################################### # 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 53516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Golph3 partial backbone assignment' _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' . . . 53516 1 2 '3D HNCA' . . . 53516 1 4 '3D HNCO' . . . 53516 1 5 '3D HN(CA)CO' . . . 53516 1 6 '3D CBCACONH' . . . 53516 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 2 $software_2 . . 53516 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 27 27 GLY H H 1 7.7302 . . . . . . . . 76 GLY H . 53516 1 2 . 1 . 1 27 27 GLY CA C 13 43.1271 . . . . . . . . 76 GLY CA . 53516 1 3 . 1 . 1 27 27 GLY N N 15 104.4004 . . . . . . . . 76 GLY N . 53516 1 4 . 1 . 1 28 28 TYR H H 1 7.3368 . . . . . . . . 77 TYR H . 53516 1 5 . 1 . 1 28 28 TYR CA C 13 52.6107 . . . . . . . . 77 TYR CA . 53516 1 6 . 1 . 1 28 28 TYR CB C 13 39.3925 . . . . . . . . 77 TYR CB . 53516 1 7 . 1 . 1 28 28 TYR N N 15 120.7746 . . . . . . . . 77 TYR N . 53516 1 8 . 1 . 1 146 146 GLY H H 1 8.2864 . . . . . . . . 195 GLY H . 53516 1 9 . 1 . 1 146 146 GLY CA C 13 42.6103 . . . . . . . . 195 GLY CA . 53516 1 10 . 1 . 1 146 146 GLY N N 15 108.7969 . . . . . . . . 195 GLY N . 53516 1 11 . 1 . 1 147 147 GLY H H 1 8.3448 . . . . . . . . 196 GLY H . 53516 1 12 . 1 . 1 147 147 GLY CA C 13 42.6175 . . . . . . . . 196 GLY CA . 53516 1 13 . 1 . 1 147 147 GLY N N 15 108.9055 . . . . . . . . 196 GLY N . 53516 1 14 . 1 . 1 148 148 GLY H H 1 8.3115 . . . . . . . . 197 GLY H . 53516 1 15 . 1 . 1 148 148 GLY C C 13 171.2667 . . . . . . . . 197 GLY C . 53516 1 16 . 1 . 1 148 148 GLY CA C 13 42.6223 . . . . . . . . 197 GLY CA . 53516 1 17 . 1 . 1 148 148 GLY N N 15 108.75 . . . . . . . . 197 GLY N . 53516 1 18 . 1 . 1 149 149 ASP H H 1 8.2825 . . . . . . . . 198 ASP H . 53516 1 19 . 1 . 1 149 149 ASP C C 13 173.8144 . . . . . . . . 198 ASP C . 53516 1 20 . 1 . 1 149 149 ASP CA C 13 51.655 . . . . . . . . 198 ASP CA . 53516 1 21 . 1 . 1 149 149 ASP CB C 13 38.5638 . . . . . . . . 198 ASP CB . 53516 1 22 . 1 . 1 149 149 ASP N N 15 120.2743 . . . . . . . . 198 ASP N . 53516 1 23 . 1 . 1 150 150 MET H H 1 8.4254 . . . . . . . . 199 MET H . 53516 1 24 . 1 . 1 150 150 MET C C 13 173.8309 . . . . . . . . 199 MET C . 53516 1 25 . 1 . 1 150 150 MET CA C 13 53.0886 . . . . . . . . 199 MET CA . 53516 1 26 . 1 . 1 150 150 MET CB C 13 29.9318 . . . . . . . . 199 MET CB . 53516 1 27 . 1 . 1 150 150 MET N N 15 120.4332 . . . . . . . . 199 MET N . 53516 1 28 . 1 . 1 151 151 THR H H 1 8.2657 . . . . . . . . 200 THR H . 53516 1 29 . 1 . 1 151 151 THR C C 13 171.9781 . . . . . . . . 200 THR C . 53516 1 30 . 1 . 1 151 151 THR CA C 13 59.7786 . . . . . . . . 200 THR CA . 53516 1 31 . 1 . 1 151 151 THR CB C 13 67.1529 . . . . . . . . 200 THR CB . 53516 1 32 . 1 . 1 151 151 THR N N 15 114.4234 . . . . . . . . 200 THR N . 53516 1 33 . 1 . 1 152 152 THR H H 1 8.0514 . . . . . . . . 201 THR H . 53516 1 34 . 1 . 1 152 152 THR CA C 13 58.8964 . . . . . . . . 201 THR CA . 53516 1 35 . 