################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18998 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 NOESY' . . . 18998 1 2 '2D 1H-1H TOCSY' . . . 18998 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 ILE H H 1 9.119 0.020 . . . . . A 2 ILE H . 18998 1 2 . 1 1 2 2 ILE HA H 1 4.161 0.020 . . . . . A 2 ILE HA . 18998 1 3 . 1 1 2 2 ILE HB H 1 1.876 0.020 . . . . . A 2 ILE HB . 18998 1 4 . 1 1 2 2 ILE HG12 H 1 1.368 0.020 . . . . . A 2 ILE HG12 . 18998 1 5 . 1 1 2 2 ILE HG13 H 1 1.276 0.020 . . . . . A 2 ILE HG13 . 18998 1 6 . 1 1 2 2 ILE HG21 H 1 1.074 0.020 . . . . . A 2 ILE HG21 . 18998 1 7 . 1 1 2 2 ILE HG22 H 1 1.074 0.020 . . . . . A 2 ILE HG22 . 18998 1 8 . 1 1 2 2 ILE HG23 H 1 1.074 0.020 . . . . . A 2 ILE HG23 . 18998 1 9 . 1 1 2 2 ILE HD11 H 1 0.821 0.020 . . . . . A 2 ILE HD11 . 18998 1 10 . 1 1 2 2 ILE HD12 H 1 0.821 0.020 . . . . . A 2 ILE HD12 . 18998 1 11 . 1 1 2 2 ILE HD13 H 1 0.821 0.020 . . . . . A 2 ILE HD13 . 18998 1 12 . 1 1 3 3 ALA H H 1 8.456 0.020 . . . . . A 3 ALA H . 18998 1 13 . 1 1 3 3 ALA HA H 1 4.996 0.020 . . . . . A 3 ALA HA . 18998 1 14 . 1 1 3 3 ALA HB1 H 1 1.495 0.020 . . . . . A 3 ALA HB1 . 18998 1 15 . 1 1 3 3 ALA HB2 H 1 1.495 0.020 . . . . . A 3 ALA HB2 . 18998 1 16 . 1 1 3 3 ALA HB3 H 1 1.495 0.020 . . . . . A 3 ALA HB3 . 18998 1 17 . 1 1 4 4 HIS H H 1 8.397 0.020 . . . . . A 4 HIS H . 18998 1 18 . 1 1 4 4 HIS HA H 1 3.941 0.020 . . . . . A 4 HIS HA . 18998 1 19 . 1 1 4 4 HIS HB2 H 1 2.797 0.020 . . . . . A 4 HIS HB2 . 18998 1 20 . 1 1 4 4 HIS HB3 H 1 2.797 0.020 . . . . . A 4 HIS HB3 . 18998 1 21 . 1 1 5 5 TYR H H 1 7.986 0.020 . . . . . A 5 TYR H . 18998 1 22 . 1 1 5 5 TYR HA H 1 4.819 0.020 . . . . . A 5 TYR HA . 18998 1 23 . 1 1 5 5 TYR HB2 H 1 3.496 0.020 . . . . . A 5 TYR HB2 . 18998 1 24 . 1 1 5 5 TYR HB3 H 1 2.345 0.020 . . . . . A 5 TYR HB3 . 18998 1 25 . 1 1 5 5 TYR HE1 H 1 6.982 0.020 . . . . . A 5 TYR HE1 . 18998 1 26 . 1 1 5 5 TYR HE2 H 1 7.801 0.020 . . . . . A 5 TYR HE2 . 18998 1 27 . 1 1 6 6 GLY H H 1 8.644 0.020 . . . . . A 6 GLY H . 18998 1 28 . 1 1 6 6 GLY HA2 H 1 4.207 0.020 . . . . . A 6 GLY HA2 . 18998 1 29 . 1 1 6 6 GLY HA3 H 1 3.571 0.020 . . . . . A 6 GLY HA3 . 