30984 1 261 . 1 . 1 35 35 LYS HD2 H 1 1.684 0.000 . 1 . . . . A 35 LYS HD2 . 30984 1 262 . 1 . 1 35 35 LYS HD3 H 1 1.684 0.000 . 1 . . . . A 35 LYS HD3 . 30984 1 263 . 1 . 1 35 35 LYS HE2 H 1 2.849 0.001 . 2 . . . . A 35 LYS HE2 . 30984 1 264 . 1 . 1 35 35 LYS HE3 H 1 2.896 0.000 . 2 . . . . A 35 LYS HE3 . 30984 1 265 . 1 . 1 36 36 ASP H H 1 8.000 0.000 . 1 . . . . A 36 ASP H . 30984 1 266 . 1 . 1 36 36 ASP HA H 1 4.474 0.000 . 1 . . . . A 36 ASP HA . 30984 1 267 . 1 . 1 36 36 ASP HB2 H 1 2.749 0.000 . 2 . . . . A 36 ASP HB2 . 30984 1 268 . 1 . 1 36 36 ASP HB3 H 1 2.822 0.000 . 2 . . . . A 36 ASP HB3 . 30984 1 269 . 1 . 1 37 37 ASP H H 1 7.562 0.001 . 1 . . . . A 37 ASP H . 30984 1 270 . 1 . 1 37 37 ASP HA H 1 4.954 0.001 . 1 . . . . A 37 ASP HA . 30984 1 271 . 1 . 1 37 37 ASP HB2 H 1 2.608 0.002 . 2 . . . . A 37 ASP HB2 . 30984 1 272 . 1 . 1 37 37 ASP HB3 H 1 2.977 0.002 . 2 . . . . A 37 ASP HB3 . 30984 1 273 . 1 . 1 38 38 PRO HA H 1 4.511 0.002 . 1 . . . . A 38 PRO HA . 30984 1 274 . 1 . 1 38 38 PRO HB2 H 1 1.987 0.000 . 2 . . . . A 38 PRO HB2 . 30984 1 275 . 1 . 1 38 38 PRO HB3 H 1 2.268 0.002 . 2 . . . . A 38 PRO HB3 . 30984 1 276 . 1 . 1 38 38 PRO HG2 H 1 2.123 0.001 . 2 . . . . A 38 PRO HG2 . 30984 1 277 . 1 . 1 38 38 PRO HG3 H 1 2.217 0.000 . 2 . . . . A 38 PRO HG3 . 30984 1 278 . 1 . 1 38 38 PRO HD2 H 1 3.691 0.001 . 2 . . . . A 38 PRO HD2 . 30984 1 279 . 1 . 1 38 38 PRO HD3 H 1 3.875 0.000 . 2 . . . . A 38 PRO HD3 . 30984 1 280 . 1 . 1 39 39 SER H H 1 8.122 0.000 . 1 . . . . A 39 SER H . 30984 1 281 . 1 . 1 39 39 SER HA H 1 4.311 0.002 . 1 . . . . A 39 SER HA . 30984 1 282 . 1 . 1 39 39 SER HB2 H 1 3.981 0.000 . 2 . . . . A 39 SER HB2 . 30984 1 283 . 1 . 1 39 39 SER HB3 H 1 4.047 0.000 . 2 . . . . A 39 SER HB3 . 30984 1 284 . 1 . 1 40 40 GLN H H 1 7.842 0.001 . 1 . . . . A 40 GLN H . 30984 1 285 . 1 . 1 40 40 GLN HA H 1 4.725 0.001 . 1 . . . . A 40 GLN HA . 30984 1 286 . 1 . 1 40 40 GLN HB2 H 1 1.944 0.002 . 2 . . . . A 40 GLN HB2 . 30984 1 287 . 1 . 1 40 40 GLN HB3 H 1 2.550 0.000 . 2 . . . . A 40 GLN HB3 . 30984 1 288 . 1 . 1 40 40 GLN HG2 H 1 2.307 0.000 . 