################################### # 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 53507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FOXO1-IDR _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 15N-13C CON-IPAP' . . . 53507 1 2 '3D (HACA)N(CA)CON-IPAP' . . . 53507 1 3 '3D (H)CCCON-IPAP' . . . 53507 1 5 '3D (HACA)N(CA)NCO-IPAP' . . . 53507 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 . . 53507 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 VAL C C 13 173.5 . . . . . . . . 226 V CO . 53507 1 2 . 1 . 1 1 1 VAL CB C 13 35.1 . . . . . . . . 226 V CB . 53507 1 3 . 1 . 1 1 1 VAL CG1 C 13 23.03 . . . . . . . . 226 V CG1 . 53507 1 4 . 1 . 1 1 1 VAL N N 15 119.4 . . . . . . . . 226 V N . 53507 1 5 . 1 . 1 2 2 GLN C C 13 172.9 . . . . . . . . 227 Q CO . 53507 1 6 . 1 . 1 2 2 GLN CB C 13 31.76 . . . . . . . . 227 Q CB . 53507 1 7 . 1 . 1 2 2 GLN CG C 13 36.01 . . . . . . . . 227 Q CG . 53507 1 8 . 1 . 1 2 2 GLN N N 15 123.9 . . . . . . . . 227 Q N . 53507 1 9 . 1 . 1 3 3 ASN C C 13 172.4 . . . . . . . . 228 N CO . 53507 1 10 . 1 . 1 3 3 ASN CB C 13 41.4 . . . . . . . . 228 N CB . 53507 1 11 . 1 . 1 3 3 ASN N N 15 120.1 . . . . . . . . 228 N N . 53507 1 12 . 1 . 1 4 4 GLU C C 13 174.3 . . . . . . . . 229 E CO . 53507 1 13 . 1 . 1 4 4 GLU CB C 13 32.92 . . . . . . . . 229 E CB . 53507 1 14 . 1 . 1 4 4 GLU CG C 13 38.57 . . . . . . . . 229 E CG . 53507 1 15 . 1 . 1 4 4 GLU N N 15 121.5 . . . . . . . . 229 E N . 53507 1 16 . 1 . 1 5 5 GLY C C 13 171.9 . . . . . . . . 230 G CO . 53507 1 17 . 1 . 1 5 5 GLY N N 15 109.5 . . . . . . . . 230 G N . 53507 1 18 . 1 . 1 6 6 THR C C 13 172.8 . . . . . . . . 231 T CO . 53507 1 19 . 1 . 1 6 6 THR CB C 13 71.98 . . . . . . . . 231 T CB . 53507 1 20 . 1 . 1 6 6 THR CG2 C 13 23.68 . . . . . . . . 231 T CG . 53507 1 21 . 1 . 1 6 6 THR N N 15 112.8 . . . . . . . . 231 T N . 53507 1 22 . 1 . 1 7 7 GLY C C 13 171.6 . . . . . . . . 232 G CO . 53507 1 23 . 1 . 1 7 7 GLY N N 15 111.2 . . . . . . . . 232 G N . 53507 1 24 . 1 . 1 8 8 LYS C C 13 174.2 . . . . . . . . 233 K CO . 53507 1 25 . 1 . 1 8 8 LYS CB C 13 35.22 . . . . . . . . 233 K CB . 53507 1 26 . 1 . 1 8 8 LYS CG C 13 27.35 . . . . . . . . 233 K CG . 53507 1 27 . 1 . 1 8 8 LYS CD C 13 31.64 . . . . . . . . 233 K CD . 53507 1 28 . 1 . 1 8 8 LYS CE C 13 44.5 . . . . . . . . 233 K CE . 53507 1 29 . 1 . 