################################### # 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 52192 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.INCENP free' _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 . _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 HSQC' . . . 52192 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52192 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 4 4 CYS H H 1 8.053 0.030 . 1 . . . . . 4 CYS H . 52192 1 2 . 1 . 1 4 4 CYS N N 15 115.256 0.300 . 1 . . . . . 4 CYS N . 52192 1 3 . 1 . 1 5 5 GLN H H 1 8.441 0.030 . 1 . . . . . 5 GLN H . 52192 1 4 . 1 . 1 5 5 GLN N N 15 122.717 0.300 . 1 . . . . . 5 GLN N . 52192 1 5 . 1 . 1 6 6 LEU H H 1 8.278 0.030 . 1 . . . . . 6 LEU H . 52192 1 6 . 1 . 1 6 6 LEU N N 15 123.943 0.300 . 1 . . . . . 6 LEU N . 52192 1 7 . 1 . 1 7 7 VAL H H 1 8.093 0.030 . 1 . . . . . 7 VAL H . 52192 1 8 . 1 . 1 7 7 VAL N N 15 122.798 0.300 . 1 . . . . . 7 VAL N . 52192 1 9 . 1 . 1 9 9 VAL H H 1 8.223 0.030 . 1 . . . . . 9 VAL H . 52192 1 10 . 1 . 1 9 9 VAL N N 15 121.291 0.300 . 1 . . . . . 9 VAL N . 52192 1 11 . 1 . 1 10 10 VAL H H 1 8.190 0.030 . 1 . . . . . 10 VAL H . 52192 1 12 . 1 . 1 10 10 VAL N N 15 124.566 0.300 . 1 . . . . . 10 VAL N . 52192 1 13 . 1 . 1 11 11 GLU H H 1 8.470 0.030 . 1 . . . . . 11 GLU H . 52192 1 14 . 1 . 1 11 11 GLU N N 15 125.635 0.300 . 1 . . . . . 11 GLU N . 52192 1 15 . 1 . 1 12 12 ILE H H 1 8.252 0.030 . 1 . . . . . 12 ILE H . 52192 1 16 . 1 . 1 12 12 ILE N N 15 122.847 0.300 . 1 . . . . . 12 ILE N . 52192 1 17 . 1 . 1 13 13 GLY H H 1 8.542 0.030 . 1 . . . . . 13 GLY H . 52192 1 18 . 1 . 1 13 13 GLY N N 15 112.933 0.300 . 1 . . . . . 13 GLY N . 52192 1 19 . 1 . 1 14 14 ILE H H 1 8.008 0.030 . 1 . . . . . 14 ILE H . 52192 1 20 . 1 . 1 14 14 ILE N N 15 120.091 0.300 . 1 . . . . . 14 ILE N . 52192 1 21 . 1 . 1 15 15 SER H H 1 8.403 0.030 . 1 . . . . . 15 SER H . 52192 1 22 . 1 . 1 15 15 SER N N 15 119.108 0.300 . 1 . . . . . 15 SER N . 52192 1 23 . 1 . 1 16 16 GLU H H 1 8.409 0.030 . 1 . . . . . 16 GLU H . 52192 1 24 . 1 . 1 16 16 GLU N N 15 122.687 0.300 . 1 . . . . . 16 GLU N . 52192 1 25 . 1 . 1 18 18 GLN H H 1 8.374 0.030 . 1 . . . . . 18 GLN H . 52192 1 26 . 1 . 1 18 18 GLN N N 15 120.978 0.300 . 1 . . . . . 18 GLN N . 52192 1 27 . 1 . 1 19 19 ASN H H 1 8.432 0.030 . 1 . . . . . 19 ASN H . 52192 1 28 . 1 . 1 19 19 ASN N N 15 119.597 0.300 . 1 . . . . . 19 ASN N . 52192 1 29 . 1 . 1 20 20 ALA H H 1 8.248 0.030 . 1 . . . . . 20 ALA H . 52192 1 30 . 1 . 1 20 20 ALA N N 15 124.111 0.300 . 1 . . . . . 20 ALA N . 52192 1 31 . 1 . 1 21 21 GLU H H 1 8.328 0.030 . 1 . . . . . 21 GLU H . 52192 1 32 . 1 . 1 21 21 GLU N N 15 119.365 0.300 . 1 . . . . . 21 GLU N . 52192 1 33 . 1 . 1 22 22 GLN H H 1 8.220 0.030 . 1 . . . . . 22 GLN H . 52192 1 34 . 1 . 1 22 22 GLN N N 15 120.387 0.300 . 