################################### # 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 31118 _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' . . . 31118 1 2 '2D 1H-1H COSY' . . . 31118 1 3 '2D 1H-1H NOESY' . . . 31118 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 MET HA H 1 4.178 0.002 . 1 . . . . A 1 MET HA . 31118 1 2 . 1 . 1 1 1 MET HB2 H 1 2.205 0.000 . 2 . . . . A 1 MET HB2 . 31118 1 3 . 1 . 1 1 1 MET HB3 H 1 2.095 0.000 . 2 . . . . A 1 MET HB3 . 31118 1 4 . 1 . 1 1 1 MET HG2 H 1 2.430 0.000 . 1 . . . . A 1 MET HG2 . 31118 1 5 . 1 . 1 1 1 MET HG3 H 1 2.430 0.000 . 1 . . . . A 1 MET HG3 . 31118 1 6 . 1 . 1 1 1 MET HE1 H 1 2.128 0.000 . 1 . . . . A 1 MET HE1 . 31118 1 7 . 1 . 1 1 1 MET HE2 H 1 2.128 0.000 . 1 . . . . A 1 MET HE2 . 31118 1 8 . 1 . 1 1 1 MET HE3 H 1 2.128 0.000 . 1 . . . . A 1 MET HE3 . 31118 1 9 . 1 . 1 2 2 GLN H H 1 8.367 0.000 . 1 . . . . A 2 GLN H . 31118 1 10 . 1 . 1 2 2 GLN HA H 1 4.985 0.000 . 1 . . . . A 2 GLN HA . 31118 1 11 . 1 . 1 2 2 GLN HB2 H 1 2.043 0.000 . 2 . . . . A 2 GLN HB2 . 31118 1 12 . 1 . 1 2 2 GLN HB3 H 1 1.994 0.000 . 2 . . . . A 2 GLN HB3 . 31118 1 13 . 1 . 1 2 2 GLN HG2 H 1 2.367 0.001 . 2 . . . . A 2 GLN HG2 . 31118 1 14 . 1 . 1 2 2 GLN HG3 H 1 2.132 0.001 . 2 . . . . A 2 GLN HG3 . 31118 1 15 . 1 . 1 2 2 GLN HE21 H 1 6.917 0.000 . 2 . . . . A 2 GLN HE21 . 31118 1 16 . 1 . 1 2 2 GLN HE22 H 1 7.851 0.000 . 2 . . . . A 2 GLN HE22 . 31118 1 17 . 1 . 1 3 3 TYR H H 1 9.117 0.002 . 1 . . . . A 3 TYR H . 31118 1 18 . 1 . 1 3 3 TYR HA H 1 5.376 0.001 . 1 . . . . A 3 TYR HA . 31118 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.409 0.001 . 2 . . . . A 3 TYR HB2 . 31118 1 20 . 1 . 1 3 3 TYR HB3 H 1 2.755 0.001 . 2 . . . . A 3 TYR HB3 . 31118 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.149 0.000 . 1 . . . . A 3 TYR HD1 . 31118 1 22 . 1 . 1 3 3 TYR HD2 H 1 7.149 0.000 . 1 . . . . A 3 TYR HD2 . 31118 1 23 . 1 . 1 3 3 TYR HE1 H 1 6.925 0.000 . 1 . . . . A 3 TYR HE1 . 31118 1 24 . 1 . 1 3 3 TYR HE2 H 1 6.925 0.000 . 1 . . . . A 3 TYR HE2 . 31118 1 25 . 1 . 1 4 4 LYS H H 1 9.096 0.001 . 1 . . . . A 4 LYS H . 31118 1 26 . 1 . 1 4 4 LYS HA H 1 5.239 0.003 . 1 . . . . A 4 LYS HA . 31118 1 27 . 1 . 1 4 4 LYS HB2 H 1 2.043 0.004 . 2 . . . . A 4 LYS HB2 . 31118 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.906 0.003 . 2 . . . . A 4 LYS HB3 . 31118 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.475 0.007 . 2 . . . . A 4 LYS HG2 . 31118 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.355 0.005 . 2 . . . . A 4 LYS HG3 . 31118 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.627 0.003 . 1 . . . . A 4 LYS HD2 . 31118 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.627 0.003 . 1 . . . . A 4 LYS HD3 . 31118 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.859 0.002 . 2 . . . . A 4 LYS HE2 . 31118 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.785 0.001 . 2 . . . . A 4 LYS HE3 . 31118 1 35 . 1 . 1 5 5 LEU H H 1 8.651 0.001 . 1 . . . . A 5 LEU H . 31118 1 36 . 1 . 1 5 5 LEU HA H 1 4.945 0.003 . 1 . . . . A 5 LEU HA . 31118 1 37 . 1 . 1 5 5 LEU HB2 H 1 0.804 0.001 . 2 . . . . A 5 LEU HB2 . 31118 1 38 . 1 . 1 5 5 LEU HB3 H 1 -1.109 0.001 . 2 . . . . A 5 LEU HB3 . 31118 1 39 . 1 . 1 5 5 LEU HG H 1 0.864 0.001 . 1 . . . . A 5 LEU HG . 31118 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD11 . 31118 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD12 . 31118 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD13 . 31118 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD21 . 31118 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD22 . 31118 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD23 . 31118 1 46 . 1 . 1 6 6 ILE H H 1 9.112 0.001 . 1 . . . . A 6 ILE H . 31118 1 47 . 1 . 1 6 6 ILE HA H 1 4.296 0.002 . 