################################### # 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 16333 _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' . . . 16333 1 2 '2D 1H-1H NOESY' . . . 16333 1 3 '2D DQF-COSY' . . . 16333 1 4 '2D roesy' . . . 16333 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 LYS HA H 1 4.37 0.02 . 1 . . . . 2 LYS HA . 16333 1 2 . 1 1 2 2 LYS HB2 H 1 1.90 0.03 . 2 . . . . 2 LYS HB2 . 16333 1 3 . 1 1 3 3 ALA H H 1 8.608 0.02 . 1 . . . . 3 ALA H . 16333 1 4 . 1 1 3 3 ALA HA H 1 4.408 0.02 . 1 . . . . 3 ALA HA . 16333 1 5 . 1 1 3 3 ALA HB1 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 6 . 1 1 3 3 ALA HB2 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 7 . 1 1 3 3 ALA HB3 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 8 . 1 1 4 4 LEU H H 1 8.475 0.05 . 9 . . . . 4 LEU H . 16333 1 9 . 1 1 4 4 LEU HA H 1 4.205 0.02 . 1 . . . . 4 LEU HA . 16333 1 10 . 1 1 4 4 LEU HB2 H 1 1.995 0.03 . 2 . . . . 4 LEU HB2 . 16333 1 11 . 1 1 4 4 LEU HD11 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 12 . 1 1 4 4 LEU HD12 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 13 . 1 1 4 4 LEU HD13 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 14 . 1 1 4 4 LEU HD21 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 15 . 1 1 4 4 LEU HD22 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 16 . 1 1 4 4 LEU HD23 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 17 . 1 1 4 4 LEU HG H 1 1.897 0.02 . 1 . . . . 4 LEU HG . 16333 1 18 . 1 1 5 5 LEU H H 1 8.443 0.02 . 1 . . . . 5 LEU H . 16333 1 19 . 1 1 5 5 LEU HA H 1 4.108 0.02 . 1 . . . . 5 LEU HA . 16333 1 20 . 1 1 5 5 LEU HB2 H 1 1.977 0.02 . 1 . . . . 5 LEU HB2 . 16333 1 21 . 1 1 5 5 LEU HB3 H 1 1.896 0.02 . 1 . . . . 5 LEU HB3 . 16333 1 22 . 1 1 5 5 LEU HD11 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 23 . 1 1 5 5 LEU HD12 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 24 . 1 1 5 5 LEU HD13 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 25 . 1 1 5 5 LEU HD21 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 26 . 1 1 5 5 LEU HD22 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 27 . 1 1 5 5 LEU HD23 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 28 . 1 1 5 5 LEU HG H 1 1.792 0.02 . 1 . . . . 5 LEU HG . 16333 1 29 . 1 1 6 6 ALA H H 1 7.828 0.02 . 1 . . . . 6 ALA H . 16333 1 30 . 1 1 6 6 ALA HA H 1 4.084 0.02 . 1 . . . . 6 ALA HA . 16333 1 31 . 1 1 6 6 ALA HB1 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 32 . 1 1 6 6 ALA HB2 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 33 . 1 1 6 6 ALA HB3 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 34 . 1 1 7 7 LEU H H 1 7.950 0.05 . 9 . . . . 7 LEU H . 16333 1 35 . 1 1 7 7 LEU HA H 1 4.204 0.05 . 9 . . . . 7 LEU HA . 16333 1 36 . 1 1 7 7 LEU HB2 H 1 1.961 0.02 . 1 . . . . 7 LEU HB2 . 16333 1 37 . 1 1 7 7 LEU HB3 H 1 1.938 0.02 . 1 . . . . 7 LEU HB3 . 16333 1 38 . 1 1 7 7 LEU HD11 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 39 . 1 1 7 7 LEU HD12 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 40 . 