################################### # 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 19883 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'spectral resolution' _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 COSY' . . . 19883 1 2 '2D 1H-1H TOCSY' . . . 19883 1 3 '2D 1H-1H NOESY' . . . 19883 1 4 '2D 1H-13C HSQC aliphatic' . . . 19883 1 5 '2D 1H-13C HSQC aromatic' . . . 19883 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 LEU HA H 1 4.035 0.020 . 1 . . . A 2 LEU HA . 19883 1 2 . 1 1 2 2 LEU HB2 H 1 1.526 0.020 . 2 . . . A 2 LEU HB2 . 19883 1 3 . 1 1 2 2 LEU HB3 H 1 1.427 0.020 . 2 . . . A 2 LEU HB3 . 19883 1 4 . 1 1 2 2 LEU HG H 1 1.437 0.020 . 1 . . . A 2 LEU HG . 19883 1 5 . 1 1 2 2 LEU HD11 H 1 0.847 0.020 . 2 . . . A 2 LEU HD11 . 19883 1 6 . 1 1 2 2 LEU HD12 H 1 0.847 0.020 . 2 . . . A 2 LEU HD12 . 19883 1 7 . 1 1 2 2 LEU HD13 H 1 0.847 0.020 . 2 . . . A 2 LEU HD13 . 19883 1 8 . 1 1 2 2 LEU HD21 H 1 0.771 0.020 . 2 . . . A 2 LEU HD21 . 19883 1 9 . 1 1 2 2 LEU HD22 H 1 0.771 0.020 . 2 . . . A 2 LEU HD22 . 19883 1 10 . 1 1 2 2 LEU HD23 H 1 0.771 0.020 . 2 . . . A 2 LEU HD23 . 19883 1 11 . 1 1 2 2 LEU CA C 13 57.741 0.020 . 1 . . . A 2 LEU CA . 19883 1 12 . 1 1 2 2 LEU CB C 13 42.554 0.020 . 1 . . . A 2 LEU CB . 19883 1 13 . 1 1 2 2 LEU CG C 13 27.062 0.020 . 1 . . . A 2 LEU CG . 19883 1 14 . 1 1 2 2 LEU CD2 C 13 24.858 0.020 . 2 . . . A 2 LEU CD2 . 19883 1 15 . 1 1 3 3 PHE H H 1 8.09 0.020 . 1 . . . A 3 PHE H . 19883 1 16 . 1 1 3 3 PHE HA H 1 4.389 0.020 . 1 . . . A 3 PHE HA . 19883 1 17 . 1 1 3 3 PHE HB2 H 1 3.222 0.020 . 2 . . . A 3 PHE HB2 . 19883 1 18 . 1 1 3 3 PHE HB3 H 1 3.121 0.020 . 2 . . . A 3 PHE HB3 . 19883 1 19 . 1 1 3 3 PHE HD1 H 1 7.269 0.020 . 3 . . . A 3 PHE HD1 . 19883 1 20 . 1 1 3 3 PHE HD2 H 1 7.269 0.020 . 3 . . . A 3 PHE HD2 . 19883 1 21 . 1 1 3 3 PHE HE1 H 1 7.168 0.020 . 3 . . . A 3 PHE HE1 . 19883 1 22 . 1 1 3 3 PHE HE2 H 1 7.168 0.020 . 3 . . . A 3 PHE HE2 . 19883 1 23 . 1 1 3 3 PHE HZ H 1 7.425 0.020 . 1 . . . A 3 PHE HZ . 19883 1 24 . 1 1 3 3 PHE CA C 13 60.216 0.020 . 1 . . . A 3 PHE CA . 19883 1 25 . 