1 . . . . A 6 ILE HA . 31118 1 48 . 1 . 1 6 6 ILE HB H 1 1.982 0.002 . 1 . . . . A 6 ILE HB . 31118 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.413 0.000 . 2 . . . . A 6 ILE HG12 . 31118 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.089 0.002 . 2 . . . . A 6 ILE HG13 . 31118 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG21 . 31118 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG22 . 31118 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG23 . 31118 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD11 . 31118 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD12 . 31118 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD13 . 31118 1 57 . 1 . 1 7 7 LEU H H 1 8.734 0.000 . 1 . . . . A 7 LEU H . 31118 1 58 . 1 . 1 7 7 LEU HA H 1 4.481 0.001 . 1 . . . . A 7 LEU HA . 31118 1 59 . 1 . 1 7 7 LEU HB2 H 1 1.407 0.001 . 1 . . . . A 7 LEU HB2 . 31118 1 60 . 1 . 1 7 7 LEU HB3 H 1 1.407 0.001 . 1 . . . . A 7 LEU HB3 . 31118 1 61 . 1 . 1 7 7 LEU HG H 1 1.314 0.002 . 1 . . . . A 7 LEU HG . 31118 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD11 . 31118 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD12 . 31118 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD13 . 31118 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD21 . 31118 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD22 . 31118 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD23 . 31118 1 68 . 1 . 1 8 8 ASN H H 1 9.019 0.001 . 1 . . . . A 8 ASN H . 31118 1 69 . 1 . 1 8 8 ASN HA H 1 5.281 0.002 . 1 . . . . A 8 ASN HA . 31118 1 70 . 1 . 1 8 8 ASN HB2 H 1 3.001 0.002 . 2 . . . . A 8 ASN HB2 . 31118 1 71 . 1 . 1 8 8 ASN HB3 H 1 2.566 0.002 . 2 . . . . A 8 ASN HB3 . 31118 1 72 . 1 . 1 8 8 ASN HD21 H 1 6.790 0.000 . 2 . . . . A 8 ASN HD21 . 31118 1 73 . 1 . 1 8 8 ASN HD22 H 1 7.190 0.000 . 2 . . . . A 8 ASN HD22 . 31118 1 74 . 1 . 1 9 9 GLY H H 1 7.978 0.001 . 1 . . . . A 9 GLY H . 31118 1 75 . 1 . 1 9 9 GLY HA2 H 1 4.386 0.001 . 2 . . . . A 9 GLY HA2 . 31118 1 76 . 1 . 1 9 9 GLY HA3 H 1 3.992 0.000 . 2 . . . . A 9 GLY HA3 . 31118 1 77 . 1 . 1 10 10 LYS H H 1 9.495 0.000 . 1 . . . . A 10 LYS H . 31118 1 78 . 1 . 1 10 10 LYS HA H 1 4.063 0.001 . 1 . . . . A 10 LYS HA . 31118 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.832 0.000 . 1 . . . . A 10 LYS HB2 . 31118 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.832 0.000 . 1 . . . . A 10 LYS HB3 . 31118 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.483 0.000 . 1 . . . . A 10 LYS HG2 . 31118 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.483 0.000 . 1 . . . . A 10 LYS HG3 . 31118 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.684 0.000 . 1 . . . . A 10 LYS HD2 . 31118 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.684 0.000 . 1 . . . . A 10 LYS HD3 . 31118 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.992 0.000 . 1 . . . . A 10 LYS HE2 . 31118 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.992 0.000 . 1 . . . . A 10 LYS HE3 . 31118 1 87 . 1 . 1 11 11 THR H H 1 8.826 0.001 . 1 . . . . A 11 THR H . 31118 1 88 . 1 . 1 11 11 THR HA H 1 4.379 0.001 . 1 . . . . A 11 THR HA . 31118 1 89 . 1 . 1 11 11 THR HB H 1 4.232 0.000 . 1 . . . . A 11 THR HB . 31118 1 90 . 1 . 1 11 11 THR HG21 H 1 1.144 0.001 . 1 . . . . A 11 THR HG21 . 31118 1 91 . 1 . 1 11 11 THR HG22 H 1 1.144 0.001 . 1 . . . . A 11 THR HG22 . 31118 1 92 . 1 . 1 11 11 THR HG23 H 1 1.144 0.001 . 1 . . . . A 11 THR HG23 . 31118 1 93 . 1 . 1 12 12 LEU H H 1 7.416 0.001 . 1 . . . . A 12 LEU H . 31118 1 94 . 1 . 1 12 12 LEU HA H 1 4.463 0.002 . 1 . . . . A 12 LEU HA . 31118 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.598 0.002 . 2 . . . . A 12 LEU HB2 . 31118 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.410 0.004 . 2 . . . . A 12 LEU HB3 . 31118 1 97 . 1 . 