################################### # 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 16268 _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 TOCSY' . . . 16268 1 2 '2D 1H-1H NOESY' . . . 16268 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 ASP HA H 1 4.388 0.020 . 1 . . . . 1 ASP HA . 16268 1 2 . 1 1 1 1 ASP HB2 H 1 3.135 0.020 . 2 . . . . 1 ASP HB2 . 16268 1 3 . 1 1 1 1 ASP HB3 H 1 3.034 0.020 . 2 . . . . 1 ASP HB3 . 16268 1 4 . 1 1 2 2 VAL H H 1 8.686 0.020 . 1 . . . . 2 VAL H . 16268 1 5 . 1 1 2 2 VAL HA H 1 4.058 0.020 . 1 . . . . 2 VAL HA . 16268 1 6 . 1 1 2 2 VAL HB H 1 2.217 0.020 . 1 . . . . 2 VAL HB . 16268 1 7 . 1 1 2 2 VAL HG11 H 1 1.092 0.020 . 1 . . . . 2 VAL HG1 . 16268 1 8 . 1 1 2 2 VAL HG12 H 1 1.092 0.020 . 1 . . . . 2 VAL HG1 . 16268 1 9 . 1 1 2 2 VAL HG13 H 1 1.092 0.020 . 1 . . . . 2 VAL HG1 . 16268 1 10 . 1 1 2 2 VAL HG21 H 1 1.038 0.020 . 1 . . . . 2 VAL HG2 . 16268 1 11 . 1 1 2 2 VAL HG22 H 1 1.038 0.020 . 1 . . . . 2 VAL HG2 . 16268 1 12 . 1 1 2 2 VAL HG23 H 1 1.038 0.020 . 1 . . . . 2 VAL HG2 . 16268 1 13 . 1 1 3 3 ARG H H 1 8.102 0.020 . 1 . . . . 3 ARG H . 16268 1 14 . 1 1 3 3 ARG HA H 1 4.060 0.020 . 1 . . . . 3 ARG HA . 16268 1 15 . 1 1 3 3 ARG HB2 H 1 1.923 0.020 . 2 . . . . 3 ARG HB2 . 16268 1 16 . 1 1 3 3 ARG HB3 H 1 1.975 0.020 . 2 . . . . 3 ARG HB3 . 16268 1 17 . 1 1 3 3 ARG HD2 H 1 3.265 0.020 . 2 . . . . 3 ARG HD2 . 16268 1 18 . 1 1 3 3 ARG HD3 H 1 3.224 0.020 . 2 . . . . 3 ARG HD3 . 16268 1 19 . 1 1 3 3 ARG HE H 1 7.520 0.020 . 1 . . . . 3 ARG HE . 16268 1 20 . 1 1 3 3 ARG HG2 H 1 1.670 0.020 . 2 . . . . 3 ARG HG2 . 16268 1 21 . 1 1 3 3 ARG HG3 H 1 1.750 0.020 . 2 . . . . 3 ARG HG3 . 16268 1 22 . 1 1 4 4 LEU H H 1 7.956 0.020 . 1 . . . . 4 LEU H . 16268 1 23 . 1 1 4 4 LEU HA H 1 4.211 0.020 . 1 . . . . 4 LEU HA . 16268 1 24 . 1 1 4 4 LEU HB2 H 1 1.700 0.020 . 2 . . . . 4 LEU HB2 . 16268 1 25 . 1 1 4 4 LEU HB3 H 1 1.806 0.020 . 2 . . . . 4 LEU HB3 . 16268 1 26 . 1 1 4 4 LEU HD11 H 1 0.977 0.020 . 1 . . . . 4 LEU HD1 . 16268 1 27 . 1 1 4 4 LEU HD12 H 1 0.977 0.020 . 1 . . . . 4 LEU HD1 . 16268 1 28 . 1 1 4 4 LEU HD13 H 1 0.977 0.020 . 1 . . . . 4 LEU HD1 . 16268 1 29 . 1 1 4 4 LEU HD21 H 1 0.977 0.020 . 1 . . . . 4 LEU HD2 . 