################################### # 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 31117 _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' . . . 31117 1 2 '2D 1H-1H COSY' . . . 31117 1 3 '2D 1H-1H NOESY' . . . 31117 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 4.176 0.002 . 1 . . . . A 1 MET HA . 31117 1 2 . 1 . 1 1 1 MET HB2 H 1 2.218 0.000 . 2 . . . . A 1 MET HB2 . 31117 1 3 . 1 . 1 1 1 MET HB3 H 1 2.104 0.000 . 2 . . . . A 1 MET HB3 . 31117 1 4 . 1 . 1 1 1 MET HG2 H 1 2.438 0.000 . 1 . . . . A 1 MET HG2 . 31117 1 5 . 1 . 1 1 1 MET HG3 H 1 2.438 0.000 . 1 . . . . A 1 MET HG3 . 31117 1 6 . 1 . 1 1 1 MET HE1 H 1 2.132 0.000 . 1 . . . . A 1 MET HE1 . 31117 1 7 . 1 . 1 1 1 MET HE2 H 1 2.132 0.000 . 1 . . . . A 1 MET HE2 . 31117 1 8 . 1 . 1 1 1 MET HE3 H 1 2.132 0.000 . 1 . . . . A 1 MET HE3 . 31117 1 9 . 1 . 1 2 2 GLN H H 1 8.379 0.000 . 1 . . . . A 2 GLN H . 31117 1 10 . 1 . 1 2 2 GLN HA H 1 4.984 0.001 . 1 . . . . A 2 GLN HA . 31117 1 11 . 1 . 1 2 2 GLN HB2 H 1 2.044 0.000 . 2 . . . . A 2 GLN HB2 . 31117 1 12 . 1 . 1 2 2 GLN HB3 H 1 1.999 0.000 . 2 . . . . A 2 GLN HB3 . 31117 1 13 . 1 . 1 2 2 GLN HG2 H 1 2.368 0.000 . 2 . . . . A 2 GLN HG2 . 31117 1 14 . 1 . 1 2 2 GLN HG3 H 1 2.128 0.000 . 2 . . . . A 2 GLN HG3 . 31117 1 15 . 1 . 1 2 2 GLN HE21 H 1 6.923 0.000 . 2 . . . . A 2 GLN HE21 . 31117 1 16 . 1 . 1 2 2 GLN HE22 H 1 7.855 0.000 . 2 . . . . A 2 GLN HE22 . 31117 1 17 . 1 . 1 3 3 TYR H H 1 9.124 0.002 . 1 . . . . A 3 TYR H . 31117 1 18 . 1 . 1 3 3 TYR HA H 1 5.370 0.001 . 1 . . . . A 3 TYR HA . 31117 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.391 0.000 . 2 . . . . A 3 TYR HB2 . 31117 1 20 . 1 . 1 3 3 TYR HB3 H 1 2.758 0.001 . 2 . . . . A 3 TYR HB3 . 31117 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.081 0.000 . 1 . . . . A 3 TYR HD1 . 31117 1 22 . 1 . 1 3 3 TYR HD2 H 1 7.081 0.000 . 1 . . . . A 3 TYR HD2 . 31117 1 23 . 1 . 1 3 3 TYR HE1 H 1 6.780 0.000 . 1 . . . . A 3 TYR HE1 . 31117 1 24 . 1 . 1 3 3 TYR HE2 H 1 6.780 0.000 . 1 . . . . A 3 TYR HE2 . 31117 1 25 . 1 . 1 4 4 LYS H H 1 9.089 0.001 . 1 . . . . A 4 LYS H . 31117 1 26 . 1 . 1 4 4 LYS HA H 1 5.218 0.000 . 1 . . . . A 4 LYS HA . 31117 1 27 . 1 . 1 4 4 LYS HB2 H 1 2.044 0.002 . 2 . . . . A 4 LYS HB2 . 31117 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.901 0.002 . 2 . . . . A 4 LYS HB3 . 31117 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.478 0.001 . 2 . . . . A 4 LYS HG2 . 31117 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.357 0.005 . 2 . . . . A 4 LYS HG3 . 31117 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.629 0.000 . 1 . . . . A 4 LYS HD2 . 31117 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.629 0.000 . 1 . . . . A 4 LYS HD3 . 31117 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.856 0.000 . 2 . . . . A 4 LYS HE2 . 31117 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.783 0.002 . 2 . . . . A 4 LYS HE3 . 31117 1 35 . 1 . 1 5 5 LEU H H 1 8.655 0.000 . 1 . . . . A 5 LEU H . 31117 1 36 . 1 . 1 5 5 LEU HA H 1 4.946 0.002 . 1 . . . . A 5 LEU HA . 31117 1 37 . 1 . 1 5 5 LEU HB2 H 1 0.808 0.000 . 2 . . . . A 5 LEU HB2 . 31117 1 38 . 1 . 1 5 5 LEU HB3 H 1 -1.137 0.001 . 2 . . . . A 5 LEU HB3 . 31117 1 39 . 1 . 1 5 5 LEU HG H 1 0.858 0.001 . 1 . . . . A 5 LEU HG . 31117 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.490 0.001 . 2 . . . . A 5 LEU HD11 . 31117 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.490 0.001 . 2 . . . . A 5 LEU HD12 . 31117 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.490 0.001 . 2 . . . . A 5 LEU HD13 . 31117 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.554 0.000 . 2 . . . . A 5 LEU HD21 . 31117 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.554 0.000 . 2 . . . . A 5 LEU HD22 . 31117 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.554 0.000 . 2 . . . . A 5 LEU HD23 . 