################################### # 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 19032 _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-15N HSQC' . . . 19032 1 2 '2D 1H-1H TOCSY' . . . 19032 1 3 '2D 1H-1H NOESY' . . . 19032 1 4 '2D 1H-13C HSQC' . . . 19032 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 CYS H H 1 8.318 0.000 . 1 . . . A 2 CYS H . 19032 1 2 . 1 1 2 2 CYS HA H 1 5.023 0.000 . 1 . . . A 2 CYS HA . 19032 1 3 . 1 1 2 2 CYS HB2 H 1 3.244 0.000 . 2 . . . A 2 CYS HB2 . 19032 1 4 . 1 1 2 2 CYS HB3 H 1 3.401 0.000 . 2 . . . A 2 CYS HB3 . 19032 1 5 . 1 1 3 3 LEU H H 1 8.769 0.000 . 1 . . . A 3 LEU H . 19032 1 6 . 1 1 3 3 LEU HA H 1 4.481 0.000 . 1 . . . A 3 LEU HA . 19032 1 7 . 1 1 3 3 LEU HB2 H 1 1.666 0.000 . 2 . . . A 3 LEU HB2 . 19032 1 8 . 1 1 3 3 LEU HB3 H 1 1.873 0.000 . 2 . . . A 3 LEU HB3 . 19032 1 9 . 1 1 3 3 LEU HG H 1 1.463 0.000 . 1 . . . A 3 LEU HG . 19032 1 10 . 1 1 3 3 LEU HD11 H 1 0.926 0.000 . 1 . . . A 3 LEU HD11 . 19032 1 11 . 1 1 3 3 LEU HD12 H 1 0.926 0.000 . 1 . . . A 3 LEU HD12 . 19032 1 12 . 1 1 3 3 LEU HD13 H 1 0.926 0.000 . 1 . . . A 3 LEU HD13 . 19032 1 13 . 1 1 3 3 LEU HD21 H 1 1.043 0.000 . 1 . . . A 3 LEU HD21 . 19032 1 14 . 1 1 3 3 LEU HD22 H 1 1.043 0.000 . 1 . . . A 3 LEU HD22 . 19032 1 15 . 1 1 3 3 LEU HD23 H 1 1.043 0.000 . 1 . . . A 3 LEU HD23 . 19032 1 16 . 1 1 4 4 GLU H H 1 7.766 0.000 . 1 . . . A 4 GLU H . 19032 1 17 . 1 1 4 4 GLU HA H 1 4.263 0.000 . 1 . . . A 4 GLU HA . 19032 1 18 . 1 1 4 4 GLU HB2 H 1 1.917 0.000 . 2 . . . A 4 GLU HB2 . 19032 1 19 . 1 1 4 4 GLU HB3 H 1 2.357 0.000 . 2 . . . A 4 GLU HB3 . 19032 1 20 . 1 1 4 4 GLU HG2 H 1 2.565 0.000 . 2 . . . A 4 GLU HG2 . 19032 1 21 . 1 1 4 4 GLU HG3 H 1 2.660 0.000 . 2 . . . A 4 GLU HG3 . 19032 1 22 . 1 1 5 5 ILE H H 1 7.804 0.000 . 1 . . . A 5 ILE H . 19032 1 23 . 1 1 5 5 ILE HA H 1 3.338 0.000 . 1 . . . A 5 ILE HA . 19032 1 24 . 1 1 5 5 ILE HB H 1 1.451 0.000 . 1 . . . A 5 ILE HB . 19032 1 25 . 1 1 5 5 ILE HG12 H 1 0.772 0.000 . 2 . . . A 5 ILE HG12 . 19032 1 26 . 1 1 5 5 ILE HG13 H 1 0.644 0.000 . 2 . . . A 5 ILE HG13 . 19032 1 27 . 1 1 5 5 ILE HG21 H 1 0.333 0.000 . 1 . . . A 5 ILE HG21 . 19032 1 28 . 1 1 5 5 ILE HG22 H 1 0.333 0.000 . 1 . . . A 5 ILE HG22 . 19032 1 29 . 1 1 5 5 ILE HG23 H 1 0.333 0.000 . 