1 . 1 152 152 THR CB C 13 67.4606 . . . . . . . . 201 THR CB . 53516 1 36 . 1 . 1 152 152 THR N N 15 115.3135 . . . . . . . . 201 THR N . 53516 1 37 . 1 . 1 153 153 HIS H H 1 8.2315 . . . . . . . . 202 HIS H . 53516 1 38 . 1 . 1 153 153 HIS C C 13 170.2667 . . . . . . . . 202 HIS C . 53516 1 39 . 1 . 1 153 153 HIS CA C 13 51.5815 . . . . . . . . 202 HIS CA . 53516 1 40 . 1 . 1 153 153 HIS CB C 13 27.7911 . . . . . . . . 202 HIS CB . 53516 1 41 . 1 . 1 153 153 HIS N N 15 122.0959 . . . . . . . . 202 HIS N . 53516 1 42 . 1 . 1 196 196 ALA H H 1 7.5637 . . . . . . . . 245 ALA H . 53516 1 43 . 1 . 1 196 196 ALA C C 13 175.965 . . . . . . . . 245 ALA C . 53516 1 44 . 1 . 1 196 196 ALA CA C 13 51.9491 . . . . . . . . 245 ALA CA . 53516 1 45 . 1 . 1 196 196 ALA CB C 13 16.8112 . . . . . . . . 245 ALA CB . 53516 1 46 . 1 . 1 196 196 ALA N N 15 119.252 . . . . . . . . 245 ALA N . 53516 1 47 . 1 . 1 197 197 SER H H 1 7.0681 . . . . . . . . 246 SER H . 53516 1 48 . 1 . 1 197 197 SER C C 13 171.6638 . . . . . . . . 246 SER C . 53516 1 49 . 1 . 1 197 197 SER CA C 13 58.198 . . . . . . . . 246 SER CA . 53516 1 50 . 1 . 1 197 197 SER N N 15 102.7262 . . . . . . . . 246 SER N . 53516 1 51 . 1 . 1 198 198 ASP H H 1 7.6041 . . . . . . . . 247 ASP H . 53516 1 52 . 1 . 1 198 198 ASP CA C 13 51.7653 . . . . . . . . 247 ASP CA . 53516 1 53 . 1 . 1 198 198 ASP N N 15 123.2618 . . . . . . . . 247 ASP N . 53516 1 54 . 1 . 1 209 209 ASP H H 1 8.5439 . . . . . . . . 258 ASP H . 53516 1 55 . 1 . 1 209 209 ASP C C 13 174.9889 . . . . . . . . 258 ASP C . 53516 1 56 . 1 . 1 209 209 ASP CA C 13 55.6249 . . . . . . . . 258 ASP CA . 53516 1 57 . 1 . 1 209 209 ASP CB C 13 37.8208 . . . . . . . . 258 ASP CB . 53516 1 58 . 1 . 1 209 209 ASP N N 15 120.8278 . . . . . . . . 258 ASP N . 53516 1 59 . 1 . 1 210 210 GLU H H 1 9.1364 . . . . . . . . 259 GLU H . 53516 1 60 . 1 . 1 210 210 GLU C C 13 176.7921 . . . . . . . . 259 GLU C . 53516 1 61 . 1 . 1 210 210 GLU CA C 13 57.1687 . . . . . . . . 259 GLU CA . 53516 1 62 . 1 . 1 210 210 GLU CB C 13 26.2028 . . . . . . . . 259 GLU CB . 53516 1 63 . 1 . 1 210 210 GLU N N 15 118.5201 . . . . . . . . 259 GLU N . 53516 1 64 . 1 . 1 211 211 GLN H H 1 7.3913 . . . . . . . . 260 GLN H . 53516 1 65 . 1 . 1 211 211 GLN C C 13 174.1618 . . . . . . . . 260 GLN C . 53516 1 66 . 1 . 1 211 211 GLN CA C 13 56.1395 . . . . . . . . 260 GLN CA . 53516 1 67 . 1 . 1 211 211 GLN CB C 13 26.6791 . . . . . . . . 260 GLN CB . 53516 1 68 . 1 . 1 211 211 GLN N N 15 117.8191 . . . . . . . . 260 GLN N . 53516 1 69 . 1 . 1 212 212 TYR H H 1 8.7091 . . . . . . . . 261 TYR H . 53516 1 70 . 1 . 1 212 212 TYR CA C 13 59.9624 . . . . . . . . 261 TYR CA . 53516 1 71 . 1 . 1 212 212 TYR N N 15 121.7632 . . . . . . . . 261 TYR N . 53516 1 72 . 1 . 1 213 213 ASP H H 1 8.3054 . . . . . . . . 262 ASP H . 53516 1 73 . 1 . 1 213 213 ASP CA C 13 54.8162 . . . . . . . . 262 ASP CA . 53516 1 74 . 1 . 1 213 213 ASP N N 15 120.0985 . . . . . . . . 262 ASP N . 53516 1 75 . 1 . 