################################### # 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 25867 _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 TROSY-HMQC' . . . 25867 1 2 '2D 1H-15N TROSY-HMQC' . . . 25867 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 G H1 H 1 12.145 . . . . . . X 2 G H1 . 25867 1 2 . 1 1 2 2 G N1 N 15 147.120 . . . . . . X 2 G N1 . 25867 1 3 . 1 1 7 7 G H1 H 1 12.410 . . . . . . X 7 G H1 . 25867 1 4 . 1 1 7 7 G N1 N 15 147.751 . . . . . . X 7 G N1 . 25867 1 5 . 1 1 9 9 U H3 H 1 13.345 . . . . . . X 9 U H3 . 25867 1 6 . 1 1 9 9 U N3 N 15 162.243 . . . . . . X 9 U N3 . 25867 1 7 . 1 1 10 10 G H1 H 1 12.302 . . . . . . X 10 G H1 . 25867 1 8 . 1 1 10 10 G N1 N 15 147.384 . . . . . . X 10 G N1 . 25867 1 9 . 1 1 11 11 U H3 H 1 13.927 . . . . . . X 11 U H3 . 25867 1 10 . 1 1 11 11 U N3 N 15 163.185 . . . . . . X 11 U N3 . 25867 1 11 . 1 1 15 15 G H1 H 1 10.604 . . . . . . X 15 G H1 . 25867 1 12 . 1 1 15 15 G N1 N 15 142.565 . . . . . . X 15 G N1 . 25867 1 13 . 1 1 16 16 G H1 H 1 12.574 . . . . . . X 16 G H1 . 25867 1 14 . 1 1 16 16 G N1 N 15 147.595 . . . . . . X 16 G N1 . 25867 1 15 . 1 1 17 17 G H1 H 1 13.083 . . . . . . X 17 G H1 . 25867 1 16 . 1 1 17 17 G N1 N 15 148.799 . . . . . . X 17 G N1 . 25867 1 17 . 1 1 20 20 G H1 H 1 12.691 . . . . . . X 20 G H1 . 25867 1 18 . 1 1 20 20 G N1 N 15 148.183 . . . . . . X 20 G N1 . 25867 1 19 . 1 1 22 22 U H3 H 1 14.413 . . . . . . X 22 U H3 . 25867 1 20 . 1 1 22 22 U N3 N 15 163.050 . . . . . . X 22 U N3 . 25867 1 21 . 1 1 26 26 G H1 H 1 13.179 . . . . . . X 26 G H1 . 25867 1 22 . 1 1 26 26 G N1 N 15 147.967 . . . . . . X 26 G N1 . 25867 1 23 . 1 1 29 29 G H1 H 1 13.539 . . . . . . X 29 G H1 . 25867 1 24 . 1 1 29 29 G N1 N 15 148.888 . . . . . . X 29 G N1 . 25867 1 25 . 1 1 30 30 U H3 H 1 12.445 . . . . . . X 30 U H3 . 25867 1 26 . 1 1 30 30 U N3 N 15 159.198 . . . . . . X 30 U N3 . 25867 1 27 . 1 1 32 32 G H1 H 1 12.823 . . . . . . X 32 G H1 . 25867 1 28 . 1 1 32 32 G N1 N 15 147.613 . . . . . . X 32 G N1 . 25867 1 29 . 1 1 33 33 U H3 H 1 11.802 . . . . . . X 33 U H3 . 25867 1 30 . 1 1 33 33 U N3 N 15 158.358 . . . . . . X 33 U N3 . 25867 1 31 . 1 1 35 35 U H3 H 1 13.110 . . . . . . X 35 U H3 . 25867 1 32 . 1 1 35 35 U N3 N 15 161.778 . . . . . . X 35 U N3 . 25867 1 33 . 1 1 36 36 G H1 H 1 12.748 . . . . . . X 36 G H1 . 25867 1 34 . 1 1 36 36 G N1 N 15 147.473 . . . . . . X 36 G N1 . 25867 1 35 . 1 1 37 37 G H1 H 1 10.974 . . . . . . X 37 G H1 . 25867 1 36 . 1 1 37 37 G N1 N 15 147.245 . . . . . . X 37 G N1 . 25867 1 37 . 1 1 38 38 U H3 H 1 11.302 . . . . . . X 38 U H3 . 25867 1 38 . 1 1 38 38 U N3 N 15 157.884 . . . . . . X 38 U N3 . 25867 1 39 . 1 1 45 45 U H3 H 1 13.687 . . . . . . X 45 U H3 . 25867 1 40 . 1 1 45 45 U N3 N 15 162.930 . . . . . . X 45 U N3 . 25867 1 41 . 1 1 46 46 G H1 H 1 10.831 . . . . . . X 46 G H1 . 25867 1 42 . 1 1 46 46 G N1 N 15 144.326 . . . . . . X 46 G N1 . 25867 1 43 . 1 1 48 48 G H1 H 1 12.410 . . . . . . X 48 G H1 . 25867 1 44 . 1 1 48 48 G N1 N 15 147.751 . . . . . . X 48 G N1 . 25867 1 45 . 1 1 49 49 G H1 H 1 11.579 . . . . . . X 49 G H1 . 25867 1 46 . 1 1 49 49 G N1 N 15 145.576 . . . . . . X 49 G N1 . 25867 1 47 . 1 1 51 51 G H1 H 1 12.691 . . . . . . X 51 G H1 . 25867 1 48 . 1 1 51 51 G N1 N 15 148.183 . . . . . . X 51 G N1 . 25867 1 49 . 1 1 52 52 U H3 H 1 14.332 . . . . . . X 52 U H3 . 25867 1 50 . 1 1 52 52 U N3 N 15 162.967 . . . . . . X 52 U N3 . 25867 1 51 . 1 1 53 53 U H3 H 1 13.839 . . . . . . X 53 U H3 . 25867 1 52 . 1 1 53 53 U N3 N 15 163.298 . . . . . . X 53 U N3 . 25867 1 53 . 1 1 65 65 U H3 H 1 13.687 . . . . . . X 65 U H3 . 25867 1 54 . 1 1 65 65 U N3 N 15 162.930 . . . . . . X 65 U N3 . 25867 1 55 . 1 1 66 66 G H1 H 1 12.399 . . . . . . X 66 G H1 . 25867 1 56 . 1 1 66 66 G N1 N 15 147.718 . . . . . . X 66 G N1 . 25867 1 57 . 1 1 69 69 U H3 H 1 11.875 . . . . . . X 69 U H3 . 25867 1 58 . 1 1 69 69 U N3 N 15 158.388 . . . . . . X 69 U N3 . 25867 1 stop_ save_