################################### # 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 31142 _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' . . . 31142 1 2 '2D 1H-1H NOESY' . . . 31142 1 3 '2D 1H-1H NOESY' . . . 31142 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 4.101 0.020 . . . . . . A 1 ALA HA . 31142 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.536 0.020 . . . . . . A 1 ALA HB1 . 31142 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.536 0.020 . . . . . . A 1 ALA HB2 . 31142 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.536 0.020 . . . . . . A 1 ALA HB3 . 31142 1 5 . 1 . 1 2 2 MET H H 1 8.679 0.020 . . . . . . A 2 MET H . 31142 1 6 . 1 . 1 2 2 MET HA H 1 4.494 0.020 . . . . . . A 2 MET HA . 31142 1 7 . 1 . 1 2 2 MET HB2 H 1 2.048 0.020 . . . . . . A 2 MET HB2 . 31142 1 8 . 1 . 1 2 2 MET HB3 H 1 1.968 0.020 . . . . . . A 2 MET HB3 . 31142 1 9 . 1 . 1 2 2 MET HG2 H 1 2.536 0.020 . 2 . . . . A 2 MET HG2 . 31142 1 10 . 1 . 1 2 2 MET HG3 H 1 2.536 0.020 . 2 . . . . A 2 MET HG3 . 31142 1 11 . 1 . 1 3 3 ASP H H 1 8.453 0.020 . . . . . . A 3 ASP H . 31142 1 12 . 1 . 1 3 3 ASP HA H 1 4.725 0.020 . . . . . . A 3 ASP HA . 31142 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.699 0.020 . . . . . . A 3 ASP HB2 . 31142 1 14 . 1 . 1 3 3 ASP HB3 H 1 2.630 0.020 . . . . . . A 3 ASP HB3 . 31142 1 15 . 1 . 1 4 4 ILE H H 1 8.636 0.020 . . . . . . A 4 ILE H . 31142 1 16 . 1 . 1 4 4 ILE HA H 1 4.150 0.020 . . . . . . A 4 ILE HA . 31142 1 17 . 1 . 1 4 4 ILE HB H 1 1.565 0.020 . . . . . . A 4 ILE HB . 31142 1 18 . 1 . 1 4 4 ILE HG12 H 1 1.101 0.020 . 2 . . . . A 4 ILE HG12 . 31142 1 19 . 1 . 1 4 4 ILE HG13 H 1 1.101 0.020 . 2 . . . . A 4 ILE HG13 . 31142 1 20 . 1 . 1 4 4 ILE HG21 H 1 0.934 0.020 . . . . . . A 4 ILE HG21 . 31142 1 21 . 1 . 1 4 4 ILE HG22 H 1 0.934 0.020 . . . . . . A 4 ILE HG22 . 31142 1 22 . 1 . 1 4 4 ILE HG23 H 1 0.934 0.020 . . . . . . A 4 ILE HG23 . 31142 1 23 . 1 . 1 4 4 ILE HD11 H 1 0.847 0.020 . . . . . . A 4 ILE HD11 . 31142 1 24 . 1 . 1 4 4 ILE HD12 H 1 0.847 0.020 . . . . . . A 4 ILE HD12 . 31142 1 25 . 1 . 1 4 4 ILE HD13 H 1 0.847 0.020 . . . . . . A 4 ILE HD13 . 31142 1 26 . 1 . 1 5 5 LYS H H 1 8.140 0.020 . . . . . . A 5 LYS H . 31142 1 27 . 1 . 1 5 5 LYS HA H 1 4.859 0.020 . . . . . . A 5 LYS HA . 31142 1 28 . 1 . 1 5 5 LYS HB2 H 1 1.626 0.020 . 2 . . . . A 5 LYS HB2 . 