16268 1 30 . 1 1 4 4 LEU HD22 H 1 0.977 0.020 . 1 . . . . 4 LEU HD2 . 16268 1 31 . 1 1 4 4 LEU HD23 H 1 0.977 0.020 . 1 . . . . 4 LEU HD2 . 16268 1 32 . 1 1 5 5 ALA H H 1 7.815 0.020 . 1 . . . . 5 ALA H . 16268 1 33 . 1 1 5 5 ALA HA H 1 4.080 0.020 . 1 . . . . 5 ALA HA . 16268 1 34 . 1 1 5 5 ALA HB1 H 1 1.528 0.020 . 1 . . . . 5 ALA HB . 16268 1 35 . 1 1 5 5 ALA HB2 H 1 1.528 0.020 . 1 . . . . 5 ALA HB . 16268 1 36 . 1 1 5 5 ALA HB3 H 1 1.528 0.020 . 1 . . . . 5 ALA HB . 16268 1 37 . 1 1 6 6 LYS H H 1 8.331 0.020 . 1 . . . . 6 LYS H . 16268 1 38 . 1 1 6 6 LYS HA H 1 4.148 0.020 . 1 . . . . 6 LYS HA . 16268 1 39 . 1 1 6 6 LYS HB2 H 1 1.945 0.020 . 2 . . . . 6 LYS HB2 . 16268 1 40 . 1 1 6 6 LYS HB3 H 1 1.969 0.020 . 2 . . . . 6 LYS HB3 . 16268 1 41 . 1 1 6 6 LYS HD2 H 1 1.656 0.020 . 2 . . . . 6 LYS HD2 . 16268 1 42 . 1 1 6 6 LYS HD3 H 1 1.707 0.020 . 2 . . . . 6 LYS HD3 . 16268 1 43 . 1 1 6 6 LYS HE2 H 1 2.970 0.020 . 1 . . . . 6 LYS HE2 . 16268 1 44 . 1 1 6 6 LYS HE3 H 1 2.970 0.020 . 1 . . . . 6 LYS HE3 . 16268 1 45 . 1 1 6 6 LYS HG2 H 1 1.408 0.020 . 2 . . . . 6 LYS HG2 . 16268 1 46 . 1 1 6 6 LYS HG3 H 1 1.273 0.020 . 2 . . . . 6 LYS HG3 . 16268 1 47 . 1 1 7 7 THR H H 1 7.897 0.020 . 1 . . . . 7 THR H . 16268 1 48 . 1 1 7 7 THR HA H 1 4.397 0.020 . 1 . . . . 7 THR HA . 16268 1 49 . 1 1 7 7 THR HB H 1 4.050 0.020 . 1 . . . . 7 THR HB . 16268 1 50 . 1 1 7 7 THR HG21 H 1 1.274 0.020 . 1 . . . . 7 THR HG2 . 16268 1 51 . 1 1 7 7 THR HG22 H 1 1.274 0.020 . 1 . . . . 7 THR HG2 . 16268 1 52 . 1 1 7 7 THR HG23 H 1 1.274 0.020 . 1 . . . . 7 THR HG2 . 16268 1 53 . 1 1 8 8 LEU H H 1 8.449 0.020 . 1 . . . . 8 LEU H . 16268 1 54 . 1 1 8 8 LEU HB2 H 1 1.789 0.020 . 2 . . . . 8 LEU HB2 . 16268 1 55 . 1 1 8 8 LEU HB3 H 1 1.628 0.020 . 2 . . . . 8 LEU HB3 . 16268 1 56 . 1 1 8 8 LEU HD11 H 1 0.890 0.020 . 1 . . . . 8 LEU HD1 . 16268 1 57 . 1 1 8 8 LEU HD12 H 1 0.890 0.020 . 1 . . . . 8 LEU HD1 . 16268 1 58 . 1 1 8 8 LEU HD13 H 1 0.890 0.020 . 1 . . . . 8 LEU HD1 . 16268 1 59 . 1 1 8 8 LEU HD21 H 1 0.992 0.020 . 1 . . . . 8 LEU HD2 . 16268 1 60 . 1 1 8 8 LEU HD22 H 1 0.992 0.020 . 1 . . . . 8 LEU HD2 . 16268 1 61 . 1 1 8 8 LEU HD23 H 1 0.992 0.020 . 1 . . . . 8 LEU HD2 . 16268 1 62 . 1 1 8 8 LEU HG H 1 1.527 0.020 . 