2 . . . . A 40 GLN HG2 . 30984 1 289 . 1 . 1 40 40 GLN HG3 H 1 2.423 0.000 . 2 . . . . A 40 GLN HG3 . 30984 1 290 . 1 . 1 40 40 GLN HE21 H 1 6.662 0.000 . 2 . . . . A 40 GLN HE21 . 30984 1 291 . 1 . 1 40 40 GLN HE22 H 1 7.432 0.000 . 2 . . . . A 40 GLN HE22 . 30984 1 292 . 1 . 1 41 41 SER H H 1 7.597 0.000 . 1 . . . . A 41 SER H . 30984 1 293 . 1 . 1 41 41 SER HA H 1 3.763 0.000 . 1 . . . . A 41 SER HA . 30984 1 294 . 1 . 1 41 41 SER HB2 H 1 3.913 0.000 . 1 . . . . A 41 SER HB2 . 30984 1 295 . 1 . 1 41 41 SER HB3 H 1 3.913 0.000 . 1 . . . . A 41 SER HB3 . 30984 1 296 . 1 . 1 42 42 ALA H H 1 8.292 0.000 . 1 . . . . A 42 ALA H . 30984 1 297 . 1 . 1 42 42 ALA HA H 1 4.045 0.000 . 1 . . . . A 42 ALA HA . 30984 1 298 . 1 . 1 42 42 ALA HB1 H 1 1.419 0.000 . 1 . . . . A 42 ALA HB1 . 30984 1 299 . 1 . 1 42 42 ALA HB2 H 1 1.419 0.000 . 1 . . . . A 42 ALA HB2 . 30984 1 300 . 1 . 1 42 42 ALA HB3 H 1 1.419 0.000 . 1 . . . . A 42 ALA HB3 . 30984 1 301 . 1 . 1 43 43 AIB H H 1 7.970 0.000 . 1 . . . . A 43 AIB H . 30984 1 302 . 1 . 1 43 43 AIB HB11 H 1 1.417 0.000 . 2 . . . . A 43 AIB QB1 . 30984 1 303 . 1 . 1 43 43 AIB HB12 H 1 1.417 0.000 . 2 . . . . A 43 AIB QB1 . 30984 1 304 . 1 . 1 43 43 AIB HB13 H 1 1.417 0.000 . 2 . . . . A 43 AIB QB1 . 30984 1 305 . 1 . 1 43 43 AIB HB21 H 1 1.566 0.000 . 2 . . . . A 43 AIB QB2 . 30984 1 306 . 1 . 1 43 43 AIB HB22 H 1 1.566 0.000 . 2 . . . . A 43 AIB QB2 . 30984 1 307 . 1 . 1 43 43 AIB HB23 H 1 1.566 0.000 . 2 . . . . A 43 AIB QB2 . 30984 1 308 . 1 . 1 44 44 LEU H H 1 8.328 0.000 . 1 . . . . A 44 LEU H . 30984 1 309 . 1 . 1 44 44 LEU HA H 1 4.048 0.001 . 1 . . . . A 44 LEU HA . 30984 1 310 . 1 . 1 44 44 LEU HB2 H 1 1.266 0.001 . 2 . . . . A 44 LEU HB2 . 30984 1 311 . 1 . 1 44 44 LEU HB3 H 1 1.903 0.000 . 2 . . . . A 44 LEU HB3 . 30984 1 312 . 1 . 1 44 44 LEU HG H 1 1.905 0.003 . 1 . . . . A 44 LEU HG . 30984 1 313 . 1 . 1 44 44 LEU HD11 H 1 0.830 0.002 . 2 . . . . A 44 LEU HD11 . 30984 1 314 . 1 . 1 44 44 LEU HD12 H 1 0.830 0.002 . 2 . . . . A 44 LEU HD12 . 30984 1 315 . 1 . 1 44 44 LEU HD13 H 1 0.830 0.002 . 2 . . . . A 44 LEU HD13 . 