1 12 12 LEU HG H 1 1.399 0.000 . 1 . . . . A 12 LEU HG . 31118 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD11 . 31118 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD12 . 31118 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD13 . 31118 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD21 . 31118 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD22 . 31118 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD23 . 31118 1 104 . 1 . 1 13 13 LYS H H 1 8.123 0.002 . 1 . . . . A 13 LYS H . 31118 1 105 . 1 . 1 13 13 LYS HA H 1 5.150 0.002 . 1 . . . . A 13 LYS HA . 31118 1 106 . 1 . 1 13 13 LYS HB2 H 1 1.893 0.001 . 2 . . . . A 13 LYS HB2 . 31118 1 107 . 1 . 1 13 13 LYS HB3 H 1 1.732 0.008 . 2 . . . . A 13 LYS HB3 . 31118 1 108 . 1 . 1 13 13 LYS HG2 H 1 1.460 0.000 . 2 . . . . A 13 LYS HG2 . 31118 1 109 . 1 . 1 13 13 LYS HG3 H 1 1.407 0.000 . 2 . . . . A 13 LYS HG3 . 31118 1 110 . 1 . 1 13 13 LYS HD2 H 1 1.682 0.000 . 1 . . . . A 13 LYS HD2 . 31118 1 111 . 1 . 1 13 13 LYS HD3 H 1 1.682 0.000 . 1 . . . . A 13 LYS HD3 . 31118 1 112 . 1 . 1 13 13 LYS HE2 H 1 3.021 0.001 . 2 . . . . A 13 LYS HE2 . 31118 1 113 . 1 . 1 13 13 LYS HE3 H 1 2.932 0.004 . 2 . . . . A 13 LYS HE3 . 31118 1 114 . 1 . 1 14 14 GLY H H 1 8.475 0.000 . 1 . . . . A 14 GLY H . 31118 1 115 . 1 . 1 14 14 GLY HA2 H 1 4.224 0.000 . 1 . . . . A 14 GLY HA2 . 31118 1 116 . 1 . 1 14 14 GLY HA3 H 1 4.224 0.000 . 1 . . . . A 14 GLY HA3 . 31118 1 117 . 1 . 1 15 15 GLU H H 1 8.404 0.001 . 1 . . . . A 15 GLU H . 31118 1 118 . 1 . 1 15 15 GLU HA H 1 5.599 0.002 . 1 . . . . A 15 GLU HA . 31118 1 119 . 1 . 1 15 15 GLU HB2 H 1 2.018 0.003 . 2 . . . . A 15 GLU HB2 . 31118 1 120 . 1 . 1 15 15 GLU HB3 H 1 1.931 0.002 . 2 . . . . A 15 GLU HB3 . 31118 1 121 . 1 . 1 15 15 GLU HG2 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG2 . 31118 1 122 . 1 . 1 15 15 GLU HG3 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG3 . 31118 1 123 . 1 . 1 16 16 THR H H 1 8.788 0.002 . 1 . . . . A 16 THR H . 31118 1 124 . 1 . 1 16 16 THR HA H 1 4.751 0.000 . 1 . . . . A 16 THR HA . 31118 1 125 . 1 . 1 16 16 THR HB H 1 3.938 0.002 . 1 . . . . A 16 THR HB . 31118 1 126 . 1 . 1 16 16 THR HG21 H 1 0.511 0.001 . 1 . . . . A 16 THR HG21 . 31118 1 127 . 1 . 1 16 16 THR HG22 H 1 0.511 0.001 . 1 . . . . A 16 THR HG22 . 31118 1 128 . 1 . 1 16 16 THR HG23 H 1 0.511 0.001 . 1 . . . . A 16 THR HG23 . 31118 1 129 . 1 . 1 17 17 THR H H 1 8.107 0.001 . 1 . . . . A 17 THR H . 31118 1 130 . 1 . 1 17 17 THR HA H 1 5.824 0.001 . 1 . . . . A 17 THR HA . 31118 1 131 . 1 . 1 17 17 THR HB H 1 4.313 0.000 . 1 . . . . A 17 THR HB . 31118 1 132 . 1 . 1 17 17 THR HG21 H 1 1.197 0.002 . 1 . . . . A 17 THR HG21 . 31118 1 133 . 1 . 1 17 17 THR HG22 H 1 1.197 0.002 . 1 . . . . A 17 THR HG22 . 31118 1 134 . 1 . 1 17 17 THR HG23 H 1 1.197 0.002 . 1 . . . . A 17 THR HG23 . 31118 1 135 . 1 . 1 18 18 THR H H 1 8.985 0.001 . 1 . . . . A 18 THR H . 31118 1 136 . 1 . 1 18 18 THR HA H 1 4.669 0.001 . 1 . . . . A 18 THR HA . 31118 1 137 . 1 . 1 18 18 THR HB H 1 3.841 0.001 . 1 . . . . A 18 THR HB . 31118 1 138 . 1 . 1 18 18 THR HG21 H 1 0.477 0.001 . 1 . . . . A 18 THR HG21 . 31118 1 139 . 1 . 1 18 18 THR HG22 H 1 0.477 0.001 . 1 . . . . A 18 THR HG22 . 31118 1 140 . 1 . 1 18 18 THR HG23 H 1 0.477 0.001 . 1 . . . . A 18 THR HG23 . 31118 1 141 . 1 . 1 19 19 GLU H H 1 7.954 0.001 . 1 . . . . A 19 GLU H . 31118 1 142 . 1 . 1 19 19 GLU HA H 1 5.182 0.001 . 1 . . . . A 19 GLU HA . 31118 1 143 . 1 . 1 19 19 GLU HB2 H 1 1.944 0.002 . 1 . . . . A 19 GLU HB2 . 31118 1 144 . 1 . 1 19 19 GLU HB3 H 1 1.944 0.002 . 1 . . . . A 19 GLU HB3 . 31118 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.292 0.005 . 2 . . . . A 19 GLU HG2 . 31118 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.059 0.001 . 2 . . . . A 19 GLU HG3 . 31118 1 147 . 