################################### # 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 53419 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FOXO4 CR2C' _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 '3D HNCO' . . . 53419 1 2 '3D HN(CA)CO' . . . 53419 1 3 '3D HNCACB' . . . 53419 1 4 '3D CBCA(CO)NH' . . . 53419 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 . . 53419 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 TYR H H 1 8.009 . . 1 . . . . . 341 TYR H . 53419 1 2 . 1 . 1 1 1 TYR C C 13 175.300 . . 1 . . . . . 341 TYR C . 53419 1 3 . 1 . 1 1 1 TYR CA C 13 57.620 . . 1 . . . . . 341 TYR CA . 53419 1 4 . 1 . 1 1 1 TYR CB C 13 38.570 . . 1 . . . . . 341 TYR CB . 53419 1 5 . 1 . 1 1 1 TYR N N 15 118.800 . . 1 . . . . . 341 TYR N . 53419 1 6 . 1 . 1 2 2 LEU H H 1 7.850 . . 1 . . . . . 345 LEU H . 53419 1 7 . 1 . 1 2 2 LEU C C 13 176.200 . . 1 . . . . . 345 LEU C . 53419 1 8 . 1 . 1 2 2 LEU CA C 13 54.980 . . 1 . . . . . 345 LEU CA . 53419 1 9 . 1 . 1 2 2 LEU CB C 13 42.470 . . 1 . . . . . 345 LEU CB . 53419 1 10 . 1 . 1 2 2 LEU N N 15 123.700 . . 1 . . . . . 345 LEU N . 53419 1 11 . 1 . 1 3 3 PHE H H 1 7.952 . . 1 . . . . . 346 PHE H . 53419 1 12 . 1 . 1 3 3 PHE C C 13 175.100 . . 1 . . . . . 346 PHE C . 53419 1 13 . 1 . 1 3 3 PHE CA C 13 57.420 . . 1 . . . . . 346 PHE CA . 53419 1 14 . 1 . 1 3 3 PHE CB C 13 39.810 . . 1 . . . . . 346 PHE CB . 53419 1 15 . 1 . 1 3 3 PHE N N 15 120.600 . . 1 . . . . . 346 PHE N . 53419 1 16 . 1 . 1 4 4 SER H H 1 8.088 . . 1 . . . . . 347 SER H . 53419 1 17 . 1 . 1 4 4 SER C C 13 178.300 . . 1 . . . . . 347 SER C . 53419 1 18 . 1 . 1 4 4 SER CA C 13 55.920 . . 1 . . . . . 347 SER CA . 53419 1 19 . 1 . 1 4 4 SER CB C 13 63.670 . . 1 . . . . . 347 SER CB . 53419 1 20 . 1 . 1 4 4 SER N N 15 119.000 . . 1 . . . . . 347 SER N . 53419 1 21 . 1 . 1 6 6 ALA H H 1 8.212 . . 1 . . . . . 349 ALA H . 53419 1 22 . 1 . 1 6 6 ALA C C 13 177.700 . . 1 . . . . . 349 ALA C . 53419 1 23 . 1 . 1 6 6 ALA CA C 13 52.700 . . 1 . . . . . 349 ALA CA . 53419 1 24 . 1 . 1 6 6 ALA CB C 13 19.160 . . 1 . . . . . 349 ALA CB . 53419 1 25 . 1 . 1 6 6 ALA N N 15 123.500 . . 1 . . . . . 349 ALA N . 53419 1 26 . 1 . 1 7 7 GLU H H 1 8.163 . . 1 . . . . . 350 GLU H . 53419 1 27 . 1 . 1 7 7 GLU C C 13 176.400 . . 1 . . . . . 350 GLU C . 53419 1 28 . 1 . 1 7 7 GLU CA C 13 56.330 . . 1 . . . . . 350 GLU CA . 53419 1 29 . 1 . 1 7 7 GLU CB C 13 30.650 . . 1 . . . . . 350 GLU CB . 53419 1 30 . 1 . 1 7 7 GLU N N 15 119.200 . . 1 . . . . . 350 GLU N . 53419 1 31 . 1 . 1 8 8 GLY H H 1 8.098 . . 1 . . . . . 351 GLY H . 53419 1 32 . 1 . 1 8 8 GLY C C 13 177.800 . . 1 . . . . . 351 GLY C . 