31117 1 46 . 1 . 1 6 6 ILE H H 1 9.102 0.002 . 1 . . . . A 6 ILE H . 31117 1 47 . 1 . 1 6 6 ILE HA H 1 4.315 0.001 . 1 . . . . A 6 ILE HA . 31117 1 48 . 1 . 1 6 6 ILE HB H 1 1.970 0.002 . 1 . . . . A 6 ILE HB . 31117 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.420 0.000 . 2 . . . . A 6 ILE HG12 . 31117 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.090 0.005 . 2 . . . . A 6 ILE HG13 . 31117 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.817 0.002 . 1 . . . . A 6 ILE HG21 . 31117 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.817 0.002 . 1 . . . . A 6 ILE HG22 . 31117 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.817 0.002 . 1 . . . . A 6 ILE HG23 . 31117 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.787 0.003 . 1 . . . . A 6 ILE HD11 . 31117 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.787 0.003 . 1 . . . . A 6 ILE HD12 . 31117 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.787 0.003 . 1 . . . . A 6 ILE HD13 . 31117 1 57 . 1 . 1 7 7 LEU H H 1 8.756 0.000 . 1 . . . . A 7 LEU H . 31117 1 58 . 1 . 1 7 7 LEU HA H 1 4.521 0.000 . 1 . . . . A 7 LEU HA . 31117 1 59 . 1 . 1 7 7 LEU HB2 H 1 1.455 0.000 . 2 . . . . A 7 LEU HB2 . 31117 1 60 . 1 . 1 7 7 LEU HB3 H 1 1.374 0.000 . 2 . . . . A 7 LEU HB3 . 31117 1 61 . 1 . 1 7 7 LEU HG H 1 1.309 0.000 . 1 . . . . A 7 LEU HG . 31117 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD11 . 31117 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD12 . 31117 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD13 . 31117 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD21 . 31117 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD22 . 31117 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.761 0.000 . 1 . . . . A 7 LEU HD23 . 31117 1 68 . 1 . 1 8 8 ASN H H 1 9.080 0.001 . 1 . . . . A 8 ASN H . 31117 1 69 . 1 . 1 8 8 ASN HA H 1 5.283 0.000 . 1 . . . . A 8 ASN HA . 31117 1 70 . 1 . 1 8 8 ASN HB2 H 1 3.029 0.000 . 2 . . . . A 8 ASN HB2 . 31117 1 71 . 1 . 1 8 8 ASN HB3 H 1 2.601 0.001 . 2 . . . . A 8 ASN HB3 . 31117 1 72 . 1 . 1 8 8 ASN HD21 H 1 6.782 0.000 . 2 . . . . A 8 ASN HD21 . 31117 1 73 . 1 . 1 8 8 ASN HD22 H 1 7.233 0.000 . 2 . . . . A 8 ASN HD22 . 31117 1 74 . 1 . 1 9 9 GLY H H 1 7.893 0.001 . 1 . . . . A 9 GLY H . 31117 1 75 . 1 . 1 9 9 GLY HA2 H 1 4.303 0.000 . 2 . . . . A 9 GLY HA2 . 31117 1 76 . 1 . 1 9 9 GLY HA3 H 1 3.951 0.000 . 2 . . . . A 9 GLY HA3 . 31117 1 77 . 1 . 1 10 10 LYS H H 1 9.505 0.000 . 1 . . . . A 10 LYS H . 31117 1 78 . 1 . 1 10 10 LYS HA H 1 4.069 0.001 . 1 . . . . A 10 LYS HA . 31117 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.844 0.000 . 1 . . . . A 10 LYS HB2 . 31117 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.844 0.000 . 1 . . . . A 10 LYS HB3 . 31117 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.490 0.000 . 1 . . . . A 10 LYS HG2 . 31117 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.490 0.000 . 1 . . . . A 10 LYS HG3 . 31117 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.672 0.001 . 1 . . . . A 10 LYS HD2 . 31117 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.672 0.001 . 1 . . . . A 10 LYS HD3 . 31117 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.970 0.000 . 1 . . . . A 10 LYS HE2 . 31117 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.970 0.000 . 1 . . . . A 10 LYS HE3 . 31117 1 87 . 1 . 1 11 11 THR H H 1 8.795 0.001 . 1 . . . . A 11 THR H . 31117 1 88 . 1 . 1 11 11 THR HA H 1 4.397 0.001 . 1 . . . . A 11 THR HA . 31117 1 89 . 1 . 1 11 11 THR HB H 1 4.262 0.002 . 1 . . . . A 11 THR HB . 31117 1 90 . 1 . 1 11 11 THR HG21 H 1 1.143 0.001 . 1 . . . . A 11 THR HG21 . 31117 1 91 . 1 . 1 11 11 THR HG22 H 1 1.143 0.001 . 1 . . . . A 11 THR HG22 . 31117 1 92 . 1 . 1 11 11 THR HG23 H 1 1.143 0.001 . 1 . . . . A 11 THR HG23 . 31117 1 93 . 1 . 1 12 12 LEU H H 1 7.211 0.000 . 1 . . . . A 12 LEU H . 