31142 1 29 . 1 . 1 5 5 LYS HB3 H 1 1.626 0.020 . 2 . . . . A 5 LYS HB3 . 31142 1 30 . 1 . 1 5 5 LYS HG2 H 1 1.229 0.020 . 2 . . . . A 5 LYS HG2 . 31142 1 31 . 1 . 1 5 5 LYS HG3 H 1 1.229 0.020 . 2 . . . . A 5 LYS HG3 . 31142 1 32 . 1 . 1 5 5 LYS HD2 H 1 1.527 0.020 . 2 . . . . A 5 LYS HD2 . 31142 1 33 . 1 . 1 5 5 LYS HD3 H 1 1.527 0.020 . 2 . . . . A 5 LYS HD3 . 31142 1 34 . 1 . 1 5 5 LYS HE2 H 1 2.953 0.020 . 2 . . . . A 5 LYS HE2 . 31142 1 35 . 1 . 1 5 5 LYS HE3 H 1 2.953 0.020 . 2 . . . . A 5 LYS HE3 . 31142 1 36 . 1 . 1 6 6 CYS H H 1 8.120 0.020 . . . . . . A 6 CYS H . 31142 1 37 . 1 . 1 6 6 CYS HA H 1 4.587 0.020 . . . . . . A 6 CYS HA . 31142 1 38 . 1 . 1 6 6 CYS HB2 H 1 2.930 0.020 . . . . . . A 6 CYS HB2 . 31142 1 39 . 1 . 1 6 6 CYS HB3 H 1 2.709 0.020 . . . . . . A 6 CYS HB3 . 31142 1 40 . 1 . 1 7 7 GLY H H 1 8.577 0.020 . . . . . . A 7 GLY H . 31142 1 41 . 1 . 1 7 7 GLY HA2 H 1 3.890 0.020 . . . . . . A 7 GLY HA2 . 31142 1 42 . 1 . 1 7 7 GLY HA3 H 1 3.711 0.020 . . . . . . A 7 GLY HA3 . 31142 1 43 . 1 . 1 8 8 SER H H 1 9.709 0.020 . . . . . . A 8 SER H . 31142 1 44 . 1 . 1 8 8 SER HA H 1 4.043 0.020 . . . . . . A 8 SER HA . 31142 1 45 . 1 . 1 8 8 SER HB2 H 1 3.913 0.020 . 2 . . . . A 8 SER HB2 . 31142 1 46 . 1 . 1 8 8 SER HB3 H 1 3.913 0.020 . 2 . . . . A 8 SER HB3 . 31142 1 47 . 1 . 1 9 9 GLN H H 1 8.983 0.020 . . . . . . A 9 GLN H . 31142 1 48 . 1 . 1 9 9 GLN HA H 1 4.236 0.020 . . . . . . A 9 GLN HA . 31142 1 49 . 1 . 1 9 9 GLN HB2 H 1 2.204 0.020 . . . . . . A 9 GLN HB2 . 31142 1 50 . 1 . 1 9 9 GLN HB3 H 1 2.143 0.020 . . . . . . A 9 GLN HB3 . 31142 1 51 . 1 . 1 9 9 GLN HG2 H 1 2.627 0.020 . . . . . . A 9 GLN HG2 . 31142 1 52 . 1 . 1 9 9 GLN HG3 H 1 2.474 0.020 . . . . . . A 9 GLN HG3 . 31142 1 53 . 1 . 1 9 9 GLN HE21 H 1 7.385 0.020 . . . . . . A 9 GLN HE21 . 31142 1 54 . 1 . 1 9 9 GLN HE22 H 1 6.433 0.020 . . . . . . A 9 GLN HE22 . 31142 1 55 . 1 . 1 10 10 ALA H H 1 7.847 0.020 . . . . . . A 10 ALA H . 31142 1 56 . 1 . 1 10 10 ALA HA H 1 4.647 0.020 . . . . . . A 10 ALA HA . 31142 1 57 . 1 . 1 10 10 ALA HB1 H 1 0.985 0.020 . . . . . . A 10 ALA HB1 . 31142 1 58 . 1 . 1 10 10 ALA HB2 H 1 0.985 0.020 . . . . . . A 10 ALA HB2 . 31142 1 59 . 1 . 1 10 10 ALA HB3 H 1 0.985 0.020 . . . . . . A 10 ALA HB3 . 31142 1 60 . 1 . 1 11 11 GLY H H 1 8.160 0.020 . . . . . . A 11 GLY H . 31142 1 61 . 1 . 1 11 11 GLY HA2 H 1 3.860 0.020 . 