53419 1 33 . 1 . 1 8 8 GLY CA C 13 44.720 . . 1 . . . . . 351 GLY CA . 53419 1 34 . 1 . 1 8 8 GLY N N 15 109.600 . . 1 . . . . . 351 GLY N . 53419 1 35 . 1 . 1 10 10 LEU H H 1 8.297 . . 1 . . . . . 353 LEU H . 53419 1 36 . 1 . 1 10 10 LEU C C 13 177.600 . . 1 . . . . . 353 LEU C . 53419 1 37 . 1 . 1 10 10 LEU CA C 13 55.300 . . 1 . . . . . 353 LEU CA . 53419 1 38 . 1 . 1 10 10 LEU CB C 13 42.190 . . 1 . . . . . 353 LEU CB . 53419 1 39 . 1 . 1 10 10 LEU N N 15 121.600 . . 1 . . . . . 353 LEU N . 53419 1 40 . 1 . 1 11 11 SER H H 1 8.132 . . 1 . . . . . 354 SER H . 53419 1 41 . 1 . 1 11 11 SER C C 13 174.200 . . 1 . . . . . 354 SER C . 53419 1 42 . 1 . 1 11 11 SER CA C 13 58.320 . . 1 . . . . . 354 SER CA . 53419 1 43 . 1 . 1 11 11 SER CB C 13 63.980 . . 1 . . . . . 354 SER CB . 53419 1 44 . 1 . 1 11 11 SER N N 15 116.200 . . 1 . . . . . 354 SER N . 53419 1 45 . 1 . 1 12 12 ALA H H 1 8.249 . . 1 . . . . . 355 ALA H . 53419 1 46 . 1 . 1 12 12 ALA C C 13 178.000 . . 1 . . . . . 355 ALA C . 53419 1 47 . 1 . 1 12 12 ALA CA C 13 52.760 . . 1 . . . . . 355 ALA CA . 53419 1 48 . 1 . 1 12 12 ALA CB C 13 19.250 . . 1 . . . . . 355 ALA CB . 53419 1 49 . 1 . 1 12 12 ALA N N 15 125.700 . . 1 . . . . . 355 ALA N . 53419 1 50 . 1 . 1 13 13 GLY H H 1 8.213 . . 1 . . . . . 356 GLY H . 53419 1 51 . 1 . 1 13 13 GLY C C 13 174.100 . . 1 . . . . . 356 GLY C . 53419 1 52 . 1 . 1 13 13 GLY CA C 13 45.250 . . 1 . . . . . 356 GLY CA . 53419 1 53 . 1 . 1 13 13 GLY N N 15 107.800 . . 1 . . . . . 356 GLY N . 53419 1 54 . 1 . 1 14 14 GLU H H 1 8.232 . . 1 . . . . . 357 GLU H . 53419 1 55 . 1 . 1 14 14 GLU C C 13 177.100 . . 1 . . . . . 357 GLU C . 53419 1 56 . 1 . 1 14 14 GLU CA C 13 56.840 . . 1 . . . . . 357 GLU CA . 53419 1 57 . 1 . 1 14 14 GLU CB C 13 30.270 . . 1 . . . . . 357 GLU CB . 53419 1 58 . 1 . 1 14 14 GLU N N 15 120.500 . . 1 . . . . . 357 GLU N . 53419 1 59 . 1 . 1 15 15 GLY H H 1 8.430 . . 1 . . . . . 358 GLY H . 53419 1 60 . 1 . 1 15 15 GLY C C 13 174.000 . . 1 . . . . . 358 GLY C . 53419 1 61 . 1 . 1 15 15 GLY CA C 13 45.430 . . 1 . . . . . 358 GLY CA . 53419 1 62 . 1 . 1 15 15 GLY N N 15 109.800 . . 1 . . . . . 358 GLY N . 53419 1 63 . 1 . 1 16 16 CYS H H 1 7.993 . . 1 . . . . . 359 CYS H . 53419 1 64 . 1 . 1 16 16 CYS C C 13 174.300 . . 1 . . . . . 359 CYS C . 53419 1 65 . 1 . 1 16 16 CYS CA C 13 58.450 . . 1 . . . . . 359 CYS CA . 53419 1 66 . 1 . 1 16 16 CYS CB C 13 27.890 . . 1 . . . . . 359 CYS CB . 53419 1 67 . 1 . 1 16 16 CYS N N 15 118.400 . . 1 . . . . . 359 CYS N . 53419 1 68 . 1 . 1 17 17 PHE H H 1 8.292 . . 1 . . . . . 360 PHE H . 53419 1 69 . 1 . 1 17 17 PHE C C 13 175.700 . . 1 . . . . . 360 PHE C . 