31117 1 94 . 1 . 1 12 12 LEU HA H 1 4.464 0.001 . 1 . . . . A 12 LEU HA . 31117 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.548 0.000 . 2 . . . . A 12 LEU HB2 . 31117 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.414 0.002 . 2 . . . . A 12 LEU HB3 . 31117 1 97 . 1 . 1 12 12 LEU HG H 1 1.413 0.000 . 1 . . . . A 12 LEU HG . 31117 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.784 0.000 . 2 . . . . A 12 LEU HD11 . 31117 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.784 0.000 . 2 . . . . A 12 LEU HD12 . 31117 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.784 0.000 . 2 . . . . A 12 LEU HD13 . 31117 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.896 0.000 . 2 . . . . A 12 LEU HD21 . 31117 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.896 0.000 . 2 . . . . A 12 LEU HD22 . 31117 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.896 0.000 . 2 . . . . A 12 LEU HD23 . 31117 1 104 . 1 . 1 13 13 LYS H H 1 8.131 0.001 . 1 . . . . A 13 LYS H . 31117 1 105 . 1 . 1 13 13 LYS HA H 1 5.142 0.001 . 1 . . . . A 13 LYS HA . 31117 1 106 . 1 . 1 13 13 LYS HB2 H 1 1.909 0.002 . 2 . . . . A 13 LYS HB2 . 31117 1 107 . 1 . 1 13 13 LYS HB3 H 1 1.732 0.001 . 2 . . . . A 13 LYS HB3 . 31117 1 108 . 1 . 1 13 13 LYS HG2 H 1 1.505 0.000 . 2 . . . . A 13 LYS HG2 . 31117 1 109 . 1 . 1 13 13 LYS HG3 H 1 1.460 0.000 . 2 . . . . A 13 LYS HG3 . 31117 1 110 . 1 . 1 13 13 LYS HD2 H 1 1.688 0.004 . 1 . . . . A 13 LYS HD2 . 31117 1 111 . 1 . 1 13 13 LYS HD3 H 1 1.688 0.004 . 1 . . . . A 13 LYS HD3 . 31117 1 112 . 1 . 1 13 13 LYS HE2 H 1 3.019 0.000 . 2 . . . . A 13 LYS HE2 . 31117 1 113 . 1 . 1 13 13 LYS HE3 H 1 2.953 0.000 . 2 . . . . A 13 LYS HE3 . 31117 1 114 . 1 . 1 14 14 GLY H H 1 8.512 0.000 . 1 . . . . A 14 GLY H . 31117 1 115 . 1 . 1 14 14 GLY HA2 H 1 4.219 0.000 . 1 . . . . A 14 GLY HA2 . 31117 1 116 . 1 . 1 14 14 GLY HA3 H 1 4.219 0.000 . 1 . . . . A 14 GLY HA3 . 31117 1 117 . 1 . 1 15 15 GLU H H 1 8.424 0.000 . 1 . . . . A 15 GLU H . 31117 1 118 . 1 . 1 15 15 GLU HA H 1 5.606 0.001 . 1 . . . . A 15 GLU HA . 31117 1 119 . 1 . 1 15 15 GLU HB2 H 1 2.019 0.000 . 2 . . . . A 15 GLU HB2 . 31117 1 120 . 1 . 1 15 15 GLU HB3 H 1 1.929 0.000 . 2 . . . . A 15 GLU HB3 . 31117 1 121 . 1 . 1 15 15 GLU HG2 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG2 . 31117 1 122 . 1 . 1 15 15 GLU HG3 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG3 . 31117 1 123 . 1 . 1 16 16 THR H H 1 8.807 0.001 . 1 . . . . A 16 THR H . 31117 1 124 . 1 . 1 16 16 THR HA H 1 4.747 0.000 . 1 . . . . A 16 THR HA . 31117 1 125 . 1 . 1 16 16 THR HB H 1 3.937 0.003 . 1 . . . . A 16 THR HB . 31117 1 126 . 1 . 1 16 16 THR HG21 H 1 0.468 0.002 . 1 . . . . A 16 THR HG21 . 31117 1 127 . 1 . 1 16 16 THR HG22 H 1 0.468 0.002 . 1 . . . . A 16 THR HG22 . 31117 1 128 . 1 . 1 16 16 THR HG23 H 1 0.468 0.002 . 1 . . . . A 16 THR HG23 . 31117 1 129 . 1 . 1 17 17 THR H H 1 8.098 0.000 . 1 . . . . A 17 THR H . 31117 1 130 . 1 . 1 17 17 THR HA H 1 5.819 0.000 . 1 . . . . A 17 THR HA . 31117 1 131 . 1 . 1 17 17 THR HB H 1 4.307 0.001 . 1 . . . . A 17 THR HB . 31117 1 132 . 1 . 1 17 17 THR HG21 H 1 1.198 0.001 . 1 . . . . A 17 THR HG21 . 31117 1 133 . 1 . 1 17 17 THR HG22 H 1 1.198 0.001 . 1 . . . . A 17 THR HG22 . 31117 1 134 . 1 . 1 17 17 THR HG23 H 1 1.198 0.001 . 1 . . . . A 17 THR HG23 . 31117 1 135 . 1 . 1 18 18 THR H H 1 8.998 0.000 . 1 . . . . A 18 THR H . 31117 1 136 . 1 . 1 18 18 THR HA H 1 4.677 0.001 . 1 . . . . A 18 THR HA . 31117 1 137 . 1 . 1 18 18 THR HB H 1 3.851 0.000 . 1 . . . . A 18 THR HB . 31117 1 138 . 1 . 1 18 18 THR HG21 H 1 0.492 0.001 . 1 . . . . A 18 THR HG21 . 31117 1 139 . 1 . 1 18 18 THR HG22 H 1 0.492 0.001 . 1 . . . . A 18 THR HG22 . 31117 1 140 . 1 . 1 18 18 THR HG23 H 1 0.492 0.001 . 1 . . . . A 18 THR HG23 . 31117 1 141 . 1 . 1 19 19 GLU H H 1 7.960 0.002 . 1 . . . . A 19 GLU H . 