1 1 3 3 PHE CB C 13 38.25 0.020 . 1 . . . A 3 PHE CB . 19883 1 26 . 1 1 3 3 PHE CD1 C 13 131.279 0.020 . 3 . . . A 3 PHE CD1 . 19883 1 27 . 1 1 3 3 PHE CE1 C 13 129.332 0.020 . 3 . . . A 3 PHE CE1 . 19883 1 28 . 1 1 3 3 PHE CZ C 13 132.324 0.020 . 1 . . . A 3 PHE CZ . 19883 1 29 . 1 1 4 4 GLY H H 1 8.07 0.020 . 1 . . . A 4 GLY H . 19883 1 30 . 1 1 4 4 GLY HA2 H 1 4.019 0.020 . 2 . . . A 4 GLY HA2 . 19883 1 31 . 1 1 4 4 GLY HA3 H 1 3.913 0.020 . 2 . . . A 4 GLY HA3 . 19883 1 32 . 1 1 4 4 GLY CA C 13 46.793 0.020 . 1 . . . A 4 GLY CA . 19883 1 33 . 1 1 5 5 VAL H H 1 7.761 0.020 . 1 . . . A 5 VAL H . 19883 1 34 . 1 1 5 5 VAL HA H 1 3.804 0.020 . 1 . . . A 5 VAL HA . 19883 1 35 . 1 1 5 5 VAL HB H 1 2.237 0.020 . 1 . . . A 5 VAL HB . 19883 1 36 . 1 1 5 5 VAL HG11 H 1 1.069 0.020 . 2 . . . A 5 VAL HG11 . 19883 1 37 . 1 1 5 5 VAL HG12 H 1 1.069 0.020 . 2 . . . A 5 VAL HG12 . 19883 1 38 . 1 1 5 5 VAL HG13 H 1 1.069 0.020 . 2 . . . A 5 VAL HG13 . 19883 1 39 . 1 1 5 5 VAL HG21 H 1 0.959 0.020 . 2 . . . A 5 VAL HG21 . 19883 1 40 . 1 1 5 5 VAL HG22 H 1 0.959 0.020 . 2 . . . A 5 VAL HG22 . 19883 1 41 . 1 1 5 5 VAL HG23 H 1 0.959 0.020 . 2 . . . A 5 VAL HG23 . 19883 1 42 . 1 1 5 5 VAL CA C 13 65.716 0.020 . 1 . . . A 5 VAL CA . 19883 1 43 . 1 1 5 5 VAL CB C 13 32.059 0.020 . 1 . . . A 5 VAL CB . 19883 1 44 . 1 1 5 5 VAL CG1 C 13 22.452 0.020 . 2 . . . A 5 VAL CG1 . 19883 1 45 . 1 1 5 5 VAL CG2 C 13 21.475 0.020 . 2 . . . A 5 VAL CG2 . 19883 1 46 . 1 1 6 6 LEU H H 1 7.942 0.020 . 1 . . . A 6 LEU H . 19883 1 47 . 1 1 6 6 LEU HA H 1 4.053 0.020 . 1 . . . A 6 LEU HA . 19883 1 48 . 1 1 6 6 LEU HB2 H 1 1.841 0.020 . 2 . . . A 6 LEU HB2 . 19883 1 49 . 1 1 6 6 LEU HB3 H 1 1.55 0.020 . 2 . . . A 6 LEU HB3 . 19883 1 50 . 1 1 6 6 LEU HG H 1 1.824 0.020 . 1 . . . A 6 LEU HG . 19883 1 51 . 1 1 6 6 LEU HD11 H 1 0.886 0.020 . 2 . . . A 6 LEU HD11 . 19883 1 52 . 1 1 6 6 LEU HD12 H 1 0.886 0.020 . 2 . . . A 6 LEU HD12 . 19883 1 53 . 1 1 6 6 LEU HD13 H 1 0.886 0.020 . 2 . . . A 6 LEU HD13 . 19883 1 54 . 1 1 6 6 LEU HD21 H 1 0.841 0.020 . 2 . . . A 6 LEU HD21 . 19883 1 55 . 1 1 6 6 LEU HD22 H 1 0.841 0.020 . 