################################### # 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 17618 _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' . . . 17618 1 3 '2D 1H-1H NOESY' . . . 17618 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 1 1 GLY H H 1 6.98 0.001 15 1 . . . A 1 GLY H . 17618 1 2 . 1 1 1 1 GLY HA2 H 1 3.92 0.028 22 2 . . . A 1 GLY HA2 . 17618 1 3 . 1 1 1 1 GLY HA3 H 1 3.92 0.028 22 2 . . . A 1 GLY HA3 . 17618 1 4 . 1 1 1 1 GLY N N 15 111.20 0.00 1 1 . . . A 1 GLY N . 17618 1 5 . 1 1 2 2 TRP H H 1 8.08 0.002 14 1 . . . A 2 TRP H . 17618 1 6 . 1 1 2 2 TRP HA H 1 4.42 0.005 14 1 . . . A 2 TRP HA . 17618 1 7 . 1 1 2 2 TRP HB2 H 1 3.34 0.003 13 1 . . . A 2 TRP HB2 . 17618 1 8 . 1 1 2 2 TRP HB3 H 1 3.44 0.007 13 1 . . . A 2 TRP HB3 . 17618 1 9 . 1 1 2 2 TRP HD1 H 1 7.52 0.002 11 1 . . . A 2 TRP HD1 . 17618 1 10 . 1 1 2 2 TRP HE1 H 1 10.08 0.001 4 1 . . . A 2 TRP HE1 . 17618 1 11 . 1 1 2 2 TRP HE3 H 1 7.59 0.001 12 1 . . . A 2 TRP HE3 . 17618 1 12 . 1 1 2 2 TRP HZ2 H 1 7.58 0.026 16 1 . . . A 2 TRP HZ2 . 17618 1 13 . 1 1 2 2 TRP N N 15 119.50 0.00 1 1 . . . A 2 TRP N . 17618 1 14 . 1 1 2 2 TRP NE1 N 15 128.40 0.00 1 1 . . . A 2 TRP NE1 . 17618 1 15 . 1 1 3 3 TRP H H 1 7.18 0.003 10 1 . . . A 3 TRP H . 17618 1 16 . 1 1 3 3 TRP HA H 1 4.36 0.005 20 1 . . . A 3 TRP HA . 17618 1 17 . 1 1 3 3 TRP HB2 H 1 3.06 0.159 13 1 . . . A 3 TRP HB2 . 17618 1 18 . 1 1 3 3 TRP HB3 H 1 3.41 0.003 9 1 . . . A 3 TRP HB3 . 17618 1 19 . 1 1 3 3 TRP HD1 H 1 7.27 0.002 10 1 . . . A 3 TRP HD1 . 17618 1 20 . 1 1 3 3 TRP HE1 H 1 10.11 0.002 12 1 . . . A 3 TRP HE1 . 17618 1 21 . 1 1 3 3 TRP HE3 H 1 7.07 0.003 7 1 . . . A 3 TRP HE3 . 17618 1 22 . 1 1 3 3 TRP HZ2 H 1 7.61 0.001 3 1 . . . A 3 TRP HZ2 . 17618 1 23 . 1 1 3 3 TRP HZ3 H 1 7.24 0.00 4 1 . . . A 3 TRP HZ3 . 17618 1 24 . 1 1 3 3 TRP HH2 H 1 7.44 0.006 4 1 . . . A 3 TRP HH2 . 17618 1 25 . 1 1 3 3 TRP N N 15 117.30 0.00 1 1 . . . A 3 TRP N . 17618 1 26 . 1 1 3 3 TRP NE1 N 15 128.40 0.00 1 1 . . . A 3 TRP NE1 . 17618 1 27 . 1 1 4 4 LEU H H 1 7.43 0.002 21 1 . . . A 4 LEU H . 17618 1 28 . 1 1 4 4 LEU HA H 1 4.08 0.004 10 1 . . . A 4 LEU HA . 