53419 1 70 . 1 . 1 17 17 PHE CA C 13 57.780 . . 1 . . . . . 360 PHE CA . 53419 1 71 . 1 . 1 17 17 PHE CB C 13 39.610 . . 1 . . . . . 360 PHE CB . 53419 1 72 . 1 . 1 17 17 PHE N N 15 122.500 . . 1 . . . . . 360 PHE N . 53419 1 73 . 1 . 1 18 18 SER H H 1 8.164 . . 1 . . . . . 361 SER H . 53419 1 74 . 1 . 1 18 18 SER C C 13 174.500 . . 1 . . . . . 361 SER C . 53419 1 75 . 1 . 1 18 18 SER CA C 13 58.270 . . 1 . . . . . 361 SER CA . 53419 1 76 . 1 . 1 18 18 SER CB C 13 64.050 . . 1 . . . . . 361 SER CB . 53419 1 77 . 1 . 1 18 18 SER N N 15 117.200 . . 1 . . . . . 361 SER N . 53419 1 78 . 1 . 1 19 19 SER H H 1 8.321 . . 1 . . . . . 362 SER H . 53419 1 79 . 1 . 1 19 19 SER C C 13 174.800 . . 1 . . . . . 362 SER C . 53419 1 80 . 1 . 1 19 19 SER CA C 13 58.760 . . 1 . . . . . 362 SER CA . 53419 1 81 . 1 . 1 19 19 SER CB C 13 63.750 . . 1 . . . . . 362 SER CB . 53419 1 82 . 1 . 1 19 19 SER N N 15 117.900 . . 1 . . . . . 362 SER N . 53419 1 83 . 1 . 1 20 20 SER H H 1 8.294 . . 1 . . . . . 363 SER H . 53419 1 84 . 1 . 1 20 20 SER C C 13 174.900 . . 1 . . . . . 363 SER C . 53419 1 85 . 1 . 1 20 20 SER CA C 13 59.120 . . 1 . . . . . 363 SER CA . 53419 1 86 . 1 . 1 20 20 SER CB C 13 63.530 . . 1 . . . . . 363 SER CB . 53419 1 87 . 1 . 1 20 20 SER N N 15 117.500 . . 1 . . . . . 363 SER N . 53419 1 88 . 1 . 1 21 21 GLN H H 1 8.198 . . 1 . . . . . 364 GLN H . 53419 1 89 . 1 . 1 21 21 GLN C C 13 176.000 . . 1 . . . . . 364 GLN C . 53419 1 90 . 1 . 1 21 21 GLN CA C 13 56.510 . . 1 . . . . . 364 GLN CA . 53419 1 91 . 1 . 1 21 21 GLN CB C 13 29.240 . . 1 . . . . . 364 GLN CB . 53419 1 92 . 1 . 1 21 21 GLN N N 15 122.100 . . 1 . . . . . 364 GLN N . 53419 1 93 . 1 . 1 22 22 ALA H H 1 8.127 . . 1 . . . . . 365 ALA H . 53419 1 94 . 1 . 1 22 22 ALA C C 13 178.100 . . 1 . . . . . 365 ALA C . 53419 1 95 . 1 . 1 22 22 ALA CA C 13 53.030 . . 1 . . . . . 365 ALA CA . 53419 1 96 . 1 . 1 22 22 ALA CB C 13 18.870 . . 1 . . . . . 365 ALA CB . 53419 1 97 . 1 . 1 22 22 ALA N N 15 124.500 . . 1 . . . . . 365 ALA N . 53419 1 98 . 1 . 1 23 23 LEU H H 1 8.015 . . 1 . . . . . 366 LEU H . 53419 1 99 . 1 . 1 23 23 LEU C C 13 177.900 . . 1 . . . . . 366 LEU C . 53419 1 100 . 1 . 1 23 23 LEU CA C 13 55.900 . . 1 . . . . . 366 LEU CA . 53419 1 101 . 1 . 1 23 23 LEU CB C 13 42.200 . . 1 . . . . . 366 LEU CB . 53419 1 102 . 1 . 1 23 23 LEU N N 15 120.800 . . 1 . . . . . 366 LEU N . 53419 1 103 . 1 . 1 24 24 GLU H H 1 8.203 . . 1 . . . . . 367 GLU H . 53419 1 104 . 1 . 1 24 24 GLU C C 13 176.600 . . 1 . . . . . 367 GLU C . 53419 1 105 . 1 . 1 24 24 GLU CA C 13 57.230 . . 1 . . . . . 367 GLU CA . 53419 1 106 . 1 . 1 24 24 GLU CB C 13 29.990 . . 1 . . . . . 