18998 1 30 . 1 1 7 7 LYS H H 1 8.343 0.020 . . . . . A 7 LYS H . 18998 1 31 . 1 1 7 7 LYS HA H 1 4.259 0.020 . . . . . A 7 LYS HA . 18998 1 32 . 1 1 7 7 LYS HB2 H 1 1.725 0.020 . . . . . A 7 LYS HB2 . 18998 1 33 . 1 1 7 7 LYS HG2 H 1 1.416 0.020 . . . . . A 7 LYS HG2 . 18998 1 34 . 1 1 7 7 LYS HG3 H 1 1.250 0.020 . . . . . A 7 LYS HG3 . 18998 1 35 . 1 1 7 7 LYS HD2 H 1 1.572 0.020 . . . . . A 7 LYS HD2 . 18998 1 36 . 1 1 7 7 LYS HD3 H 1 1.572 0.020 . . . . . A 7 LYS HD3 . 18998 1 37 . 1 1 7 7 LYS HE2 H 1 2.948 0.020 . . . . . A 7 LYS HE2 . 18998 1 38 . 1 1 7 7 LYS HE3 H 1 2.736 0.020 . . . . . A 7 LYS HE3 . 18998 1 39 . 1 1 7 7 LYS HZ1 H 1 7.477 0.020 . . . . . A 7 LYS HZ1 . 18998 1 40 . 1 1 7 7 LYS HZ2 H 1 7.477 0.020 . . . . . A 7 LYS HZ2 . 18998 1 41 . 1 1 7 7 LYS HZ3 H 1 7.477 0.020 . . . . . A 7 LYS HZ3 . 18998 1 42 . 1 1 8 8 CYS H H 1 8.496 0.020 . . . . . A 8 CYS H . 18998 1 43 . 1 1 8 8 CYS HA H 1 4.849 0.020 . . . . . A 8 CYS HA . 18998 1 44 . 1 1 8 8 CYS HB2 H 1 3.241 0.020 . . . . . A 8 CYS HB2 . 18998 1 45 . 1 1 8 8 CYS HB3 H 1 2.845 0.020 . . . . . A 8 CYS HB3 . 18998 1 46 . 1 1 9 9 ASP H H 1 8.434 0.020 . . . . . A 9 ASP H . 18998 1 47 . 1 1 9 9 ASP HA H 1 5.022 0.020 . . . . . A 9 ASP HA . 18998 1 48 . 1 1 9 9 ASP HB2 H 1 2.811 0.020 . . . . . A 9 ASP HB2 . 18998 1 49 . 1 1 9 9 ASP HB3 H 1 2.811 0.020 . . . . . A 9 ASP HB3 . 18998 1 50 . 1 1 10 10 GLY H H 1 8.437 0.020 . . . . . A 10 GLY H . 18998 1 51 . 1 1 10 10 GLY HA2 H 1 4.288 0.020 . . . . . A 10 GLY HA2 . 18998 1 52 . 1 1 10 10 GLY HA3 H 1 3.933 0.020 . . . . . A 10 GLY HA3 . 18998 1 53 . 1 1 11 11 ILE H H 1 8.348 0.020 . . . . . A 11 ILE H . 18998 1 54 . 1 1 11 11 ILE HA H 1 4.132 0.020 . . . . . A 11 ILE HA . 18998 1 55 . 1 1 11 11 ILE HB H 1 1.865 0.020 . . . . . A 11 ILE HB . 18998 1 56 . 1 1 11 11 ILE HG12 H 1 1.637 0.020 . . . . . A 11 ILE HG12 . 18998 1 57 . 1 1 11 11 ILE HG13 H 1 1.637 0.020 . . . . . A 11 ILE HG13 . 18998 1 58 . 1 1 11 11 ILE HG21 H 1 1.148 0.020 . . . . . A 11 ILE HG21 . 18998 1 59 . 1 1 11 11 ILE HG22 H 1 1.148 0.020 . . . . . A 11 ILE HG22 . 18998 1 60 . 1 1 11 11 ILE HG23 H 1 1.148 0.020 . . . . . A 11 ILE HG23 . 18998 1 61 . 1 1 11 11 ILE HD11 H 1 0.911 0.020 . . . . . A 11 ILE HD11 . 