17618 1 29 . 1 1 4 4 LEU HB2 H 1 1.58 0.002 10 2 . . . A 4 LEU HB2 . 17618 1 30 . 1 1 4 4 LEU HB3 H 1 1.58 0.002 10 2 . . . A 4 LEU HB3 . 17618 1 31 . 1 1 4 4 LEU HG H 1 1.43 0.004 7 1 . . . A 4 LEU HG . 17618 1 32 . 1 1 4 4 LEU HD11 H 1 0.99 0.006 8 1 . . . A 4 LEU HD11 . 17618 1 33 . 1 1 4 4 LEU HD12 H 1 0.99 0.006 8 1 . . . A 4 LEU HD12 . 17618 1 34 . 1 1 4 4 LEU HD13 H 1 0.99 0.006 8 1 . . . A 4 LEU HD13 . 17618 1 35 . 1 1 4 4 LEU HD21 H 1 0.90 0.002 10 1 . . . A 4 LEU HD21 . 17618 1 36 . 1 1 4 4 LEU HD22 H 1 0.90 0.002 10 1 . . . A 4 LEU HD22 . 17618 1 37 . 1 1 4 4 LEU HD23 H 1 0.90 0.002 10 1 . . . A 4 LEU HD23 . 17618 1 38 . 1 1 4 4 LEU N N 15 120.60 0.00 1 1 . . . A 4 LEU N . 17618 1 39 . 1 1 5 5 ALA H H 1 7.91 0.001 9 1 . . . A 5 ALA H . 17618 1 40 . 1 1 5 5 ALA HA H 1 4.17 0.002 9 1 . . . A 5 ALA HA . 17618 1 41 . 1 1 5 5 ALA HB1 H 1 1.76 0.002 15 1 . . . A 5 ALA HB1 . 17618 1 42 . 1 1 5 5 ALA HB2 H 1 1.76 0.002 15 1 . . . A 5 ALA HB2 . 17618 1 43 . 1 1 5 5 ALA HB3 H 1 1.76 0.002 15 1 . . . A 5 ALA HB3 . 17618 1 44 . 1 1 5 5 ALA N N 15 117.30 0.00 1 1 . . . A 5 ALA N . 17618 1 45 . 1 1 6 6 LEU H H 1 7.81 0.002 19 1 . . . A 6 LEU H . 17618 1 46 . 1 1 6 6 LEU HA H 1 4.27 0.009 13 1 . . . A 6 LEU HA . 17618 1 47 . 1 1 6 6 LEU HB2 H 1 2.20 0.027 10 1 . . . A 6 LEU HB2 . 17618 1 48 . 1 1 6 6 LEU HB3 H 1 2.10 0.00 6 1 . . . A 6 LEU HB3 . 17618 1 49 . 1 1 6 6 LEU HG H 1 1.93 0.003 11 1 . . . A 6 LEU HG . 17618 1 50 . 1 1 6 6 LEU HD11 H 1 1.27 0.002 19 1 . . . A 6 LEU HD11 . 17618 1 51 . 1 1 6 6 LEU HD12 H 1 1.27 0.002 19 1 . . . A 6 LEU HD12 . 17618 1 52 . 1 1 6 6 LEU HD13 H 1 1.27 0.002 19 1 . . . A 6 LEU HD13 . 17618 1 53 . 1 1 6 6 LEU HD21 H 1 1.19 0.002 17 1 . . . A 6 LEU HD21 . 17618 1 54 . 1 1 6 6 LEU HD22 H 1 1.19 0.002 17 1 . . . A 6 LEU HD22 . 17618 1 55 . 1 1 6 6 LEU HD23 H 1 1.19 0.002 17 1 . . . A 6 LEU HD23 . 17618 1 56 . 1 1 6 6 LEU N N 15 115.10 0.00 1 1 . . . A 6 LEU N . 17618 1 57 . 1 1 7 7 ALA H H 1 7.89 0.002 18 1 . . . A 7 ALA H . 17618 1 58 . 1 1 7 7 ALA HA H 1 4.31 0.005 7 1 . . . A 7 ALA HA . 17618 1 59 . 1 1 7 7 ALA HB1 H 1 1.69 0.003 7 1 . . . A 7 ALA HB1 . 