1 8 8 LYS N N 15 120.7 . . . . . . . . 233 K N . 53507 1 30 . 1 . 1 9 9 SER C C 13 172.1 . . . . . . . . 234 S CO . 53507 1 31 . 1 . 1 9 9 SER CB C 13 65.92 . . . . . . . . 234 S CB . 53507 1 32 . 1 . 1 9 9 SER N N 15 116.4 . . . . . . . . 234 S N . 53507 1 33 . 1 . 1 10 10 SER C C 13 172.2 . . . . . . . . 235 S CO . 53507 1 34 . 1 . 1 10 10 SER CB C 13 65.41 . . . . . . . . 235 S CB . 53507 1 35 . 1 . 1 10 10 SER N N 15 117.5 . . . . . . . . 235 S N . 53507 1 36 . 1 . 1 11 11 TRP C C 13 173.9 . . . . . . . . 236 W CO . 53507 1 37 . 1 . 1 11 11 TRP CB C 13 31.43 . . . . . . . . 236 W CB . 53507 1 38 . 1 . 1 11 11 TRP N N 15 122.4 . . . . . . . . 236 W N . 53507 1 39 . 1 . 1 12 12 TRP C C 13 173.5 . . . . . . . . 237 W CO . 53507 1 40 . 1 . 1 12 12 TRP CB C 13 30.91 . . . . . . . . 237 W CB . 53507 1 41 . 1 . 1 12 12 TRP N N 15 119.8 . . . . . . . . 237 W N . 53507 1 42 . 1 . 1 13 13 MET C C 13 173.2 . . . . . . . . 238 M CO . 53507 1 43 . 1 . 1 13 13 MET CB C 13 34.73 . . . . . . . . 238 M CB . 53507 1 44 . 1 . 1 13 13 MET N N 15 119.8 . . . . . . . . 238 M N . 53507 1 45 . 1 . 1 14 14 LEU C C 13 173.9 . . . . . . . . 239 L CO . 53507 1 46 . 1 . 1 14 14 LEU CB C 13 44.8 . . . . . . . . 239 L CB . 53507 1 47 . 1 . 1 14 14 LEU CG C 13 29.33 . . . . . . . . 239 L CG . 53507 1 48 . 1 . 1 14 14 LEU CD1 C 13 25.74 . . . . . . . . 239 L CD1 . 53507 1 49 . 1 . 1 14 14 LEU CD2 C 13 27.11 . . . . . . . . 239 L CD2 . 53507 1 50 . 1 . 1 14 14 LEU N N 15 120.9 . . . . . . . . 239 L N . 53507 1 51 . 1 . 1 15 15 ASN C C 13 170.5 . . . . . . . . 240 N CO . 53507 1 52 . 1 . 1 15 15 ASN CB C 13 41.51 . . . . . . . . 240 N CB . 53507 1 53 . 1 . 1 15 15 ASN N N 15 118.9 . . . . . . . . 240 N N . 53507 1 54 . 1 . 1 16 16 PRO C C 13 174.7 . . . . . . . . 241 P CO . 53507 1 55 . 1 . 1 16 16 PRO CB C 13 34.3 . . . . . . . . 241 P CB . 53507 1 56 . 1 . 1 16 16 PRO CG C 13 29.72 . . . . . . . . 241 P CG . 53507 1 57 . 1 . 1 16 16 PRO CD C 13 53.01 . . . . . . . . 241 P CD . 53507 1 58 . 1 . 1 16 16 PRO N N 15 137 . . . . . . . . 241 P N . 53507 1 59 . 1 . 1 17 17 GLU C C 13 174.6 . . . . . . . . 242 E CO . 53507 1 60 . 1 . 1 17 17 GLU CB C 13 32.45 . . . . . . . . 242 E CB . 53507 1 61 . 1 . 1 17 17 GLU CG C 13 38.7 . . . . . . . . 242 E CG . 53507 1 62 . 1 . 1 17 17 GLU N N 15 119.7 . . . . . . . . 242 E N . 53507 1 63 . 1 . 1 18 18 GLY C C 13 172.1 . . . . . . . . 