31117 1 142 . 1 . 1 19 19 GLU HA H 1 5.180 0.000 . 1 . . . . A 19 GLU HA . 31117 1 143 . 1 . 1 19 19 GLU HB2 H 1 1.950 0.000 . 1 . . . . A 19 GLU HB2 . 31117 1 144 . 1 . 1 19 19 GLU HB3 H 1 1.950 0.000 . 1 . . . . A 19 GLU HB3 . 31117 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.299 0.000 . 2 . . . . A 19 GLU HG2 . 31117 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.058 0.000 . 2 . . . . A 19 GLU HG3 . 31117 1 147 . 1 . 1 20 20 ALA H H 1 9.352 0.000 . 1 . . . . A 20 ALA H . 31117 1 148 . 1 . 1 20 20 ALA HA H 1 4.943 0.000 . 1 . . . . A 20 ALA HA . 31117 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.343 0.001 . 1 . . . . A 20 ALA HB1 . 31117 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.343 0.001 . 1 . . . . A 20 ALA HB2 . 31117 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.343 0.001 . 1 . . . . A 20 ALA HB3 . 31117 1 152 . 1 . 1 21 21 VAL H H 1 8.492 0.000 . 1 . . . . A 21 VAL H . 31117 1 153 . 1 . 1 21 21 VAL HA H 1 4.125 0.001 . 1 . . . . A 21 VAL HA . 31117 1 154 . 1 . 1 21 21 VAL HB H 1 2.202 0.000 . 1 . . . . A 21 VAL HB . 31117 1 155 . 1 . 1 21 21 VAL HG11 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG11 . 31117 1 156 . 1 . 1 21 21 VAL HG12 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG12 . 31117 1 157 . 1 . 1 21 21 VAL HG13 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG13 . 31117 1 158 . 1 . 1 21 21 VAL HG21 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG21 . 31117 1 159 . 1 . 1 21 21 VAL HG22 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG22 . 31117 1 160 . 1 . 1 21 21 VAL HG23 H 1 1.010 0.001 . 1 . . . . A 21 VAL HG23 . 31117 1 161 . 1 . 1 22 22 ASP H H 1 7.341 0.002 . 1 . . . . A 22 ASP H . 31117 1 162 . 1 . 1 22 22 ASP HA H 1 4.764 0.001 . 1 . . . . A 22 ASP HA . 31117 1 163 . 1 . 1 22 22 ASP HB2 H 1 3.042 0.001 . 2 . . . . A 22 ASP HB2 . 31117 1 164 . 1 . 1 22 22 ASP HB3 H 1 2.987 0.004 . 2 . . . . A 22 ASP HB3 . 31117 1 165 . 1 . 1 23 23 ALA H H 1 8.299 0.002 . 1 . . . . A 23 ALA H . 31117 1 166 . 1 . 1 23 23 ALA HA H 1 3.319 0.001 . 1 . . . . A 23 ALA HA . 31117 1 167 . 1 . 1 23 23 ALA HB1 H 1 1.187 0.001 . 1 . . . . A 23 ALA HB1 . 31117 1 168 . 1 . 1 23 23 ALA HB2 H 1 1.187 0.001 . 1 . . . . A 23 ALA HB2 . 31117 1 169 . 1 . 1 23 23 ALA HB3 H 1 1.187 0.001 . 1 . . . . A 23 ALA HB3 . 31117 1 170 . 1 . 1 24 24 ALA H H 1 8.062 0.001 . 1 . . . . A 24 ALA H . 31117 1 171 . 1 . 1 24 24 ALA HA H 1 3.974 0.000 . 1 . . . . A 24 ALA HA . 31117 1 172 . 1 . 1 24 24 ALA HB1 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB1 . 31117 1 173 . 1 . 1 24 24 ALA HB2 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB2 . 31117 1 174 . 1 . 1 24 24 ALA HB3 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB3 . 31117 1 175 . 1 . 1 25 25 THR H H 1 8.296 0.001 . 1 . . . . A 25 THR H . 31117 1 176 . 1 . 1 25 25 THR HA H 1 3.708 0.000 . 1 . . . . A 25 THR HA . 31117 1 177 . 1 . 1 25 25 THR HB H 1 4.030 0.001 . 1 . . . . A 25 THR HB . 31117 1 178 . 1 . 1 25 25 THR HG21 H 1 1.234 0.000 . 1 . . . . A 25 THR HG21 . 31117 1 179 . 1 . 1 25 25 THR HG22 H 1 1.234 0.000 . 1 . . . . A 25 THR HG22 . 31117 1 180 . 1 . 1 25 25 THR HG23 H 1 1.234 0.000 . 1 . . . . A 25 THR HG23 . 31117 1 181 . 1 . 1 26 26 ALA H H 1 7.166 0.001 . 1 . . . . A 26 ALA H . 31117 1 182 . 1 . 1 26 26 ALA HA H 1 3.101 0.001 . 1 . . . . A 26 ALA HA . 31117 1 183 . 1 . 1 26 26 ALA HB1 H 1 0.538 0.000 . 1 . . . . A 26 ALA HB1 . 31117 1 184 . 1 . 1 26 26 ALA HB2 H 1 0.538 0.000 . 1 . . . . A 26 ALA HB2 . 31117 1 185 . 1 . 1 26 26 ALA HB3 H 1 0.538 0.000 . 1 . . . . A 26 ALA HB3 . 31117 1 186 . 1 . 1 27 27 GLU H H 1 8.385 0.000 . 1 . . . . A 27 GLU H . 31117 1 187 . 1 . 1 27 27 GLU HA H 1 2.674 0.001 . 1 . . . . A 27 GLU HA . 31117 1 188 . 1 . 1 27 27 GLU HB2 H 1 1.977 0.000 . 2 . . . . A 27 GLU HB2 . 31117 1 189 . 1 . 1 27 27 GLU HB3 H 1 1.856 0.000 . 