17618 1 60 . 1 1 7 7 ALA HB2 H 1 1.69 0.003 7 1 . . . A 7 ALA HB2 . 17618 1 61 . 1 1 7 7 ALA HB3 H 1 1.69 0.003 7 1 . . . A 7 ALA HB3 . 17618 1 62 . 1 1 7 7 ALA N N 15 113.40 0.00 1 1 . . . A 7 ALA N . 17618 1 63 . 1 1 8 8 LEU H H 1 7.83 0.002 17 1 . . . A 8 LEU H . 17618 1 64 . 1 1 8 8 LEU HA H 1 4.42 0.01 4 1 . . . A 8 LEU HA . 17618 1 65 . 1 1 8 8 LEU HB2 H 1 2.00 0.014 7 2 . . . A 8 LEU HB2 . 17618 1 66 . 1 1 8 8 LEU HB3 H 1 2.00 0.014 7 2 . . . A 8 LEU HB3 . 17618 1 67 . 1 1 8 8 LEU HD11 H 1 1.06 0.004 6 1 . . . A 8 LEU HD11 . 17618 1 68 . 1 1 8 8 LEU HD12 H 1 1.06 0.004 6 1 . . . A 8 LEU HD12 . 17618 1 69 . 1 1 8 8 LEU HD13 H 1 1.06 0.004 6 1 . . . A 8 LEU HD13 . 17618 1 70 . 1 1 8 8 LEU HD21 H 1 1.01 0.005 5 1 . . . A 8 LEU HD21 . 17618 1 71 . 1 1 8 8 LEU HD22 H 1 1.01 0.005 5 1 . . . A 8 LEU HD22 . 17618 1 72 . 1 1 8 8 LEU HD23 H 1 1.01 0.005 5 1 . . . A 8 LEU HD23 . 17618 1 73 . 1 1 8 8 LEU N N 15 118.30 0.00 1 1 . . . A 8 LEU N . 17618 1 74 . 1 1 9 9 ALA H H 1 8.14 0.002 25 1 . . . A 9 ALA H . 17618 1 75 . 1 1 9 9 ALA HA H 1 4.40 0.011 3 1 . . . A 9 ALA HA . 17618 1 76 . 1 1 9 9 ALA HB1 H 1 1.72 0.001 3 1 . . . A 9 ALA HB1 . 17618 1 77 . 1 1 9 9 ALA HB2 H 1 1.72 0.001 3 1 . . . A 9 ALA HB2 . 17618 1 78 . 1 1 9 9 ALA HB3 H 1 1.72 0.001 3 1 . . . A 9 ALA HB3 . 17618 1 79 . 1 1 9 9 ALA N N 15 120.50 0.00 1 1 . . . A 9 ALA N . 17618 1 80 . 1 1 10 10 PRO HA H 1 4.12 0.003 11 1 . . . A 10 PRO HA . 17618 1 81 . 1 1 10 10 PRO HB2 H 1 2.41 0.001 6 1 . . . A 10 PRO HB2 . 17618 1 82 . 1 1 10 10 PRO HB3 H 1 1.99 0.019 6 1 . . . A 10 PRO HB3 . 17618 1 83 . 1 1 10 10 PRO HG2 H 1 1.73 0.006 6 2 . . . A 10 PRO HG2 . 17618 1 84 . 1 1 10 10 PRO HG3 H 1 1.73 0.006 6 2 . . . A 10 PRO HG3 . 17618 1 85 . 1 1 10 10 PRO HD2 H 1 3.88 0.007 7 2 . . . A 10 PRO HD2 . 17618 1 86 . 1 1 10 10 PRO HD3 H 1 3.88 0.007 7 2 . . . A 10 PRO HD3 . 17618 1 87 . 1 1 11 11 ALA H H 1 7.35 0.00 3 1 . . . A 11 ALA H . 17618 1 88 . 1 1 11 11 ALA HA H 1 4.20 0.00 1 1 . . . A 11 ALA HA . 17618 1 89 . 1 1 11 11 ALA HB1 H 1 1.65 0.004 6 1 . . . A 11 ALA HB1 . 17618 1 90 . 1 1 11 11 ALA HB2 H 1 1.65 0.004 6 1 . . . A 11 ALA HB2 . 