1 . . . . 8 LEU HG . 16268 1 63 . 1 1 9 9 GLY H H 1 8.015 0.020 . 1 . . . . 9 GLY H . 16268 1 64 . 1 1 9 9 GLY HA2 H 1 3.819 0.020 . 2 . . . . 9 GLY HA2 . 16268 1 65 . 1 1 9 9 GLY HA3 H 1 3.874 0.020 . 2 . . . . 9 GLY HA3 . 16268 1 66 . 1 1 10 10 LEU H H 1 7.608 0.020 . 1 . . . . 10 LEU H . 16268 1 67 . 1 1 10 10 LEU HA H 1 4.306 0.020 . 1 . . . . 10 LEU HA . 16268 1 68 . 1 1 10 10 LEU HB2 H 1 1.907 0.020 . 2 . . . . 10 LEU HB2 . 16268 1 69 . 1 1 10 10 LEU HB3 H 1 1.828 0.020 . 2 . . . . 10 LEU HB3 . 16268 1 70 . 1 1 10 10 LEU HD11 H 1 0.877 0.020 . 1 . . . . 10 LEU HD1 . 16268 1 71 . 1 1 10 10 LEU HD12 H 1 0.877 0.020 . 1 . . . . 10 LEU HD1 . 16268 1 72 . 1 1 10 10 LEU HD13 H 1 0.877 0.020 . 1 . . . . 10 LEU HD1 . 16268 1 73 . 1 1 10 10 LEU HD21 H 1 0.951 0.020 . 1 . . . . 10 LEU HD2 . 16268 1 74 . 1 1 10 10 LEU HD22 H 1 0.951 0.020 . 1 . . . . 10 LEU HD2 . 16268 1 75 . 1 1 10 10 LEU HD23 H 1 0.951 0.020 . 1 . . . . 10 LEU HD2 . 16268 1 76 . 1 1 11 11 VAL H H 1 7.919 0.020 . 1 . . . . 11 VAL H . 16268 1 77 . 1 1 11 11 VAL HA H 1 3.583 0.020 . 1 . . . . 11 VAL HA . 16268 1 78 . 1 1 11 11 VAL HB H 1 2.241 0.020 . 1 . . . . 11 VAL HB . 16268 1 79 . 1 1 11 11 VAL HG11 H 1 1.083 0.020 . 1 . . . . 11 VAL HG1 . 16268 1 80 . 1 1 11 11 VAL HG12 H 1 1.083 0.020 . 1 . . . . 11 VAL HG1 . 16268 1 81 . 1 1 11 11 VAL HG13 H 1 1.083 0.020 . 1 . . . . 11 VAL HG1 . 16268 1 82 . 1 1 11 11 VAL HG21 H 1 0.948 0.020 . 1 . . . . 11 VAL HG2 . 16268 1 83 . 1 1 11 11 VAL HG22 H 1 0.948 0.020 . 1 . . . . 11 VAL HG2 . 16268 1 84 . 1 1 11 11 VAL HG23 H 1 0.948 0.020 . 1 . . . . 11 VAL HG2 . 16268 1 85 . 1 1 12 12 LEU H H 1 8.284 0.020 . 1 . . . . 12 LEU H . 16268 1 86 . 1 1 12 12 LEU HA H 1 4.097 0.020 . 1 . . . . 12 LEU HA . 16268 1 87 . 1 1 12 12 LEU HB2 H 1 1.822 0.020 . 2 . . . . 12 LEU HB2 . 16268 1 88 . 1 1 12 12 LEU HB3 H 1 1.614 0.020 . 2 . . . . 12 LEU HB3 . 16268 1 89 . 1 1 12 12 LEU HD11 H 1 0.888 0.020 . 1 . . . . 12 LEU HD1 . 16268 1 90 . 1 1 12 12 LEU HD12 H 1 0.888 0.020 . 1 . . . . 12 LEU HD1 . 16268 1 91 . 1 1 12 12 LEU HD13 H 1 0.888 0.020 . 1 . . . . 12 LEU HD1 . 16268 1 92 . 1 1 12 12 LEU HD21 H 1 0.964 0.020 . 1 . . . . 12 LEU HD2 . 16268 1 93 . 1 1 12 12 LEU HD22 H 1 0.964 0.020 . 