################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.500 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This strongest intensity population is called Major conformer. ; _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' . . . 26702 1 2 '3D HNCACB' . . . 26702 1 3 '3D HN(CO)CACB' . . . 26702 1 4 '3D HNCO' . . . 26702 1 5 '3D HN(CA)CO' . . . 26702 1 6 '3D HN(CA)NNH' . . . 26702 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 224 224 ASP H H 1 8.251 0.007 . 1 . . . . 251 ASP H . 26702 1 2 . 1 1 224 224 ASP C C 13 176.246 0.100 . 1 . . . . 251 ASP C . 26702 1 3 . 1 1 224 224 ASP CA C 13 54.343 0.500 . 1 . . . . 251 ASP CA . 26702 1 4 . 1 1 224 224 ASP CB C 13 40.866 0.500 . 1 . . . . 251 ASP CB . 26702 1 5 . 1 1 224 224 ASP N N 15 119.629 0.120 . 1 . . . . 251 ASP N . 26702 1 6 . 1 1 225 225 ALA H H 1 8.074 0.007 . 1 . . . . 252 ALA H . 26702 1 7 . 1 1 225 225 ALA C C 13 177.901 0.100 . 1 . . . . 252 ALA C . 26702 1 8 . 1 1 225 225 ALA CA C 13 53.455 0.500 . 1 . . . . 252 ALA CA . 26702 1 9 . 1 1 225 225 ALA CB C 13 19.062 0.500 . 1 . . . . 252 ALA CB . 26702 1 10 . 1 1 225 225 ALA N N 15 123.909 0.120 . 1 . . . . 252 ALA N . 26702 1 11 . 1 1 226 226 ASP H H 1 8.266 0.007 . 1 . . . . 253 ASP H . 26702 1 12 . 1 1 226 226 ASP C C 13 176.629 0.100 . 1 . . . . 253 ASP C . 26702 1 13 . 1 1 226 226 ASP CA C 13 54.980 0.500 . 1 . . . . 253 ASP CA . 26702 1 14 . 1 1 226 226 ASP CB C 13 40.573 0.500 . 1 . . . . 253 ASP CB . 26702 1 15 . 1 1 226 226 ASP N N 15 118.397 0.120 . 1 . . . . 253 ASP N . 26702 1 16 . 1 1 227 227 LEU H H 1 7.918 0.007 . 1 . . . . 254 LEU H . 26702 1 17 . 1 1 227 227 LEU C C 13 177.588 0.100 . 1 . . . . 254 LEU C . 26702 1 18 . 1 1 227 227 LEU CA C 13 55.555 0.500 . 1 . . . . 254 LEU CA . 26702 1 19 . 1 1 227 227 LEU CB C 13 41.926 0.500 . 1 . . . . 254 LEU CB . 26702 1 20 . 1 1 227 227 LEU N N 15 121.890 0.120 . 1 . . . . 254 LEU N . 26702 1 21 . 1 1 228 228 ILE H H 1 7.939 0.007 . 1 . . . . 255 ILE H . 26702 1 22 . 1 1 228 228 ILE C C 13 176.962 0.100 . 1 . . . . 255 ILE C . 26702 1 23 . 1 1 228 228 ILE CA C 13 62.054 0.500 . 1 . . . . 255 ILE CA . 26702 1 24 . 1 1 228 228 ILE CB C 13 37.977 0.500 . 1 . . . . 255 ILE CB . 26702 1 25 . 1 1 228 228 ILE N N 15 121.221 0.120 . 1 . . . . 255 ILE N . 26702 1 26 . 1 1 229 229 GLU H H 1 8.322 0.007 . 1 . . . . 256 GLU H . 26702 1 27 . 1 1 229 229 GLU C C 13 176.978 0.100 . 1 . . . . 256 GLU C . 26702 1 28 . 1 1 229 229 GLU CA C 13 57.439 0.500 . 1 . . . . 256 GLU CA . 26702 1 29 . 1 1 229 229 GLU CB C 13 29.820 0.500 . 1 . . . . 256 GLU CB . 26702 1 30 . 