1 . . . . . 22 GLN N . 52192 1 35 . 1 . 1 23 23 HIS H H 1 8.375 0.030 . 1 . . . . . 23 HIS H . 52192 1 36 . 1 . 1 23 23 HIS N N 15 120.462 0.300 . 1 . . . . . 23 HIS N . 52192 1 37 . 1 . 1 24 24 VAL H H 1 8.076 0.030 . 1 . . . . . 24 VAL H . 52192 1 38 . 1 . 1 24 24 VAL N N 15 121.704 0.300 . 1 . . . . . 24 VAL N . 52192 1 39 . 1 . 1 25 25 THR H H 1 8.244 0.030 . 1 . . . . . 25 THR H . 52192 1 40 . 1 . 1 25 25 THR N N 15 118.334 0.300 . 1 . . . . . 25 THR N . 52192 1 41 . 1 . 1 26 26 GLN H H 1 8.375 0.030 . 1 . . . . . 26 GLN H . 52192 1 42 . 1 . 1 26 26 GLN N N 15 123.079 0.300 . 1 . . . . . 26 GLN N . 52192 1 43 . 1 . 1 27 27 LEU H H 1 8.264 0.030 . 1 . . . . . 27 LEU H . 52192 1 44 . 1 . 1 27 27 LEU N N 15 123.610 0.300 . 1 . . . . . 27 LEU N . 52192 1 45 . 1 . 1 28 28 MET H H 1 8.360 0.030 . 1 . . . . . 28 MET H . 52192 1 46 . 1 . 1 28 28 MET N N 15 121.102 0.300 . 1 . . . . . 28 MET N . 52192 1 47 . 1 . 1 29 29 SER H H 1 8.310 0.030 . 1 . . . . . 29 SER H . 52192 1 48 . 1 . 1 29 29 SER N N 15 116.874 0.300 . 1 . . . . . 29 SER N . 52192 1 49 . 1 . 1 30 30 THR H H 1 8.207 0.030 . 1 . . . . . 30 THR H . 52192 1 50 . 1 . 1 30 30 THR N N 15 115.541 0.300 . 1 . . . . . 30 THR N . 52192 1 51 . 1 . 1 31 31 GLU H H 1 8.261 0.030 . 1 . . . . . 31 GLU H . 52192 1 52 . 1 . 1 31 31 GLU N N 15 124.404 0.300 . 1 . . . . . 31 GLU N . 52192 1 53 . 1 . 1 33 33 LEU H H 1 8.278 0.030 . 1 . . . . . 33 LEU H . 52192 1 54 . 1 . 1 33 33 LEU N N 15 123.546 0.300 . 1 . . . . . 33 LEU N . 52192 1 55 . 1 . 1 35 35 ARG H H 1 8.441 0.030 . 1 . . . . . 35 ARG H . 52192 1 56 . 1 . 1 35 35 ARG N N 15 121.338 0.300 . 1 . . . . . 35 ARG N . 52192 1 57 . 1 . 1 36 36 THR H H 1 8.153 0.030 . 1 . . . . . 36 THR H . 52192 1 58 . 1 . 1 36 36 THR N N 15 115.583 0.300 . 1 . . . . . 36 THR N . 52192 1 59 . 1 . 1 37 37 LEU H H 1 8.308 0.030 . 1 . . . . . 37 LEU H . 52192 1 60 . 1 . 1 37 37 LEU N N 15 125.007 0.300 . 1 . . . . . 37 LEU N . 52192 1 61 . 1 . 1 38 38 SER H H 1 8.298 0.030 . 1 . . . . . 38 SER H . 52192 1 62 . 1 . 1 38 38 SER N N 15 118.278 0.300 . 1 . . . . . 38 SER N . 52192 1 63 . 1 . 1 42 42 ALA H H 1 8.441 0.030 . 1 . . . . . 42 ALA H . 52192 1 64 . 1 . 1 42 42 ALA N N 15 124.485 0.300 . 1 . . . . . 42 ALA N . 52192 1 65 . 1 . 1 43 43 SER H H 1 8.218 0.030 . 1 . . . . . 43 SER H . 52192 1 66 . 1 . 1 43 43 SER N N 15 114.529 0.300 . 1 . . . . . 43 SER N . 52192 1 67 . 1 . 1 44 44 ALA H H 1 8.329 0.030 . 1 . . . . . 44 ALA H . 52192 1 68 . 1 . 1 44 44 ALA N N 15 126.025 0.300 . 1 . . . . . 44 ALA N . 52192 1 69 . 1 . 1 45 45 THR H H 1 8.047 0.030 . 1 . . . . . 45 THR H . 52192 1 70 . 1 . 1 45 45 THR N N 15 112.891 0.300 . 1 . . . . . 45 THR N . 52192 1 71 . 1 . 1 46 46 ALA H H 1 8.223 0.030 . 1 . . . . . 46 ALA H . 52192 1 72 . 1 . 1 46 46 ALA N N 15 127.983 0.300 . 1 . . . . . 46 ALA N . 52192 1 stop_ save_