2 . . . . A 11 GLY HA2 . 31142 1 62 . 1 . 1 11 11 GLY HA3 H 1 3.860 0.020 . 2 . . . . A 11 GLY HA3 . 31142 1 63 . 1 . 1 12 12 GLY H H 1 8.421 0.020 . . . . . . A 12 GLY H . 31142 1 64 . 1 . 1 12 12 GLY HA2 H 1 4.126 0.020 . . . . . . A 12 GLY HA2 . 31142 1 65 . 1 . 1 12 12 GLY HA3 H 1 3.323 0.020 . . . . . . A 12 GLY HA3 . 31142 1 66 . 1 . 1 13 13 LYS H H 1 6.809 0.020 . . . . . . A 13 LYS H . 31142 1 67 . 1 . 1 13 13 LYS HA H 1 4.036 0.020 . . . . . . A 13 LYS HA . 31142 1 68 . 1 . 1 13 13 LYS HB2 H 1 1.836 0.020 . 2 . . . . A 13 LYS HB2 . 31142 1 69 . 1 . 1 13 13 LYS HB3 H 1 1.836 0.020 . 2 . . . . A 13 LYS HB3 . 31142 1 70 . 1 . 1 13 13 LYS HG2 H 1 1.584 0.020 . 2 . . . . A 13 LYS HG2 . 31142 1 71 . 1 . 1 13 13 LYS HG3 H 1 1.584 0.020 . 2 . . . . A 13 LYS HG3 . 31142 1 72 . 1 . 1 13 13 LYS HD2 H 1 1.727 0.020 . 2 . . . . A 13 LYS HD2 . 31142 1 73 . 1 . 1 13 13 LYS HD3 H 1 1.727 0.020 . 2 . . . . A 13 LYS HD3 . 31142 1 74 . 1 . 1 13 13 LYS HE2 H 1 3.022 0.020 . 2 . . . . A 13 LYS HE2 . 31142 1 75 . 1 . 1 13 13 LYS HE3 H 1 3.022 0.020 . 2 . . . . A 13 LYS HE3 . 31142 1 76 . 1 . 1 14 14 LEU H H 1 8.638 0.020 . . . . . . A 14 LEU H . 31142 1 77 . 1 . 1 14 14 LEU HA H 1 4.349 0.020 . . . . . . A 14 LEU HA . 31142 1 78 . 1 . 1 14 14 LEU HB2 H 1 1.808 0.020 . 2 . . . . A 14 LEU HB2 . 31142 1 79 . 1 . 1 14 14 LEU HB3 H 1 1.808 0.020 . 2 . . . . A 14 LEU HB3 . 31142 1 80 . 1 . 1 14 14 LEU HG H 1 1.669 0.020 . . . . . . A 14 LEU HG . 31142 1 81 . 1 . 1 14 14 LEU HD11 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD11 . 31142 1 82 . 1 . 1 14 14 LEU HD12 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD12 . 31142 1 83 . 1 . 1 14 14 LEU HD13 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD13 . 31142 1 84 . 1 . 1 14 14 LEU HD21 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD21 . 31142 1 85 . 1 . 1 14 14 LEU HD22 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD22 . 31142 1 86 . 1 . 1 14 14 LEU HD23 H 1 0.981 0.020 . 2 . . . . A 14 LEU HD23 . 31142 1 87 . 1 . 1 15 15 CYS H H 1 8.912 0.020 . . . . . . A 15 CYS H . 31142 1 88 . 1 . 1 15 15 CYS HA H 1 4.632 0.020 . . . . . . A 15 CYS HA . 31142 1 89 . 1 . 1 15 15 CYS HB2 H 1 2.845 0.020 . . . . . . A 15 CYS HB2 . 31142 1 90 . 1 . 1 15 15 CYS HB3 H 1 2.797 0.020 . . . . . . A 15 CYS HB3 . 31142 1 91 . 1 . 1 16 16 PRO HA H 1 3.842 0.020 . . . . . . A 16 PRO HA . 