30984 1 316 . 1 . 1 44 44 LEU HD21 H 1 1.063 0.001 . 2 . . . . A 44 LEU HD21 . 30984 1 317 . 1 . 1 44 44 LEU HD22 H 1 1.063 0.001 . 2 . . . . A 44 LEU HD22 . 30984 1 318 . 1 . 1 44 44 LEU HD23 H 1 1.063 0.001 . 2 . . . . A 44 LEU HD23 . 30984 1 319 . 1 . 1 45 45 LEU H H 1 8.312 0.000 . 1 . . . . A 45 LEU H . 30984 1 320 . 1 . 1 45 45 LEU HA H 1 3.889 0.002 . 1 . . . . A 45 LEU HA . 30984 1 321 . 1 . 1 45 45 LEU HB2 H 1 1.527 0.000 . 2 . . . . A 45 LEU HB2 . 30984 1 322 . 1 . 1 45 45 LEU HB3 H 1 1.913 0.002 . 2 . . . . A 45 LEU HB3 . 30984 1 323 . 1 . 1 45 45 LEU HG H 1 1.550 0.000 . 1 . . . . A 45 LEU HG . 30984 1 324 . 1 . 1 45 45 LEU HD11 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD11 . 30984 1 325 . 1 . 1 45 45 LEU HD12 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD12 . 30984 1 326 . 1 . 1 45 45 LEU HD13 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD13 . 30984 1 327 . 1 . 1 45 45 LEU HD21 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD21 . 30984 1 328 . 1 . 1 45 45 LEU HD22 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD22 . 30984 1 329 . 1 . 1 45 45 LEU HD23 H 1 0.902 0.000 . 1 . . . . A 45 LEU HD23 . 30984 1 330 . 1 . 1 46 46 ALA H H 1 7.717 0.002 . 1 . . . . A 46 ALA H . 30984 1 331 . 1 . 1 46 46 ALA HA H 1 3.957 0.000 . 1 . . . . A 46 ALA HA . 30984 1 332 . 1 . 1 46 46 ALA HB1 H 1 1.521 0.000 . 1 . . . . A 46 ALA HB1 . 30984 1 333 . 1 . 1 46 46 ALA HB2 H 1 1.521 0.000 . 1 . . . . A 46 ALA HB2 . 30984 1 334 . 1 . 1 46 46 ALA HB3 H 1 1.521 0.000 . 1 . . . . A 46 ALA HB3 . 30984 1 335 . 1 . 1 47 47 AIB H H 1 8.099 0.000 . 1 . . . . A 47 AIB H . 30984 1 336 . 1 . 1 47 47 AIB HB11 H 1 1.407 0.000 . 2 . . . . A 47 AIB QB1 . 30984 1 337 . 1 . 1 47 47 AIB HB12 H 1 1.407 0.000 . 2 . . . . A 47 AIB QB1 . 30984 1 338 . 1 . 1 47 47 AIB HB13 H 1 1.407 0.000 . 2 . . . . A 47 AIB QB1 . 30984 1 339 . 1 . 1 47 47 AIB HB21 H 1 1.676 0.000 . 2 . . . . A 47 AIB QB2 . 30984 1 340 . 1 . 1 47 47 AIB HB22 H 1 1.676 0.000 . 2 . . . . A 47 AIB QB2 . 30984 1 341 . 1 . 1 47 47 AIB HB23 H 1 1.676 0.000 . 2 . . . . A 47 AIB QB2 . 30984 1 342 . 