2 . . . . A 27 GLU HB3 . 31117 1 190 . 1 . 1 27 27 GLU HG2 H 1 1.623 0.000 . 1 . . . . A 27 GLU HG2 . 31117 1 191 . 1 . 1 27 27 GLU HG3 H 1 1.623 0.000 . 1 . . . . A 27 GLU HG3 . 31117 1 192 . 1 . 1 28 28 LYS H H 1 6.988 0.000 . 1 . . . . A 28 LYS H . 31117 1 193 . 1 . 1 28 28 LYS HA H 1 3.727 0.001 . 1 . . . . A 28 LYS HA . 31117 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.843 0.001 . 1 . . . . A 28 LYS HB2 . 31117 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.843 0.001 . 1 . . . . A 28 LYS HB3 . 31117 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.533 0.000 . 2 . . . . A 28 LYS HG2 . 31117 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.327 0.000 . 2 . . . . A 28 LYS HG3 . 31117 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.611 0.002 . 1 . . . . A 28 LYS HD2 . 31117 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.611 0.002 . 1 . . . . A 28 LYS HD3 . 31117 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.893 0.003 . 1 . . . . A 28 LYS HE2 . 31117 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.893 0.003 . 1 . . . . A 28 LYS HE3 . 31117 1 202 . 1 . 1 29 29 VAL H H 1 7.317 0.000 . 1 . . . . A 29 VAL H . 31117 1 203 . 1 . 1 29 29 VAL HA H 1 3.625 0.001 . 1 . . . . A 29 VAL HA . 31117 1 204 . 1 . 1 29 29 VAL HB H 1 1.762 0.001 . 1 . . . . A 29 VAL HB . 31117 1 205 . 1 . 1 29 29 VAL HG11 H 1 0.803 0.002 . 2 . . . . A 29 VAL HG11 . 31117 1 206 . 1 . 1 29 29 VAL HG12 H 1 0.803 0.002 . 2 . . . . A 29 VAL HG12 . 31117 1 207 . 1 . 1 29 29 VAL HG13 H 1 0.803 0.002 . 2 . . . . A 29 VAL HG13 . 31117 1 208 . 1 . 1 29 29 VAL HG21 H 1 0.913 0.000 . 2 . . . . A 29 VAL HG21 . 31117 1 209 . 1 . 1 29 29 VAL HG22 H 1 0.913 0.000 . 2 . . . . A 29 VAL HG22 . 31117 1 210 . 1 . 1 29 29 VAL HG23 H 1 0.913 0.000 . 2 . . . . A 29 VAL HG23 . 31117 1 211 . 1 . 1 30 30 PHE H H 1 8.508 0.000 . 1 . . . . A 30 PHE H . 31117 1 212 . 1 . 1 30 30 PHE HA H 1 4.790 0.000 . 1 . . . . A 30 PHE HA . 31117 1 213 . 1 . 1 30 30 PHE HB2 H 1 3.359 0.001 . 2 . . . . A 30 PHE HB2 . 31117 1 214 . 1 . 1 30 30 PHE HB3 H 1 2.848 0.000 . 2 . . . . A 30 PHE HB3 . 31117 1 215 . 1 . 1 30 30 PHE HD1 H 1 6.540 0.003 . 1 . . . . A 30 PHE HD1 . 31117 1 216 . 1 . 1 30 30 PHE HD2 H 1 6.540 0.003 . 1 . . . . A 30 PHE HD2 . 31117 1 217 . 1 . 1 30 30 PHE HE1 H 1 7.077 0.002 . 1 . . . . A 30 PHE HE1 . 31117 1 218 . 1 . 1 30 30 PHE HE2 H 1 7.077 0.002 . 1 . . . . A 30 PHE HE2 . 31117 1 219 . 1 . 1 30 30 PHE HZ H 1 7.191 0.001 . 1 . . . . A 30 PHE HZ . 31117 1 220 . 1 . 1 31 31 LYS H H 1 9.178 0.000 . 1 . . . . A 31 LYS H . 31117 1 221 . 1 . 1 31 31 LYS HA H 1 4.158 0.001 . 1 . . . . A 31 LYS HA . 31117 1 222 . 1 . 1 31 31 LYS HB2 H 1 1.689 0.002 . 2 . . . . A 31 LYS HB2 . 31117 1 223 . 1 . 1 31 31 LYS HB3 H 1 1.524 0.001 . 2 . . . . A 31 LYS HB3 . 31117 1 224 . 1 . 1 31 31 LYS HG2 H 1 0.790 0.000 . 2 . . . . A 31 LYS HG2 . 31117 1 225 . 1 . 1 31 31 LYS HG3 H 1 0.434 0.002 . 2 . . . . A 31 LYS HG3 . 31117 1 226 . 1 . 1 31 31 LYS HD2 H 1 1.049 0.000 . 2 . . . . A 31 LYS HD2 . 31117 1 227 . 1 . 1 31 31 LYS HD3 H 1 1.034 0.002 . 2 . . . . A 31 LYS HD3 . 31117 1 228 . 1 . 1 31 31 LYS HE2 H 1 1.797 0.003 . 2 . . . . A 31 LYS HE2 . 31117 1 229 . 1 . 1 31 31 LYS HE3 H 1 1.573 0.000 . 2 . . . . A 31 LYS HE3 . 31117 1 230 . 1 . 1 32 32 GLN H H 1 7.483 0.001 . 1 . . . . A 32 GLN H . 31117 1 231 . 1 . 1 32 32 GLN HA H 1 4.053 0.001 . 1 . . . . A 32 GLN HA . 31117 1 232 . 1 . 1 32 32 GLN HB2 H 1 2.256 0.000 . 2 . . . . A 32 GLN HB2 . 31117 1 233 . 1 . 1 32 32 GLN HB3 H 1 2.211 0.001 . 2 . . . . A 32 GLN HB3 . 31117 1 234 . 1 . 1 32 32 GLN HG2 H 1 2.446 0.001 . 1 . . . . A 32 GLN HG2 . 31117 1 235 . 1 . 1 32 32 GLN HG3 H 1 2.446 0.001 . 1 . . . . A 32 GLN HG3 . 31117 1 236 . 1 . 1 32 32 GLN HE21 H 1 6.900 0.000 . 2 . . . . A 32 GLN HE21 . 31117 1 237 . 1 . 1 32 32 GLN HE22 H 1 7.981 0.000 . 2 . . . . A 32 GLN HE22 . 