18998 1 62 . 1 1 11 11 ILE HD12 H 1 0.911 0.020 . . . . . A 11 ILE HD12 . 18998 1 63 . 1 1 11 11 ILE HD13 H 1 0.911 0.020 . . . . . A 11 ILE HD13 . 18998 1 64 . 1 1 12 12 ILE H H 1 8.123 0.020 . . . . . A 12 ILE H . 18998 1 65 . 1 1 12 12 ILE HA H 1 4.655 0.020 . . . . . A 12 ILE HA . 18998 1 66 . 1 1 12 12 ILE HB H 1 1.872 0.020 . . . . . A 12 ILE HB . 18998 1 67 . 1 1 12 12 ILE HG12 H 1 1.731 0.020 . . . . . A 12 ILE HG12 . 18998 1 68 . 1 1 12 12 ILE HG13 H 1 1.731 0.020 . . . . . A 12 ILE HG13 . 18998 1 69 . 1 1 12 12 ILE HD11 H 1 0.872 0.020 . . . . . A 12 ILE HD11 . 18998 1 70 . 1 1 12 12 ILE HD12 H 1 0.872 0.020 . . . . . A 12 ILE HD12 . 18998 1 71 . 1 1 12 12 ILE HD13 H 1 0.872 0.020 . . . . . A 12 ILE HD13 . 18998 1 72 . 1 1 13 13 ASN H H 1 9.607 0.020 . . . . . A 13 ASN H . 18998 1 73 . 1 1 13 13 ASN HA H 1 3.714 0.020 . . . . . A 13 ASN HA . 18998 1 74 . 1 1 13 13 ASN HB2 H 1 3.293 0.020 . . . . . A 13 ASN HB2 . 18998 1 75 . 1 1 13 13 ASN HB3 H 1 3.048 0.020 . . . . . A 13 ASN HB3 . 18998 1 76 . 1 1 13 13 ASN HD21 H 1 6.262 0.020 . . . . . A 13 ASN HD21 . 18998 1 77 . 1 1 13 13 ASN HD22 H 1 6.619 0.020 . . . . . A 13 ASN HD22 . 18998 1 78 . 1 1 14 14 GLN H H 1 8.644 0.020 . . . . . A 14 GLN H . 18998 1 79 . 1 1 14 14 GLN HA H 1 4.534 0.020 . . . . . A 14 GLN HA . 18998 1 80 . 1 1 14 14 GLN HB2 H 1 2.146 0.020 . . . . . A 14 GLN HB2 . 18998 1 81 . 1 1 14 14 GLN HB3 H 1 1.907 0.020 . . . . . A 14 GLN HB3 . 18998 1 82 . 1 1 14 14 GLN HG2 H 1 2.862 0.020 . . . . . A 14 GLN HG2 . 18998 1 83 . 1 1 14 14 GLN HG3 H 1 2.314 0.020 . . . . . A 14 GLN HG3 . 18998 1 84 . 1 1 14 14 GLN HE21 H 1 6.947 0.020 . . . . . A 14 GLN HE21 . 18998 1 85 . 1 1 14 14 GLN HE22 H 1 8.081 0.020 . . . . . A 14 GLN HE22 . 18998 1 86 . 1 1 15 15 CYS H H 1 8.744 0.020 . . . . . A 15 CYS H . 18998 1 87 . 1 1 15 15 CYS HA H 1 4.877 0.020 . . . . . A 15 CYS HA . 18998 1 88 . 1 1 15 15 CYS HB2 H 1 2.768 0.020 . . . . . A 15 CYS HB2 . 18998 1 89 . 1 1 15 15 CYS HB3 H 1 2.667 0.020 . . . . . A 15 CYS HB3 . 18998 1 90 . 1 1 16 16 CYS H H 1 10.077 0.020 . . . . . A 16 CYS H . 18998 1 91 . 1 1 16 16 CYS HA H 1 4.621 0.020 . . . . . A 16 CYS HA . 18998 1 92 . 