1 . 1 48 48 ALA H H 1 8.099 0.000 . 1 . . . . A 48 ALA H . 30984 1 343 . 1 . 1 48 48 ALA HA H 1 3.379 0.001 . 1 . . . . A 48 ALA HA . 30984 1 344 . 1 . 1 48 48 ALA HB1 H 1 0.550 0.000 . 1 . . . . A 48 ALA HB1 . 30984 1 345 . 1 . 1 48 48 ALA HB2 H 1 0.550 0.000 . 1 . . . . A 48 ALA HB2 . 30984 1 346 . 1 . 1 48 48 ALA HB3 H 1 0.550 0.000 . 1 . . . . A 48 ALA HB3 . 30984 1 347 . 1 . 1 49 49 LYS H H 1 8.411 0.000 . 1 . . . . A 49 LYS H . 30984 1 348 . 1 . 1 49 49 LYS HA H 1 3.650 0.001 . 1 . . . . A 49 LYS HA . 30984 1 349 . 1 . 1 49 49 LYS HB2 H 1 1.794 0.000 . 2 . . . . A 49 LYS HB2 . 30984 1 350 . 1 . 1 49 49 LYS HB3 H 1 1.905 0.000 . 2 . . . . A 49 LYS HB3 . 30984 1 351 . 1 . 1 49 49 LYS HG2 H 1 1.310 0.000 . 1 . . . . A 49 LYS HG2 . 30984 1 352 . 1 . 1 49 49 LYS HG3 H 1 1.310 0.000 . 1 . . . . A 49 LYS HG3 . 30984 1 353 . 1 . 1 49 49 LYS HD2 H 1 1.591 0.000 . 2 . . . . A 49 LYS HD2 . 30984 1 354 . 1 . 1 49 49 LYS HD3 H 1 1.677 0.000 . 2 . . . . A 49 LYS HD3 . 30984 1 355 . 1 . 1 49 49 LYS HE2 H 1 2.845 0.000 . 2 . . . . A 49 LYS HE2 . 30984 1 356 . 1 . 1 49 49 LYS HE3 H 1 2.937 0.000 . 2 . . . . A 49 LYS HE3 . 30984 1 357 . 1 . 1 50 50 AIB H H 1 8.003 0.000 . 1 . . . . A 50 AIB H . 30984 1 358 . 1 . 1 50 50 AIB HB11 H 1 1.410 0.000 . 2 . . . . A 50 AIB QB1 . 30984 1 359 . 1 . 1 50 50 AIB HB12 H 1 1.410 0.000 . 2 . . . . A 50 AIB QB1 . 30984 1 360 . 1 . 1 50 50 AIB HB13 H 1 1.410 0.000 . 2 . . . . A 50 AIB QB1 . 30984 1 361 . 1 . 1 50 50 AIB HB21 H 1 1.575 0.000 . 2 . . . . A 50 AIB QB2 . 30984 1 362 . 1 . 1 50 50 AIB HB22 H 1 1.575 0.000 . 2 . . . . A 50 AIB QB2 . 30984 1 363 . 1 . 1 50 50 AIB HB23 H 1 1.575 0.000 . 2 . . . . A 50 AIB QB2 . 30984 1 364 . 1 . 1 51 51 LEU H H 1 7.733 0.000 . 1 . . . . A 51 LEU H . 30984 1 365 . 1 . 1 51 51 LEU HA H 1 3.959 0.001 . 1 . . . . A 51 LEU HA . 30984 1 366 . 1 . 1 51 51 LEU HB2 H 1 1.619 0.000 . 2 . . . . A 51 LEU HB2 . 30984 1 367 . 1 . 1 51 51 LEU HB3 H 1 1.815 0.001 . 2 . . . . A 51 LEU HB3 . 30984 1 368 . 1 . 1 51 51 LEU HG H 1 1.577 0.000 . 1 . . . . A 51 LEU HG . 30984 1 369 . 1 . 1 51 51 LEU HD11 H 1 0.897 0.000 . 