2 . . . A 6 LEU HD22 . 19883 1 56 . 1 1 6 6 LEU HD23 H 1 0.841 0.020 . 2 . . . A 6 LEU HD23 . 19883 1 57 . 1 1 6 6 LEU CA C 13 54.653 0.020 . 1 . . . A 6 LEU CA . 19883 1 58 . 1 1 6 6 LEU CB C 13 41.244 0.020 . 1 . . . A 6 LEU CB . 19883 1 59 . 1 1 6 6 LEU CG C 13 27.019 0.020 . 1 . . . A 6 LEU CG . 19883 1 60 . 1 1 6 6 LEU CD1 C 13 25.441 0.020 . 2 . . . A 6 LEU CD1 . 19883 1 61 . 1 1 7 7 ALA H H 1 7.83 0.020 . 1 . . . A 7 ALA H . 19883 1 62 . 1 1 7 7 ALA HA H 1 4.102 0.020 . 1 . . . A 7 ALA HA . 19883 1 63 . 1 1 7 7 ALA HB1 H 1 1.432 0.020 . 1 . . . A 7 ALA HB1 . 19883 1 64 . 1 1 7 7 ALA HB2 H 1 1.432 0.020 . 1 . . . A 7 ALA HB2 . 19883 1 65 . 1 1 7 7 ALA HB3 H 1 1.432 0.020 . 1 . . . A 7 ALA HB3 . 19883 1 66 . 1 1 7 7 ALA CA C 13 54.298 0.020 . 1 . . . A 7 ALA CA . 19883 1 67 . 1 1 7 7 ALA CB C 13 18.412 0.020 . 1 . . . A 7 ALA CB . 19883 1 68 . 1 1 8 8 LYS H H 1 7.6 0.020 . 1 . . . A 8 LYS H . 19883 1 69 . 1 1 8 8 LYS HA H 1 4.182 0.020 . 1 . . . A 8 LYS HA . 19883 1 70 . 1 1 8 8 LYS HB2 H 1 1.986 0.020 . 2 . . . A 8 LYS HB2 . 19883 1 71 . 1 1 8 8 LYS HB3 H 1 1.986 0.020 . 2 . . . A 8 LYS HB3 . 19883 1 72 . 1 1 8 8 LYS HG2 H 1 1.608 0.020 . 2 . . . A 8 LYS HG2 . 19883 1 73 . 1 1 8 8 LYS HG3 H 1 1.491 0.020 . 2 . . . A 8 LYS HG3 . 19883 1 74 . 1 1 8 8 LYS HD2 H 1 1.717 0.020 . 2 . . . A 8 LYS HD2 . 19883 1 75 . 1 1 8 8 LYS HD3 H 1 1.717 0.020 . 2 . . . A 8 LYS HD3 . 19883 1 76 . 1 1 8 8 LYS HE2 H 1 3.011 0.020 . 2 . . . A 8 LYS HE2 . 19883 1 77 . 1 1 8 8 LYS HE3 H 1 3.011 0.020 . 2 . . . A 8 LYS HE3 . 19883 1 78 . 1 1 8 8 LYS CA C 13 57.923 0.020 . 1 . . . A 8 LYS CA . 19883 1 79 . 1 1 8 8 LYS CB C 13 32.826 0.020 . 1 . . . A 8 LYS CB . 19883 1 80 . 1 1 8 8 LYS CG C 13 25.296 0.020 . 1 . . . A 8 LYS CG . 19883 1 81 . 1 1 8 8 LYS CD C 13 29.238 0.020 . 1 . . . A 8 LYS CD . 19883 1 82 . 1 1 8 8 LYS CE C 13 42.363 0.020 . 1 . . . A 8 LYS CE . 19883 1 83 . 1 1 9 9 VAL H H 1 7.62 0.020 . 1 . . . A 9 VAL H . 19883 1 84 . 1 1 9 9 VAL HA H 1 3.991 0.020 . 1 . . . A 9 VAL HA . 19883 1 85 . 1 1 9 9 VAL HB H 1 2.276 0.020 . 1 . . . A 9 VAL HB . 19883 1 86 . 