1 1 16 16 CYS HB2 H 1 3.424 0.020 . . . . . A 16 CYS HB2 . 18998 1 93 . 1 1 16 16 CYS HB3 H 1 2.616 0.020 . . . . . A 16 CYS HB3 . 18998 1 94 . 1 1 17 17 ASP H H 1 8.683 0.020 . . . . . A 17 ASP H . 18998 1 95 . 1 1 17 17 ASP HA H 1 5.534 0.020 . . . . . A 17 ASP HA . 18998 1 96 . 1 1 17 17 ASP HB2 H 1 2.746 0.020 . . . . . A 17 ASP HB2 . 18998 1 97 . 1 1 17 17 ASP HB3 H 1 2.563 0.020 . . . . . A 17 ASP HB3 . 18998 1 98 . 1 1 19 19 TRP H H 1 8.781 0.020 . . . . . A 19 TRP H . 18998 1 99 . 1 1 19 19 TRP HA H 1 4.740 0.020 . . . . . A 19 TRP HA . 18998 1 100 . 1 1 19 19 TRP HB2 H 1 2.325 0.020 . . . . . A 19 TRP HB2 . 18998 1 101 . 1 1 19 19 TRP HB3 H 1 1.875 0.020 . . . . . A 19 TRP HB3 . 18998 1 102 . 1 1 19 19 TRP HD1 H 1 6.929 0.020 . . . . . A 19 TRP HD1 . 18998 1 103 . 1 1 19 19 TRP HE1 H 1 9.721 0.020 . . . . . A 19 TRP HE1 . 18998 1 104 . 1 1 20 20 LEU H H 1 8.713 0.020 . . . . . A 20 LEU H . 18998 1 105 . 1 1 20 20 LEU HA H 1 4.557 0.020 . . . . . A 20 LEU HA . 18998 1 106 . 1 1 20 20 LEU HB2 H 1 1.824 0.020 . . . . . A 20 LEU HB2 . 18998 1 107 . 1 1 20 20 LEU HB3 H 1 1.824 0.020 . . . . . A 20 LEU HB3 . 18998 1 108 . 1 1 20 20 LEU HG H 1 1.626 0.020 . . . . . A 20 LEU HG . 18998 1 109 . 1 1 20 20 LEU HD11 H 1 1.034 0.020 . . . . . A 20 LEU HD11 . 18998 1 110 . 1 1 20 20 LEU HD12 H 1 1.034 0.020 . . . . . A 20 LEU HD12 . 18998 1 111 . 1 1 20 20 LEU HD13 H 1 1.034 0.020 . . . . . A 20 LEU HD13 . 18998 1 112 . 1 1 20 20 LEU HD21 H 1 1.034 0.020 . . . . . A 20 LEU HD21 . 18998 1 113 . 1 1 20 20 LEU HD22 H 1 1.034 0.020 . . . . . A 20 LEU HD22 . 18998 1 114 . 1 1 20 20 LEU HD23 H 1 1.034 0.020 . . . . . A 20 LEU HD23 . 18998 1 115 . 1 1 21 21 CYS H H 1 8.047 0.020 . . . . . A 21 CYS H . 18998 1 116 . 1 1 21 21 CYS HA H 1 4.097 0.020 . . . . . A 21 CYS HA . 18998 1 117 . 1 1 21 21 CYS HB2 H 1 3.203 0.020 . . . . . A 21 CYS HB2 . 18998 1 118 . 1 1 21 21 CYS HB3 H 1 2.989 0.020 . . . . . A 21 CYS HB3 . 18998 1 119 . 1 1 22 22 THR H H 1 9.382 0.020 . . . . . A 22 THR H . 18998 1 120 . 1 1 22 22 THR HA H 1 4.434 0.020 . . . . . A 22 THR HA . 18998 1 121 . 1 1 22 22 THR HB H 1 4.308 0.020 . . . . . A 22 THR HB . 18998 1 122 . 1 1 22 22 THR HG21 H 1 1.264 0.020 . . . . . A 22 THR HG1 . 