2 . . . . A 51 LEU HD11 . 30984 1 370 . 1 . 1 51 51 LEU HD12 H 1 0.897 0.000 . 2 . . . . A 51 LEU HD12 . 30984 1 371 . 1 . 1 51 51 LEU HD13 H 1 0.897 0.000 . 2 . . . . A 51 LEU HD13 . 30984 1 372 . 1 . 1 51 51 LEU HD21 H 1 0.950 0.000 . 2 . . . . A 51 LEU HD21 . 30984 1 373 . 1 . 1 51 51 LEU HD22 H 1 0.950 0.000 . 2 . . . . A 51 LEU HD22 . 30984 1 374 . 1 . 1 51 51 LEU HD23 H 1 0.950 0.000 . 2 . . . . A 51 LEU HD23 . 30984 1 375 . 1 . 1 52 52 ASN H H 1 8.600 0.001 . 1 . . . . A 52 ASN H . 30984 1 376 . 1 . 1 52 52 ASN HA H 1 3.973 0.000 . 1 . . . . A 52 ASN HA . 30984 1 377 . 1 . 1 52 52 ASN HB2 H 1 3.213 0.000 . 1 . . . . A 52 ASN HB2 . 30984 1 378 . 1 . 1 52 52 ASN HB3 H 1 3.213 0.000 . 1 . . . . A 52 ASN HB3 . 30984 1 379 . 1 . 1 52 52 ASN HD21 H 1 6.754 0.000 . 2 . . . . A 52 ASN HD21 . 30984 1 380 . 1 . 1 52 52 ASN HD22 H 1 7.908 0.000 . 2 . . . . A 52 ASN HD22 . 30984 1 381 . 1 . 1 53 53 ASP H H 1 7.966 0.001 . 1 . . . . A 53 ASP H . 30984 1 382 . 1 . 1 53 53 ASP HA H 1 4.439 0.000 . 1 . . . . A 53 ASP HA . 30984 1 383 . 1 . 1 53 53 ASP HB2 H 1 2.722 0.000 . 2 . . . . A 53 ASP HB2 . 30984 1 384 . 1 . 1 53 53 ASP HB3 H 1 2.795 0.000 . 2 . . . . A 53 ASP HB3 . 30984 1 385 . 1 . 1 54 54 AIB H H 1 8.161 0.001 . 1 . . . . A 54 AIB H . 30984 1 386 . 1 . 1 54 54 AIB HB11 H 1 1.560 0.000 . 2 . . . . A 54 AIB QB1 . 30984 1 387 . 1 . 1 54 54 AIB HB12 H 1 1.560 0.000 . 2 . . . . A 54 AIB QB1 . 30984 1 388 . 1 . 1 54 54 AIB HB13 H 1 1.560 0.000 . 2 . . . . A 54 AIB QB1 . 30984 1 389 . 1 . 1 54 54 AIB HB21 H 1 1.626 0.000 . 2 . . . . A 54 AIB QB2 . 30984 1 390 . 1 . 1 54 54 AIB HB22 H 1 1.626 0.000 . 2 . . . . A 54 AIB QB2 . 30984 1 391 . 1 . 1 54 54 AIB HB23 H 1 1.626 0.000 . 2 . . . . A 54 AIB QB2 . 30984 1 392 . 1 . 1 55 55 GLN H H 1 7.573 0.002 . 1 . . . . A 55 GLN H . 30984 1 393 . 1 . 1 55 55 GLN HA H 1 4.315 0.001 . 1 . . . . A 55 GLN HA . 30984 1 394 . 1 . 1 55 55 GLN HB2 H 1 1.822 0.000 . 2 . . . . A 55 GLN HB2 . 30984 1 395 . 1 . 1 55 55 GLN HB3 H 1 2.304 0.000 . 2 . . . . A 55 GLN HB3 . 30984 1 396 . 1 . 1 55 55 GLN HG2 H 1 2.520 0.000 . 2 . . . . A 55 GLN HG2 . 