1 . . . A 5 ILE HG23 . 19032 1 30 . 1 1 5 5 ILE HD11 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD11 . 19032 1 31 . 1 1 5 5 ILE HD12 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD12 . 19032 1 32 . 1 1 5 5 ILE HD13 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD13 . 19032 1 33 . 1 1 6 6 PHE H H 1 8.774 0.000 . 1 . . . A 6 PHE H . 19032 1 34 . 1 1 6 6 PHE HA H 1 3.754 0.000 . 1 . . . A 6 PHE HA . 19032 1 35 . 1 1 6 6 PHE HB2 H 1 2.945 0.000 . 2 . . . A 6 PHE HB2 . 19032 1 36 . 1 1 6 6 PHE HB3 H 1 3.238 0.000 . 2 . . . A 6 PHE HB3 . 19032 1 37 . 1 1 8 8 ALA H H 1 8.493 0.000 . 1 . . . A 8 ALA H . 19032 1 38 . 1 1 8 8 ALA HA H 1 4.900 0.000 . 1 . . . A 8 ALA HA . 19032 1 39 . 1 1 8 8 ALA HB1 H 1 1.638 0.000 . 1 . . . A 8 ALA HB1 . 19032 1 40 . 1 1 8 8 ALA HB2 H 1 1.638 0.000 . 1 . . . A 8 ALA HB2 . 19032 1 41 . 1 1 8 8 ALA HB3 H 1 1.638 0.000 . 1 . . . A 8 ALA HB3 . 19032 1 42 . 1 1 9 9 CYS H H 1 8.448 0.000 . 1 . . . A 9 CYS H . 19032 1 43 . 1 1 9 9 CYS HA H 1 4.900 0.000 . 1 . . . A 9 CYS HA . 19032 1 44 . 1 1 9 9 CYS HB2 H 1 3.052 0.000 . 2 . . . A 9 CYS HB2 . 19032 1 45 . 1 1 9 9 CYS HB3 H 1 3.218 0.000 . 2 . . . A 9 CYS HB3 . 19032 1 46 . 1 1 10 10 ASN H H 1 9.168 0.000 . 1 . . . A 10 ASN H . 19032 1 47 . 1 1 10 10 ASN HA H 1 5.231 0.000 . 1 . . . A 10 ASN HA . 19032 1 48 . 1 1 10 10 ASN HB2 H 1 2.798 0.000 . 2 . . . A 10 ASN HB2 . 19032 1 49 . 1 1 10 10 ASN HB3 H 1 3.045 0.000 . 2 . . . A 10 ASN HB3 . 19032 1 50 . 1 1 11 11 PRO HA H 1 3.944 0.000 . 1 . . . A 11 PRO HA . 19032 1 51 . 1 1 11 11 PRO HB2 H 1 2.298 0.000 . 2 . . . A 11 PRO HB2 . 19032 1 52 . 1 1 11 11 PRO HB3 H 1 2.222 0.000 . 2 . . . A 11 PRO HB3 . 19032 1 53 . 1 1 11 11 PRO HG2 H 1 2.074 0.000 . 2 . . . A 11 PRO HG2 . 19032 1 54 . 1 1 11 11 PRO HG3 H 1 2.145 0.000 . 2 . . . A 11 PRO HG3 . 19032 1 55 . 1 1 11 11 PRO HD2 H 1 3.287 0.000 . 2 . . . A 11 PRO HD2 . 19032 1 56 . 1 1 11 11 PRO HD3 H 1 3.287 0.000 . 2 . . . A 11 PRO HD3 . 19032 1 57 . 1 1 12 12 SER H H 1 7.916 0.000 . 1 . . . A 12 SER H . 19032 1 58 . 1 1 12 12 SER HA H 1 4.508 0.000 . 1 . . . A 12 SER HA . 19032 1 59 . 1 1 12 12 SER HB2 H 1 3.896 0.000 . 2 . . . A 12 SER HB2 . 19032 1 60 . 1 1 12 12 SER HB3 H 1 4.013 0.000 . 2 . . . A 12 SER HB3 . 19032 1 61 . 1 1 13 13 ASN H H 1 7.724 0.000 . 