31142 1 92 . 1 . 1 16 16 PRO HB2 H 1 2.297 0.020 . . . . . . A 16 PRO HB2 . 31142 1 93 . 1 . 1 16 16 PRO HB3 H 1 2.086 0.020 . . . . . . A 16 PRO HB3 . 31142 1 94 . 1 . 1 16 16 PRO HG2 H 1 1.885 0.020 . . . . . . A 16 PRO HG2 . 31142 1 95 . 1 . 1 16 16 PRO HG3 H 1 2.005 0.020 . . . . . . A 16 PRO HG3 . 31142 1 96 . 1 . 1 16 16 PRO HD2 H 1 3.566 0.020 . 2 . . . . A 16 PRO HD2 . 31142 1 97 . 1 . 1 16 16 PRO HD3 H 1 3.566 0.020 . 2 . . . . A 16 PRO HD3 . 31142 1 98 . 1 . 1 17 17 ASN H H 1 8.792 0.020 . . . . . . A 17 ASN H . 31142 1 99 . 1 . 1 17 17 ASN HA H 1 4.273 0.020 . . . . . . A 17 ASN HA . 31142 1 100 . 1 . 1 17 17 ASN HB2 H 1 2.614 0.020 . . . . . . A 17 ASN HB2 . 31142 1 101 . 1 . 1 17 17 ASN HB3 H 1 2.935 0.020 . . . . . . A 17 ASN HB3 . 31142 1 102 . 1 . 1 17 17 ASN HD21 H 1 7.487 0.020 . . . . . . A 17 ASN HD21 . 31142 1 103 . 1 . 1 17 17 ASN HD22 H 1 6.898 0.020 . . . . . . A 17 ASN HD22 . 31142 1 104 . 1 . 1 18 18 ASN H H 1 8.426 0.020 . . . . . . A 18 ASN H . 31142 1 105 . 1 . 1 18 18 ASN HA H 1 4.533 0.020 . . . . . . A 18 ASN HA . 31142 1 106 . 1 . 1 18 18 ASN HB2 H 1 3.071 0.020 . . . . . . A 18 ASN HB2 . 31142 1 107 . 1 . 1 18 18 ASN HB3 H 1 2.675 0.020 . . . . . . A 18 ASN HB3 . 31142 1 108 . 1 . 1 18 18 ASN HD21 H 1 7.535 0.020 . . . . . . A 18 ASN HD21 . 31142 1 109 . 1 . 1 18 18 ASN HD22 H 1 6.808 0.020 . . . . . . A 18 ASN HD22 . 31142 1 110 . 1 . 1 19 19 LEU H H 1 7.481 0.020 . . . . . . A 19 LEU H . 31142 1 111 . 1 . 1 19 19 LEU HA H 1 4.169 0.020 . . . . . . A 19 LEU HA . 31142 1 112 . 1 . 1 19 19 LEU HB2 H 1 1.676 0.020 . . . . . . A 19 LEU HB2 . 31142 1 113 . 1 . 1 19 19 LEU HB3 H 1 1.741 0.020 . . . . . . A 19 LEU HB3 . 31142 1 114 . 1 . 1 19 19 LEU HG H 1 1.461 0.020 . . . . . . A 19 LEU HG . 31142 1 115 . 1 . 1 19 19 LEU HD11 H 1 0.739 0.020 . . . . . . A 19 LEU HD11 . 31142 1 116 . 1 . 1 19 19 LEU HD12 H 1 0.739 0.020 . . . . . . A 19 LEU HD12 . 31142 1 117 . 1 . 1 19 19 LEU HD13 H 1 0.739 0.020 . . . . . . A 19 LEU HD13 . 31142 1 118 . 1 . 1 19 19 LEU HD21 H 1 0.798 0.020 . . . . . . A 19 LEU HD21 . 31142 1 119 . 1 . 1 19 19 LEU HD22 H 1 0.798 0.020 . . . . . . A 19 LEU HD22 . 31142 1 120 . 1 . 1 19 19 LEU HD23 H 1 0.798 0.020 . . . . . . A 19 LEU HD23 . 31142 1 121 . 1 . 1 20 20 CYS H H 1 8.187 0.020 . . . . . . A 20 CYS H . 31142 1 122 . 1 . 1 20 20 CYS HA H 1 4.600 0.020 . . . . . . A 20 CYS HA . 