1 . 1 20 20 ALA H H 1 9.347 0.001 . 1 . . . . A 20 ALA H . 31118 1 148 . 1 . 1 20 20 ALA HA H 1 4.942 0.001 . 1 . . . . A 20 ALA HA . 31118 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB1 . 31118 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB2 . 31118 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB3 . 31118 1 152 . 1 . 1 21 21 VAL H H 1 8.495 0.000 . 1 . . . . A 21 VAL H . 31118 1 153 . 1 . 1 21 21 VAL HA H 1 4.120 0.001 . 1 . . . . A 21 VAL HA . 31118 1 154 . 1 . 1 21 21 VAL HB H 1 2.200 0.001 . 1 . . . . A 21 VAL HB . 31118 1 155 . 1 . 1 21 21 VAL HG11 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG11 . 31118 1 156 . 1 . 1 21 21 VAL HG12 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG12 . 31118 1 157 . 1 . 1 21 21 VAL HG13 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG13 . 31118 1 158 . 1 . 1 21 21 VAL HG21 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG21 . 31118 1 159 . 1 . 1 21 21 VAL HG22 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG22 . 31118 1 160 . 1 . 1 21 21 VAL HG23 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG23 . 31118 1 161 . 1 . 1 22 22 ASP H H 1 7.343 0.000 . 1 . . . . A 22 ASP H . 31118 1 162 . 1 . 1 22 22 ASP HA H 1 4.762 0.002 . 1 . . . . A 22 ASP HA . 31118 1 163 . 1 . 1 22 22 ASP HB2 H 1 3.038 0.001 . 2 . . . . A 22 ASP HB2 . 31118 1 164 . 1 . 1 22 22 ASP HB3 H 1 2.990 0.002 . 2 . . . . A 22 ASP HB3 . 31118 1 165 . 1 . 1 23 23 ALA H H 1 8.291 0.000 . 1 . . . . A 23 ALA H . 31118 1 166 . 1 . 1 23 23 ALA HA H 1 3.319 0.001 . 1 . . . . A 23 ALA HA . 31118 1 167 . 1 . 1 23 23 ALA HB1 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB1 . 31118 1 168 . 1 . 1 23 23 ALA HB2 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB2 . 31118 1 169 . 1 . 1 23 23 ALA HB3 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB3 . 31118 1 170 . 1 . 1 24 24 ALA H H 1 8.059 0.000 . 1 . . . . A 24 ALA H . 31118 1 171 . 1 . 1 24 24 ALA HA H 1 3.978 0.000 . 1 . . . . A 24 ALA HA . 31118 1 172 . 1 . 1 24 24 ALA HB1 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB1 . 31118 1 173 . 1 . 1 24 24 ALA HB2 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB2 . 31118 1 174 . 1 . 1 24 24 ALA HB3 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB3 . 31118 1 175 . 1 . 1 25 25 THR H H 1 8.287 0.000 . 1 . . . . A 25 THR H . 31118 1 176 . 1 . 1 25 25 THR HA H 1 3.710 0.003 . 1 . . . . A 25 THR HA . 31118 1 177 . 1 . 1 25 25 THR HB H 1 4.029 0.001 . 1 . . . . A 25 THR HB . 31118 1 178 . 1 . 1 25 25 THR HG21 H 1 1.232 0.002 . 1 . . . . A 25 THR HG21 . 31118 1 179 . 1 . 1 25 25 THR HG22 H 1 1.232 0.002 . 1 . . . . A 25 THR HG22 . 31118 1 180 . 1 . 1 25 25 THR HG23 H 1 1.232 0.002 . 1 . . . . A 25 THR HG23 . 31118 1 181 . 1 . 1 26 26 ALA H H 1 7.173 0.002 . 1 . . . . A 26 ALA H . 31118 1 182 . 1 . 1 26 26 ALA HA H 1 3.102 0.001 . 1 . . . . A 26 ALA HA . 31118 1 183 . 1 . 1 26 26 ALA HB1 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB1 . 31118 1 184 . 1 . 1 26 26 ALA HB2 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB2 . 31118 1 185 . 1 . 1 26 26 ALA HB3 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB3 . 31118 1 186 . 1 . 1 27 27 GLU H H 1 8.357 0.000 . 1 . . . . A 27 GLU H . 31118 1 187 . 1 . 1 27 27 GLU HA H 1 2.679 0.000 . 1 . . . . A 27 GLU HA . 31118 1 188 . 1 . 1 27 27 GLU HB2 H 1 1.969 0.000 . 2 . . . . A 27 GLU HB2 . 31118 1 189 . 1 . 1 27 27 GLU HB3 H 1 1.848 0.001 . 2 . . . . A 27 GLU HB3 . 31118 1 190 . 1 . 1 27 27 GLU HG2 H 1 1.638 0.000 . 1 . . . . A 27 GLU HG2 . 31118 1 191 . 1 . 1 27 27 GLU HG3 H 1 1.638 0.000 . 1 . . . . A 27 GLU HG3 . 31118 1 192 . 1 . 1 28 28 LYS H H 1 6.950 0.000 . 1 . . . . A 28 LYS H . 31118 1 193 . 1 . 1 28 28 LYS HA H 1 3.743 0.002 . 1 . . . . A 28 LYS HA . 31118 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.833 0.002 . 