243 G CO . 53507 1 64 . 1 . 1 18 18 GLY N N 15 109.3 . . . . . . . . 243 G N . 53507 1 65 . 1 . 1 19 19 GLY C C 13 171.7 . . . . . . . . 244 G CO . 53507 1 66 . 1 . 1 19 19 GLY N N 15 108.6 . . . . . . . . 244 G N . 53507 1 67 . 1 . 1 20 20 LYS C C 13 174.2 . . . . . . . . 245 K CO . 53507 1 68 . 1 . 1 20 20 LYS CB C 13 35.28 . . . . . . . . 245 K CB . 53507 1 69 . 1 . 1 20 20 LYS CG C 13 27.13 . . . . . . . . 245 K CG . 53507 1 70 . 1 . 1 20 20 LYS CD C 13 31.54 . . . . . . . . 245 K CD . 53507 1 71 . 1 . 1 20 20 LYS CE C 13 44.6 . . . . . . . . 245 K CE . 53507 1 72 . 1 . 1 20 20 LYS N N 15 120.6 . . . . . . . . 245 K N . 53507 1 73 . 1 . 1 21 21 SER C C 13 172.4 . . . . . . . . 246 S CO . 53507 1 74 . 1 . 1 21 21 SER CB C 13 66.19 . . . . . . . . 246 S CB . 53507 1 75 . 1 . 1 21 21 SER N N 15 116.3 . . . . . . . . 246 S N . 53507 1 76 . 1 . 1 22 22 GLY C C 13 171.3 . . . . . . . . 247 G CO . 53507 1 77 . 1 . 1 22 22 GLY N N 15 110.7 . . . . . . . . 247 G N . 53507 1 78 . 1 . 1 23 23 LYS C C 13 173.8 . . . . . . . . 248 K CO . 53507 1 79 . 1 . 1 23 23 LYS CB C 13 35.56 . . . . . . . . 248 K CB . 53507 1 80 . 1 . 1 23 23 LYS CG C 13 27.07 . . . . . . . . 248 K CG . 53507 1 81 . 1 . 1 23 23 LYS CD C 13 31.57 . . . . . . . . 248 K CD . 53507 1 82 . 1 . 1 23 23 LYS CE C 13 44.56 . . . . . . . . 248 K CE . 53507 1 83 . 1 . 1 23 23 LYS N N 15 120.4 . . . . . . . . 248 K N . 53507 1 84 . 1 . 1 24 24 SER C C 13 170.1 . . . . . . . . 249 S CO . 53507 1 85 . 1 . 1 24 24 SER CB C 13 66.13 . . . . . . . . 249 S CB . 53507 1 86 . 1 . 1 24 24 SER N N 15 118.3 . . . . . . . . 249 S N . 53507 1 87 . 1 . 1 25 25 PRO C C 13 174.1 . . . . . . . . 250 P CO . 53507 1 88 . 1 . 1 25 25 PRO CB C 13 34.36 . . . . . . . . 250 P CB . 53507 1 89 . 1 . 1 25 25 PRO CG C 13 29.79 . . . . . . . . 250 P CG . 53507 1 90 . 1 . 1 25 25 PRO CD C 13 53.13 . . . . . . . . 250 P CD . 53507 1 91 . 1 . 1 25 25 PRO N N 15 137.8 . . . . . . . . 250 P N . 53507 1 92 . 1 . 1 26 26 ARG C C 13 173.7 . . . . . . . . 251 R CO . 53507 1 93 . 1 . 1 26 26 ARG CB C 13 33.06 . . . . . . . . 251 R CB . 53507 1 94 . 1 . 1 26 26 ARG CG C 13 29.24 . . . . . . . . 251 R CG . 53507 1 95 . 1 . 1 26 26 ARG CD C 13 45.59 . . . . . . . . 251 R CD . 53507 1 96 . 1 . 1 26 26 ARG N N 15 121.1 . . . . . . . . 251 R N . 53507 1 97 . 1 . 1 27 27 ARG C C 13 173.5 . . . . . . . . 