31142 1 123 . 1 . 1 20 20 CYS HB2 H 1 3.079 0.020 . . . . . . A 20 CYS HB2 . 31142 1 124 . 1 . 1 20 20 CYS HB3 H 1 3.716 0.020 . . . . . . A 20 CYS HB3 . 31142 1 125 . 1 . 1 21 21 CYS H H 1 8.301 0.020 . . . . . . A 21 CYS H . 31142 1 126 . 1 . 1 21 21 CYS HA H 1 5.217 0.020 . . . . . . A 21 CYS HA . 31142 1 127 . 1 . 1 21 21 CYS HB2 H 1 3.008 0.020 . . . . . . A 21 CYS HB2 . 31142 1 128 . 1 . 1 21 21 CYS HB3 H 1 2.938 0.020 . . . . . . A 21 CYS HB3 . 31142 1 129 . 1 . 1 22 22 SER H H 1 9.841 0.020 . . . . . . A 22 SER H . 31142 1 130 . 1 . 1 22 22 SER HA H 1 4.968 0.020 . . . . . . A 22 SER HA . 31142 1 131 . 1 . 1 22 22 SER HB2 H 1 4.404 0.020 . . . . . . A 22 SER HB2 . 31142 1 132 . 1 . 1 22 22 SER HB3 H 1 4.321 0.020 . . . . . . A 22 SER HB3 . 31142 1 133 . 1 . 1 23 23 GLN H H 1 9.186 0.020 . . . . . . A 23 GLN H . 31142 1 134 . 1 . 1 23 23 GLN HA H 1 3.938 0.020 . . . . . . A 23 GLN HA . 31142 1 135 . 1 . 1 23 23 GLN HB2 H 1 0.737 0.020 . . . . . . A 23 GLN HB2 . 31142 1 136 . 1 . 1 23 23 GLN HB3 H 1 1.311 0.020 . . . . . . A 23 GLN HB3 . 31142 1 137 . 1 . 1 23 23 GLN HG2 H 1 1.782 0.020 . . . . . . A 23 GLN HG2 . 31142 1 138 . 1 . 1 23 23 GLN HG3 H 1 1.361 0.020 . . . . . . A 23 GLN HG3 . 31142 1 139 . 1 . 1 23 23 GLN HE21 H 1 6.865 0.020 . . . . . . A 23 GLN HE21 . 31142 1 140 . 1 . 1 23 23 GLN HE22 H 1 6.628 0.020 . . . . . . A 23 GLN HE22 . 31142 1 141 . 1 . 1 24 24 TRP H H 1 7.167 0.020 . . . . . . A 24 TRP H . 31142 1 142 . 1 . 1 24 24 TRP HA H 1 4.728 0.020 . . . . . . A 24 TRP HA . 31142 1 143 . 1 . 1 24 24 TRP HB2 H 1 3.045 0.020 . . . . . . A 24 TRP HB2 . 31142 1 144 . 1 . 1 24 24 TRP HB3 H 1 3.741 0.020 . . . . . . A 24 TRP HB3 . 31142 1 145 . 1 . 1 24 24 TRP HD1 H 1 7.297 0.020 . . . . . . A 24 TRP HD1 . 31142 1 146 . 1 . 1 24 24 TRP HE1 H 1 10.157 0.020 . . . . . . A 24 TRP HE1 . 31142 1 147 . 1 . 1 24 24 TRP HE3 H 1 7.667 0.020 . . . . . . A 24 TRP HE3 . 31142 1 148 . 1 . 1 25 25 GLY H H 1 8.059 0.020 . . . . . . A 25 GLY H . 31142 1 149 . 1 . 1 25 25 GLY HA2 H 1 3.862 0.020 . . . . . . A 25 GLY HA2 . 31142 1 150 . 1 . 1 25 25 GLY HA3 H 1 3.592 0.020 . . . . . . A 25 GLY HA3 . 31142 1 151 . 1 . 1 26 26 PHE H H 1 7.339 0.020 . . . . . . A 26 PHE H . 31142 1 152 . 1 . 1 26 26 PHE HA H 1 5.563 0.020 . . . . . . A 26 PHE HA . 31142 1 153 . 1 . 1 26 26 PHE HB2 H 1 2.959 0.020 . . . . . . A 26 PHE HB2 . 