1 . . . . 12 LEU HD2 . 16268 1 94 . 1 1 12 12 LEU HD23 H 1 0.964 0.020 . 1 . . . . 12 LEU HD2 . 16268 1 95 . 1 1 13 13 ALA H H 1 7.639 0.020 . 1 . . . . 13 ALA H . 16268 1 96 . 1 1 13 13 ALA HA H 1 4.094 0.020 . 1 . . . . 13 ALA HA . 16268 1 97 . 1 1 13 13 ALA HB1 H 1 1.583 0.020 . 1 . . . . 13 ALA HB . 16268 1 98 . 1 1 13 13 ALA HB2 H 1 1.583 0.020 . 1 . . . . 13 ALA HB . 16268 1 99 . 1 1 13 13 ALA HB3 H 1 1.583 0.020 . 1 . . . . 13 ALA HB . 16268 1 100 . 1 1 14 14 VAL H H 1 8.068 0.020 . 1 . . . . 14 VAL H . 16268 1 101 . 1 1 14 14 VAL HA H 1 3.680 0.020 . 1 . . . . 14 VAL HA . 16268 1 102 . 1 1 14 14 VAL HB H 1 2.303 0.020 . 1 . . . . 14 VAL HB . 16268 1 103 . 1 1 14 14 VAL HG11 H 1 1.100 0.020 . 1 . . . . 14 VAL HG1 . 16268 1 104 . 1 1 14 14 VAL HG12 H 1 1.100 0.020 . 1 . . . . 14 VAL HG1 . 16268 1 105 . 1 1 14 14 VAL HG13 H 1 1.100 0.020 . 1 . . . . 14 VAL HG1 . 16268 1 106 . 1 1 14 14 VAL HG21 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16268 1 107 . 1 1 14 14 VAL HG22 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16268 1 108 . 1 1 14 14 VAL HG23 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16268 1 109 . 1 1 15 15 LEU H H 1 8.389 0.020 . 1 . . . . 15 LEU H . 16268 1 110 . 1 1 15 15 LEU HA H 1 4.111 0.020 . 1 . . . . 15 LEU HA . 16268 1 111 . 1 1 15 15 LEU HB2 H 1 1.983 0.020 . 2 . . . . 15 LEU HB2 . 16268 1 112 . 1 1 15 15 LEU HB3 H 1 1.897 0.020 . 2 . . . . 15 LEU HB3 . 16268 1 113 . 1 1 15 15 LEU HD11 H 1 0.875 0.020 . 1 . . . . 15 LEU HD1 . 16268 1 114 . 1 1 15 15 LEU HD12 H 1 0.875 0.020 . 1 . . . . 15 LEU HD1 . 16268 1 115 . 1 1 15 15 LEU HD13 H 1 0.875 0.020 . 1 . . . . 15 LEU HD1 . 16268 1 116 . 1 1 15 15 LEU HD21 H 1 0.829 0.020 . 1 . . . . 15 LEU HD2 . 16268 1 117 . 1 1 15 15 LEU HD22 H 1 0.829 0.020 . 1 . . . . 15 LEU HD2 . 16268 1 118 . 1 1 15 15 LEU HD23 H 1 0.829 0.020 . 1 . . . . 15 LEU HD2 . 16268 1 119 . 1 1 15 15 LEU HG H 1 1.482 0.020 . 1 . . . . 15 LEU HG . 16268 1 120 . 1 1 16 16 LEU H H 1 8.354 0.020 . 1 . . . . 16 LEU H . 16268 1 121 . 1 1 16 16 LEU HA H 1 4.210 0.020 . 1 . . . . 16 LEU HA . 16268 1 122 . 1 1 16 16 LEU HB2 H 1 1.970 0.020 . 2 . . . . 16 LEU HB2 . 16268 1 123 . 1 1 16 16 LEU HB3 H 1 1.658 0.020 . 2 . . . . 