367 GLU CB . 53419 1 107 . 1 . 1 24 24 GLU N N 15 120.600 . . 1 . . . . . 367 GLU N . 53419 1 108 . 1 . 1 25 25 ALA H H 1 8.009 . . 1 . . . . . 368 ALA H . 53419 1 109 . 1 . 1 25 25 ALA C C 13 177.700 . . 1 . . . . . 368 ALA C . 53419 1 110 . 1 . 1 25 25 ALA CA C 13 52.800 . . 1 . . . . . 368 ALA CA . 53419 1 111 . 1 . 1 25 25 ALA CB C 13 18.990 . . 1 . . . . . 368 ALA CB . 53419 1 112 . 1 . 1 25 25 ALA N N 15 123.600 . . 1 . . . . . 368 ALA N . 53419 1 113 . 1 . 1 26 26 LEU H H 1 7.912 . . 1 . . . . . 369 LEU H . 53419 1 114 . 1 . 1 26 26 LEU C C 13 177.500 . . 1 . . . . . 369 LEU C . 53419 1 115 . 1 . 1 26 26 LEU CA C 13 55.380 . . 1 . . . . . 369 LEU CA . 53419 1 116 . 1 . 1 26 26 LEU CB C 13 42.310 . . 1 . . . . . 369 LEU CB . 53419 1 117 . 1 . 1 26 26 LEU N N 15 120.400 . . 1 . . . . . 369 LEU N . 53419 1 118 . 1 . 1 27 27 LEU H H 1 8.071 . . 1 . . . . . 370 LEU H . 53419 1 119 . 1 . 1 27 27 LEU C C 13 177.600 . . 1 . . . . . 370 LEU C . 53419 1 120 . 1 . 1 27 27 LEU CA C 13 55.330 . . 1 . . . . . 370 LEU CA . 53419 1 121 . 1 . 1 27 27 LEU CB C 13 42.280 . . 1 . . . . . 370 LEU CB . 53419 1 122 . 1 . 1 27 27 LEU N N 15 122.200 . . 1 . . . . . 370 LEU N . 53419 1 123 . 1 . 1 28 28 THR H H 1 7.969 . . 1 . . . . . 371 THR H . 53419 1 124 . 1 . 1 28 28 THR C C 13 174.400 . . 1 . . . . . 371 THR C . 53419 1 125 . 1 . 1 28 28 THR CA C 13 61.530 . . 1 . . . . . 371 THR CA . 53419 1 126 . 1 . 1 28 28 THR CB C 13 69.950 . . 1 . . . . . 371 THR CB . 53419 1 127 . 1 . 1 28 28 THR N N 15 113.800 . . 1 . . . . . 371 THR N . 53419 1 128 . 1 . 1 29 29 SER H H 1 8.170 . . 1 . . . . . 372 SER H . 53419 1 129 . 1 . 1 29 29 SER C C 13 174.100 . . 1 . . . . . 372 SER C . 53419 1 130 . 1 . 1 29 29 SER CA C 13 58.320 . . 1 . . . . . 372 SER CA . 53419 1 131 . 1 . 1 29 29 SER CB C 13 64.060 . . 1 . . . . . 372 SER CB . 53419 1 132 . 1 . 1 29 29 SER N N 15 117.400 . . 1 . . . . . 372 SER N . 53419 1 133 . 1 . 1 30 30 ASP H H 1 8.329 . . 1 . . . . . 373 ASP H . 53419 1 134 . 1 . 1 30 30 ASP C C 13 175.900 . . 1 . . . . . 373 ASP C . 53419 1 135 . 1 . 1 30 30 ASP CA C 13 54.420 . . 1 . . . . . 373 ASP CA . 53419 1 136 . 1 . 1 30 30 ASP CB C 13 41.180 . . 1 . . . . . 373 ASP CB . 53419 1 137 . 1 . 1 30 30 ASP N N 15 122.400 . . 1 . . . . . 373 ASP N . 53419 1 138 . 1 . 1 31 31 THR H H 1 8.038 . . 1 . . . . . 374 THR H . 53419 1 139 . 1 . 1 31 31 THR C C 13 178.200 . . 1 . . . . . 374 THR C . 53419 1 140 . 1 . 1 31 31 THR CA C 13 59.760 . . 1 . . . . . 374 THR CA . 53419 1 141 . 1 . 1 31 31 THR CB C 13 70.000 . . 1 . . . . . 374 THR CB . 53419 1 142 . 1 . 1 31 31 THR N N 15 116.800 . . 1 . . . . . 374 THR N . 53419 1 stop_ save_