################################### # 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 52630 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NPM1_solution_assignment.txt _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' . . . 52630 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 . . 52630 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 . 1 149 149 GLY H H 1 8.14 . . 1 . . . . . 147 GLY H . 52630 1 2 . 1 . 1 149 149 GLY N N 15 109.22 . . 1 . . . . . 147 GLY N . 52630 1 3 . 1 . 1 156 156 LYS H H 1 8.24 . . 1 . . . . . 154 LYS H . 52630 1 4 . 1 . 1 156 156 LYS N N 15 123.34 . . 1 . . . . . 154 LYS N . 52630 1 5 . 1 . 1 157 157 LYS H H 1 8.06 . . 1 . . . . . 155 LYS H . 52630 1 6 . 1 . 1 157 157 LYS N N 15 123.24 . . 1 . . . . . 155 LYS N . 52630 1 7 . 1 . 1 188 188 ALA H H 1 7.93 . . 1 . . . . . 186 ALA H . 52630 1 8 . 1 . 1 188 188 ALA N N 15 125.04 . . 1 . . . . . 186 ALA N . 52630 1 9 . 1 . 1 192 192 ALA H H 1 8.05 . . 1 . . . . . 190 ALA H . 52630 1 10 . 1 . 1 192 192 ALA N N 15 126.65 . . 1 . . . . . 190 ALA N . 52630 1 11 . 1 . 1 194 194 VAL H H 1 7.97 . . 1 . . . . . 192 VAL H . 52630 1 12 . 1 . 1 194 194 VAL N N 15 120.81 . . 1 . . . . . 192 VAL N . 52630 1 13 . 1 . 1 195 195 LYS H H 1 8.18 . . 1 . . . . . 193 LYS H . 52630 1 14 . 1 . 1 195 195 LYS N N 15 125.91 . . 1 . . . . . 193 LYS N . 52630 1 15 . 1 . 1 197 197 SER H H 1 8.2 . . 1 . . . . . 195 SER H . 52630 1 16 . 1 . 1 197 197 SER N N 15 117.65 . . 1 . . . . . 195 SER N . 52630 1 17 . 1 . 1 199 199 ARG H H 1 8.07 . . 1 . . . . . 197 ARG H . 52630 1 18 . 1 . 1 199 199 ARG N N 15 124.45 . . 1 . . . . . 197 ARG N . 52630 1 19 . 1 . 1 201 201 THR H H 1 7.83 . . 1 . . . . . 199 THR H . 52630 1 20 . 1 . 1 201 201 THR N N 15 116.67 . . 1 . . . . . 199 THR N . 52630 1 21 . 1 . 1 203 203 ALA H H 1 8.16 . . 1 . . . . . 201 ALA H . 52630 1 22 . 1 . 1 203 203 ALA N N 15 124.46 . . 1 . . . . . 201 ALA N . 52630 1 23 . 1 . 1 205 205 ASN H H 1 8.19 . . 1 . . . . . 203 ASN H . 52630 1 24 . 1 . 1 205 205 ASN N N 15 119.5 . . 1 . . . . . 203 ASN N . 52630 1 25 . 1 . 1 206 206 ALA H H 1 7.99 . . 1 . . . . . 204 ALA H . 52630 1 26 . 1 . 1 206 206 ALA N N 15 124.51 . . 1 . . . . . 204 ALA N . 52630 1 27 . 1 . 1 207 207 GLN H H 1 8.06 . . 1 . . . . . 205 GLN H . 52630 1 28 . 1 . 1 207 207 GLN N N 15 119.4 . . 1 . . . . . 205 GLN N . 52630 1 29 . 1 . 1 209 209 SER H H 1 8.13 . . 1 . . . . . 207 SER H . 52630 1 30 . 1 . 1 209 209 SER N N 15 116.91 . . 1 . . . . . 207 SER N . 52630 1 31 . 1 . 1 210 210 ASN H H 1 8.24 . . 1 . . . . . 208 ASN H . 52630 1 32 . 1 . 1 210 210 ASN N N 15 121.0 . . 1 . . . . . 208 ASN N . 52630 1 33 . 1 . 1 212 212 ASN H H 1 8.24 . . 1 . . . . . 210 ASN H . 52630 1 34 . 1 . 1 212 212 ASN N N 15 119.6 . . 1 . . . . . 210 ASN N . 52630 1 35 . 1 . 1 213 213 GLY H H 1 8.16 . . 1 . . . . . 211 GLY H . 52630 1 36 . 1 . 1 213 213 GLY N N 15 109.68 . . 1 . . . . . 211 GLY N . 52630 1 37 . 1 . 1 214 214 LYS H H 1 7.98 . . 1 . . . . . 212 LYS H . 52630 1 38 . 1 . 1 214 214 LYS N N 15 121.17 . . 1 . . . . . 212 LYS N . 52630 1 39 . 1 . 1 216 216 SER H H 1 7.92 . . 1 . . . . . 214 SER H . 52630 1 40 . 1 . 1 216 216 SER N N 15 116.35 . . 1 . . . . . 214 SER N . 52630 1 41 . 1 . 1 219 219 SER H H 1 8.25 . . 1 . . . . . 217 SER H . 52630 1 42 . 1 . 1 219 219 SER N N 15 116.5 . . 1 . . . . . 217 SER N . 52630 1 43 . 1 . 1 220 220 SER H H 1 8.15 . . 1 . . . . . 218 SER H . 52630 1 44 . 1 . 1 220 220 SER N N 15 118.17 . . 1 . . . . . 218 SER N . 52630 1 45 . 1 . 1 221 221 THR H H 1 8.0 . . 1 . . . . . 219 THR H . 52630 1 46 . 1 . 1 221 221 THR N N 15 118.69 . . 1 . . . . . 219 THR N . 52630 1 47 . 1 . 1 224 224 SER H H 1 8.13 . . 1 . . . . . 222 SER H . 52630 1 48 . 1 . 1 224 224 SER N N 15 117.4 . . 1 . . . . . 222 SER N . 52630 1 49 . 1 . 1 225 225 LYS H H 1 8.21 . . 1 . . . . . 223 LYS H . 52630 1 50 . 1 . 1 225 225 LYS N N 15 123.76 . . 1 . . . . . 223 LYS N . 52630 1 51 . 1 . 1 226 226 GLY H H 1 8.29 . . 1 . . . . . 224 GLY H . 52630 1 52 . 1 . 1 226 226 GLY N N 15 110.43 . . 1 . . . . . 224 GLY N . 52630 1 53 . 1 . 1 228 228 GLU H H 1 8.38 . . 1 . . . . . 226 GLU H . 52630 1 54 . 1 . 1 228 228 GLU N N 15 122.37 . . 1 . . . . . 226 GLU N . 52630 1 55 . 1 . 1 229 229 SER H H 1 8.05 . . 1 . . . . . 227 SER H . 52630 1 56 . 1 . 1 229 229 SER N N 15 116.71 . . 1 . . . . . 227 SER N . 52630 1 57 . 1 . 1 230 230 PHE H H 1 7.94 . . 1 . . . . . 228 PHE H . 52630 1 58 . 1 . 1 230 230 PHE N N 15 122.31 . . 1 . . . . . 228 PHE N . 52630 1 59 . 1 . 1 231 231 LYS H H 1 7.89 . . 1 . . . . . 229 LYS H . 52630 1 60 . 1 . 1 231 231 LYS N N 15 123.09 . . 1 . . . . . 229 LYS N . 52630 1 stop_ save_