16 LEU HB3 . 16268 1 124 . 1 1 16 16 LEU HD11 H 1 0.888 0.020 . 1 . . . . 16 LEU HD1 . 16268 1 125 . 1 1 16 16 LEU HD12 H 1 0.888 0.020 . 1 . . . . 16 LEU HD1 . 16268 1 126 . 1 1 16 16 LEU HD13 H 1 0.888 0.020 . 1 . . . . 16 LEU HD1 . 16268 1 127 . 1 1 16 16 LEU HD21 H 1 0.967 0.020 . 1 . . . . 16 LEU HD2 . 16268 1 128 . 1 1 16 16 LEU HD22 H 1 0.967 0.020 . 1 . . . . 16 LEU HD2 . 16268 1 129 . 1 1 16 16 LEU HD23 H 1 0.967 0.020 . 1 . . . . 16 LEU HD2 . 16268 1 130 . 1 1 16 16 LEU HG H 1 1.400 0.020 . 1 . . . . 16 LEU HG . 16268 1 131 . 1 1 17 17 ILE H H 1 8.214 0.020 . 1 . . . . 17 ILE H . 16268 1 132 . 1 1 17 17 ILE HA H 1 3.908 0.020 . 1 . . . . 17 ILE HA . 16268 1 133 . 1 1 17 17 ILE HB H 1 2.085 0.020 . 1 . . . . 17 ILE HB . 16268 1 134 . 1 1 17 17 ILE HD11 H 1 0.879 0.020 . 1 . . . . 17 ILE HD1 . 16268 1 135 . 1 1 17 17 ILE HD12 H 1 0.879 0.020 . 1 . . . . 17 ILE HD1 . 16268 1 136 . 1 1 17 17 ILE HD13 H 1 0.879 0.020 . 1 . . . . 17 ILE HD1 . 16268 1 137 . 1 1 17 17 ILE HG12 H 1 1.213 0.020 . 1 . . . . 17 ILE HG12 . 16268 1 138 . 1 1 17 17 ILE HG13 H 1 1.213 0.020 . 1 . . . . 17 ILE HG13 . 16268 1 139 . 1 1 17 17 ILE HG21 H 1 0.978 0.020 . 1 . . . . 17 ILE HG2 . 16268 1 140 . 1 1 17 17 ILE HG22 H 1 0.978 0.020 . 1 . . . . 17 ILE HG2 . 16268 1 141 . 1 1 17 17 ILE HG23 H 1 0.978 0.020 . 1 . . . . 17 ILE HG2 . 16268 1 142 . 1 1 18 18 CYS H H 1 8.246 0.020 . 1 . . . . 18 CYS H . 16268 1 143 . 1 1 18 18 CYS HA H 1 4.289 0.020 . 1 . . . . 18 CYS HA . 16268 1 144 . 1 1 18 18 CYS HB2 H 1 2.673 0.020 . 2 . . . . 18 CYS HB2 . 16268 1 145 . 1 1 18 18 CYS HB3 H 1 3.033 0.020 . 2 . . . . 18 CYS HB3 . 16268 1 146 . 1 1 19 19 TRP H H 1 8.284 0.020 . 1 . . . . 19 TRP H . 16268 1 147 . 1 1 19 19 TRP HA H 1 4.872 0.020 . 1 . . . . 19 TRP HA . 16268 1 148 . 1 1 19 19 TRP HB2 H 1 3.309 0.020 . 2 . . . . 19 TRP HB2 . 16268 1 149 . 1 1 19 19 TRP HB3 H 1 3.423 0.020 . 2 . . . . 19 TRP HB3 . 16268 1 150 . 1 1 19 19 TRP HD1 H 1 7.181 0.020 . 1 . . . . 19 TRP HD1 . 16268 1 151 . 1 1 19 19 TRP HE1 H 1 9.324 0.020 . 1 . . . . 19 TRP HE1 . 16268 1 152 . 1 1 19 19 TRP HE3 H 1 7.563 0.020 . 1 . . . . 19 TRP HE3 . 16268 1 153 . 1 1 19 19 TRP HH2 H 1 7.161 0.020 . 1 . . . . 19 TRP HH2 . 16268 1 154 . 