1 . . . A 13 ASN H . 19032 1 62 . 1 1 13 13 ASN HA H 1 4.743 0.000 . 1 . . . A 13 ASN HA . 19032 1 63 . 1 1 13 13 ASN HB2 H 1 2.698 0.000 . 2 . . . A 13 ASN HB2 . 19032 1 64 . 1 1 13 13 ASN HB3 H 1 2.755 0.000 . 2 . . . A 13 ASN HB3 . 19032 1 65 . 1 1 14 14 ASP H H 1 8.834 0.000 . 1 . . . A 14 ASP H . 19032 1 66 . 1 1 14 14 ASP HA H 1 4.152 0.000 . 1 . . . A 14 ASP HA . 19032 1 67 . 1 1 14 14 ASP HB2 H 1 2.562 0.000 . 2 . . . A 14 ASP HB2 . 19032 1 68 . 1 1 14 14 ASP HB3 H 1 3.069 0.000 . 2 . . . A 14 ASP HB3 . 19032 1 69 . 1 1 15 15 GLN H H 1 8.151 0.000 . 1 . . . A 15 GLN H . 19032 1 70 . 1 1 15 15 GLN HA H 1 4.699 0.000 . 1 . . . A 15 GLN HA . 19032 1 71 . 1 1 15 15 GLN HB2 H 1 2.422 0.000 . 2 . . . A 15 GLN HB2 . 19032 1 72 . 1 1 15 15 GLN HB3 H 1 2.422 0.000 . 2 . . . A 15 GLN HB3 . 19032 1 73 . 1 1 15 15 GLN HG2 H 1 2.497 0.000 . 2 . . . A 15 GLN HG2 . 19032 1 74 . 1 1 15 15 GLN HG3 H 1 2.820 0.000 . 2 . . . A 15 GLN HG3 . 19032 1 75 . 1 1 16 16 CYS H H 1 9.274 0.000 . 1 . . . A 16 CYS H . 19032 1 76 . 1 1 16 16 CYS HA H 1 4.638 0.000 . 1 . . . A 16 CYS HA . 19032 1 77 . 1 1 16 16 CYS HB2 H 1 2.613 0.000 . 2 . . . A 16 CYS HB2 . 19032 1 78 . 1 1 16 16 CYS HB3 H 1 2.745 0.000 . 2 . . . A 16 CYS HB3 . 19032 1 79 . 1 1 17 17 CYS H H 1 9.389 0.000 . 1 . . . A 17 CYS H . 19032 1 80 . 1 1 17 17 CYS HA H 1 4.641 0.000 . 1 . . . A 17 CYS HA . 19032 1 81 . 1 1 17 17 CYS HB2 H 1 3.150 0.000 . 2 . . . A 17 CYS HB2 . 19032 1 82 . 1 1 17 17 CYS HB3 H 1 3.260 0.000 . 2 . . . A 17 CYS HB3 . 19032 1 83 . 1 1 18 18 LYS H H 1 9.082 0.000 . 1 . . . A 18 LYS H . 19032 1 84 . 1 1 18 18 LYS HA H 1 4.322 0.000 . 1 . . . A 18 LYS HA . 19032 1 85 . 1 1 18 18 LYS HB2 H 1 1.803 0.000 . 2 . . . A 18 LYS HB2 . 19032 1 86 . 1 1 18 18 LYS HB3 H 1 1.983 0.000 . 2 . . . A 18 LYS HB3 . 19032 1 87 . 1 1 18 18 LYS HD2 H 1 1.675 0.000 . 2 . . . A 18 LYS HD2 . 19032 1 88 . 1 1 18 18 LYS HD3 H 1 1.675 0.000 . 2 . . . A 18 LYS HD3 . 19032 1 89 . 1 1 18 18 LYS HE2 H 1 3.147 0.000 . 2 . . . A 18 LYS HE2 . 19032 1 90 . 1 1 18 18 LYS HE3 H 1 3.147 0.000 . 2 . . . A 18 LYS HE3 . 19032 1 91 . 1 1 19 19 SER H H 1 9.115 0.000 . 1 . . . A 19 SER H . 19032 1 92 . 1 1 19 19 SER HA H 1 4.350 0.000 . 1 . . . A 19 SER HA . 19032 1 93 . 1 1 19 19 SER HB2 H 1 4.028 0.000 . 