1 214 214 LEU H H 1 7.2088 . . . . . . . . 263 LEU H . 53516 1 76 . 1 . 1 214 214 LEU CA C 13 54.8897 . . . . . . . . 263 LEU CA . 53516 1 77 . 1 . 1 214 214 LEU N N 15 120.1409 . . . . . . . . 263 LEU N . 53516 1 78 . 1 . 1 216 216 THR H H 1 7.6116 . . . . . . . . 265 THR H . 53516 1 79 . 1 . 1 216 216 THR CA C 13 63.1971 . . . . . . . . 265 THR CA . 53516 1 80 . 1 . 1 216 216 THR CB C 13 66.048 . . . . . . . . 265 THR CB . 53516 1 81 . 1 . 1 216 216 THR N N 15 107.8329 . . . . . . . . 265 THR N . 53516 1 82 . 1 . 1 217 217 LYS H H 1 7.7896 . . . . . . . . 266 LYS H . 53516 1 83 . 1 . 1 217 217 LYS C C 13 176.7756 . . . . . . . . 266 LYS C . 53516 1 84 . 1 . 1 217 217 LYS CA C 13 57.132 . . . . . . . . 266 LYS CA . 53516 1 85 . 1 . 1 217 217 LYS CB C 13 29.3794 . . . . . . . . 266 LYS CB . 53516 1 86 . 1 . 1 217 217 LYS N N 15 123.9872 . . . . . . . . 266 LYS N . 53516 1 87 . 1 . 1 244 244 VAL H H 1 7.949 . . . . . . . . 293 VAL H . 53516 1 88 . 1 . 1 244 244 VAL CA C 13 65.1085 . . . . . . . . 293 VAL CA . 53516 1 89 . 1 . 1 244 244 VAL N N 15 117.3537 . . . . . . . . 293 VAL N . 53516 1 90 . 1 . 1 245 245 ALA H H 1 8.5961 . . . . . . . . 294 ALA H . 53516 1 91 . 1 . 1 245 245 ALA C C 13 176.6763 . . . . . . . . 294 ALA C . 53516 1 92 . 1 . 1 245 245 ALA CA C 13 52.5004 . . . . . . . . 294 ALA CA . 53516 1 93 . 1 . 1 245 245 ALA CB C 13 14.8086 . . . . . . . . 294 ALA CB . 53516 1 94 . 1 . 1 245 245 ALA N N 15 122.1431 . . . . . . . . 294 ALA N . 53516 1 95 . 1 . 1 246 246 ALA H H 1 8.1231 . . . . . . . . 295 ALA H . 53516 1 96 . 1 . 1 246 246 ALA C C 13 176.1139 . . . . . . . . 295 ALA C . 53516 1 97 . 1 . 1 246 246 ALA CA C 13 51.655 . . . . . . . . 295 ALA CA . 53516 1 98 . 1 . 1 246 246 ALA CB C 13 14.6878 . . . . . . . . 295 ALA CB . 53516 1 99 . 1 . 1 246 246 ALA N N 15 120.1343 . . . . . . . . 295 ALA N . 53516 1 100 . 1 . 1 247 247 PHE H H 1 7.7406 . . . . . . . . 296 PHE H . 53516 1 101 . 1 . 1 247 247 PHE C C 13 173.9136 . . . . . . . . 296 PHE C . 53516 1 102 . 1 . 1 247 247 PHE CA C 13 56.0292 . . . . . . . . 296 PHE CA . 53516 1 103 . 1 . 1 247 247 PHE CB C 13 37.0001 . . . . . . . . 296 PHE CB . 53516 1 104 . 1 . 1 247 247 PHE N N 15 114.0837 . . . . . . . . 296 PHE N . 53516 1 105 . 1 . 1 248 248 THR H H 1 7.8556 . . . . . . . . 297 THR H . 53516 1 106 . 1 . 1 248 248 THR C C 13 171.1509 . . . . . . . . 297 THR C . 53516 1 107 . 1 . 1 248 248 THR CA C 13 60.5505 . . . . . . . . 297 THR CA . 53516 1 108 . 1 . 1 248 248 THR CB C 13 67.4982 . . . . . . . . 297 THR CB . 53516 1 109 . 1 . 1 248 248 THR N N 15 114.0999 . . . . . . . . 297 THR N . 53516 1 110 . 1 . 1 249 249 LYS H H 1 7.902 . . . . . . . . 298 LYS H . 53516 1 111 . 1 . 1 249 249 LYS C C 13 178.7442 . . . . . . . . 298 LYS C . 53516 1 112 . 1 . 1 249 249 LYS CA C 13 54.853 . . . . . . . . 298 LYS CA . 53516 1 113 . 1 . 1 249 249 LYS CB C 13 30.708 . . . . . . . . 298 LYS CB . 53516 1 114 . 1 . 1 249 249 LYS N N 15 129.6113 . . . . . . . . 298 LYS N . 53516 1 stop_ save_