1 1 9 9 VAL HG11 H 1 1.036 0.020 . 2 . . . A 9 VAL HG11 . 19883 1 87 . 1 1 9 9 VAL HG12 H 1 1.036 0.020 . 2 . . . A 9 VAL HG12 . 19883 1 88 . 1 1 9 9 VAL HG13 H 1 1.036 0.020 . 2 . . . A 9 VAL HG13 . 19883 1 89 . 1 1 9 9 VAL HG21 H 1 0.993 0.020 . 2 . . . A 9 VAL HG21 . 19883 1 90 . 1 1 9 9 VAL HG22 H 1 0.993 0.020 . 2 . . . A 9 VAL HG22 . 19883 1 91 . 1 1 9 9 VAL HG23 H 1 0.993 0.020 . 2 . . . A 9 VAL HG23 . 19883 1 92 . 1 1 9 9 VAL CA C 13 64.403 0.020 . 1 . . . A 9 VAL CA . 19883 1 93 . 1 1 9 9 VAL CB C 13 32.244 0.020 . 1 . . . A 9 VAL CB . 19883 1 94 . 1 1 9 9 VAL CG1 C 13 21.477 0.020 . 2 . . . A 9 VAL CG1 . 19883 1 95 . 1 1 9 9 VAL CG2 C 13 20.678 0.020 . 2 . . . A 9 VAL CG2 . 19883 1 96 . 1 1 10 10 ALA H H 1 8.085 0.020 . 1 . . . A 10 ALA H . 19883 1 97 . 1 1 10 10 ALA HA H 1 4.22 0.020 . 1 . . . A 10 ALA HA . 19883 1 98 . 1 1 10 10 ALA HB1 H 1 1.414 0.020 . 1 . . . A 10 ALA HB1 . 19883 1 99 . 1 1 10 10 ALA HB2 H 1 1.414 0.020 . 1 . . . A 10 ALA HB2 . 19883 1 100 . 1 1 10 10 ALA HB3 H 1 1.414 0.020 . 1 . . . A 10 ALA HB3 . 19883 1 101 . 1 1 10 10 ALA CA C 13 53.2 0.020 . 1 . . . A 10 ALA CA . 19883 1 102 . 1 1 10 10 ALA CB C 13 18.992 0.020 . 1 . . . A 10 ALA CB . 19883 1 103 . 1 1 11 11 ALA H H 1 7.386 0.020 . 1 . . . A 11 ALA H . 19883 1 104 . 1 1 11 11 ALA HA H 1 4.259 0.020 . 1 . . . A 11 ALA HA . 19883 1 105 . 1 1 11 11 ALA HB1 H 1 1.316 0.020 . 1 . . . A 11 ALA HB1 . 19883 1 106 . 1 1 11 11 ALA HB2 H 1 1.316 0.020 . 1 . . . A 11 ALA HB2 . 19883 1 107 . 1 1 11 11 ALA HB3 H 1 1.316 0.020 . 1 . . . A 11 ALA HB3 . 19883 1 108 . 1 1 11 11 ALA CA C 13 54.466 0.020 . 1 . . . A 11 ALA CA . 19883 1 109 . 1 1 11 11 ALA CB C 13 19.532 0.020 . 1 . . . A 11 ALA CB . 19883 1 110 . 1 1 12 12 HIS H H 1 8.042 0.020 . 1 . . . A 12 HIS H . 19883 1 111 . 1 1 12 12 HIS HA H 1 5.038 0.020 . 1 . . . A 12 HIS HA . 19883 1 112 . 1 1 12 12 HIS HB2 H 1 3.263 0.020 . 2 . . . A 12 HIS HB2 . 19883 1 113 . 1 1 12 12 HIS HB3 H 1 3.168 0.020 . 2 . . . A 12 HIS HB3 . 19883 1 114 . 1 1 12 12 HIS HD2 H 1 7.34 0.020 . 1 . . . A 12 HIS HD2 . 19883 1 115 . 1 1 12 12 HIS CA C 13 52.542 0.020 . 