2 . . . A 19 SER HB2 . 19032 1 94 . 1 1 19 19 SER HB3 H 1 4.104 0.000 . 2 . . . A 19 SER HB3 . 19032 1 95 . 1 1 20 20 SER H H 1 6.913 0.000 . 1 . . . A 20 SER H . 19032 1 96 . 1 1 20 20 SER HA H 1 4.796 0.000 . 1 . . . A 20 SER HA . 19032 1 97 . 1 1 20 20 SER HB2 H 1 3.725 0.000 . 2 . . . A 20 SER HB2 . 19032 1 98 . 1 1 20 20 SER HB3 H 1 4.236 0.000 . 2 . . . A 20 SER HB3 . 19032 1 99 . 1 1 21 21 LYS H H 1 8.131 0.000 . 1 . . . A 21 LYS H . 19032 1 100 . 1 1 21 21 LYS HA H 1 3.965 0.000 . 1 . . . A 21 LYS HA . 19032 1 101 . 1 1 21 21 LYS HB2 H 1 2.296 0.000 . 2 . . . A 21 LYS HB2 . 19032 1 102 . 1 1 21 21 LYS HB3 H 1 2.296 0.000 . 2 . . . A 21 LYS HB3 . 19032 1 103 . 1 1 21 21 LYS HG2 H 1 1.448 0.000 . 2 . . . A 21 LYS HG2 . 19032 1 104 . 1 1 21 21 LYS HG3 H 1 1.448 0.000 . 2 . . . A 21 LYS HG3 . 19032 1 105 . 1 1 21 21 LYS HD2 H 1 2.090 0.000 . 2 . . . A 21 LYS HD2 . 19032 1 106 . 1 1 21 21 LYS HD3 H 1 2.090 0.000 . 2 . . . A 21 LYS HD3 . 19032 1 107 . 1 1 22 22 LEU H H 1 7.031 0.000 . 1 . . . A 22 LEU H . 19032 1 108 . 1 1 22 22 LEU HA H 1 4.970 0.000 . 1 . . . A 22 LEU HA . 19032 1 109 . 1 1 22 22 LEU HB2 H 1 1.741 0.000 . 2 . . . A 22 LEU HB2 . 19032 1 110 . 1 1 22 22 LEU HG H 1 1.415 0.000 . 1 . . . A 22 LEU HG . 19032 1 111 . 1 1 22 22 LEU HD11 H 1 0.820 0.000 . 1 . . . A 22 LEU HD11 . 19032 1 112 . 1 1 22 22 LEU HD12 H 1 0.820 0.000 . 1 . . . A 22 LEU HD12 . 19032 1 113 . 1 1 22 22 LEU HD13 H 1 0.820 0.000 . 1 . . . A 22 LEU HD13 . 19032 1 114 . 1 1 22 22 LEU HD21 H 1 0.820 0.000 . 1 . . . A 22 LEU HD21 . 19032 1 115 . 1 1 22 22 LEU HD22 H 1 0.820 0.000 . 1 . . . A 22 LEU HD22 . 19032 1 116 . 1 1 22 22 LEU HD23 H 1 0.820 0.000 . 1 . . . A 22 LEU HD23 . 19032 1 117 . 1 1 23 23 VAL H H 1 9.281 0.000 . 1 . . . A 23 VAL H . 19032 1 118 . 1 1 23 23 VAL HA H 1 4.354 0.000 . 1 . . . A 23 VAL HA . 19032 1 119 . 1 1 23 23 VAL HB H 1 1.881 0.000 . 1 . . . A 23 VAL HB . 19032 1 120 . 1 1 23 23 VAL HG11 H 1 0.839 0.000 . 1 . . . A 23 VAL HG11 . 19032 1 121 . 1 1 23 23 VAL HG12 H 1 0.839 0.000 . 1 . . . A 23 VAL HG12 . 19032 1 122 . 1 1 23 23 VAL HG13 H 1 0.839 0.000 . 1 . . . A 23 VAL HG13 . 19032 1 123 . 1 1 23 23 VAL HG21 H 1 0.839 0.000 . 1 . . . A 23 VAL HG21 . 19032 1 124 . 1 1 23 23 VAL HG22 H 1 0.839 0.000 . 1 . . . A 23 VAL HG22 . 19032 1 125 . 