17618 1 91 . 1 1 11 11 ALA HB3 H 1 1.65 0.004 6 1 . . . A 11 ALA HB3 . 17618 1 92 . 1 1 11 11 ALA N N 15 117.00 0.00 1 1 . . . A 11 ALA N . 17618 1 93 . 1 1 12 12 LEU H H 1 8.27 0.003 12 1 . . . A 12 LEU H . 17618 1 94 . 1 1 12 12 LEU HA H 1 4.23 0.005 8 1 . . . A 12 LEU HA . 17618 1 95 . 1 1 12 12 LEU HB2 H 1 1.97 0.004 10 2 . . . A 12 LEU HB2 . 17618 1 96 . 1 1 12 12 LEU HB3 H 1 1.97 0.004 10 2 . . . A 12 LEU HB3 . 17618 1 97 . 1 1 12 12 LEU HG H 1 1.82 0.001 8 1 . . . A 12 LEU HG . 17618 1 98 . 1 1 12 12 LEU HD11 H 1 1.05 0.002 7 2 . . . A 12 LEU HD11 . 17618 1 99 . 1 1 12 12 LEU HD12 H 1 1.05 0.002 7 2 . . . A 12 LEU HD12 . 17618 1 100 . 1 1 12 12 LEU HD13 H 1 1.05 0.002 7 2 . . . A 12 LEU HD13 . 17618 1 101 . 1 1 12 12 LEU HD21 H 1 1.05 0.002 7 2 . . . A 12 LEU HD21 . 17618 1 102 . 1 1 12 12 LEU HD22 H 1 1.05 0.002 7 2 . . . A 12 LEU HD22 . 17618 1 103 . 1 1 12 12 LEU HD23 H 1 1.05 0.002 7 2 . . . A 12 LEU HD23 . 17618 1 104 . 1 1 12 12 LEU N N 15 117.00 0.00 1 1 . . . A 12 LEU N . 17618 1 105 . 1 1 13 13 ALA H H 1 8.44 0.001 9 1 . . . A 13 ALA H . 17618 1 106 . 1 1 13 13 ALA HA H 1 4.22 0.004 9 1 . . . A 13 ALA HA . 17618 1 107 . 1 1 13 13 ALA HB1 H 1 1.66 0.003 9 1 . . . A 13 ALA HB1 . 17618 1 108 . 1 1 13 13 ALA HB2 H 1 1.66 0.003 9 1 . . . A 13 ALA HB2 . 17618 1 109 . 1 1 13 13 ALA HB3 H 1 1.66 0.003 9 1 . . . A 13 ALA HB3 . 17618 1 110 . 1 1 13 13 ALA N N 15 119.80 0.00 1 1 . . . A 13 ALA N . 17618 1 111 . 1 1 14 14 LEU H H 1 8.26 0.004 11 1 . . . A 14 LEU H . 17618 1 112 . 1 1 14 14 LEU HA H 1 4.41 0.001 9 1 . . . A 14 LEU HA . 17618 1 113 . 1 1 14 14 LEU HB2 H 1 2.05 0.005 8 2 . . . A 14 LEU HB2 . 17618 1 114 . 1 1 14 14 LEU HB3 H 1 2.05 0.005 8 2 . . . A 14 LEU HB3 . 17618 1 115 . 1 1 14 14 LEU HD11 H 1 1.11 0.004 13 1 . . . A 14 LEU HD11 . 17618 1 116 . 1 1 14 14 LEU HD12 H 1 1.11 0.004 13 1 . . . A 14 LEU HD12 . 17618 1 117 . 1 1 14 14 LEU HD13 H 1 1.11 0.004 13 1 . . . A 14 LEU HD13 . 17618 1 118 . 1 1 14 14 LEU HD21 H 1 1.05 0.004 11 1 . . . A 14 LEU HD21 . 17618 1 119 . 1 1 14 14 LEU HD22 H 1 1.05 0.004 11 1 . . . A 14 LEU HD22 . 