1 1 19 19 TRP HZ2 H 1 7.379 0.020 . 1 . . . . 19 TRP HZ2 . 16268 1 155 . 1 1 19 19 TRP HZ3 H 1 7.074 0.020 . 1 . . . . 19 TRP HZ3 . 16268 1 156 . 1 1 20 20 PHE H H 1 8.548 0.020 . 1 . . . . 20 PHE H . 16268 1 157 . 1 1 20 20 PHE HA H 1 4.513 0.020 . 1 . . . . 20 PHE HA . 16268 1 158 . 1 1 20 20 PHE HB2 H 1 3.459 0.020 . 2 . . . . 20 PHE HB2 . 16268 1 159 . 1 1 20 20 PHE HB3 H 1 3.223 0.020 . 2 . . . . 20 PHE HB3 . 16268 1 160 . 1 1 20 20 PHE HD1 H 1 7.216 0.020 . 1 . . . . 20 PHE HD1 . 16268 1 161 . 1 1 20 20 PHE HD2 H 1 7.216 0.020 . 1 . . . . 20 PHE HD2 . 16268 1 162 . 1 1 20 20 PHE HE1 H 1 7.278 0.020 . 1 . . . . 20 PHE HE1 . 16268 1 163 . 1 1 20 20 PHE HE2 H 1 7.278 0.020 . 1 . . . . 20 PHE HE2 . 16268 1 164 . 1 1 21 21 PRO HA H 1 4.215 0.020 . 1 . . . . 21 PRO HA . 16268 1 165 . 1 1 21 21 PRO HB2 H 1 2.140 0.020 . 2 . . . . 21 PRO HB2 . 16268 1 166 . 1 1 21 21 PRO HB3 H 1 1.995 0.020 . 2 . . . . 21 PRO HB3 . 16268 1 167 . 1 1 21 21 PRO HD2 H 1 3.546 0.020 . 1 . . . . 21 PRO HD2 . 16268 1 168 . 1 1 21 21 PRO HD3 H 1 3.546 0.020 . 1 . . . . 21 PRO HD3 . 16268 1 169 . 1 1 21 21 PRO HG2 H 1 1.812 0.020 . 2 . . . . 21 PRO HG2 . 16268 1 170 . 1 1 21 21 PRO HG3 H 1 1.711 0.020 . 2 . . . . 21 PRO HG3 . 16268 1 171 . 1 1 22 22 VAL H H 1 7.204 0.020 . 1 . . . . 22 VAL H . 16268 1 172 . 1 1 22 22 VAL HA H 1 3.738 0.020 . 1 . . . . 22 VAL HA . 16268 1 173 . 1 1 22 22 VAL HB H 1 2.266 0.020 . 1 . . . . 22 VAL HB . 16268 1 174 . 1 1 22 22 VAL HG11 H 1 1.070 0.020 . 1 . . . . 22 VAL HG1 . 16268 1 175 . 1 1 22 22 VAL HG12 H 1 1.070 0.020 . 1 . . . . 22 VAL HG1 . 16268 1 176 . 1 1 22 22 VAL HG13 H 1 1.070 0.020 . 1 . . . . 22 VAL HG1 . 16268 1 177 . 1 1 22 22 VAL HG21 H 1 1.008 0.020 . 1 . . . . 22 VAL HG2 . 16268 1 178 . 1 1 22 22 VAL HG22 H 1 1.008 0.020 . 1 . . . . 22 VAL HG2 . 16268 1 179 . 1 1 22 22 VAL HG23 H 1 1.008 0.020 . 1 . . . . 22 VAL HG2 . 16268 1 180 . 1 1 23 23 LEU H H 1 7.848 0.020 . 1 . . . . 23 LEU H . 16268 1 181 . 1 1 23 23 LEU HA H 1 4.023 0.020 . 1 . . . . 23 LEU HA . 16268 1 182 . 1 1 23 23 LEU HB2 H 1 1.709 0.020 . 1 . . . . 23 LEU HB2 . 16268 1 183 . 1 1 23 23 LEU HB3 H 1 1.709 0.020 . 1 . . . . 23 LEU HB3 . 16268 1 184 . 1 1 23 23 LEU HD11 H 1 0.908 0.020 . 1 . . . . 