1 . . . . A 28 LYS HB2 . 31118 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.833 0.002 . 1 . . . . A 28 LYS HB3 . 31118 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.528 0.000 . 2 . . . . A 28 LYS HG2 . 31118 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.337 0.001 . 2 . . . . A 28 LYS HG3 . 31118 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.611 0.001 . 1 . . . . A 28 LYS HD2 . 31118 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.611 0.001 . 1 . . . . A 28 LYS HD3 . 31118 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.897 0.001 . 1 . . . . A 28 LYS HE2 . 31118 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.897 0.001 . 1 . . . . A 28 LYS HE3 . 31118 1 202 . 1 . 1 29 29 VAL H H 1 7.316 0.000 . 1 . . . . A 29 VAL H . 31118 1 203 . 1 . 1 29 29 VAL HA H 1 3.616 0.001 . 1 . . . . A 29 VAL HA . 31118 1 204 . 1 . 1 29 29 VAL HB H 1 1.758 0.001 . 1 . . . . A 29 VAL HB . 31118 1 205 . 1 . 1 29 29 VAL HG11 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG11 . 31118 1 206 . 1 . 1 29 29 VAL HG12 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG12 . 31118 1 207 . 1 . 1 29 29 VAL HG13 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG13 . 31118 1 208 . 1 . 1 29 29 VAL HG21 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG21 . 31118 1 209 . 1 . 1 29 29 VAL HG22 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG22 . 31118 1 210 . 1 . 1 29 29 VAL HG23 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG23 . 31118 1 211 . 1 . 1 30 30 PHE H H 1 8.512 0.002 . 1 . . . . A 30 PHE H . 31118 1 212 . 1 . 1 30 30 PHE HA H 1 4.769 0.000 . 1 . . . . A 30 PHE HA . 31118 1 213 . 1 . 1 30 30 PHE HB2 H 1 3.357 0.002 . 2 . . . . A 30 PHE HB2 . 31118 1 214 . 1 . 1 30 30 PHE HB3 H 1 2.869 0.001 . 2 . . . . A 30 PHE HB3 . 31118 1 215 . 1 . 1 30 30 PHE HD1 H 1 6.551 0.000 . 3 . . . . A 30 PHE HD1 . 31118 1 216 . 1 . 1 30 30 PHE HD2 H 1 6.579 0.001 . 3 . . . . A 30 PHE HD2 . 31118 1 217 . 1 . 1 30 30 PHE HE1 H 1 7.083 0.003 . 1 . . . . A 30 PHE HE1 . 31118 1 218 . 1 . 1 30 30 PHE HE2 H 1 7.083 0.003 . 1 . . . . A 30 PHE HE2 . 31118 1 219 . 1 . 1 30 30 PHE HZ H 1 7.197 0.001 . 1 . . . . A 30 PHE HZ . 31118 1 220 . 1 . 1 31 31 LYS H H 1 9.116 0.000 . 1 . . . . A 31 LYS H . 31118 1 221 . 1 . 1 31 31 LYS HA H 1 4.107 0.001 . 1 . . . . A 31 LYS HA . 31118 1 222 . 1 . 1 31 31 LYS HB2 H 1 1.591 0.002 . 2 . . . . A 31 LYS HB2 . 31118 1 223 . 1 . 1 31 31 LYS HB3 H 1 1.563 0.001 . 2 . . . . A 31 LYS HB3 . 31118 1 224 . 1 . 1 31 31 LYS HG2 H 1 0.860 0.000 . 2 . . . . A 31 LYS HG2 . 31118 1 225 . 1 . 1 31 31 LYS HG3 H 1 0.518 0.002 . 2 . . . . A 31 LYS HG3 . 31118 1 226 . 1 . 1 31 31 LYS HD2 H 1 1.175 0.005 . 2 . . . . A 31 LYS HD2 . 31118 1 227 . 1 . 1 31 31 LYS HD3 H 1 1.021 0.004 . 2 . . . . A 31 LYS HD3 . 31118 1 228 . 1 . 1 31 31 LYS HE2 H 1 2.090 0.003 . 2 . . . . A 31 LYS HE2 . 31118 1 229 . 1 . 1 31 31 LYS HE3 H 1 1.731 0.003 . 2 . . . . A 31 LYS HE3 . 31118 1 230 . 1 . 1 32 32 GLN H H 1 7.391 0.000 . 1 . . . . A 32 GLN H . 31118 1 231 . 1 . 1 32 32 GLN HA H 1 4.005 0.001 . 1 . . . . A 32 GLN HA . 31118 1 232 . 1 . 1 32 32 GLN HB2 H 1 2.221 0.000 . 2 . . . . A 32 GLN HB2 . 31118 1 233 . 1 . 1 32 32 GLN HB3 H 1 2.189 0.000 . 2 . . . . A 32 GLN HB3 . 31118 1 234 . 1 . 1 32 32 GLN HG2 H 1 2.446 0.006 . 2 . . . . A 32 GLN HG2 . 31118 1 235 . 1 . 1 32 32 GLN HG3 H 1 2.402 0.003 . 2 . . . . A 32 GLN HG3 . 31118 1 236 . 1 . 1 32 32 GLN HE21 H 1 6.868 0.000 . 2 . . . . A 32 GLN HE21 . 31118 1 237 . 1 . 1 32 32 GLN HE22 H 1 7.941 0.000 . 2 . . . . A 32 GLN HE22 . 31118 1 238 . 1 . 1 33 33 TYR H H 1 8.093 0.000 . 1 . . . . A 33 TYR H . 31118 1 239 . 1 . 1 33 33 TYR HA H 1 4.263 0.001 . 1 . . . . A 33 TYR HA . 31118 1 240 . 1 . 1 33 33 TYR HB2 H 1 3.300 0.001 . 1 . . . . A 33 TYR HB2 . 