31142 1 154 . 1 . 1 26 26 PHE HB3 H 1 3.469 0.020 . . . . . . A 26 PHE HB3 . 31142 1 155 . 1 . 1 26 26 PHE HD1 H 1 7.295 0.020 . 3 . . . . A 26 PHE HD1 . 31142 1 156 . 1 . 1 26 26 PHE HD2 H 1 7.295 0.020 . 3 . . . . A 26 PHE HD2 . 31142 1 157 . 1 . 1 26 26 PHE HE1 H 1 7.122 0.020 . 3 . . . . A 26 PHE HE1 . 31142 1 158 . 1 . 1 26 26 PHE HE2 H 1 7.122 0.020 . 3 . . . . A 26 PHE HE2 . 31142 1 159 . 1 . 1 27 27 CYS H H 1 8.666 0.020 . . . . . . A 27 CYS H . 31142 1 160 . 1 . 1 27 27 CYS HA H 1 5.760 0.020 . . . . . . A 27 CYS HA . 31142 1 161 . 1 . 1 27 27 CYS HB2 H 1 2.917 0.020 . . . . . . A 27 CYS HB2 . 31142 1 162 . 1 . 1 27 27 CYS HB3 H 1 2.826 0.020 . . . . . . A 27 CYS HB3 . 31142 1 163 . 1 . 1 28 28 GLY H H 1 9.188 0.020 . . . . . . A 28 GLY H . 31142 1 164 . 1 . 1 28 28 GLY HA2 H 1 3.459 0.020 . . . . . . A 28 GLY HA2 . 31142 1 165 . 1 . 1 28 28 GLY HA3 H 1 1.892 0.020 . . . . . . A 28 GLY HA3 . 31142 1 166 . 1 . 1 29 29 LEU H H 1 7.717 0.020 . . . . . . A 29 LEU H . 31142 1 167 . 1 . 1 29 29 LEU HA H 1 5.065 0.020 . . . . . . A 29 LEU HA . 31142 1 168 . 1 . 1 29 29 LEU HB2 H 1 1.592 0.020 . 2 . . . . A 29 LEU HB2 . 31142 1 169 . 1 . 1 29 29 LEU HB3 H 1 1.592 0.020 . 2 . . . . A 29 LEU HB3 . 31142 1 170 . 1 . 1 29 29 LEU HG H 1 1.529 0.020 . . . . . . A 29 LEU HG . 31142 1 171 . 1 . 1 29 29 LEU HD11 H 1 0.900 0.020 . . . . . . A 29 LEU HD11 . 31142 1 172 . 1 . 1 29 29 LEU HD12 H 1 0.900 0.020 . . . . . . A 29 LEU HD12 . 31142 1 173 . 1 . 1 29 29 LEU HD13 H 1 0.900 0.020 . . . . . . A 29 LEU HD13 . 31142 1 174 . 1 . 1 29 29 LEU HD21 H 1 1.084 0.020 . . . . . . A 29 LEU HD21 . 31142 1 175 . 1 . 1 29 29 LEU HD22 H 1 1.084 0.020 . . . . . . A 29 LEU HD22 . 31142 1 176 . 1 . 1 29 29 LEU HD23 H 1 1.084 0.020 . . . . . . A 29 LEU HD23 . 31142 1 177 . 1 . 1 30 30 GLY H H 1 7.873 0.020 . . . . . . A 30 GLY H . 31142 1 178 . 1 . 1 30 30 GLY HA2 H 1 3.943 0.020 . . . . . . A 30 GLY HA2 . 31142 1 179 . 1 . 1 30 30 GLY HA3 H 1 4.748 0.020 . . . . . . A 30 GLY HA3 . 31142 1 180 . 1 . 1 31 31 SER H H 1 9.015 0.020 . . . . . . A 31 SER H . 31142 1 181 . 1 . 1 31 31 SER HA H 1 4.135 0.020 . . . . . . A 31 SER HA . 31142 1 182 . 1 . 1 31 31 SER HB2 H 1 3.975 0.020 . 2 . . . . A 31 SER HB2 . 31142 1 183 . 1 . 1 31 31 SER HB3 H 1 3.975 0.020 . 2 . . . . A 31 SER HB3 . 31142 1 184 . 1 . 1 32 32 GLU H H 1 9.248 0.020 . . . . . . A 32 GLU H . 