23 LEU HD1 . 16268 1 185 . 1 1 23 23 LEU HD12 H 1 0.908 0.020 . 1 . . . . 23 LEU HD1 . 16268 1 186 . 1 1 23 23 LEU HD13 H 1 0.908 0.020 . 1 . . . . 23 LEU HD1 . 16268 1 187 . 1 1 23 23 LEU HD21 H 1 0.851 0.020 . 1 . . . . 23 LEU HD2 . 16268 1 188 . 1 1 23 23 LEU HD22 H 1 0.851 0.020 . 1 . . . . 23 LEU HD2 . 16268 1 189 . 1 1 23 23 LEU HD23 H 1 0.851 0.020 . 1 . . . . 23 LEU HD2 . 16268 1 190 . 1 1 23 23 LEU HG H 1 1.492 0.020 . 1 . . . . 23 LEU HG . 16268 1 191 . 1 1 24 24 ALA H H 1 8.296 0.020 . 1 . . . . 24 ALA H . 16268 1 192 . 1 1 24 24 ALA HA H 1 3.964 0.020 . 1 . . . . 24 ALA HA . 16268 1 193 . 1 1 24 24 ALA HB1 H 1 1.270 0.020 . 1 . . . . 24 ALA HB . 16268 1 194 . 1 1 24 24 ALA HB2 H 1 1.270 0.020 . 1 . . . . 24 ALA HB . 16268 1 195 . 1 1 24 24 ALA HB3 H 1 1.270 0.020 . 1 . . . . 24 ALA HB . 16268 1 196 . 1 1 25 25 LEU H H 1 7.768 0.020 . 1 . . . . 25 LEU H . 16268 1 197 . 1 1 25 25 LEU HA H 1 4.160 0.020 . 1 . . . . 25 LEU HA . 16268 1 198 . 1 1 25 25 LEU HB2 H 1 1.920 0.020 . 2 . . . . 25 LEU HB2 . 16268 1 199 . 1 1 25 25 LEU HB3 H 1 1.777 0.020 . 2 . . . . 25 LEU HB3 . 16268 1 200 . 1 1 25 25 LEU HD11 H 1 0.917 0.020 . 1 . . . . 25 LEU HD1 . 16268 1 201 . 1 1 25 25 LEU HD12 H 1 0.917 0.020 . 1 . . . . 25 LEU HD1 . 16268 1 202 . 1 1 25 25 LEU HD13 H 1 0.917 0.020 . 1 . . . . 25 LEU HD1 . 16268 1 203 . 1 1 25 25 LEU HD21 H 1 0.917 0.020 . 1 . . . . 25 LEU HD2 . 16268 1 204 . 1 1 25 25 LEU HD22 H 1 0.917 0.020 . 1 . . . . 25 LEU HD2 . 16268 1 205 . 1 1 25 25 LEU HD23 H 1 0.917 0.020 . 1 . . . . 25 LEU HD2 . 16268 1 206 . 1 1 26 26 MET H H 1 8.440 0.020 . 1 . . . . 26 MET H . 16268 1 207 . 1 1 26 26 MET HA H 1 4.152 0.020 . 1 . . . . 26 MET HA . 16268 1 208 . 1 1 26 26 MET HB2 H 1 2.120 0.020 . 2 . . . . 26 MET HB2 . 16268 1 209 . 1 1 26 26 MET HB3 H 1 2.259 0.020 . 2 . . . . 26 MET HB3 . 16268 1 210 . 1 1 26 26 MET HG2 H 1 2.569 0.020 . 2 . . . . 26 MET HG2 . 16268 1 211 . 1 1 26 26 MET HG3 H 1 2.782 0.020 . 2 . . . . 26 MET HG3 . 16268 1 212 . 1 1 27 27 ALA H H 1 8.297 0.020 . 1 . . . . 27 ALA H . 16268 1 213 . 1 1 27 27 ALA HA H 1 4.183 0.020 . 1 . . . . 27 ALA HA . 16268 1 214 . 1 1 27 27 ALA HB1 H 1 1.408 0.020 . 1 . . . . 27 ALA HB . 16268 1 215 . 1 1 27 27 ALA HB2 H 1 1.408 0.020 . 