31118 1 241 . 1 . 1 33 33 TYR HB3 H 1 3.300 0.001 . 1 . . . . A 33 TYR HB3 . 31118 1 242 . 1 . 1 33 33 TYR HD1 H 1 6.988 0.000 . 1 . . . . A 33 TYR HD1 . 31118 1 243 . 1 . 1 33 33 TYR HD2 H 1 6.988 0.000 . 1 . . . . A 33 TYR HD2 . 31118 1 244 . 1 . 1 33 33 TYR HE1 H 1 6.725 0.000 . 1 . . . . A 33 TYR HE1 . 31118 1 245 . 1 . 1 33 33 TYR HE2 H 1 6.725 0.000 . 1 . . . . A 33 TYR HE2 . 31118 1 246 . 1 . 1 34 34 ALA H H 1 9.181 0.000 . 1 . . . . A 34 ALA H . 31118 1 247 . 1 . 1 34 34 ALA HA H 1 3.721 0.000 . 1 . . . . A 34 ALA HA . 31118 1 248 . 1 . 1 34 34 ALA HB1 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB1 . 31118 1 249 . 1 . 1 34 34 ALA HB2 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB2 . 31118 1 250 . 1 . 1 34 34 ALA HB3 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB3 . 31118 1 251 . 1 . 1 35 35 ASN H H 1 8.624 0.001 . 1 . . . . A 35 ASN H . 31118 1 252 . 1 . 1 35 35 ASN HA H 1 4.580 0.001 . 1 . . . . A 35 ASN HA . 31118 1 253 . 1 . 1 35 35 ASN HB2 H 1 2.931 0.001 . 2 . . . . A 35 ASN HB2 . 31118 1 254 . 1 . 1 35 35 ASN HB3 H 1 2.909 0.000 . 2 . . . . A 35 ASN HB3 . 31118 1 255 . 1 . 1 35 35 ASN HD21 H 1 6.778 0.000 . 2 . . . . A 35 ASN HD21 . 31118 1 256 . 1 . 1 35 35 ASN HD22 H 1 8.082 0.000 . 2 . . . . A 35 ASN HD22 . 31118 1 257 . 1 . 1 36 36 ASP H H 1 8.948 0.000 . 1 . . . . A 36 ASP H . 31118 1 258 . 1 . 1 36 36 ASP HA H 1 4.400 0.001 . 1 . . . . A 36 ASP HA . 31118 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.774 0.002 . 2 . . . . A 36 ASP HB2 . 31118 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.574 0.002 . 2 . . . . A 36 ASP HB3 . 31118 1 261 . 1 . 1 37 37 ASN H H 1 7.421 0.000 . 1 . . . . A 37 ASN H . 31118 1 262 . 1 . 1 37 37 ASN HA H 1 4.649 0.002 . 1 . . . . A 37 ASN HA . 31118 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.784 0.001 . 2 . . . . A 37 ASN HB2 . 31118 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.146 0.000 . 2 . . . . A 37 ASN HB3 . 31118 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.368 0.000 . 2 . . . . A 37 ASN HD21 . 31118 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.800 0.000 . 2 . . . . A 37 ASN HD22 . 31118 1 267 . 1 . 1 38 38 GLY H H 1 7.749 0.001 . 1 . . . . A 38 GLY H . 31118 1 268 . 1 . 1 38 38 GLY HA2 H 1 4.037 0.001 . 2 . . . . A 38 GLY HA2 . 31118 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.858 0.000 . 2 . . . . A 38 GLY HA3 . 31118 1 270 . 1 . 1 39 39 VAL H H 1 8.194 0.000 . 1 . . . . A 39 VAL H . 31118 1 271 . 1 . 1 39 39 VAL HA H 1 4.128 0.002 . 1 . . . . A 39 VAL HA . 31118 1 272 . 1 . 1 39 39 VAL HB H 1 1.720 0.003 . 1 . . . . A 39 VAL HB . 31118 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG11 . 31118 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG12 . 31118 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG13 . 31118 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG21 . 31118 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG22 . 31118 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG23 . 31118 1 279 . 1 . 1 40 40 IAS H H 1 8.678 0.001 . 1 . . . . A 40 IAS H . 31118 1 280 . 1 . 1 40 40 IAS HA H 1 4.132 0.001 . 1 . . . . A 40 IAS HA . 31118 1 281 . 1 . 1 40 40 IAS HB2 H 1 3.145 0.003 . 2 . . . . A 40 IAS HB2 . 31118 1 282 . 1 . 1 40 40 IAS HB3 H 1 3.009 0.002 . 2 . . . . A 40 IAS HB3 . 31118 1 283 . 1 . 1 41 41 GLY H H 1 8.989 0.001 . 1 . . . . A 41 GLY H . 31118 1 284 . 1 . 1 41 41 GLY HA2 H 1 4.574 0.002 . 2 . . . . A 41 GLY HA2 . 31118 1 285 . 1 . 1 41 41 GLY HA3 H 1 3.242 0.000 . 2 . . . . A 41 GLY HA3 . 31118 1 286 . 1 . 1 42 42 GLU H H 1 8.483 0.001 . 1 . . . . A 42 GLU H . 31118 1 287 . 1 . 1 42 42 GLU HA H 1 4.798 0.003 . 1 . . . . A 42 GLU HA . 31118 1 288 . 1 . 1 42 42 GLU HB2 H 1 2.058 0.001 . 2 . . . . A 42 GLU HB2 . 31118 1 289 . 1 . 1 42 42 GLU HB3 H 1 1.961 0.002 . 