1 . . . A 12 HIS CA . 19883 1 116 . 1 1 12 12 HIS CB C 13 29.82 0.020 . 1 . . . A 12 HIS CB . 19883 1 117 . 1 1 13 13 I4G CA C 13 53.213 0.020 . 1 . . . A 13 I4G CA . 19883 1 118 . 1 1 13 13 I4G CB C 13 59.297 0.020 . 1 . . . A 13 I4G CB . 19883 1 119 . 1 1 13 13 I4G CD1 C 13 22.141 0.020 . 2 . . . A 13 I4G CD1 . 19883 1 120 . 1 1 13 13 I4G CD2 C 13 24.448 0.020 . 2 . . . A 13 I4G CD2 . 19883 1 121 . 1 1 13 13 I4G CG C 13 30.152 0.020 . 1 . . . A 13 I4G CG . 19883 1 122 . 1 1 13 13 I4G HA2 H 1 4.262 0.020 . 2 . . . A 13 I4G HA2 . 19883 1 123 . 1 1 13 13 I4G HA3 H 1 4.191 0.020 . 2 . . . A 13 I4G HA3 . 19883 1 124 . 1 1 13 13 I4G HB H 1 3.262 0.020 . 2 . . . A 13 I4G HB . 19883 1 125 . 1 1 13 13 I4G HD H 1 0.898 0.020 . 2 . . . A 13 I4G HD . 19883 1 126 . 1 1 13 13 I4G HG H 1 1.899 0.020 . 1 . . . A 13 I4G HG . 19883 1 127 . 1 1 14 14 VAL H H 1 8.167 0.020 . 1 . . . A 14 VAL H . 19883 1 128 . 1 1 14 14 VAL HA H 1 4.126 0.020 . 1 . . . A 14 VAL HA . 19883 1 129 . 1 1 14 14 VAL HB H 1 2.281 0.020 . 1 . . . A 14 VAL HB . 19883 1 130 . 1 1 14 14 VAL HG11 H 1 0.993 0.020 . 2 . . . A 14 VAL HG11 . 19883 1 131 . 1 1 14 14 VAL HG12 H 1 0.993 0.020 . 2 . . . A 14 VAL HG12 . 19883 1 132 . 1 1 14 14 VAL HG13 H 1 0.993 0.020 . 2 . . . A 14 VAL HG13 . 19883 1 133 . 1 1 14 14 VAL HG21 H 1 0.993 0.020 . 2 . . . A 14 VAL HG21 . 19883 1 134 . 1 1 14 14 VAL HG22 H 1 0.993 0.020 . 2 . . . A 14 VAL HG22 . 19883 1 135 . 1 1 14 14 VAL HG23 H 1 0.993 0.020 . 2 . . . A 14 VAL HG23 . 19883 1 136 . 1 1 14 14 VAL CA C 13 63.419 0.020 . 1 . . . A 14 VAL CA . 19883 1 137 . 1 1 14 14 VAL CB C 13 32.223 0.020 . 1 . . . A 14 VAL CB . 19883 1 138 . 1 1 14 14 VAL CG1 C 13 21.622 0.020 . 2 . . . A 14 VAL CG1 . 19883 1 139 . 1 1 15 15 GLY H H 1 8.506 0.020 . 1 . . . A 15 GLY H . 19883 1 140 . 1 1 15 15 GLY HA2 H 1 4.046 0.020 . 2 . . . A 15 GLY HA2 . 19883 1 141 . 1 1 15 15 GLY HA3 H 1 3.954 0.020 . 2 . . . A 15 GLY HA3 . 19883 1 142 . 1 1 15 15 GLY CA C 13 46.582 0.020 . 1 . . . A 15 GLY CA . 19883 1 143 . 1 1 16 16 ALA H H 1 7.936 0.020 . 1 . . . A 16 ALA H . 19883 1 144 . 1 1 16 16 ALA HA H 1 4.266 0.020 . 