1 1 7 7 LEU HD13 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 41 . 1 1 7 7 LEU HD21 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 42 . 1 1 7 7 LEU HD22 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 43 . 1 1 7 7 LEU HD23 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 44 . 1 1 7 7 LEU HG H 1 1.813 0.02 . 1 . . . . 7 LEU HG . 16333 1 45 . 1 1 8 8 ALA H H 1 8.576 0.02 . 1 . . . . 8 ALA H . 16333 1 46 . 1 1 8 8 ALA HA H 1 4.151 0.02 . 1 . . . . 8 ALA HA . 16333 1 47 . 1 1 8 8 ALA HB1 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 48 . 1 1 8 8 ALA HB2 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 49 . 1 1 8 8 ALA HB3 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 50 . 1 1 9 9 LEU H H 1 8.484 0.05 . 9 . . . . 9 LEU H . 16333 1 51 . 1 1 9 9 LEU HA H 1 4.104 0.02 . 1 . . . . 9 LEU HA . 16333 1 52 . 1 1 9 9 LEU HB2 H 1 1.901 0.03 . 2 . . . . 9 LEU HB2 . 16333 1 53 . 1 1 9 9 LEU HD11 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 54 . 1 1 9 9 LEU HD12 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 55 . 1 1 9 9 LEU HD13 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 56 . 1 1 9 9 LEU HD21 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 57 . 1 1 9 9 LEU HD22 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 58 . 1 1 9 9 LEU HD23 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 59 . 1 1 9 9 LEU HG H 1 1.658 0.02 . 1 . . . . 9 LEU HG . 16333 1 60 . 1 1 10 10 HIS H H 1 8.294 0.02 . 1 . . . . 10 HIS H . 16333 1 61 . 1 1 10 10 HIS HA H 1 4.321 0.02 . 1 . . . . 10 HIS HA . 16333 1 62 . 1 1 10 10 HIS HB2 H 1 3.397 0.02 . 1 . . . . 10 HIS HB2 . 16333 1 63 . 1 1 10 10 HIS HB3 H 1 3.309 0.02 . 1 . . . . 10 HIS HB3 . 16333 1 64 . 1 1 10 10 HIS HD2 H 1 6.706 0.02 . 1 . . . . 10 HIS HD2 . 16333 1 65 . 1 1 10 10 HIS HE1 H 1 8.298 0.04 . 5 . . . . 10 HIS HE1 . 16333 1 66 . 1 1 11 11 HIS H H 1 7.842 0.05 . 9 . . . . 11 HIS H . 16333 1 67 . 1 1 11 11 HIS HA H 1 4.338 0.02 . 1 . . . . 11 HIS HA . 16333 1 68 . 1 1 11 11 HIS HB2 H 1 3.365 0.02 . 1 . . . . 11 HIS HB2 . 16333 1 69 . 1 1 11 11 HIS HB3 H 1 3.305 0.02 . 1 . . . . 11 HIS HB3 . 16333 1 70 . 1 1 11 11 HIS HD2 H 1 7.075 0.02 . 1 . . . . 11 HIS HD2 . 16333 1 71 . 1 1 11 11 HIS HE1 H 1 8.140 0.05 . 9 . . . . 11 HIS HE1 . 16333 1 72 . 1 1 12 12 LEU H H 1 8.507 0.02 . 1 . . . . 12 LEU H . 16333 1 73 . 1 1 12 12 LEU HA H 1 4.157 0.02 . 1 . . . . 12 LEU HA . 16333 1 74 . 1 1 12 12 LEU HB2 H 1 1.888 0.04 . 2 . . . . 12 LEU HB2 . 16333 1 75 . 1 1 12 12 LEU HD11 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 76 . 1 1 12 12 LEU HD12 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 77 . 1 1 12 12 LEU HD13 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 78 . 1 1 12 12 LEU HG H 1 1.800 0.02 . 1 . . . . 12 LEU HG . 16333 1 79 . 1 1 13 13 ALA H H 1 7.995 0.05 . 9 . . . . 13 ALA H . 16333 1 80 . 1 1 13 13 ALA HA H 1 4.137 0.05 . 9 . . . . 13 ALA HA . 16333 1 81 . 1 1 13 13 ALA HB1 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 82 . 