31117 1 238 . 1 . 1 33 33 TYR H H 1 8.192 0.000 . 1 . . . . A 33 TYR H . 31117 1 239 . 1 . 1 33 33 TYR HA H 1 4.295 0.001 . 1 . . . . A 33 TYR HA . 31117 1 240 . 1 . 1 33 33 TYR HB2 H 1 3.317 0.001 . 1 . . . . A 33 TYR HB2 . 31117 1 241 . 1 . 1 33 33 TYR HB3 H 1 3.317 0.001 . 1 . . . . A 33 TYR HB3 . 31117 1 242 . 1 . 1 33 33 TYR HD1 H 1 6.989 0.000 . 1 . . . . A 33 TYR HD1 . 31117 1 243 . 1 . 1 33 33 TYR HD2 H 1 6.989 0.000 . 1 . . . . A 33 TYR HD2 . 31117 1 244 . 1 . 1 33 33 TYR HE1 H 1 6.737 0.000 . 1 . . . . A 33 TYR HE1 . 31117 1 245 . 1 . 1 33 33 TYR HE2 H 1 6.737 0.000 . 1 . . . . A 33 TYR HE2 . 31117 1 246 . 1 . 1 34 34 ALA H H 1 9.163 0.000 . 1 . . . . A 34 ALA H . 31117 1 247 . 1 . 1 34 34 ALA HA H 1 3.811 0.001 . 1 . . . . A 34 ALA HA . 31117 1 248 . 1 . 1 34 34 ALA HB1 H 1 1.851 0.001 . 1 . . . . A 34 ALA HB1 . 31117 1 249 . 1 . 1 34 34 ALA HB2 H 1 1.851 0.001 . 1 . . . . A 34 ALA HB2 . 31117 1 250 . 1 . 1 34 34 ALA HB3 H 1 1.851 0.001 . 1 . . . . A 34 ALA HB3 . 31117 1 251 . 1 . 1 35 35 ASN H H 1 8.311 0.000 . 1 . . . . A 35 ASN H . 31117 1 252 . 1 . 1 35 35 ASN HA H 1 4.450 0.000 . 1 . . . . A 35 ASN HA . 31117 1 253 . 1 . 1 35 35 ASN HB2 H 1 2.954 0.000 . 1 . . . . A 35 ASN HB2 . 31117 1 254 . 1 . 1 35 35 ASN HB3 H 1 2.954 0.000 . 1 . . . . A 35 ASN HB3 . 31117 1 255 . 1 . 1 35 35 ASN HD21 H 1 6.926 0.000 . 2 . . . . A 35 ASN HD21 . 31117 1 256 . 1 . 1 35 35 ASN HD22 H 1 7.589 0.000 . 2 . . . . A 35 ASN HD22 . 31117 1 257 . 1 . 1 36 36 ASP H H 1 8.964 0.001 . 1 . . . . A 36 ASP H . 31117 1 258 . 1 . 1 36 36 ASP HA H 1 4.364 0.002 . 1 . . . . A 36 ASP HA . 31117 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.728 0.000 . 2 . . . . A 36 ASP HB2 . 31117 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.579 0.003 . 2 . . . . A 36 ASP HB3 . 31117 1 261 . 1 . 1 37 37 ASN H H 1 7.385 0.000 . 1 . . . . A 37 ASN H . 31117 1 262 . 1 . 1 37 37 ASN HA H 1 4.616 0.002 . 1 . . . . A 37 ASN HA . 31117 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.686 0.001 . 2 . . . . A 37 ASN HB2 . 31117 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.104 0.001 . 2 . . . . A 37 ASN HB3 . 31117 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.326 0.000 . 2 . . . . A 37 ASN HD21 . 31117 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.673 0.000 . 2 . . . . A 37 ASN HD22 . 31117 1 267 . 1 . 1 38 38 GLY H H 1 7.832 0.000 . 1 . . . . A 38 GLY H . 31117 1 268 . 1 . 1 38 38 GLY HA2 H 1 3.941 0.000 . 1 . . . . A 38 GLY HA2 . 31117 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.941 0.000 . 1 . . . . A 38 GLY HA3 . 31117 1 270 . 1 . 1 39 39 VAL H H 1 8.178 0.001 . 1 . . . . A 39 VAL H . 31117 1 271 . 1 . 1 39 39 VAL HA H 1 4.156 0.002 . 1 . . . . A 39 VAL HA . 31117 1 272 . 1 . 1 39 39 VAL HB H 1 1.774 0.002 . 1 . . . . A 39 VAL HB . 31117 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.844 0.002 . 2 . . . . A 39 VAL HG11 . 31117 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.844 0.002 . 2 . . . . A 39 VAL HG12 . 31117 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.844 0.002 . 2 . . . . A 39 VAL HG13 . 31117 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.870 0.001 . 2 . . . . A 39 VAL HG21 . 31117 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.870 0.001 . 2 . . . . A 39 VAL HG22 . 31117 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.870 0.001 . 2 . . . . A 39 VAL HG23 . 31117 1 279 . 1 . 1 40 40 ASP H H 1 9.124 0.001 . 1 . . . . A 40 ASP H . 31117 1 280 . 1 . 1 40 40 ASP HA H 1 5.242 0.002 . 1 . . . . A 40 ASP HA . 31117 1 281 . 1 . 1 40 40 ASP HB2 H 1 2.874 0.001 . 2 . . . . A 40 ASP HB2 . 31117 1 282 . 1 . 1 40 40 ASP HB3 H 1 3.431 0.002 . 2 . . . . A 40 ASP HB3 . 31117 1 283 . 1 . 1 41 41 GLY HA2 H 1 4.671 0.000 . 2 . . . . A 41 GLY HA2 . 31117 1 284 . 1 . 1 41 41 GLY HA3 H 1 4.163 0.000 . 2 . . . . A 41 GLY HA3 . 31117 1 285 . 1 . 