1 1 229 229 GLU N N 15 123.472 0.120 . 1 . . . . 256 GLU N . 26702 1 31 . 1 1 230 230 ALA H H 1 8.166 0.007 . 1 . . . . 257 ALA H . 26702 1 32 . 1 1 230 230 ALA C C 13 178.227 0.100 . 1 . . . . 257 ALA C . 26702 1 33 . 1 1 230 230 ALA CA C 13 53.619 0.500 . 1 . . . . 257 ALA CA . 26702 1 34 . 1 1 230 230 ALA CB C 13 18.721 0.500 . 1 . . . . 257 ALA CB . 26702 1 35 . 1 1 230 230 ALA N N 15 123.330 0.120 . 1 . . . . 257 ALA N . 26702 1 36 . 1 1 231 231 ASN H H 1 8.191 0.007 . 1 . . . . 258 ASN H . 26702 1 37 . 1 1 231 231 ASN C C 13 175.737 0.100 . 1 . . . . 258 ASN C . 26702 1 38 . 1 1 231 231 ASN CA C 13 53.890 0.500 . 1 . . . . 258 ASN CA . 26702 1 39 . 1 1 231 231 ASN CB C 13 38.268 0.500 . 1 . . . . 258 ASN CB . 26702 1 40 . 1 1 231 231 ASN N N 15 116.465 0.120 . 1 . . . . 258 ASN N . 26702 1 41 . 1 1 232 232 LEU H H 1 7.994 0.007 . 1 . . . . 259 LEU H . 26702 1 42 . 1 1 232 232 LEU C C 13 177.850 0.100 . 1 . . . . 259 LEU C . 26702 1 43 . 1 1 232 232 LEU CA C 13 56.152 0.500 . 1 . . . . 259 LEU CA . 26702 1 44 . 1 1 232 232 LEU CB C 13 41.811 0.500 . 1 . . . . 259 LEU CB . 26702 1 45 . 1 1 232 232 LEU N N 15 121.474 0.120 . 1 . . . . 259 LEU N . 26702 1 46 . 1 1 233 233 LEU H H 1 7.976 0.007 . 1 . . . . 260 LEU H . 26702 1 47 . 1 1 233 233 LEU C C 13 177.920 0.100 . 1 . . . . 260 LEU C . 26702 1 48 . 1 1 233 233 LEU CA C 13 56.184 0.500 . 1 . . . . 260 LEU CA . 26702 1 49 . 1 1 233 233 LEU CB C 13 41.800 0.500 . 1 . . . . 260 LEU CB . 26702 1 50 . 1 1 233 233 LEU N N 15 120.675 0.120 . 1 . . . . 260 LEU N . 26702 1 51 . 1 1 239 239 GLY C C 13 174.627 0.100 . 1 . . . . 266 GLY C . 26702 1 52 . 1 1 239 239 GLY CA C 13 45.243 0.500 . 1 . . . . 266 GLY CA . 26702 1 53 . 1 1 240 240 GLY H H 1 8.212 0.007 . 1 . . . . 267 GLY H . 26702 1 54 . 1 1 240 240 GLY C C 13 174.554 0.100 . 1 . . . . 267 GLY C . 26702 1 55 . 1 1 240 240 GLY CA C 13 44.998 0.500 . 1 . . . . 267 GLY CA . 26702 1 56 . 1 1 240 240 GLY N N 15 108.289 0.120 . 1 . . . . 267 GLY N . 26702 1 57 . 1 1 241 241 ASN H H 1 8.326 0.007 . 1 . . . . 268 ASN H . 26702 1 58 . 1 1 241 241 ASN C C 13 175.091 0.100 . 1 . . . . 268 ASN C . 26702 1 59 . 1 1 241 241 ASN CA C 13 53.284 0.500 . 1 . . . . 268 ASN CA . 26702 1 60 . 1 1 241 241 ASN CB C 13 38.892 0.500 . 1 . . . . 268 ASN CB . 26702 1 61 . 1 1 241 241 ASN N N 15 118.648 0.120 . 1 . . . . 268 ASN N . 26702 1 62 . 1 1 242 242 ILE H H 1 8.075 0.007 . 1 . . . . 269 ILE H . 26702 1 63 . 1 1 242 242 ILE C C 13 176.260 0.100 . 1 . . . . 269 ILE C . 26702 1 64 . 1 1 242 242 ILE CA C 13 61.157 0.500 . 1 . . . . 269 ILE CA . 26702 1 65 . 