1 1 13 13 ALA HB2 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 83 . 1 1 13 13 ALA HB3 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 84 . 1 1 14 14 HIS H H 1 8.007 0.02 . 1 . . . . 14 HIS H . 16333 1 85 . 1 1 14 14 HIS HA H 1 4.331 0.02 . 1 . . . . 14 HIS HA . 16333 1 86 . 1 1 14 14 HIS HB2 H 1 3.340 0.02 . 1 . . . . 14 HIS HB2 . 16333 1 87 . 1 1 14 14 HIS HB3 H 1 3.298 0.02 . 1 . . . . 14 HIS HB3 . 16333 1 88 . 1 1 14 14 HIS HD2 H 1 7.021 0.02 . 1 . . . . 14 HIS HD2 . 16333 1 89 . 1 1 14 14 HIS HE1 H 1 8.292 0.04 . 5 . . . . 14 HIS HE1 . 16333 1 90 . 1 1 15 15 LEU H H 1 8.086 0.02 . 1 . . . . 15 LEU H . 16333 1 91 . 1 1 15 15 LEU HA H 1 4.088 0.02 . 1 . . . . 15 LEU HA . 16333 1 92 . 1 1 15 15 LEU HB2 H 1 1.861 0.03 . 2 . . . . 15 LEU HB2 . 16333 1 93 . 1 1 15 15 LEU HD11 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 94 . 1 1 15 15 LEU HD12 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 95 . 1 1 15 15 LEU HD13 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 96 . 1 1 15 15 LEU HG H 1 1.753 0.02 . 1 . . . . 15 LEU HG . 16333 1 97 . 1 1 16 16 ALA H H 1 8.648 0.02 . 1 . . . . 16 ALA H . 16333 1 98 . 1 1 16 16 ALA HA H 1 4.004 0.02 . 1 . . . . 16 ALA HA . 16333 1 99 . 1 1 16 16 ALA HB1 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 100 . 1 1 16 16 ALA HB2 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 101 . 1 1 16 16 ALA HB3 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 102 . 1 1 17 17 LEU H H 1 8.287 0.05 . 9 . . . . 17 LEU H . 16333 1 103 . 1 1 17 17 LEU HA H 1 4.177 0.02 . 1 . . . . 17 LEU HA . 16333 1 104 . 1 1 17 17 LEU HB2 H 1 1.956 0.03 . 2 . . . . 17 LEU HB2 . 16333 1 105 . 1 1 17 17 LEU HD11 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 106 . 1 1 17 17 LEU HD12 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 107 . 1 1 17 17 LEU HD13 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 108 . 1 1 17 17 LEU HG H 1 1.832 0.02 . 1 . . . . 17 LEU HG . 16333 1 109 . 1 1 18 18 HIS H H 1 8.232 0.02 . 1 . . . . 18 HIS H . 16333 1 110 . 1 1 18 18 HIS HA H 1 4.522 0.02 . 1 . . . . 18 HIS HA . 16333 1 111 . 1 1 18 18 HIS HB2 H 1 3.283 0.02 . 1 . . . . 18 HIS HB2 . 16333 1 112 . 1 1 18 18 HIS HB3 H 1 3.200 0.02 . 1 . . . . 18 HIS HB3 . 16333 1 113 . 1 1 18 18 HIS HD2 H 1 7.076 0.02 . 1 . . . . 18 HIS HD2 . 16333 1 114 . 1 1 18 18 HIS HE1 H 1 8.272 0.04 . 5 . . . . 18 HIS HE1 . 16333 1 115 . 1 1 19 19 LEU H H 1 8.776 0.02 . 1 . . . . 19 LEU H . 16333 1 116 . 1 1 19 19 LEU HA H 1 4.177 0.02 . 1 . . . . 19 LEU HA . 16333 1 117 . 1 1 19 19 LEU HB2 H 1 1.949 0.03 . 2 . . . . 19 LEU HB2 . 16333 1 118 . 1 1 19 19 LEU HB3 H 1 1.887 0.03 . 2 . . . . 19 LEU HB3 . 16333 1 119 . 1 1 19 19 LEU HD11 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 120 . 1 1 19 19 LEU HD12 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 121 . 1 1 19 19 LEU HD13 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 122 . 1 1 19 19 LEU HG H 1 1.766 0.02 . 1 . . . . 19 LEU HG . 16333 1 123 . 1 1 20 20 ALA H H 1 8.470 0.05 . 9 . . . . 20 ALA H . 16333 1 124 . 1 1 20 20 ALA HA H 1 4.016 0.02 . 