################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 'imino groups of matured yeast tRNAPhe' _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 NOESY' . . . 50097 1 2 '2D 1H-15N BEST-TROSY' . . . 50097 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 1H' 1 -0.07 0.01 50097 1 'TROSY offset' 'all 15N' 15 0.6 0.1 50097 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 G H1 H 1 12.468 0.020 . 1 . . . . . 1 G H1 . 50097 1 2 . 1 . 1 1 1 G N1 N 15 148.471 0.200 . 1 . . . . . 1 G N1 . 50097 1 3 . 1 . 1 3 3 G H1 H 1 12.273 0.020 . 1 . . . . . 3 G H1 . 50097 1 4 . 1 . 1 3 3 G N1 N 15 147.815 0.200 . 1 . . . . . 3 G N1 . 50097 1 5 . 1 . 1 4 4 G H1 H 1 10.319 0.020 . 1 . . . . . 4 G H1 . 50097 1 6 . 1 . 1 4 4 G N1 N 15 143.589 0.200 . 1 . . . . . 4 G N1 . 50097 1 7 . 1 . 1 6 6 U H3 H 1 14.335 0.020 . 1 . . . . . 6 U H3 . 50097 1 8 . 1 . 1 6 6 U N3 N 15 163.167 0.200 . 1 . . . . . 6 U N3 . 50097 1 9 . 1 . 1 7 7 U H3 H 1 13.239 0.020 . 1 . . . . . 7 U H3 . 50097 1 10 . 1 . 1 7 7 U N3 N 15 161.174 0.200 . 1 . . . . . 7 U N3 . 50097 1 11 . 1 . 1 8 8 U H3 H 1 14.354 0.020 . 1 . . . . . 8 U H3 . 50097 1 12 . 1 . 1 8 8 U N3 N 15 164.510 0.200 . 1 . . . . . 8 U N3 . 50097 1 13 . 1 . 1 10 10 M2G H1 H 1 12.686 0.020 . 1 . . . . . 10 M2G H1 . 50097 1 14 . 1 . 1 10 10 M2G N1 N 15 148.402 0.200 . 1 . . . . . 10 M2G N1 . 50097 1 15 . 1 . 1 12 12 U H3 H 1 13.712 0.020 . 1 . . . . . 12 U H3 . 50097 1 16 . 1 . 1 12 12 U N3 N 15 160.869 0.200 . 1 . . . . . 12 U N3 . 50097 1 17 . 1 . 1 15 15 G H1 H 1 12.080 0.020 . 1 . . . . . 15 G H1 . 50097 1 18 . 1 . 1 15 15 G N1 N 15 147.866 0.200 . 1 . . . . . 15 G N1 . 50097 1 19 . 1 . 1 18 18 G H1 H 1 9.797 0.020 . 1 . . . . . 18 G H1 . 50097 1 20 . 1 . 1 18 18 G N1 N 15 147.178 0.200 . 1 . . . . . 18 G N1 . 50097 1 21 . 1 . 1 22 22 G H1 H 1 12.899 0.020 . 1 . . . . . 22 G H1 . 50097 1 22 . 1 . 1 22 22 G N1 N 15 148.461 0.200 . 1 . . . . . 22 G N1 . 50097 1 23 . 1 . 1 24 24 G H1 H 1 13.609 0.020 . 1 . . . . . 24 G H1 . 50097 1 24 . 1 . 1 24 24 G N1 N 15 148.872 0.200 . 1 . . . . . 24 G N1 . 50097 1 25 . 1 . 1 30 30 G H1 H 1 12.485 0.020 . 1 . . . . . 30 G H1 . 50097 1 26 . 1 . 1 30 30 G N1 N 15 147.674 0.200 . 1 . . . . . 30 G N1 . 