1 1 242 242 ILE CB C 13 38.489 0.500 . 1 . . . . 269 ILE CB . 26702 1 66 . 1 1 242 242 ILE N N 15 120.791 0.120 . 1 . . . . 269 ILE N . 26702 1 67 . 1 1 243 243 THR H H 1 8.259 0.007 . 1 . . . . 270 THR H . 26702 1 68 . 1 1 243 243 THR C C 13 174.147 0.100 . 1 . . . . 270 THR C . 26702 1 69 . 1 1 243 243 THR CA C 13 62.018 0.500 . 1 . . . . 270 THR CA . 26702 1 70 . 1 1 243 243 THR CB C 13 69.680 0.500 . 1 . . . . 270 THR CB . 26702 1 71 . 1 1 243 243 THR N N 15 118.836 0.120 . 1 . . . . 270 THR N . 26702 1 72 . 1 1 244 244 ARG H H 1 8.334 0.007 . 1 . . . . 271 ARG H . 26702 1 73 . 1 1 244 244 ARG C C 13 175.959 0.100 . 1 . . . . 271 ARG C . 26702 1 74 . 1 1 244 244 ARG CA C 13 55.929 0.500 . 1 . . . . 271 ARG CA . 26702 1 75 . 1 1 244 244 ARG CB C 13 31.010 0.500 . 1 . . . . 271 ARG CB . 26702 1 76 . 1 1 244 244 ARG N N 15 124.390 0.120 . 1 . . . . 271 ARG N . 26702 1 77 . 1 1 245 245 VAL H H 1 8.246 0.007 . 1 . . . . 272 VAL H . 26702 1 78 . 1 1 245 245 VAL C C 13 176.263 0.100 . 1 . . . . 272 VAL C . 26702 1 79 . 1 1 245 245 VAL CA C 13 62.219 0.500 . 1 . . . . 272 VAL CA . 26702 1 80 . 1 1 245 245 VAL CB C 13 32.548 0.500 . 1 . . . . 272 VAL CB . 26702 1 81 . 1 1 245 245 VAL N N 15 122.287 0.120 . 1 . . . . 272 VAL N . 26702 1 82 . 1 1 246 246 GLU H H 1 8.563 0.007 . 1 . . . . 273 GLU H . 26702 1 83 . 1 1 246 246 GLU C C 13 176.543 0.100 . 1 . . . . 273 GLU C . 26702 1 84 . 1 1 246 246 GLU CA C 13 56.542 0.500 . 1 . . . . 273 GLU CA . 26702 1 85 . 1 1 246 246 GLU CB C 13 30.207 0.500 . 1 . . . . 273 GLU CB . 26702 1 86 . 1 1 246 246 GLU N N 15 124.959 0.120 . 1 . . . . 273 GLU N . 26702 1 87 . 1 1 247 247 SER H H 1 8.308 0.007 . 1 . . . . 274 SER H . 26702 1 88 . 1 1 247 247 SER C C 13 174.590 0.100 . 1 . . . . 274 SER C . 26702 1 89 . 1 1 247 247 SER CA C 13 58.471 0.500 . 1 . . . . 274 SER CA . 26702 1 90 . 1 1 247 247 SER CB C 13 63.701 0.500 . 1 . . . . 274 SER CB . 26702 1 91 . 1 1 247 247 SER N N 15 116.574 0.120 . 1 . . . . 274 SER N . 26702 1 92 . 1 1 248 248 GLU H H 1 8.434 0.007 . 1 . . . . 275 GLU H . 26702 1 93 . 1 1 248 248 GLU C C 13 176.105 0.100 . 1 . . . . 275 GLU C . 26702 1 94 . 1 1 248 248 GLU CA C 13 56.648 0.500 . 1 . . . . 275 GLU CA . 26702 1 95 . 1 1 248 248 GLU CB C 13 29.861 0.500 . 1 . . . . 275 GLU CB . 26702 1 96 . 1 1 248 248 GLU N N 15 122.503 0.120 . 1 . . . . 275 GLU N . 26702 1 97 . 1 1 249 249 ASN H H 1 8.388 0.007 . 1 . . . . 276 ASN H . 26702 1 98 . 1 1 249 249 ASN C C 13 174.829 0.100 . 1 . . . . 276 ASN C . 26702 1 99 . 1 1 249 249 ASN CA C 13 53.125 0.500 . 1 . . . . 276 ASN CA . 26702 1 100 . 1 1 249 249 ASN CB C 13 38.758 0.500 . 