1 . . . . 20 ALA HA . 16333 1 125 . 1 1 20 20 ALA HB1 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 126 . 1 1 20 20 ALA HB2 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 127 . 1 1 20 20 ALA HB3 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 128 . 1 1 21 21 LEU H H 1 8.157 0.02 . 1 . . . . 21 LEU H . 16333 1 129 . 1 1 21 21 LEU HA H 1 4.092 0.02 . 1 . . . . 21 LEU HA . 16333 1 130 . 1 1 21 21 LEU HB2 H 1 1.912 0.03 . 2 . . . . 21 LEU HB2 . 16333 1 131 . 1 1 21 21 LEU HD11 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 132 . 1 1 21 21 LEU HD12 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 133 . 1 1 21 21 LEU HD13 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 134 . 1 1 21 21 LEU HG H 1 1.634 0.02 . 1 . . . . 21 LEU HG . 16333 1 135 . 1 1 22 22 ALA H H 1 7.955 0.05 . 9 . . . . 22 ALA H . 16333 1 136 . 1 1 22 22 ALA HA H 1 4.205 0.05 . 9 . . . . 22 ALA HA . 16333 1 137 . 1 1 22 22 ALA HB1 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 138 . 1 1 22 22 ALA HB2 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 139 . 1 1 22 22 ALA HB3 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 140 . 1 1 23 23 LEU H H 1 8.214 0.02 . 1 . . . . 23 LEU H . 16333 1 141 . 1 1 23 23 LEU HA H 1 4.164 0.02 . 1 . . . . 23 LEU HA . 16333 1 142 . 1 1 23 23 LEU HB2 H 1 1.968 0.03 . 2 . . . . 23 LEU HB2 . 16333 1 143 . 1 1 23 23 LEU HB3 H 1 1.941 0.03 . 2 . . . . 23 LEU HB3 . 16333 1 144 . 1 1 23 23 LEU HD11 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 145 . 1 1 23 23 LEU HD12 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 146 . 1 1 23 23 LEU HD13 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 147 . 1 1 23 23 LEU HG H 1 1.636 0.02 . 1 . . . . 23 LEU HG . 16333 1 148 . 1 1 24 24 LYS H H 1 7.991 0.02 . 1 . . . . 24 LYS H . 16333 1 149 . 1 1 24 24 LYS HA H 1 4.142 0.02 . 1 . . . . 24 LYS HA . 16333 1 150 . 1 1 24 24 LYS HB2 H 1 2.048 0.03 . 2 . . . . 24 LYS HB2 . 16333 1 151 . 1 1 24 24 LYS HD2 H 1 1.965 0.03 . 2 . . . . 24 LYS HD2 . 16333 1 152 . 1 1 24 24 LYS HE2 H 1 3.032 0.03 . 2 . . . . 24 LYS HE2 . 16333 1 153 . 1 1 24 24 LYS HG2 H 1 1.758 0.03 . 2 . . . . 24 LYS HG2 . 16333 1 154 . 1 1 25 25 LYS H H 1 7.869 0.05 . 9 . . . . 25 LYS H . 16333 1 155 . 1 1 25 25 LYS HA H 1 4.237 0.02 . 1 . . . . 25 LYS HA . 16333 1 156 . 1 1 25 25 LYS HB2 H 1 1.970 0.03 . 2 . . . . 25 LYS HB2 . 16333 1 157 . 1 1 25 25 LYS HD2 H 1 1.772 0.03 . 2 . . . . 25 LYS HD2 . 16333 1 158 . 1 1 25 25 LYS HE2 H 1 3.050 0.03 . 2 . . . . 25 LYS HE2 . 16333 1 159 . 1 1 25 25 LYS HG2 H 1 1.627 0.03 . 2 . . . . 25 LYS HG2 . 16333 1 160 . 1 1 26 26 ALA H H 1 7.855 0.05 . 9 . . . . 26 ALA H . 16333 1 161 . 1 1 26 26 ALA HA H 1 4.255 0.04 . 5 . . . . 26 ALA HA . 16333 1 162 . 1 1 26 26 ALA HB1 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 1 163 . 1 1 26 26 ALA HB2 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 1 164 . 1 1 26 26 ALA HB3 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 65 16333 1 1 89 16333 1 1 114 16333 1 2 161 16333 1 stop_ save_