1 . . . A 16 ALA HA . 19883 1 145 . 1 1 16 16 ALA HB1 H 1 1.459 0.020 . 1 . . . A 16 ALA HB1 . 19883 1 146 . 1 1 16 16 ALA HB2 H 1 1.459 0.020 . 1 . . . A 16 ALA HB2 . 19883 1 147 . 1 1 16 16 ALA HB3 H 1 1.459 0.020 . 1 . . . A 16 ALA HB3 . 19883 1 148 . 1 1 16 16 ALA CA C 13 54.468 0.020 . 1 . . . A 16 ALA CA . 19883 1 149 . 1 1 16 16 ALA CB C 13 19.064 0.020 . 1 . . . A 16 ALA CB . 19883 1 150 . 1 1 17 17 ILE H H 1 7.934 0.020 . 1 . . . A 17 ILE H . 19883 1 151 . 1 1 17 17 ILE HA H 1 3.822 0.020 . 1 . . . A 17 ILE HA . 19883 1 152 . 1 1 17 17 ILE HB H 1 2.138 0.020 . 1 . . . A 17 ILE HB . 19883 1 153 . 1 1 17 17 ILE HG12 H 1 1.747 0.020 . 2 . . . A 17 ILE HG12 . 19883 1 154 . 1 1 17 17 ILE HG13 H 1 1.201 0.020 . 2 . . . A 17 ILE HG13 . 19883 1 155 . 1 1 17 17 ILE HG21 H 1 1.017 0.020 . 1 . . . A 17 ILE HG21 . 19883 1 156 . 1 1 17 17 ILE HG22 H 1 1.017 0.020 . 1 . . . A 17 ILE HG22 . 19883 1 157 . 1 1 17 17 ILE HG23 H 1 1.017 0.020 . 1 . . . A 17 ILE HG23 . 19883 1 158 . 1 1 17 17 ILE HD11 H 1 0.915 0.020 . 1 . . . A 17 ILE HD11 . 19883 1 159 . 1 1 17 17 ILE HD12 H 1 0.915 0.020 . 1 . . . A 17 ILE HD12 . 19883 1 160 . 1 1 17 17 ILE HD13 H 1 0.915 0.020 . 1 . . . A 17 ILE HD13 . 19883 1 161 . 1 1 17 17 ILE CA C 13 64.801 0.020 . 1 . . . A 17 ILE CA . 19883 1 162 . 1 1 17 17 ILE CB C 13 37.562 0.020 . 1 . . . A 17 ILE CB . 19883 1 163 . 1 1 17 17 ILE CG1 C 13 28.994 0.020 . 1 . . . A 17 ILE CG1 . 19883 1 164 . 1 1 18 18 ALA H H 1 8.147 0.020 . 1 . . . A 18 ALA H . 19883 1 165 . 1 1 18 18 ALA HA H 1 4.089 0.020 . 1 . . . A 18 ALA HA . 19883 1 166 . 1 1 18 18 ALA HB1 H 1 1.484 0.020 . 1 . . . A 18 ALA HB1 . 19883 1 167 . 1 1 18 18 ALA HB2 H 1 1.484 0.020 . 1 . . . A 18 ALA HB2 . 19883 1 168 . 1 1 18 18 ALA HB3 H 1 1.484 0.020 . 1 . . . A 18 ALA HB3 . 19883 1 169 . 1 1 18 18 ALA CA C 13 55.146 0.020 . 1 . . . A 18 ALA CA . 19883 1 170 . 1 1 18 18 ALA CB C 13 18.347 0.020 . 1 . . . A 18 ALA CB . 19883 1 171 . 1 1 19 19 GLU H H 1 7.911 0.020 . 1 . . . A 19 GLU H . 19883 1 172 . 1 1 19 19 GLU HA H 1 4.048 0.020 . 1 . . . A 19 GLU HA . 19883 1 173 . 