17618 1 120 . 1 1 14 14 LEU HD23 H 1 1.05 0.004 11 1 . . . A 14 LEU HD23 . 17618 1 121 . 1 1 14 14 LEU N N 15 117.30 0.00 1 1 . . . A 14 LEU N . 17618 1 122 . 1 1 15 15 ALA H H 1 8.49 0.004 18 1 . . . A 15 ALA H . 17618 1 123 . 1 1 15 15 ALA HA H 1 4.39 0.005 17 1 . . . A 15 ALA HA . 17618 1 124 . 1 1 15 15 ALA HB1 H 1 1.78 0.002 16 1 . . . A 15 ALA HB1 . 17618 1 125 . 1 1 15 15 ALA HB2 H 1 1.78 0.002 16 1 . . . A 15 ALA HB2 . 17618 1 126 . 1 1 15 15 ALA HB3 H 1 1.78 0.002 16 1 . . . A 15 ALA HB3 . 17618 1 127 . 1 1 15 15 ALA N N 15 121.10 0.00 1 1 . . . A 15 ALA N . 17618 1 128 . 1 1 16 16 LEU H H 1 8.61 0.002 20 1 . . . A 16 LEU H . 17618 1 129 . 1 1 16 16 LEU HA H 1 4.28 0.003 9 1 . . . A 16 LEU HA . 17618 1 130 . 1 1 16 16 LEU HB2 H 1 2.19 0.002 6 1 . . . A 16 LEU HB2 . 17618 1 131 . 1 1 16 16 LEU HB3 H 1 2.10 0.001 3 1 . . . A 16 LEU HB3 . 17618 1 132 . 1 1 16 16 LEU HD11 H 1 1.09 0.003 10 2 . . . A 16 LEU HD11 . 17618 1 133 . 1 1 16 16 LEU HD12 H 1 1.09 0.003 10 2 . . . A 16 LEU HD12 . 17618 1 134 . 1 1 16 16 LEU HD13 H 1 1.09 0.003 10 2 . . . A 16 LEU HD13 . 17618 1 135 . 1 1 16 16 LEU HD21 H 1 1.09 0.003 10 2 . . . A 16 LEU HD21 . 17618 1 136 . 1 1 16 16 LEU HD22 H 1 1.09 0.003 10 2 . . . A 16 LEU HD22 . 17618 1 137 . 1 1 16 16 LEU HD23 H 1 1.09 0.003 10 2 . . . A 16 LEU HD23 . 17618 1 138 . 1 1 16 16 LEU N N 15 117.30 0.00 1 1 . . . A 16 LEU N . 17618 1 139 . 1 1 17 17 TRP H H 1 8.82 0.002 24 1 . . . A 17 TRP H . 17618 1 140 . 1 1 17 17 TRP HA H 1 4.45 0.013 10 1 . . . A 17 TRP HA . 17618 1 141 . 1 1 17 17 TRP HB2 H 1 3.49 0.003 16 1 . . . A 17 TRP HB2 . 17618 1 142 . 1 1 17 17 TRP HB3 H 1 3.90 0.004 18 1 . . . A 17 TRP HB3 . 17618 1 143 . 1 1 17 17 TRP HD1 H 1 7.29 0.003 9 1 . . . A 17 TRP HD1 . 17618 1 144 . 1 1 17 17 TRP HE1 H 1 10.00 0.002 5 1 . . . A 17 TRP HE1 . 17618 1 145 . 1 1 17 17 TRP HE3 H 1 7.91 0.001 12 1 . . . A 17 TRP HE3 . 17618 1 146 . 1 1 17 17 TRP HZ2 H 1 7.69 0.00 2 1 . . . A 17 TRP HZ2 . 17618 1 147 . 1 1 17 17 TRP HZ3 H 1 7.89 0.003 17 1 . . . A 17 TRP HZ3 . 17618 1 148 . 1 1 17 17 TRP HH2 H 1 7.22 0.002 7 1 . . . A 17 TRP HH2 . 17618 1 149 . 