18998 1 123 . 1 1 22 22 THR HG22 H 1 1.264 0.020 . . . . . A 22 THR HG1 . 18998 1 124 . 1 1 22 22 THR HG23 H 1 1.264 0.020 . . . . . A 22 THR HG1 . 18998 1 125 . 1 1 23 23 PRO HA H 1 5.142 0.020 . . . . . A 23 PRO HA . 18998 1 126 . 1 1 23 23 PRO HB2 H 1 2.243 0.020 . . . . . A 23 PRO HB2 . 18998 1 127 . 1 1 23 23 PRO HB3 H 1 2.587 0.020 . . . . . A 23 PRO HB3 . 18998 1 128 . 1 1 23 23 PRO HG2 H 1 2.021 0.020 . . . . . A 23 PRO HG2 . 18998 1 129 . 1 1 23 23 PRO HG3 H 1 2.021 0.020 . . . . . A 23 PRO HG3 . 18998 1 130 . 1 1 23 23 PRO HD2 H 1 3.970 0.020 . . . . . A 23 PRO HD2 . 18998 1 131 . 1 1 23 23 PRO HD3 H 1 3.662 0.020 . . . . . A 23 PRO HD3 . 18998 1 132 . 1 1 24 24 PRO HA H 1 3.976 0.020 . . . . . A 24 PRO HA . 18998 1 133 . 1 1 24 24 PRO HB2 H 1 2.035 0.020 . . . . . A 24 PRO HB2 . 18998 1 134 . 1 1 24 24 PRO HB3 H 1 2.331 0.020 . . . . . A 24 PRO HB3 . 18998 1 135 . 1 1 24 24 PRO HG2 H 1 1.817 0.020 . . . . . A 24 PRO HG2 . 18998 1 136 . 1 1 24 24 PRO HG3 H 1 1.817 0.020 . . . . . A 24 PRO HG3 . 18998 1 137 . 1 1 24 24 PRO HD2 H 1 3.849 0.020 . . . . . A 24 PRO HD2 . 18998 1 138 . 1 1 24 24 PRO HD3 H 1 3.585 0.020 . . . . . A 24 PRO HD3 . 18998 1 139 . 1 1 25 25 ILE H H 1 7.997 0.020 . . . . . A 25 ILE H . 18998 1 140 . 1 1 25 25 ILE HA H 1 5.364 0.020 . . . . . A 25 ILE HA . 18998 1 141 . 1 1 25 25 ILE HB H 1 1.814 0.020 . . . . . A 25 ILE HB . 18998 1 142 . 1 1 25 25 ILE HG12 H 1 1.436 0.020 . . . . . A 25 ILE HG12 . 18998 1 143 . 1 1 25 25 ILE HG13 H 1 1.436 0.020 . . . . . A 25 ILE HG13 . 18998 1 144 . 1 1 25 25 ILE HG21 H 1 1.065 0.020 . . . . . A 25 ILE HG21 . 18998 1 145 . 1 1 25 25 ILE HG22 H 1 1.065 0.020 . . . . . A 25 ILE HG22 . 18998 1 146 . 1 1 25 25 ILE HG23 H 1 1.065 0.020 . . . . . A 25 ILE HG23 . 18998 1 147 . 1 1 25 25 ILE HD11 H 1 0.894 0.020 . . . . . A 25 ILE HD11 . 18998 1 148 . 1 1 25 25 ILE HD12 H 1 0.894 0.020 . . . . . A 25 ILE HD12 . 18998 1 149 . 1 1 25 25 ILE HD13 H 1 0.894 0.020 . . . . . A 25 ILE HD13 . 18998 1 150 . 1 1 26 26 ILE H H 1 7.824 0.020 . . . . . A 26 ILE H . 18998 1 151 . 1 1 26 26 ILE HA H 1 4.389 0.020 . . . . . A 26 ILE HA . 18998 1 152 . 1 1 26 26 ILE HB H 1 1.908 0.020 . . . . . A 26 ILE HB . 