1 1 19 19 GLU HB2 H 1 2.018 0.020 . 2 . . . A 19 GLU HB2 . 19883 1 174 . 1 1 19 19 GLU HB3 H 1 1.99 0.020 . 2 . . . A 19 GLU HB3 . 19883 1 175 . 1 1 19 19 GLU HG2 H 1 2.271 0.020 . 2 . . . A 19 GLU HG2 . 19883 1 176 . 1 1 19 19 GLU HG3 H 1 2.208 0.020 . 2 . . . A 19 GLU HG3 . 19883 1 177 . 1 1 19 19 GLU CA C 13 58.366 0.020 . 1 . . . A 19 GLU CA . 19883 1 178 . 1 1 19 19 GLU CB C 13 29.668 0.020 . 1 . . . A 19 GLU CB . 19883 1 179 . 1 1 19 19 GLU CG C 13 36.088 0.020 . 1 . . . A 19 GLU CG . 19883 1 180 . 1 1 20 20 HIS H H 1 7.811 0.020 . 1 . . . A 20 HIS H . 19883 1 181 . 1 1 20 20 HIS HA H 1 4.279 0.020 . 1 . . . A 20 HIS HA . 19883 1 182 . 1 1 20 20 HIS HB2 H 1 2.989 0.020 . 2 . . . A 20 HIS HB2 . 19883 1 183 . 1 1 20 20 HIS HB3 H 1 2.989 0.020 . 2 . . . A 20 HIS HB3 . 19883 1 184 . 1 1 20 20 HIS HD2 H 1 6.363 0.020 . 1 . . . A 20 HIS HD2 . 19883 1 185 . 1 1 20 20 HIS CA C 13 57.953 0.020 . 1 . . . A 20 HIS CA . 19883 1 186 . 1 1 20 20 HIS CB C 13 28.968 0.020 . 1 . . . A 20 HIS CB . 19883 1 187 . 1 1 21 21 PHE H H 1 7.797 0.020 . 1 . . . A 21 PHE H . 19883 1 188 . 1 1 21 21 PHE HA H 1 4.524 0.020 . 1 . . . A 21 PHE HA . 19883 1 189 . 1 1 21 21 PHE HB2 H 1 3.327 0.020 . 2 . . . A 21 PHE HB2 . 19883 1 190 . 1 1 21 21 PHE HB3 H 1 2.866 0.020 . 2 . . . A 21 PHE HB3 . 19883 1 191 . 1 1 21 21 PHE HD1 H 1 7.441 0.020 . 3 . . . A 21 PHE HD1 . 19883 1 192 . 1 1 21 21 PHE HD2 H 1 7.441 0.020 . 3 . . . A 21 PHE HD2 . 19883 1 193 . 1 1 21 21 PHE HE1 H 1 7.291 0.020 . 3 . . . A 21 PHE HE1 . 19883 1 194 . 1 1 21 21 PHE HE2 H 1 7.291 0.020 . 3 . . . A 21 PHE HE2 . 19883 1 195 . 1 1 21 21 PHE HZ H 1 7.17 0.020 . 1 . . . A 21 PHE HZ . 19883 1 196 . 1 1 21 21 PHE CB C 13 40.468 0.020 . 1 . . . A 21 PHE CB . 19883 1 197 . 1 1 21 21 PHE CD2 C 13 132.36 0.020 . 3 . . . A 21 PHE CD2 . 19883 1 198 . 1 1 21 21 PHE CE2 C 13 131.279 0.020 . 3 . . . A 21 PHE CE2 . 19883 1 199 . 1 1 21 21 PHE CZ C 13 129.332 0.020 . 1 . . . A 21 PHE CZ . 19883 1 200 . 1 1 22 22 NH2 HN1 H 1 7.303 0.020 . 2 . . . A 22 NH2 HN1 . 19883 1 201 . 1 1 22 22 NH2 HN2 H 1 7.001 0.020 . 2 . . . A 22 NH2 HN2 . 19883 1 stop_ save_