1 . . . . 276 ASN CB . 26702 1 101 . 1 1 249 249 ASN N N 15 119.524 0.120 . 1 . . . . 276 ASN N . 26702 1 102 . 1 1 250 250 LYS H H 1 8.184 0.007 . 1 . . . . 277 LYS H . 26702 1 103 . 1 1 250 250 LYS C C 13 176.175 0.100 . 1 . . . . 277 LYS C . 26702 1 104 . 1 1 250 250 LYS CA C 13 55.967 0.500 . 1 . . . . 277 LYS CA . 26702 1 105 . 1 1 250 250 LYS CB C 13 32.820 0.500 . 1 . . . . 277 LYS CB . 26702 1 106 . 1 1 250 250 LYS N N 15 121.989 0.120 . 1 . . . . 277 LYS N . 26702 1 107 . 1 1 251 251 VAL H H 1 8.137 0.007 . 1 . . . . 278 VAL H . 26702 1 108 . 1 1 251 251 VAL C C 13 175.773 0.100 . 1 . . . . 278 VAL C . 26702 1 109 . 1 1 251 251 VAL CA C 13 62.120 0.500 . 1 . . . . 278 VAL CA . 26702 1 110 . 1 1 251 251 VAL CB C 13 32.473 0.500 . 1 . . . . 278 VAL CB . 26702 1 111 . 1 1 251 251 VAL N N 15 122.355 0.120 . 1 . . . . 278 VAL N . 26702 1 112 . 1 1 252 252 VAL H H 1 8.261 0.007 . 1 . . . . 279 VAL H . 26702 1 113 . 1 1 252 252 VAL C C 13 175.521 0.100 . 1 . . . . 279 VAL C . 26702 1 114 . 1 1 252 252 VAL CA C 13 62.031 0.500 . 1 . . . . 279 VAL CA . 26702 1 115 . 1 1 252 252 VAL CB C 13 32.818 0.500 . 1 . . . . 279 VAL CB . 26702 1 116 . 1 1 252 252 VAL N N 15 125.742 0.120 . 1 . . . . 279 VAL N . 26702 1 117 . 1 1 253 253 ILE H H 1 8.324 0.007 . 1 . . . . 280 ILE H . 26702 1 118 . 1 1 253 253 ILE C C 13 175.937 0.100 . 1 . . . . 280 ILE C . 26702 1 119 . 1 1 253 253 ILE CA C 13 60.455 0.500 . 1 . . . . 280 ILE CA . 26702 1 120 . 1 1 253 253 ILE CB C 13 38.109 0.500 . 1 . . . . 280 ILE CB . 26702 1 121 . 1 1 253 253 ILE N N 15 126.564 0.120 . 1 . . . . 280 ILE N . 26702 1 122 . 1 1 254 254 LEU H H 1 8.369 0.007 . 1 . . . . 281 LEU H . 26702 1 123 . 1 1 254 254 LEU C C 13 176.806 0.100 . 1 . . . . 281 LEU C . 26702 1 124 . 1 1 254 254 LEU CA C 13 54.857 0.500 . 1 . . . . 281 LEU CA . 26702 1 125 . 1 1 254 254 LEU CB C 13 42.281 0.500 . 1 . . . . 281 LEU CB . 26702 1 126 . 1 1 254 254 LEU N N 15 127.473 0.120 . 1 . . . . 281 LEU N . 26702 1 127 . 1 1 255 255 ASP H H 1 8.271 0.007 . 1 . . . . 282 ASP H . 26702 1 128 . 1 1 255 255 ASP C C 13 175.932 0.100 . 1 . . . . 282 ASP C . 26702 1 129 . 1 1 255 255 ASP CA C 13 54.022 0.500 . 1 . . . . 282 ASP CA . 26702 1 130 . 1 1 255 255 ASP CB C 13 41.007 0.500 . 1 . . . . 282 ASP CB . 26702 1 131 . 1 1 255 255 ASP N N 15 121.398 0.120 . 1 . . . . 282 ASP N . 26702 1 132 . 1 1 256 256 SER H H 1 8.064 0.007 . 1 . . . . 283 SER H . 26702 1 133 . 1 1 256 256 SER C C 13 173.956 0.100 . 1 . . . . 283 SER C . 26702 1 134 . 1 1 256 256 SER CA C 13 58.086 0.500 . 1 . . . . 283 SER CA . 26702 1 135 . 