31142 1 185 . 1 . 1 32 32 GLU HA H 1 4.159 0.020 . . . . . . A 32 GLU HA . 31142 1 186 . 1 . 1 32 32 GLU HB2 H 1 2.009 0.020 . . . . . . A 32 GLU HB2 . 31142 1 187 . 1 . 1 32 32 GLU HB3 H 1 1.875 0.020 . . . . . . A 32 GLU HB3 . 31142 1 188 . 1 . 1 32 32 GLU HG2 H 1 2.272 0.020 . . . . . . A 32 GLU HG2 . 31142 1 189 . 1 . 1 32 32 GLU HG3 H 1 2.074 0.020 . . . . . . A 32 GLU HG3 . 31142 1 190 . 1 . 1 33 33 PHE H H 1 7.549 0.020 . . . . . . A 33 PHE H . 31142 1 191 . 1 . 1 33 33 PHE HA H 1 4.139 0.020 . . . . . . A 33 PHE HA . 31142 1 192 . 1 . 1 33 33 PHE HB2 H 1 2.659 0.020 . . . . . . A 33 PHE HB2 . 31142 1 193 . 1 . 1 33 33 PHE HB3 H 1 2.944 0.020 . . . . . . A 33 PHE HB3 . 31142 1 194 . 1 . 1 33 33 PHE HD1 H 1 7.361 0.020 . 3 . . . . A 33 PHE HD1 . 31142 1 195 . 1 . 1 33 33 PHE HD2 H 1 7.361 0.020 . 3 . . . . A 33 PHE HD2 . 31142 1 196 . 1 . 1 33 33 PHE HE1 H 1 7.270 0.020 . 3 . . . . A 33 PHE HE1 . 31142 1 197 . 1 . 1 33 33 PHE HE2 H 1 7.270 0.020 . 3 . . . . A 33 PHE HE2 . 31142 1 198 . 1 . 1 34 34 CYS H H 1 8.536 0.020 . . . . . . A 34 CYS H . 31142 1 199 . 1 . 1 34 34 CYS HA H 1 5.140 0.020 . . . . . . A 34 CYS HA . 31142 1 200 . 1 . 1 34 34 CYS HB2 H 1 3.534 0.020 . . . . . . A 34 CYS HB2 . 31142 1 201 . 1 . 1 34 34 CYS HB3 H 1 2.784 0.020 . . . . . . A 34 CYS HB3 . 31142 1 202 . 1 . 1 35 35 GLY H H 1 7.702 0.020 . . . . . . A 35 GLY H . 31142 1 203 . 1 . 1 35 35 GLY HA2 H 1 4.370 0.020 . . . . . . A 35 GLY HA2 . 31142 1 204 . 1 . 1 35 35 GLY HA3 H 1 3.858 0.020 . . . . . . A 35 GLY HA3 . 31142 1 205 . 1 . 1 36 36 GLY H H 1 8.504 0.020 . . . . . . A 36 GLY H . 31142 1 206 . 1 . 1 36 36 GLY HA2 H 1 3.803 0.020 . . . . . . A 36 GLY HA2 . 31142 1 207 . 1 . 1 36 36 GLY HA3 H 1 3.698 0.020 . . . . . . A 36 GLY HA3 . 31142 1 208 . 1 . 1 37 37 GLY H H 1 8.854 0.020 . . . . . . A 37 GLY H . 31142 1 209 . 1 . 1 37 37 GLY HA2 H 1 3.941 0.020 . . . . . . A 37 GLY HA2 . 31142 1 210 . 1 . 1 37 37 GLY HA3 H 1 3.575 0.020 . . . . . . A 37 GLY HA3 . 31142 1 211 . 1 . 1 38 38 CYS H H 1 7.782 0.020 . . . . . . A 38 CYS H . 31142 1 212 . 1 . 1 38 38 CYS HA H 1 4.508 0.020 . . . . . . A 38 CYS HA . 31142 1 213 . 1 . 1 38 38 CYS HB2 H 1 2.775 0.020 . 2 . . . . A 38 CYS HB2 . 31142 1 214 . 1 . 1 38 38 CYS HB3 H 1 2.775 0.020 . 2 . . . . A 38 CYS HB3 . 31142 1 215 . 1 . 1 39 39 GLN H H 1 9.932 0.020 . . . . . . A 39 GLN H . 