1 1 23 23 VAL HG23 H 1 0.839 0.000 . 1 . . . A 23 VAL HG23 . 19032 1 126 . 1 1 24 24 CYS H H 1 9.634 0.000 . 1 . . . A 24 CYS H . 19032 1 127 . 1 1 24 24 CYS HA H 1 4.583 0.000 . 1 . . . A 24 CYS HA . 19032 1 128 . 1 1 24 24 CYS HB2 H 1 2.571 0.000 . 2 . . . A 24 CYS HB2 . 19032 1 129 . 1 1 24 24 CYS HB3 H 1 3.083 0.000 . 2 . . . A 24 CYS HB3 . 19032 1 130 . 1 1 25 25 SER H H 1 7.868 0.000 . 1 . . . A 25 SER H . 19032 1 131 . 1 1 25 25 SER HA H 1 4.431 0.000 . 1 . . . A 25 SER HA . 19032 1 132 . 1 1 25 25 SER HB2 H 1 4.011 0.000 . 2 . . . A 25 SER HB2 . 19032 1 133 . 1 1 25 25 SER HB3 H 1 4.112 0.000 . 2 . . . A 25 SER HB3 . 19032 1 134 . 1 1 26 26 ARG H H 1 9.077 0.000 . 1 . . . A 26 ARG H . 19032 1 135 . 1 1 26 26 ARG HA H 1 3.948 0.000 . 1 . . . A 26 ARG HA . 19032 1 136 . 1 1 26 26 ARG HB2 H 1 1.845 0.000 . 2 . . . A 26 ARG HB2 . 19032 1 137 . 1 1 26 26 ARG HB3 H 1 1.982 0.000 . 2 . . . A 26 ARG HB3 . 19032 1 138 . 1 1 26 26 ARG HG2 H 1 1.698 0.000 . 2 . . . A 26 ARG HG2 . 19032 1 139 . 1 1 27 27 LYS H H 1 7.853 0.000 . 1 . . . A 27 LYS H . 19032 1 140 . 1 1 27 27 LYS HA H 1 4.428 0.000 . 1 . . . A 27 LYS HA . 19032 1 141 . 1 1 27 27 LYS HB2 H 1 2.124 0.000 . 2 . . . A 27 LYS HB2 . 19032 1 142 . 1 1 27 27 LYS HB3 H 1 2.124 0.000 . 2 . . . A 27 LYS HB3 . 19032 1 143 . 1 1 27 27 LYS HD2 H 1 1.821 0.000 . 2 . . . A 27 LYS HD2 . 19032 1 144 . 1 1 27 27 LYS HD3 H 1 1.821 0.000 . 2 . . . A 27 LYS HD3 . 19032 1 145 . 1 1 28 28 THR H H 1 7.455 0.000 . 1 . . . A 28 THR H . 19032 1 146 . 1 1 28 28 THR HA H 1 3.923 0.000 . 1 . . . A 28 THR HA . 19032 1 147 . 1 1 28 28 THR HB H 1 2.381 0.000 . 1 . . . A 28 THR HB . 19032 1 148 . 1 1 28 28 THR HG21 H 1 0.650 0.000 . 1 . . . A 28 THR HG21 . 19032 1 149 . 1 1 28 28 THR HG22 H 1 0.650 0.000 . 1 . . . A 28 THR HG22 . 19032 1 150 . 1 1 28 28 THR HG23 H 1 0.650 0.000 . 1 . . . A 28 THR HG23 . 19032 1 151 . 1 1 29 29 ARG H H 1 7.417 0.000 . 1 . . . A 29 ARG H . 19032 1 152 . 1 1 29 29 ARG HA H 1 3.937 0.000 . 1 . . . A 29 ARG HA . 19032 1 153 . 1 1 29 29 ARG HB2 H 1 2.092 0.000 . 2 . . . A 29 ARG HB2 . 19032 1 154 . 1 1 29 29 ARG HG2 H 1 1.527 0.000 . 2 . . . A 29 ARG HG2 . 19032 1 155 . 1 1 29 29 ARG HG3 H 1 1.349 0.000 . 2 . . . A 29 ARG HG3 . 19032 1 156 . 1 1 29 29 ARG HD2 H 1 2.399 0.000 . 