1 1 256 256 SER CB C 13 63.704 0.500 . 1 . . . . 283 SER CB . 26702 1 136 . 1 1 256 256 SER N N 15 115.293 0.120 . 1 . . . . 283 SER N . 26702 1 137 . 1 1 257 257 PHE H H 1 8.219 0.007 . 1 . . . . 284 PHE H . 26702 1 138 . 1 1 257 257 PHE C C 13 175.146 0.100 . 1 . . . . 284 PHE C . 26702 1 139 . 1 1 257 257 PHE CA C 13 57.434 0.500 . 1 . . . . 284 PHE CA . 26702 1 140 . 1 1 257 257 PHE CB C 13 39.383 0.500 . 1 . . . . 284 PHE CB . 26702 1 141 . 1 1 257 257 PHE N N 15 122.096 0.120 . 1 . . . . 284 PHE N . 26702 1 142 . 1 1 258 258 GLU H H 1 8.144 0.007 . 1 . . . . 285 GLU H . 26702 1 143 . 1 1 258 258 GLU C C 13 173.902 0.100 . 1 . . . . 285 GLU C . 26702 1 144 . 1 1 258 258 GLU CA C 13 53.819 0.500 . 1 . . . . 285 GLU CA . 26702 1 145 . 1 1 258 258 GLU CB C 13 29.798 0.500 . 1 . . . . 285 GLU CB . 26702 1 146 . 1 1 258 258 GLU N N 15 124.320 0.120 . 1 . . . . 285 GLU N . 26702 1 147 . 1 1 259 259 PRO C C 13 176.806 0.100 . 1 . . . . 286 PRO C . 26702 1 148 . 1 1 259 259 PRO CA C 13 62.919 0.500 . 1 . . . . 286 PRO CA . 26702 1 149 . 1 1 259 259 PRO CB C 13 31.916 0.500 . 1 . . . . 286 PRO CB . 26702 1 150 . 1 1 260 260 LEU H H 1 8.324 0.007 . 1 . . . . 287 LEU H . 26702 1 151 . 1 1 260 260 LEU C C 13 177.383 0.100 . 1 . . . . 287 LEU C . 26702 1 152 . 1 1 260 260 LEU CA C 13 55.124 0.500 . 1 . . . . 287 LEU CA . 26702 1 153 . 1 1 260 260 LEU CB C 13 42.214 0.500 . 1 . . . . 287 LEU CB . 26702 1 154 . 1 1 260 260 LEU N N 15 122.215 0.120 . 1 . . . . 287 LEU N . 26702 1 155 . 1 1 261 261 GLN H H 1 8.336 0.007 . 1 . . . . 288 GLN H . 26702 1 156 . 1 1 261 261 GLN C C 13 175.407 0.100 . 1 . . . . 288 GLN C . 26702 1 157 . 1 1 261 261 GLN CA C 13 55.323 0.500 . 1 . . . . 288 GLN CA . 26702 1 158 . 1 1 261 261 GLN CB C 13 29.369 0.500 . 1 . . . . 288 GLN CB . 26702 1 159 . 1 1 261 261 GLN N N 15 121.579 0.120 . 1 . . . . 288 GLN N . 26702 1 160 . 1 1 262 262 ALA H H 1 8.357 0.007 . 1 . . . . 289 ALA H . 26702 1 161 . 1 1 262 262 ALA C C 13 177.666 0.100 . 1 . . . . 289 ALA C . 26702 1 162 . 1 1 262 262 ALA CA C 13 52.485 0.500 . 1 . . . . 289 ALA CA . 26702 1 163 . 1 1 262 262 ALA CB C 13 19.238 0.500 . 1 . . . . 289 ALA CB . 26702 1 164 . 1 1 262 262 ALA N N 15 125.810 0.120 . 1 . . . . 289 ALA N . 26702 1 165 . 1 1 263 263 GLU H H 1 8.436 0.007 . 1 . . . . 290 GLU H . 26702 1 166 . 1 1 263 263 GLU C C 13 176.689 0.100 . 1 . . . . 290 GLU C . 26702 1 167 . 1 1 263 263 GLU CA C 13 56.481 0.500 . 1 . . . . 290 GLU CA . 26702 1 168 . 1 1 263 263 GLU CB C 13 30.171 0.500 . 1 . . . . 290 GLU CB . 26702 1 169 . 1 1 263 263 GLU N N 15 120.460 0.120 . 1 . . . . 