31142 1 216 . 1 . 1 39 39 GLN HA H 1 4.385 0.020 . . . . . . A 39 GLN HA . 31142 1 217 . 1 . 1 39 39 GLN HB2 H 1 2.207 0.020 . . . . . . A 39 GLN HB2 . 31142 1 218 . 1 . 1 39 39 GLN HB3 H 1 1.620 0.020 . . . . . . A 39 GLN HB3 . 31142 1 219 . 1 . 1 39 39 GLN HG2 H 1 2.326 0.020 . . . . . . A 39 GLN HG2 . 31142 1 220 . 1 . 1 39 39 GLN HG3 H 1 2.261 0.020 . . . . . . A 39 GLN HG3 . 31142 1 221 . 1 . 1 39 39 GLN HE21 H 1 7.938 0.020 . . . . . . A 39 GLN HE21 . 31142 1 222 . 1 . 1 39 39 GLN HE22 H 1 8.038 0.020 . . . . . . A 39 GLN HE22 . 31142 1 223 . 1 . 1 40 40 SER H H 1 7.623 0.020 . . . . . . A 40 SER H . 31142 1 224 . 1 . 1 40 40 SER HA H 1 4.509 0.020 . . . . . . A 40 SER HA . 31142 1 225 . 1 . 1 40 40 SER HB2 H 1 4.308 0.020 . . . . . . A 40 SER HB2 . 31142 1 226 . 1 . 1 40 40 SER HB3 H 1 3.844 0.020 . . . . . . A 40 SER HB3 . 31142 1 227 . 1 . 1 41 41 GLY H H 1 8.831 0.020 . . . . . . A 41 GLY H . 31142 1 228 . 1 . 1 41 41 GLY HA2 H 1 4.364 0.020 . . . . . . A 41 GLY HA2 . 31142 1 229 . 1 . 1 41 41 GLY HA3 H 1 3.673 0.020 . . . . . . A 41 GLY HA3 . 31142 1 230 . 1 . 1 42 42 ALA H H 1 6.915 0.020 . . . . . . A 42 ALA H . 31142 1 231 . 1 . 1 42 42 ALA HA H 1 4.546 0.020 . . . . . . A 42 ALA HA . 31142 1 232 . 1 . 1 42 42 ALA HB1 H 1 1.344 0.020 . . . . . . A 42 ALA HB1 . 31142 1 233 . 1 . 1 42 42 ALA HB2 H 1 1.344 0.020 . . . . . . A 42 ALA HB2 . 31142 1 234 . 1 . 1 42 42 ALA HB3 H 1 1.344 0.020 . . . . . . A 42 ALA HB3 . 31142 1 235 . 1 . 1 43 43 CYS H H 1 8.293 0.020 . . . . . . A 43 CYS H . 31142 1 236 . 1 . 1 43 43 CYS HA H 1 4.788 0.020 . . . . . . A 43 CYS HA . 31142 1 237 . 1 . 1 43 43 CYS HB2 H 1 3.488 0.020 . . . . . . A 43 CYS HB2 . 31142 1 238 . 1 . 1 43 43 CYS HB3 H 1 2.592 0.020 . . . . . . A 43 CYS HB3 . 31142 1 239 . 1 . 1 44 44 SER H H 1 9.200 0.020 . . . . . . A 44 SER H . 31142 1 240 . 1 . 1 44 44 SER HA H 1 4.498 0.020 . . . . . . A 44 SER HA . 31142 1 241 . 1 . 1 44 44 SER HB2 H 1 3.894 0.020 . . . . . . A 44 SER HB2 . 31142 1 242 . 1 . 1 44 44 SER HB3 H 1 3.843 0.020 . . . . . . A 44 SER HB3 . 31142 1 243 . 1 . 1 45 45 THR H H 1 8.037 0.020 . . . . . . A 45 THR H . 31142 1 244 . 1 . 1 45 45 THR HA H 1 4.271 0.020 . . . . . . A 45 THR HA . 31142 1 245 . 1 . 1 45 45 THR HB H 1 4.227 0.020 . . . . . . A 45 THR HB . 31142 1 246 . 1 . 1 45 45 THR HG1 H 1 1.164 0.020 . . . . . . A 45 THR HG1 . 31142 1 stop_ save_