2 . . . A 29 ARG HD2 . 19032 1 157 . 1 1 30 30 TRP H H 1 7.258 0.000 . 1 . . . A 30 TRP H . 19032 1 158 . 1 1 30 30 TRP HA H 1 5.678 0.000 . 1 . . . A 30 TRP HA . 19032 1 159 . 1 1 30 30 TRP HB2 H 1 2.833 0.000 . 2 . . . A 30 TRP HB2 . 19032 1 160 . 1 1 30 30 TRP HB3 H 1 3.244 0.000 . 2 . . . A 30 TRP HB3 . 19032 1 161 . 1 1 30 30 TRP HE1 H 1 10.831 0.000 . 1 . . . A 30 TRP HE1 . 19032 1 162 . 1 1 31 31 CYS H H 1 8.686 0.000 . 1 . . . A 31 CYS H . 19032 1 163 . 1 1 31 31 CYS HA H 1 4.900 0.000 . 1 . . . A 31 CYS HA . 19032 1 164 . 1 1 31 31 CYS HB2 H 1 2.516 0.000 . 2 . . . A 31 CYS HB2 . 19032 1 165 . 1 1 31 31 CYS HB3 H 1 3.194 0.000 . 2 . . . A 31 CYS HB3 . 19032 1 166 . 1 1 32 32 ALA H H 1 9.471 0.000 . 1 . . . A 32 ALA H . 19032 1 167 . 1 1 32 32 ALA HA H 1 4.734 0.000 . 1 . . . A 32 ALA HA . 19032 1 168 . 1 1 32 32 ALA HB1 H 1 1.630 0.000 . 1 . . . A 32 ALA HB1 . 19032 1 169 . 1 1 32 32 ALA HB2 H 1 1.630 0.000 . 1 . . . A 32 ALA HB2 . 19032 1 170 . 1 1 32 32 ALA HB3 H 1 1.630 0.000 . 1 . . . A 32 ALA HB3 . 19032 1 171 . 1 1 33 33 TYR H H 1 8.264 0.000 . 1 . . . A 33 TYR H . 19032 1 172 . 1 1 33 33 TYR HA H 1 4.900 0.000 . 1 . . . A 33 TYR HA . 19032 1 173 . 1 1 33 33 TYR HB2 H 1 2.842 0.000 . 2 . . . A 33 TYR HB2 . 19032 1 174 . 1 1 33 33 TYR HB3 H 1 3.205 0.000 . 2 . . . A 33 TYR HB3 . 19032 1 175 . 1 1 34 34 GLN H H 1 8.722 0.000 . 1 . . . A 34 GLN H . 19032 1 176 . 1 1 34 34 GLN HA H 1 4.394 0.000 . 1 . . . A 34 GLN HA . 19032 1 177 . 1 1 34 34 GLN HB2 H 1 1.961 0.000 . 2 . . . A 34 GLN HB2 . 19032 1 178 . 1 1 34 34 GLN HB3 H 1 2.330 0.000 . 2 . . . A 34 GLN HB3 . 19032 1 179 . 1 1 35 35 ILE H H 1 8.410 0.000 . 1 . . . A 35 ILE H . 19032 1 180 . 1 1 35 35 ILE HA H 1 4.231 0.000 . 1 . . . A 35 ILE HA . 19032 1 181 . 1 1 35 35 ILE HB H 1 1.938 0.000 . 1 . . . A 35 ILE HB . 19032 1 182 . 1 1 35 35 ILE HG21 H 1 1.036 0.000 . 1 . . . A 35 ILE HG21 . 19032 1 183 . 1 1 35 35 ILE HG22 H 1 1.036 0.000 . 1 . . . A 35 ILE HG22 . 19032 1 184 . 1 1 35 35 ILE HG23 H 1 1.036 0.000 . 1 . . . A 35 ILE HG23 . 19032 1 185 . 1 1 35 35 ILE HD11 H 1 0.907 0.000 . 1 . . . A 35 ILE HD11 . 19032 1 186 . 1 1 35 35 ILE HD12 H 1 0.907 0.000 . 1 . . . A 35 ILE HD12 . 19032 1 187 . 1 1 35 35 ILE HD13 H 1 0.907 0.000 . 1 . . . A 35 ILE HD13 . 19032 1 stop_ save_