2 . . . . A 42 GLU HB3 . 31118 1 290 . 1 . 1 42 42 GLU HG2 H 1 2.324 0.002 . 2 . . . . A 42 GLU HG2 . 31118 1 291 . 1 . 1 42 42 GLU HG3 H 1 2.216 0.001 . 2 . . . . A 42 GLU HG3 . 31118 1 292 . 1 . 1 43 43 TRP H H 1 9.346 0.001 . 1 . . . . A 43 TRP H . 31118 1 293 . 1 . 1 43 43 TRP HA H 1 5.258 0.000 . 1 . . . . A 43 TRP HA . 31118 1 294 . 1 . 1 43 43 TRP HB2 H 1 3.360 0.000 . 2 . . . . A 43 TRP HB2 . 31118 1 295 . 1 . 1 43 43 TRP HB3 H 1 3.150 0.000 . 2 . . . . A 43 TRP HB3 . 31118 1 296 . 1 . 1 43 43 TRP HD1 H 1 7.414 0.000 . 1 . . . . A 43 TRP HD1 . 31118 1 297 . 1 . 1 43 43 TRP HE1 H 1 11.310 0.000 . 1 . . . . A 43 TRP HE1 . 31118 1 298 . 1 . 1 43 43 TRP HE3 H 1 7.624 0.001 . 1 . . . . A 43 TRP HE3 . 31118 1 299 . 1 . 1 43 43 TRP HZ2 H 1 7.305 0.002 . 1 . . . . A 43 TRP HZ2 . 31118 1 300 . 1 . 1 43 43 TRP HZ3 H 1 6.596 0.000 . 1 . . . . A 43 TRP HZ3 . 31118 1 301 . 1 . 1 43 43 TRP HH2 H 1 6.714 0.002 . 1 . . . . A 43 TRP HH2 . 31118 1 302 . 1 . 1 44 44 THR H H 1 9.282 0.001 . 1 . . . . A 44 THR H . 31118 1 303 . 1 . 1 44 44 THR HA H 1 4.827 0.001 . 1 . . . . A 44 THR HA . 31118 1 304 . 1 . 1 44 44 THR HB H 1 4.234 0.000 . 1 . . . . A 44 THR HB . 31118 1 305 . 1 . 1 44 44 THR HG21 H 1 1.204 0.001 . 1 . . . . A 44 THR HG21 . 31118 1 306 . 1 . 1 44 44 THR HG22 H 1 1.204 0.001 . 1 . . . . A 44 THR HG22 . 31118 1 307 . 1 . 1 44 44 THR HG23 H 1 1.204 0.001 . 1 . . . . A 44 THR HG23 . 31118 1 308 . 1 . 1 45 45 TYR H H 1 8.576 0.000 . 1 . . . . A 45 TYR H . 31118 1 309 . 1 . 1 45 45 TYR HA H 1 4.974 0.000 . 1 . . . . A 45 TYR HA . 31118 1 310 . 1 . 1 45 45 TYR HB2 H 1 2.909 0.001 . 2 . . . . A 45 TYR HB2 . 31118 1 311 . 1 . 1 45 45 TYR HB3 H 1 2.517 0.002 . 2 . . . . A 45 TYR HB3 . 31118 1 312 . 1 . 1 45 45 TYR HD1 H 1 7.157 0.000 . 1 . . . . A 45 TYR HD1 . 31118 1 313 . 1 . 1 45 45 TYR HD2 H 1 7.157 0.000 . 1 . . . . A 45 TYR HD2 . 31118 1 314 . 1 . 1 45 45 TYR HE1 H 1 6.363 0.000 . 1 . . . . A 45 TYR HE1 . 31118 1 315 . 1 . 1 45 45 TYR HE2 H 1 6.363 0.000 . 1 . . . . A 45 TYR HE2 . 31118 1 316 . 1 . 1 46 46 ASP H H 1 7.602 0.001 . 1 . . . . A 46 ASP H . 31118 1 317 . 1 . 1 46 46 ASP HA H 1 4.596 0.000 . 1 . . . . A 46 ASP HA . 31118 1 318 . 1 . 1 46 46 ASP HB2 H 1 2.618 0.001 . 2 . . . . A 46 ASP HB2 . 31118 1 319 . 1 . 1 46 46 ASP HB3 H 1 2.272 0.002 . 2 . . . . A 46 ASP HB3 . 31118 1 320 . 1 . 1 47 47 ASP H H 1 8.595 0.002 . 1 . . . . A 47 ASP H . 31118 1 321 . 1 . 1 47 47 ASP HA H 1 4.165 0.002 . 1 . . . . A 47 ASP HA . 31118 1 322 . 1 . 1 47 47 ASP HB2 H 1 2.845 0.000 . 2 . . . . A 47 ASP HB2 . 31118 1 323 . 1 . 1 47 47 ASP HB3 H 1 2.532 0.002 . 2 . . . . A 47 ASP HB3 . 31118 1 324 . 1 . 1 48 48 ALA H H 1 8.354 0.000 . 1 . . . . A 48 ALA H . 31118 1 325 . 1 . 1 48 48 ALA HA H 1 4.124 0.000 . 1 . . . . A 48 ALA HA . 31118 1 326 . 1 . 1 48 48 ALA HB1 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB1 . 31118 1 327 . 1 . 1 48 48 ALA HB2 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB2 . 31118 1 328 . 1 . 1 48 48 ALA HB3 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB3 . 31118 1 329 . 1 . 1 49 49 THR H H 1 7.020 0.000 . 1 . . . . A 49 THR H . 31118 1 330 . 1 . 1 49 49 THR HA H 1 4.410 0.000 . 1 . . . . A 49 THR HA . 31118 1 331 . 1 . 1 49 49 THR HB H 1 4.412 0.000 . 1 . . . . A 49 THR HB . 31118 1 332 . 1 . 1 49 49 THR HG21 H 1 1.087 0.000 . 1 . . . . A 49 THR HG21 . 31118 1 333 . 1 . 1 49 49 THR HG22 H 1 1.087 0.000 . 1 . . . . A 49 THR HG22 . 31118 1 334 . 1 . 1 49 49 THR HG23 H 1 1.087 0.000 . 1 . . . . A 49 THR HG23 . 31118 1 335 . 1 . 1 50 50 LYS H H 1 7.876 0.002 . 1 . . . . A 50 LYS H . 31118 1 336 . 1 . 1 50 50 LYS HA H 1 4.215 0.002 . 1 . . . . A 50 LYS HA . 31118 1 337 . 1 . 1 50 50 LYS HB2 H 1 2.087 0.004 . 2 . . . . A 50 LYS HB2 . 31118 1 338 . 1 . 1 50 50 LYS HB3 H 1 2.016 0.005 . 2 . . . . A 50 LYS HB3 . 