1 1 17 17 TRP N N 15 121.30 0.00 1 1 . . . A 17 TRP N . 17618 1 150 . 1 1 17 17 TRP NE1 N 15 127.80 0.00 1 1 . . . A 17 TRP NE1 . 17618 1 151 . 1 1 18 18 TRP H H 1 9.14 0.003 20 1 . . . A 18 TRP H . 17618 1 152 . 1 1 18 18 TRP HA H 1 4.01 0.006 17 1 . . . A 18 TRP HA . 17618 1 153 . 1 1 18 18 TRP HB2 H 1 3.59 0.003 22 1 . . . A 18 TRP HB2 . 17618 1 154 . 1 1 18 18 TRP HB3 H 1 3.66 0.003 21 1 . . . A 18 TRP HB3 . 17618 1 155 . 1 1 18 18 TRP HD1 H 1 7.25 0.002 8 1 . . . A 18 TRP HD1 . 17618 1 156 . 1 1 18 18 TRP HE1 H 1 9.89 0.003 6 1 . . . A 18 TRP HE1 . 17618 1 157 . 1 1 18 18 TRP HE3 H 1 7.71 0.002 13 1 . . . A 18 TRP HE3 . 17618 1 158 . 1 1 18 18 TRP HZ2 H 1 7.66 0.00 2 1 . . . A 18 TRP HZ2 . 17618 1 159 . 1 1 18 18 TRP HZ3 H 1 7.69 0.002 17 1 . . . A 18 TRP HZ3 . 17618 1 160 . 1 1 18 18 TRP N N 15 120.60 0.00 1 1 . . . A 18 TRP N . 17618 1 161 . 1 1 18 18 TRP NE1 N 15 127.20 0.00 1 1 . . . A 18 TRP NE1 . 17618 1 162 . 1 1 19 19 ALA H H 1 8.71 0.002 18 1 . . . A 19 ALA H . 17618 1 163 . 1 1 19 19 ALA HA H 1 4.04 0.005 4 1 . . . A 19 ALA HA . 17618 1 164 . 1 1 19 19 ALA HB1 H 1 1.67 0.004 17 1 . . . A 19 ALA HB1 . 17618 1 165 . 1 1 19 19 ALA HB2 H 1 1.67 0.004 17 1 . . . A 19 ALA HB2 . 17618 1 166 . 1 1 19 19 ALA HB3 H 1 1.67 0.004 17 1 . . . A 19 ALA HB3 . 17618 1 167 . 1 1 19 19 ALA N N 15 120.30 0.00 1 1 . . . A 19 ALA N . 17618 1 168 . 2 2 1 1 ACE H1 H 1 2.13 0.004 5 1 . . . A 0 ACE H1 . 17618 1 169 . 2 2 1 1 ACE H2 H 1 2.13 0.004 5 1 . . . A 0 ACE H2 . 17618 1 170 . 2 2 1 1 ACE H3 H 1 2.13 0.004 5 1 . . . A 0 ACE H3 . 17618 1 171 . 3 3 1 1 ETA HA1 H 1 3.38 0.006 3 2 . . . A 20 ETA HA1 . 17618 1 172 . 3 3 1 1 ETA HA2 H 1 3.38 0.006 3 2 . . . A 20 ETA HA2 . 17618 1 173 . 3 3 1 1 ETA HB1 H 1 3.54 0.008 3 2 . . . A 20 ETA HB1 . 17618 1 174 . 3 3 1 1 ETA HB2 H 1 3.54 0.008 3 2 . . . A 20 ETA HB2 . 17618 1 175 . 3 3 1 1 ETA HN1 H 1 7.75 0.002 10 2 . . . A 20 ETA HN1 . 17618 1 176 . 3 3 1 1 ETA HN2 H 1 7.75 0.002 10 2 . . . A 20 ETA HN2 . 17618 1 177 . 3 3 1 1 ETA HO H 1 3.82 0.00 1 1 . . . A 20 ETA HO . 17618 1 178 . 3 3 1 1 ETA N N 15 111.70 0.00 1 1 . . . A 20 ETA N . 17618 1 stop_ save_