1 . . . . 27 ALA HB . 16268 1 216 . 1 1 27 27 ALA HB3 H 1 1.408 0.020 . 1 . . . . 27 ALA HB . 16268 1 217 . 1 1 28 28 HIS H H 1 7.753 0.020 . 1 . . . . 28 HIS H . 16268 1 218 . 1 1 28 28 HIS HA H 1 4.716 0.020 . 1 . . . . 28 HIS HA . 16268 1 219 . 1 1 28 28 HIS HB2 H 1 3.174 0.020 . 2 . . . . 28 HIS HB2 . 16268 1 220 . 1 1 28 28 HIS HB3 H 1 3.578 0.020 . 2 . . . . 28 HIS HB3 . 16268 1 221 . 1 1 28 28 HIS HD2 H 1 7.431 0.020 . 1 . . . . 28 HIS HD2 . 16268 1 222 . 1 1 28 28 HIS HE1 H 1 8.494 0.020 . 1 . . . . 28 HIS HE1 . 16268 1 223 . 1 1 29 29 SER H H 1 7.834 0.020 . 1 . . . . 29 SER H . 16268 1 224 . 1 1 29 29 SER HA H 1 4.599 0.020 . 1 . . . . 29 SER HA . 16268 1 225 . 1 1 29 29 SER HB2 H 1 4.045 0.020 . 1 . . . . 29 SER HB2 . 16268 1 226 . 1 1 29 29 SER HB3 H 1 4.045 0.020 . 1 . . . . 29 SER HB3 . 16268 1 227 . 1 1 30 30 LEU H H 1 8.548 0.020 . 1 . . . . 30 LEU H . 16268 1 228 . 1 1 30 30 LEU HA H 1 3.890 0.020 . 1 . . . . 30 LEU HA . 16268 1 229 . 1 1 30 30 LEU HB2 H 1 1.994 0.020 . 2 . . . . 30 LEU HB2 . 16268 1 230 . 1 1 30 30 LEU HB3 H 1 1.815 0.020 . 1 . . . . 30 LEU HB3 . 16268 1 231 . 1 1 30 30 LEU HD11 H 1 0.891 0.020 . 1 . . . . 30 LEU HD1 . 16268 1 232 . 1 1 30 30 LEU HD12 H 1 0.891 0.020 . 1 . . . . 30 LEU HD1 . 16268 1 233 . 1 1 30 30 LEU HD13 H 1 0.891 0.020 . 1 . . . . 30 LEU HD1 . 16268 1 234 . 1 1 30 30 LEU HD21 H 1 0.980 0.020 . 1 . . . . 30 LEU HD2 . 16268 1 235 . 1 1 30 30 LEU HD22 H 1 0.980 0.020 . 1 . . . . 30 LEU HD2 . 16268 1 236 . 1 1 30 30 LEU HD23 H 1 0.980 0.020 . 1 . . . . 30 LEU HD2 . 16268 1 237 . 1 1 30 30 LEU HG H 1 1.490 0.020 . 1 . . . . 30 LEU HG . 16268 1 238 . 1 1 31 31 ALA H H 1 8.494 0.020 . 1 . . . . 31 ALA H . 16268 1 239 . 1 1 31 31 ALA HA H 1 3.967 0.020 . 1 . . . . 31 ALA HA . 16268 1 240 . 1 1 31 31 ALA HB1 H 1 1.406 0.020 . 1 . . . . 31 ALA HB . 16268 1 241 . 1 1 31 31 ALA HB2 H 1 1.406 0.020 . 1 . . . . 31 ALA HB . 16268 1 242 . 1 1 31 31 ALA HB3 H 1 1.406 0.020 . 1 . . . . 31 ALA HB . 16268 1 243 . 1 1 32 32 THR HG21 H 1 1.272 0.020 . 1 . . . . 32 THR HG2 . 16268 1 244 . 1 1 32 32 THR HG22 H 1 1.272 0.020 . 1 . . . . 32 THR HG2 . 16268 1 245 . 1 1 32 32 THR HG23 H 1 1.272 0.020 . 1 . . . . 32 THR HG2 . 16268 1 stop_ save_