31118 1 339 . 1 . 1 50 50 LYS HG2 H 1 1.395 0.000 . 2 . . . . A 50 LYS HG2 . 31118 1 340 . 1 . 1 50 50 LYS HG3 H 1 1.234 0.002 . 2 . . . . A 50 LYS HG3 . 31118 1 341 . 1 . 1 50 50 LYS HD2 H 1 1.708 0.002 . 2 . . . . A 50 LYS HD2 . 31118 1 342 . 1 . 1 50 50 LYS HD3 H 1 1.415 0.003 . 2 . . . . A 50 LYS HD3 . 31118 1 343 . 1 . 1 50 50 LYS HE2 H 1 3.099 0.002 . 2 . . . . A 50 LYS HE2 . 31118 1 344 . 1 . 1 50 50 LYS HE3 H 1 2.975 0.003 . 2 . . . . A 50 LYS HE3 . 31118 1 345 . 1 . 1 51 51 THR H H 1 7.394 0.000 . 1 . . . . A 51 THR H . 31118 1 346 . 1 . 1 51 51 THR HA H 1 5.518 0.001 . 1 . . . . A 51 THR HA . 31118 1 347 . 1 . 1 51 51 THR HB H 1 3.778 0.001 . 1 . . . . A 51 THR HB . 31118 1 348 . 1 . 1 51 51 THR HG21 H 1 1.000 0.001 . 1 . . . . A 51 THR HG21 . 31118 1 349 . 1 . 1 51 51 THR HG22 H 1 1.000 0.001 . 1 . . . . A 51 THR HG22 . 31118 1 350 . 1 . 1 51 51 THR HG23 H 1 1.000 0.001 . 1 . . . . A 51 THR HG23 . 31118 1 351 . 1 . 1 52 52 PHE H H 1 10.372 0.002 . 1 . . . . A 52 PHE H . 31118 1 352 . 1 . 1 52 52 PHE HA H 1 5.657 0.002 . 1 . . . . A 52 PHE HA . 31118 1 353 . 1 . 1 52 52 PHE HB2 H 1 3.272 0.001 . 2 . . . . A 52 PHE HB2 . 31118 1 354 . 1 . 1 52 52 PHE HB3 H 1 3.196 0.001 . 2 . . . . A 52 PHE HB3 . 31118 1 355 . 1 . 1 52 52 PHE HD1 H 1 7.825 0.000 . 1 . . . . A 52 PHE HD1 . 31118 1 356 . 1 . 1 52 52 PHE HD2 H 1 7.825 0.000 . 1 . . . . A 52 PHE HD2 . 31118 1 357 . 1 . 1 52 52 PHE HE1 H 1 7.163 0.000 . 1 . . . . A 52 PHE HE1 . 31118 1 358 . 1 . 1 52 52 PHE HE2 H 1 7.163 0.000 . 1 . . . . A 52 PHE HE2 . 31118 1 359 . 1 . 1 52 52 PHE HZ H 1 7.005 0.001 . 1 . . . . A 52 PHE HZ . 31118 1 360 . 1 . 1 53 53 THR H H 1 9.100 0.000 . 1 . . . . A 53 THR H . 31118 1 361 . 1 . 1 53 53 THR HA H 1 5.194 0.002 . 1 . . . . A 53 THR HA . 31118 1 362 . 1 . 1 53 53 THR HB H 1 3.831 0.000 . 1 . . . . A 53 THR HB . 31118 1 363 . 1 . 1 53 53 THR HG21 H 1 0.983 0.001 . 1 . . . . A 53 THR HG21 . 31118 1 364 . 1 . 1 53 53 THR HG22 H 1 0.983 0.001 . 1 . . . . A 53 THR HG22 . 31118 1 365 . 1 . 1 53 53 THR HG23 H 1 0.983 0.001 . 1 . . . . A 53 THR HG23 . 31118 1 366 . 1 . 1 54 54 VAL H H 1 8.300 0.001 . 1 . . . . A 54 VAL H . 31118 1 367 . 1 . 1 54 54 VAL HA H 1 4.599 0.001 . 1 . . . . A 54 VAL HA . 31118 1 368 . 1 . 1 54 54 VAL HB H 1 -0.144 0.002 . 1 . . . . A 54 VAL HB . 31118 1 369 . 1 . 1 54 54 VAL HG11 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG11 . 31118 1 370 . 1 . 1 54 54 VAL HG12 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG12 . 31118 1 371 . 1 . 1 54 54 VAL HG13 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG13 . 31118 1 372 . 1 . 1 54 54 VAL HG21 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG21 . 31118 1 373 . 1 . 1 54 54 VAL HG22 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG22 . 31118 1 374 . 1 . 1 54 54 VAL HG23 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG23 . 31118 1 375 . 1 . 1 55 55 THR H H 1 8.381 0.001 . 1 . . . . A 55 THR H . 31118 1 376 . 1 . 1 55 55 THR HA H 1 4.739 0.002 . 1 . . . . A 55 THR HA . 31118 1 377 . 1 . 1 55 55 THR HB H 1 3.907 0.001 . 1 . . . . A 55 THR HB . 31118 1 378 . 1 . 1 55 55 THR HG21 H 1 1.261 0.001 . 1 . . . . A 55 THR HG21 . 31118 1 379 . 1 . 1 55 55 THR HG22 H 1 1.261 0.001 . 1 . . . . A 55 THR HG22 . 31118 1 380 . 1 . 1 55 55 THR HG23 H 1 1.261 0.001 . 1 . . . . A 55 THR HG23 . 31118 1 381 . 1 . 1 56 56 GLU H H 1 7.812 0.000 . 1 . . . . A 56 GLU H . 31118 1 382 . 1 . 1 56 56 GLU HA H 1 4.335 0.001 . 1 . . . . A 56 GLU HA . 31118 1 383 . 1 . 1 56 56 GLU HB2 H 1 2.206 0.000 . 2 . . . . A 56 GLU HB2 . 31118 1 384 . 1 . 1 56 56 GLU HB3 H 1 1.921 0.000 . 2 . . . . A 56 GLU HB3 . 31118 1 385 . 1 . 1 56 56 GLU HG2 H 1 2.259 0.000 . 1 . . . . A 56 GLU HG2 . 31118 1 386 . 1 . 1 56 56 GLU HG3 H 1 2.259 0.000 . 1 . . . . A 56 GLU HG3 . 31118 1 stop_ save_