290 GLU N . 26702 1 170 . 1 1 264 264 GLU H H 1 8.439 0.007 . 1 . . . . 291 GLU H . 26702 1 171 . 1 1 264 264 GLU C C 13 176.184 0.100 . 1 . . . . 291 GLU C . 26702 1 172 . 1 1 264 264 GLU CA C 13 56.604 0.500 . 1 . . . . 291 GLU CA . 26702 1 173 . 1 1 264 264 GLU CB C 13 30.125 0.500 . 1 . . . . 291 GLU CB . 26702 1 174 . 1 1 264 264 GLU N N 15 121.472 0.120 . 1 . . . . 291 GLU N . 26702 1 175 . 1 1 265 265 ASP H H 1 8.334 0.007 . 1 . . . . 292 ASP H . 26702 1 176 . 1 1 265 265 ASP C C 13 176.330 0.100 . 1 . . . . 292 ASP C . 26702 1 177 . 1 1 265 265 ASP CA C 13 54.335 0.500 . 1 . . . . 292 ASP CA . 26702 1 178 . 1 1 265 265 ASP CB C 13 41.023 0.500 . 1 . . . . 292 ASP CB . 26702 1 179 . 1 1 265 265 ASP N N 15 121.450 0.120 . 1 . . . . 292 ASP N . 26702 1 180 . 1 1 266 266 GLU H H 1 8.370 0.007 . 1 . . . . 293 GLU H . 26702 1 181 . 1 1 266 266 GLU C C 13 176.481 0.100 . 1 . . . . 293 GLU C . 26702 1 182 . 1 1 266 266 GLU CA C 13 56.740 0.500 . 1 . . . . 293 GLU CA . 26702 1 183 . 1 1 266 266 GLU CB C 13 29.926 0.500 . 1 . . . . 293 GLU CB . 26702 1 184 . 1 1 266 266 GLU N N 15 121.730 0.120 . 1 . . . . 293 GLU N . 26702 1 185 . 1 1 267 267 ARG H H 1 8.236 0.007 . 1 . . . . 294 ARG H . 26702 1 186 . 1 1 267 267 ARG C C 13 176.361 0.100 . 1 . . . . 294 ARG C . 26702 1 187 . 1 1 267 267 ARG CA C 13 56.083 0.500 . 1 . . . . 294 ARG CA . 26702 1 188 . 1 1 267 267 ARG CB C 13 30.611 0.500 . 1 . . . . 294 ARG CB . 26702 1 189 . 1 1 267 267 ARG N N 15 121.511 0.120 . 1 . . . . 294 ARG N . 26702 1 190 . 1 1 268 268 GLU H H 1 8.352 0.007 . 1 . . . . 295 GLU H . 26702 1 191 . 1 1 268 268 GLU C C 13 176.433 0.100 . 1 . . . . 295 GLU C . 26702 1 192 . 1 1 268 268 GLU CA C 13 56.354 0.500 . 1 . . . . 295 GLU CA . 26702 1 193 . 1 1 268 268 GLU CB C 13 30.116 0.500 . 1 . . . . 295 GLU CB . 26702 1 194 . 1 1 268 268 GLU N N 15 121.481 0.120 . 1 . . . . 295 GLU N . 26702 1 195 . 1 1 272 272 PRO C C 13 176.676 0.100 . 1 . . . . 299 PRO C . 26702 1 196 . 1 1 272 272 PRO CA C 13 62.840 0.500 . 1 . . . . 299 PRO CA . 26702 1 197 . 1 1 272 272 PRO CB C 13 31.826 0.500 . 1 . . . . 299 PRO CB . 26702 1 198 . 1 1 273 273 ALA H H 1 8.319 0.007 . 1 . . . . 300 ALA H . 26702 1 199 . 1 1 273 273 ALA C C 13 177.676 0.100 . 1 . . . . 300 ALA C . 26702 1 200 . 1 1 273 273 ALA CA C 13 52.475 0.500 . 1 . . . . 300 ALA CA . 26702 1 201 . 1 1 273 273 ALA CB C 13 19.168 0.500 . 1 . . . . 300 ALA CB . 26702 1 202 . 1 1 273 273 ALA N N 15 124.155 0.120 . 1 . . . . 300 ALA N . 26702 1 203 . 1 1 274 274 GLU H H 1 8.482 0.007 . 1 . . . . 301 GLU H . 26702 1 204 . 1 1 274 274 GLU C C 13 177.424 0.100 . 