18998 1 153 . 1 1 26 26 ILE HG12 H 1 1.397 0.020 . . . . . A 26 ILE HG12 . 18998 1 154 . 1 1 26 26 ILE HG13 H 1 1.397 0.020 . . . . . A 26 ILE HG13 . 18998 1 155 . 1 1 26 26 ILE HG21 H 1 1.046 0.020 . . . . . A 26 ILE HG21 . 18998 1 156 . 1 1 26 26 ILE HG22 H 1 1.046 0.020 . . . . . A 26 ILE HG22 . 18998 1 157 . 1 1 26 26 ILE HG23 H 1 1.046 0.020 . . . . . A 26 ILE HG23 . 18998 1 158 . 1 1 26 26 ILE HD11 H 1 0.862 0.020 . . . . . A 26 ILE HD11 . 18998 1 159 . 1 1 26 26 ILE HD12 H 1 0.862 0.020 . . . . . A 26 ILE HD12 . 18998 1 160 . 1 1 26 26 ILE HD13 H 1 0.862 0.020 . . . . . A 26 ILE HD13 . 18998 1 161 . 1 1 27 27 GLY H H 1 7.701 0.020 . . . . . A 27 GLY H . 18998 1 162 . 1 1 27 27 GLY HA2 H 1 4.100 0.020 . . . . . A 27 GLY HA2 . 18998 1 163 . 1 1 27 27 GLY HA3 H 1 4.100 0.020 . . . . . A 27 GLY HA3 . 18998 1 164 . 1 1 28 28 PHE H H 1 8.221 0.020 . . . . . A 28 PHE H . 18998 1 165 . 1 1 28 28 PHE HA H 1 5.485 0.020 . . . . . A 28 PHE HA . 18998 1 166 . 1 1 28 28 PHE HB2 H 1 2.746 0.020 . . . . . A 28 PHE HB2 . 18998 1 167 . 1 1 28 28 PHE HB3 H 1 2.610 0.020 . . . . . A 28 PHE HB3 . 18998 1 168 . 1 1 28 28 PHE HD1 H 1 7.304 0.020 . . . . . A 28 PHE HD1 . 18998 1 169 . 1 1 28 28 PHE HD2 H 1 7.304 0.020 . . . . . A 28 PHE HD2 . 18998 1 170 . 1 1 28 28 PHE HZ H 1 7.373 0.020 . . . . . A 28 PHE HZ . 18998 1 171 . 1 1 29 29 CYS H H 1 8.885 0.020 . . . . . A 29 CYS H . 18998 1 172 . 1 1 29 29 CYS HA H 1 4.845 0.020 . . . . . A 29 CYS HA . 18998 1 173 . 1 1 29 29 CYS HB2 H 1 2.974 0.020 . . . . . A 29 CYS HB2 . 18998 1 174 . 1 1 29 29 CYS HB3 H 1 2.763 0.020 . . . . . A 29 CYS HB3 . 18998 1 175 . 1 1 30 30 LEU H H 1 9.421 0.020 . . . . . A 30 LEU H . 18998 1 176 . 1 1 30 30 LEU HA H 1 4.683 0.020 . . . . . A 30 LEU HA . 18998 1 177 . 1 1 30 30 LEU HB2 H 1 1.583 0.020 . . . . . A 30 LEU HB2 . 18998 1 178 . 1 1 30 30 LEU HB3 H 1 1.583 0.020 . . . . . A 30 LEU HB3 . 18998 1 179 . 1 1 30 30 LEU HG H 1 1.458 0.020 . . . . . A 30 LEU HG . 18998 1 180 . 1 1 30 30 LEU HD11 H 1 0.887 0.020 . . . . . A 30 LEU HD11 . 18998 1 181 . 1 1 30 30 LEU HD12 H 1 0.887 0.020 . . . . . A 30 LEU HD12 . 18998 1 182 . 1 1 30 30 LEU HD13 H 1 0.887 0.020 . . . . . A 30 LEU HD13 . 18998 1 stop_ save_