1 42 42 GLU H H 1 8.381 0.002 . 1 . . . . A 42 GLU H . 31117 1 286 . 1 . 1 42 42 GLU HA H 1 4.737 0.000 . 1 . . . . A 42 GLU HA . 31117 1 287 . 1 . 1 42 42 GLU HB2 H 1 2.113 0.000 . 2 . . . . A 42 GLU HB2 . 31117 1 288 . 1 . 1 42 42 GLU HB3 H 1 1.977 0.000 . 2 . . . . A 42 GLU HB3 . 31117 1 289 . 1 . 1 42 42 GLU HG2 H 1 2.377 0.002 . 2 . . . . A 42 GLU HG2 . 31117 1 290 . 1 . 1 42 42 GLU HG3 H 1 2.276 0.000 . 2 . . . . A 42 GLU HG3 . 31117 1 291 . 1 . 1 43 43 TRP H H 1 9.215 0.001 . 1 . . . . A 43 TRP H . 31117 1 292 . 1 . 1 43 43 TRP HA H 1 5.247 0.001 . 1 . . . . A 43 TRP HA . 31117 1 293 . 1 . 1 43 43 TRP HB2 H 1 3.369 0.000 . 2 . . . . A 43 TRP HB2 . 31117 1 294 . 1 . 1 43 43 TRP HB3 H 1 3.135 0.002 . 2 . . . . A 43 TRP HB3 . 31117 1 295 . 1 . 1 43 43 TRP HD1 H 1 7.308 0.000 . 1 . . . . A 43 TRP HD1 . 31117 1 296 . 1 . 1 43 43 TRP HE1 H 1 10.107 0.000 . 1 . . . . A 43 TRP HE1 . 31117 1 297 . 1 . 1 43 43 TRP HE3 H 1 7.623 0.001 . 1 . . . . A 43 TRP HE3 . 31117 1 298 . 1 . 1 43 43 TRP HZ2 H 1 7.327 0.000 . 1 . . . . A 43 TRP HZ2 . 31117 1 299 . 1 . 1 43 43 TRP HZ3 H 1 6.608 0.000 . 1 . . . . A 43 TRP HZ3 . 31117 1 300 . 1 . 1 43 43 TRP HH2 H 1 6.730 0.002 . 1 . . . . A 43 TRP HH2 . 31117 1 301 . 1 . 1 44 44 THR H H 1 9.296 0.001 . 1 . . . . A 44 THR H . 31117 1 302 . 1 . 1 44 44 THR HA H 1 4.826 0.001 . 1 . . . . A 44 THR HA . 31117 1 303 . 1 . 1 44 44 THR HB H 1 4.237 0.002 . 1 . . . . A 44 THR HB . 31117 1 304 . 1 . 1 44 44 THR HG21 H 1 1.210 0.002 . 1 . . . . A 44 THR HG21 . 31117 1 305 . 1 . 1 44 44 THR HG22 H 1 1.210 0.002 . 1 . . . . A 44 THR HG22 . 31117 1 306 . 1 . 1 44 44 THR HG23 H 1 1.210 0.002 . 1 . . . . A 44 THR HG23 . 31117 1 307 . 1 . 1 45 45 TYR H H 1 8.574 0.001 . 1 . . . . A 45 TYR H . 31117 1 308 . 1 . 1 45 45 TYR HA H 1 4.981 0.003 . 1 . . . . A 45 TYR HA . 31117 1 309 . 1 . 1 45 45 TYR HB2 H 1 2.904 0.000 . 2 . . . . A 45 TYR HB2 . 31117 1 310 . 1 . 1 45 45 TYR HB3 H 1 2.508 0.001 . 2 . . . . A 45 TYR HB3 . 31117 1 311 . 1 . 1 45 45 TYR HD1 H 1 7.150 0.000 . 1 . . . . A 45 TYR HD1 . 31117 1 312 . 1 . 1 45 45 TYR HD2 H 1 7.150 0.000 . 1 . . . . A 45 TYR HD2 . 31117 1 313 . 1 . 1 45 45 TYR HE1 H 1 6.360 0.000 . 1 . . . . A 45 TYR HE1 . 31117 1 314 . 1 . 1 45 45 TYR HE2 H 1 6.360 0.000 . 1 . . . . A 45 TYR HE2 . 31117 1 315 . 1 . 1 46 46 ASP H H 1 7.576 0.000 . 1 . . . . A 46 ASP H . 31117 1 316 . 1 . 1 46 46 ASP HA H 1 4.598 0.001 . 1 . . . . A 46 ASP HA . 31117 1 317 . 1 . 1 46 46 ASP HB2 H 1 2.612 0.000 . 2 . . . . A 46 ASP HB2 . 31117 1 318 . 1 . 1 46 46 ASP HB3 H 1 2.272 0.001 . 2 . . . . A 46 ASP HB3 . 31117 1 319 . 1 . 1 47 47 ASP H H 1 8.597 0.000 . 1 . . . . A 47 ASP H . 31117 1 320 . 1 . 1 47 47 ASP HA H 1 4.177 0.001 . 1 . . . . A 47 ASP HA . 31117 1 321 . 1 . 1 47 47 ASP HB2 H 1 2.844 0.001 . 2 . . . . A 47 ASP HB2 . 31117 1 322 . 1 . 1 47 47 ASP HB3 H 1 2.532 0.002 . 2 . . . . A 47 ASP HB3 . 31117 1 323 . 1 . 1 48 48 ALA H H 1 8.360 0.000 . 1 . . . . A 48 ALA H . 31117 1 324 . 1 . 1 48 48 ALA HA H 1 4.124 0.001 . 1 . . . . A 48 ALA HA . 31117 1 325 . 1 . 1 48 48 ALA HB1 H 1 1.515 0.001 . 1 . . . . A 48 ALA HB1 . 31117 1 326 . 1 . 1 48 48 ALA HB2 H 1 1.515 0.001 . 1 . . . . A 48 ALA HB2 . 31117 1 327 . 1 . 1 48 48 ALA HB3 H 1 1.515 0.001 . 1 . . . . A 48 ALA HB3 . 31117 1 328 . 1 . 1 49 49 THR H H 1 7.023 0.000 . 1 . . . . A 49 THR H . 31117 1 329 . 1 . 1 49 49 THR HA H 1 4.404 0.000 . 1 . . . . A 49 THR HA . 31117 1 330 . 1 . 1 49 49 THR HB H 1 4.420 0.000 . 1 . . . . A 49 THR HB . 31117 1 331 . 1 . 1 49 49 THR HG21 H 1 1.089 0.000 . 1 . . . . A 49 THR HG21 . 31117 1 332 . 1 . 1 49 49 THR HG22 H 1 1.089 0.000 . 1 . . . . A 49 THR HG22 . 31117 1 333 . 1 . 1 49 49 THR HG23 H 1 1.089 0.000 . 1 . . . . A 49 THR HG23 . 31117 1 334 . 1 . 1 50 50 LYS H H 1 7.875 0.000 . 1 . . . . A 50 LYS H . 31117 1 335 . 1 . 1 50 50 LYS HA H 1 4.214 0.000 . 1 . . . . A 50 LYS HA . 