50097 1 27 . 1 . 1 41 41 U H3 H 1 13.182 0.020 . 1 . . . . . 41 U H3 . 50097 1 28 . 1 . 1 41 41 U N3 N 15 162.388 0.200 . 1 . . . . . 41 U N3 . 50097 1 29 . 1 . 1 42 42 G H1 H 1 12.093 0.020 . 1 . . . . . 42 G H1 . 50097 1 30 . 1 . 1 42 42 G N1 N 15 147.047 0.200 . 1 . . . . . 42 G N1 . 50097 1 31 . 1 . 1 43 43 G H1 H 1 12.530 0.020 . 1 . . . . . 43 G H1 . 50097 1 32 . 1 . 1 43 43 G N1 N 15 148.182 0.200 . 1 . . . . . 43 G N1 . 50097 1 33 . 1 . 1 46 46 M7G H1 H 1 13.360 0.020 . 1 . . . . . 46 M7G H1 . 50097 1 34 . 1 . 1 46 46 M7G N1 N 15 151.913 0.200 . 1 . . . . . 46 M7G N1 . 50097 1 35 . 1 . 1 50 50 U H3 H 1 13.201 0.020 . 1 . . . . . 50 U H3 . 50097 1 36 . 1 . 1 50 50 U N3 N 15 162.569 0.200 . 1 . . . . . 50 U N3 . 50097 1 37 . 1 . 1 51 51 G H1 H 1 12.356 0.020 . 1 . . . . . 51 G H1 . 50097 1 38 . 1 . 1 51 51 G N1 N 15 147.807 0.200 . 1 . . . . . 51 G N1 . 50097 1 39 . 1 . 1 52 52 U H3 H 1 13.710 0.020 . 1 . . . . . 52 U H3 . 50097 1 40 . 1 . 1 52 52 U N3 N 15 163.315 0.200 . 1 . . . . . 52 U N3 . 50097 1 41 . 1 . 1 53 53 G H1 H 1 12.503 0.020 . 1 . . . . . 53 G H1 . 50097 1 42 . 1 . 1 53 53 G N1 N 15 147.803 0.200 . 1 . . . . . 53 G N1 . 50097 1 43 . 1 . 1 54 54 M5U H3 H 1 12.431 0.020 . 1 . . . . . 54 M5U H3 . 50097 1 44 . 1 . 1 54 54 M5U N3 N 15 158.311 0.200 . 1 . . . . . 54 M5U N3 . 50097 1 45 . 1 . 1 55 55 PSU H1 H 1 10.315 0.020 . 1 . . . . . 55 PSU H1 . 50097 1 46 . 1 . 1 55 55 PSU H3 H 1 11.589 0.020 . 1 . . . . . 55 PSU H3 . 50097 1 47 . 1 . 1 55 55 PSU N1 N 15 135.952 0.200 . 1 . . . . . 55 PSU N1 . 50097 1 48 . 1 . 1 55 55 PSU N3 N 15 160.807 0.200 . 1 . . . . . 55 PSU N3 . 50097 1 49 . 1 . 1 65 65 G H1 H 1 12.453 0.020 . 1 . . . . . 65 G H1 . 50097 1 50 . 1 . 1 65 65 G N1 N 15 147.719 0.200 . 1 . . . . . 65 G N1 . 50097 1 51 . 1 . 1 68 68 U H3 H 1 13.837 0.020 . 1 . . . . . 68 U H3 . 50097 1 52 . 1 . 1 68 68 U N3 N 15 161.777 0.200 . 1 . . . . . 68 U N3 . 50097 1 53 . 1 . 1 69 69 U H3 H 1 11.727 0.020 . 1 . . . . . 69 U H3 . 50097 1 54 . 1 . 1 69 69 U N3 N 15 159.194 0.200 . 1 . . . . . 69 U N3 . 50097 1 55 . 1 . 1 71 71 G H1 H 1 12.884 0.020 . 1 . . . . . 71 G H1 . 50097 1 56 . 1 . 1 71 71 G N1 N 15 148.374 0.200 . 1 . . . . . 71 G N1 . 50097 1 stop_ save_