252 R CO . 53507 1 98 . 1 . 1 27 27 ARG CB C 13 33.17 . . . . . . . . 252 R CB . 53507 1 99 . 1 . 1 27 27 ARG CG C 13 29.42 . . . . . . . . 252 R CG . 53507 1 100 . 1 . 1 27 27 ARG CD C 13 45.57 . . . . . . . . 252 R CD . 53507 1 101 . 1 . 1 27 27 ARG N N 15 122.6 . . . . . . . . 252 R N . 53507 1 102 . 1 . 1 28 28 ARG C C 13 173.3 . . . . . . . . 253 R CO . 53507 1 103 . 1 . 1 28 28 ARG CB C 13 33.23 . . . . . . . . 253 R CB . 53507 1 104 . 1 . 1 28 28 ARG CG C 13 29.32 . . . . . . . . 253 R CG . 53507 1 105 . 1 . 1 28 28 ARG CD C 13 45.63 . . . . . . . . 253 R CD . 53507 1 106 . 1 . 1 28 28 ARG N N 15 122.9 . . . . . . . . 253 R N . 53507 1 107 . 1 . 1 29 29 ALA C C 13 174.8 . . . . . . . . 254 A CO . 53507 1 108 . 1 . 1 29 29 ALA N N 15 125.7 . . . . . . . . 254 A N . 53507 1 109 . 1 . 1 30 30 ALA C C 13 175.2 . . . . . . . . 255 A CO . 53507 1 110 . 1 . 1 30 30 ALA CB C 13 21.7 . . . . . . . . 255 A CB . 53507 1 111 . 1 . 1 30 30 ALA N N 15 123.4 . . . . . . . . 255 A N . 53507 1 112 . 1 . 1 31 31 SER C C 13 172 . . . . . . . . 256 S CO . 53507 1 113 . 1 . 1 31 31 SER CB C 13 66.15 . . . . . . . . 256 S CB . 53507 1 114 . 1 . 1 31 31 SER N N 15 114.6 . . . . . . . . 256 S N . 53507 1 115 . 1 . 1 32 32 MET C C 13 173.2 . . . . . . . . 257 M CO . 53507 1 116 . 1 . 1 32 32 MET CB C 13 34.77 . . . . . . . . 257 M CB . 53507 1 117 . 1 . 1 32 32 MET N N 15 121.9 . . . . . . . . 257 M N . 53507 1 118 . 1 . 1 33 33 ASP C C 13 173.5 . . . . . . . . 258 D CO . 53507 1 119 . 1 . 1 33 33 ASP CB C 13 43.68 . . . . . . . . 258 D CB . 53507 1 120 . 1 . 1 33 33 ASP N N 15 121 . . . . . . . . 258 D N . 53507 1 121 . 1 . 1 34 34 ASN C C 13 172.7 . . . . . . . . 259 N CO . 53507 1 122 . 1 . 1 34 34 ASN CB C 13 41.03 . . . . . . . . 259 N CB . 53507 1 123 . 1 . 1 34 34 ASN N N 15 119.4 . . . . . . . . 259 N N . 53507 1 124 . 1 . 1 35 35 ASN C C 13 173.1 . . . . . . . . 260 N CO . 53507 1 125 . 1 . 1 35 35 ASN CB C 13 41.23 . . . . . . . . 260 N CB . 53507 1 126 . 1 . 1 35 35 ASN N N 15 118.8 . . . . . . . . 260 N N . 53507 1 127 . 1 . 1 36 36 SER C C 13 172.3 . . . . . . . . 261 S CO . 53507 1 128 . 1 . 1 36 36 SER CB C 13 65.42 . . . . . . . . 261 S CB . 53507 1 129 . 1 . 1 36 36 SER N N 15 116.2 . . . . . . . . 261 S N . 53507 1 130 . 1 . 1 37 37 LYS C C 13 174 . . . . . . . . 262 K CO . 53507 1 131 . 1 . 1 37 37 LYS CB C 13 34.8 . . . . . . . . 