30984 1 397 . 1 . 1 55 55 GLN HG3 H 1 2.649 0.000 . 2 . . . . A 55 GLN HG3 . 30984 1 398 . 1 . 1 55 55 GLN HE21 H 1 7.193 0.000 . 2 . . . . A 55 GLN HE21 . 30984 1 399 . 1 . 1 55 55 GLN HE22 H 1 8.415 0.000 . 2 . . . . A 55 GLN HE22 . 30984 1 400 . 1 . 1 56 56 ALA H H 1 7.419 0.000 . 1 . . . . A 56 ALA H . 30984 1 401 . 1 . 1 56 56 ALA HA H 1 4.320 0.000 . 1 . . . . A 56 ALA HA . 30984 1 402 . 1 . 1 56 56 ALA HB1 H 1 1.485 0.000 . 1 . . . . A 56 ALA HB1 . 30984 1 403 . 1 . 1 56 56 ALA HB2 H 1 1.485 0.000 . 1 . . . . A 56 ALA HB2 . 30984 1 404 . 1 . 1 56 56 ALA HB3 H 1 1.485 0.000 . 1 . . . . A 56 ALA HB3 . 30984 1 405 . 1 . 1 57 57 PRO HA H 1 4.445 0.002 . 1 . . . . A 57 PRO HA . 30984 1 406 . 1 . 1 57 57 PRO HB2 H 1 1.938 0.000 . 2 . . . . A 57 PRO HB2 . 30984 1 407 . 1 . 1 57 57 PRO HB3 H 1 2.337 0.000 . 2 . . . . A 57 PRO HB3 . 30984 1 408 . 1 . 1 57 57 PRO HG2 H 1 2.090 0.006 . 2 . . . . A 57 PRO HG2 . 30984 1 409 . 1 . 1 57 57 PRO HG3 H 1 2.125 0.001 . 2 . . . . A 57 PRO HG3 . 30984 1 410 . 1 . 1 57 57 PRO HD2 H 1 3.631 0.000 . 2 . . . . A 57 PRO HD2 . 30984 1 411 . 1 . 1 57 57 PRO HD3 H 1 3.803 0.000 . 2 . . . . A 57 PRO HD3 . 30984 1 412 . 1 . 1 58 58 LYS H H 1 8.495 0.001 . 1 . . . . A 58 LYS H . 30984 1 413 . 1 . 1 58 58 LYS HA H 1 4.332 0.001 . 1 . . . . A 58 LYS HA . 30984 1 414 . 1 . 1 58 58 LYS HB2 H 1 1.789 0.001 . 2 . . . . A 58 LYS HB2 . 30984 1 415 . 1 . 1 58 58 LYS HB3 H 1 1.900 0.003 . 2 . . . . A 58 LYS HB3 . 30984 1 416 . 1 . 1 58 58 LYS HG2 H 1 1.489 0.001 . 2 . . . . A 58 LYS HG2 . 30984 1 417 . 1 . 1 58 58 LYS HG3 H 1 1.546 0.000 . 2 . . . . A 58 LYS HG3 . 30984 1 418 . 1 . 1 58 58 LYS HD2 H 1 1.714 0.001 . 1 . . . . A 58 LYS HD2 . 30984 1 419 . 1 . 1 58 58 LYS HD3 H 1 1.714 0.001 . 1 . . . . A 58 LYS HD3 . 30984 1 420 . 1 . 1 58 58 LYS HE2 H 1 3.067 0.002 . 1 . . . . A 58 LYS HE2 . 30984 1 421 . 1 . 1 58 58 LYS HE3 H 1 3.067 0.002 . 1 . . . . A 58 LYS HE3 . 30984 1 422 . 1 . 1 59 59 NH2 HN1 H 1 7.085 0.000 . 2 . . . . A 59 NH2 HN1 . 30984 1 423 . 1 . 1 59 59 NH2 HN2 H 1 7.576 0.000 . 2 . . . . A 59 NH2 HN2 . 30984 1 stop_ save_