31117 1 336 . 1 . 1 50 50 LYS HB2 H 1 2.082 0.003 . 2 . . . . A 50 LYS HB2 . 31117 1 337 . 1 . 1 50 50 LYS HB3 H 1 2.004 0.002 . 2 . . . . A 50 LYS HB3 . 31117 1 338 . 1 . 1 50 50 LYS HG2 H 1 1.396 0.000 . 2 . . . . A 50 LYS HG2 . 31117 1 339 . 1 . 1 50 50 LYS HG3 H 1 1.232 0.000 . 2 . . . . A 50 LYS HG3 . 31117 1 340 . 1 . 1 50 50 LYS HD2 H 1 1.705 0.000 . 2 . . . . A 50 LYS HD2 . 31117 1 341 . 1 . 1 50 50 LYS HD3 H 1 1.414 0.000 . 2 . . . . A 50 LYS HD3 . 31117 1 342 . 1 . 1 50 50 LYS HE2 H 1 3.099 0.001 . 2 . . . . A 50 LYS HE2 . 31117 1 343 . 1 . 1 50 50 LYS HE3 H 1 2.971 0.000 . 2 . . . . A 50 LYS HE3 . 31117 1 344 . 1 . 1 51 51 THR H H 1 7.393 0.001 . 1 . . . . A 51 THR H . 31117 1 345 . 1 . 1 51 51 THR HA H 1 5.515 0.001 . 1 . . . . A 51 THR HA . 31117 1 346 . 1 . 1 51 51 THR HB H 1 3.779 0.001 . 1 . . . . A 51 THR HB . 31117 1 347 . 1 . 1 51 51 THR HG21 H 1 1.003 0.001 . 1 . . . . A 51 THR HG21 . 31117 1 348 . 1 . 1 51 51 THR HG22 H 1 1.003 0.001 . 1 . . . . A 51 THR HG22 . 31117 1 349 . 1 . 1 51 51 THR HG23 H 1 1.003 0.001 . 1 . . . . A 51 THR HG23 . 31117 1 350 . 1 . 1 52 52 PHE H H 1 10.363 0.002 . 1 . . . . A 52 PHE H . 31117 1 351 . 1 . 1 52 52 PHE HA H 1 5.653 0.000 . 1 . . . . A 52 PHE HA . 31117 1 352 . 1 . 1 52 52 PHE HB2 H 1 3.280 0.001 . 2 . . . . A 52 PHE HB2 . 31117 1 353 . 1 . 1 52 52 PHE HB3 H 1 3.187 0.001 . 2 . . . . A 52 PHE HB3 . 31117 1 354 . 1 . 1 52 52 PHE HD1 H 1 7.816 0.001 . 1 . . . . A 52 PHE HD1 . 31117 1 355 . 1 . 1 52 52 PHE HD2 H 1 7.816 0.001 . 1 . . . . A 52 PHE HD2 . 31117 1 356 . 1 . 1 52 52 PHE HE1 H 1 7.156 0.000 . 1 . . . . A 52 PHE HE1 . 31117 1 357 . 1 . 1 52 52 PHE HE2 H 1 7.156 0.000 . 1 . . . . A 52 PHE HE2 . 31117 1 358 . 1 . 1 52 52 PHE HZ H 1 6.998 0.000 . 1 . . . . A 52 PHE HZ . 31117 1 359 . 1 . 1 53 53 THR H H 1 9.117 0.001 . 1 . . . . A 53 THR H . 31117 1 360 . 1 . 1 53 53 THR HA H 1 5.167 0.001 . 1 . . . . A 53 THR HA . 31117 1 361 . 1 . 1 53 53 THR HB H 1 3.835 0.002 . 1 . . . . A 53 THR HB . 31117 1 362 . 1 . 1 53 53 THR HG21 H 1 0.988 0.001 . 1 . . . . A 53 THR HG21 . 31117 1 363 . 1 . 1 53 53 THR HG22 H 1 0.988 0.001 . 1 . . . . A 53 THR HG22 . 31117 1 364 . 1 . 1 53 53 THR HG23 H 1 0.988 0.001 . 1 . . . . A 53 THR HG23 . 31117 1 365 . 1 . 1 54 54 VAL H H 1 8.347 0.001 . 1 . . . . A 54 VAL H . 31117 1 366 . 1 . 1 54 54 VAL HA H 1 4.524 0.000 . 1 . . . . A 54 VAL HA . 31117 1 367 . 1 . 1 54 54 VAL HB H 1 0.063 0.002 . 1 . . . . A 54 VAL HB . 31117 1 368 . 1 . 1 54 54 VAL HG11 H 1 -0.368 0.001 . 2 . . . . A 54 VAL HG11 . 31117 1 369 . 1 . 1 54 54 VAL HG12 H 1 -0.368 0.001 . 2 . . . . A 54 VAL HG12 . 31117 1 370 . 1 . 1 54 54 VAL HG13 H 1 -0.368 0.001 . 2 . . . . A 54 VAL HG13 . 31117 1 371 . 1 . 1 54 54 VAL HG21 H 1 0.364 0.000 . 2 . . . . A 54 VAL HG21 . 31117 1 372 . 1 . 1 54 54 VAL HG22 H 1 0.364 0.000 . 2 . . . . A 54 VAL HG22 . 31117 1 373 . 1 . 1 54 54 VAL HG23 H 1 0.364 0.000 . 2 . . . . A 54 VAL HG23 . 31117 1 374 . 1 . 1 55 55 THR H H 1 8.360 0.001 . 1 . . . . A 55 THR H . 31117 1 375 . 1 . 1 55 55 THR HA H 1 4.736 0.000 . 1 . . . . A 55 THR HA . 31117 1 376 . 1 . 1 55 55 THR HB H 1 3.847 0.001 . 1 . . . . A 55 THR HB . 31117 1 377 . 1 . 1 55 55 THR HG21 H 1 1.263 0.001 . 1 . . . . A 55 THR HG21 . 31117 1 378 . 1 . 1 55 55 THR HG22 H 1 1.263 0.001 . 1 . . . . A 55 THR HG22 . 31117 1 379 . 1 . 1 55 55 THR HG23 H 1 1.263 0.001 . 1 . . . . A 55 THR HG23 . 31117 1 380 . 1 . 1 56 56 GLU H H 1 7.855 0.000 . 1 . . . . A 56 GLU H . 31117 1 381 . 1 . 1 56 56 GLU HA H 1 4.269 0.001 . 1 . . . . A 56 GLU HA . 31117 1 382 . 1 . 1 56 56 GLU HB2 H 1 2.053 0.000 . 2 . . . . A 56 GLU HB2 . 31117 1 383 . 1 . 1 56 56 GLU HB3 H 1 1.913 0.000 . 2 . . . . A 56 GLU HB3 . 31117 1 384 . 1 . 1 56 56 GLU HG2 H 1 2.149 0.000 . 1 . . . . A 56 GLU HG2 . 31117 1 385 . 1 . 1 56 56 GLU HG3 H 1 2.149 0.000 . 1 . . . . A 56 GLU HG3 . 31117 1 stop_ save_