262 K CB . 53507 1 132 . 1 . 1 37 37 LYS CG C 13 26.95 . . . . . . . . 262 K CG . 53507 1 133 . 1 . 1 37 37 LYS CD C 13 31.47 . . . . . . . . 262 K CD . 53507 1 134 . 1 . 1 37 37 LYS CE C 13 44.56 . . . . . . . . 262 K CE . 53507 1 135 . 1 . 1 37 37 LYS N N 15 122.5 . . . . . . . . 262 K N . 53507 1 136 . 1 . 1 38 38 PHE C C 13 173 . . . . . . . . 263 F CO . 53507 1 137 . 1 . 1 38 38 PHE CB C 13 41.38 . . . . . . . . 263 F CB . 53507 1 138 . 1 . 1 38 38 PHE N N 15 119.3 . . . . . . . . 263 F N . 53507 1 139 . 1 . 1 39 39 ALA C C 13 175.1 . . . . . . . . 264 A CO . 53507 1 140 . 1 . 1 39 39 ALA CB C 13 21.74 . . . . . . . . 264 A CB . 53507 1 141 . 1 . 1 39 39 ALA N N 15 124.6 . . . . . . . . 264 A N . 53507 1 142 . 1 . 1 40 40 LYS C C 13 174.2 . . . . . . . . 265 K CO . 53507 1 143 . 1 . 1 40 40 LYS CB C 13 35.33 . . . . . . . . 265 K CB . 53507 1 144 . 1 . 1 40 40 LYS CG C 13 27.11 . . . . . . . . 265 K CG . 53507 1 145 . 1 . 1 40 40 LYS CD C 13 31.54 . . . . . . . . 265 K CD . 53507 1 146 . 1 . 1 40 40 LYS CE C 13 44.55 . . . . . . . . 265 K CE . 53507 1 147 . 1 . 1 40 40 LYS N N 15 120.1 . . . . . . . . 265 K N . 53507 1 148 . 1 . 1 41 41 SER C C 13 171.9 . . . . . . . . 266 S CO . 53507 1 149 . 1 . 1 41 41 SER CB C 13 66.14 . . . . . . . . 266 S CB . 53507 1 150 . 1 . 1 41 41 SER N N 15 116.4 . . . . . . . . 266 S N . 53507 1 151 . 1 . 1 42 42 ARG C C 13 173.7 . . . . . . . . 267 R CO . 53507 1 152 . 1 . 1 42 42 ARG CB C 13 33.05 . . . . . . . . 267 R CB . 53507 1 153 . 1 . 1 42 42 ARG CG C 13 29.17 . . . . . . . . 267 R CG . 53507 1 154 . 1 . 1 42 42 ARG CD C 13 45.6 . . . . . . . . 267 R CD . 53507 1 155 . 1 . 1 42 42 ARG N N 15 122.8 . . . . . . . . 267 R N . 53507 1 156 . 1 . 1 43 43 SER C C 13 171.6 . . . . . . . . 268 S CO . 53507 1 157 . 1 . 1 43 43 SER CB C 13 66.14 . . . . . . . . 268 S CB . 53507 1 158 . 1 . 1 43 43 SER N N 15 116.8 . . . . . . . . 268 S N . 53507 1 159 . 1 . 1 44 44 ARG C C 13 172.2 . . . . . . . . 269 R CO . 53507 1 160 . 1 . 1 44 44 ARG CB C 13 33.19 . . . . . . . . 269 R CB . 53507 1 161 . 1 . 1 44 44 ARG CG C 13 29.06 . . . . . . . . 269 R CG . 53507 1 162 . 1 . 1 44 44 ARG CD C 13 45.61 . . . . . . . . 269 R CD . 53507 1 163 . 1 . 1 44 44 ARG N N 15 123.2 . . . . . . . . 269 R N . 53507 1 164 . 1 . 1 45 45 ALA N N 15 130.7 . . . . . . . . 270 A N . 53507 1 stop_ save_