1 . . . . 301 GLU C . 26702 1 205 . 1 1 274 274 GLU CA C 13 57.614 0.500 . 1 . . . . 301 GLU CA . 26702 1 206 . 1 1 274 274 GLU CB C 13 29.397 0.500 . 1 . . . . 301 GLU CB . 26702 1 207 . 1 1 274 274 GLU N N 15 118.540 0.120 . 1 . . . . 301 GLU N . 26702 1 208 . 1 1 302 302 TRP H H 1 7.797 0.007 . 1 . . . . 329 TRP H . 26702 1 209 . 1 1 302 302 TRP C C 13 175.707 0.100 . 1 . . . . 329 TRP C . 26702 1 210 . 1 1 302 302 TRP CA C 13 57.446 0.500 . 1 . . . . 329 TRP CA . 26702 1 211 . 1 1 302 302 TRP CB C 13 28.913 0.500 . 1 . . . . 329 TRP CB . 26702 1 212 . 1 1 302 302 TRP N N 15 121.692 0.120 . 1 . . . . 329 TRP N . 26702 1 213 . 1 1 303 303 LYS H H 1 7.527 0.007 . 1 . . . . 330 LYS H . 26702 1 214 . 1 1 303 303 LYS C C 13 175.379 0.100 . 1 . . . . 330 LYS C . 26702 1 215 . 1 1 303 303 LYS CA C 13 55.619 0.500 . 1 . . . . 330 LYS CA . 26702 1 216 . 1 1 303 303 LYS CB C 13 33.694 0.500 . 1 . . . . 330 LYS CB . 26702 1 217 . 1 1 303 303 LYS N N 15 122.414 0.120 . 1 . . . . 330 LYS N . 26702 1 218 . 1 1 305 305 PRO C C 13 176.839 0.100 . 1 . . . . 332 PRO C . 26702 1 219 . 1 1 305 305 PRO CA C 13 63.691 0.500 . 1 . . . . 332 PRO CA . 26702 1 220 . 1 1 305 305 PRO CB C 13 31.800 0.500 . 1 . . . . 332 PRO CB . 26702 1 221 . 1 1 306 306 ASP H H 1 8.344 0.007 . 1 . . . . 333 ASP H . 26702 1 222 . 1 1 306 306 ASP C C 13 175.687 0.100 . 1 . . . . 333 ASP C . 26702 1 223 . 1 1 306 306 ASP CA C 13 54.097 0.500 . 1 . . . . 333 ASP CA . 26702 1 224 . 1 1 306 306 ASP CB C 13 40.891 0.500 . 1 . . . . 333 ASP CB . 26702 1 225 . 1 1 306 306 ASP N N 15 118.331 0.120 . 1 . . . . 333 ASP N . 26702 1 226 . 1 1 307 307 TYR H H 1 7.710 0.007 . 1 . . . . 334 TYR H . 26702 1 227 . 1 1 307 307 TYR C C 13 174.772 0.100 . 1 . . . . 334 TYR C . 26702 1 228 . 1 1 307 307 TYR CA C 13 58.602 0.500 . 1 . . . . 334 TYR CA . 26702 1 229 . 1 1 307 307 TYR CB C 13 38.787 0.500 . 1 . . . . 334 TYR CB . 26702 1 230 . 1 1 307 307 TYR N N 15 121.219 0.120 . 1 . . . . 334 TYR N . 26702 1 231 . 1 1 308 308 VAL H H 1 7.656 0.007 . 1 . . . . 335 VAL H . 26702 1 232 . 1 1 308 308 VAL C C 13 172.700 0.100 . 1 . . . . 335 VAL C . 26702 1 233 . 1 1 308 308 VAL CA C 13 58.783 0.500 . 1 . . . . 335 VAL CA . 26702 1 234 . 1 1 308 308 VAL CB C 13 33.242 0.500 . 1 . . . . 335 VAL CB . 26702 1 235 . 1 1 308 308 VAL N N 15 128.301 0.120 . 1 . . . . 335 VAL N . 26702 1 236 . 1 1 356 356 SER C C 13 174.676 0.100 . 1 . . . . 383 SER C . 26702 1 237 . 1 1 356 356 SER CA C 13 58.393 0.500 . 1 . . . . 383 SER CA . 26702 1 238 . 1 1 356 356 SER CB C 13 63.705 0.500 . 1 . . . . 383 SER CB . 26702 1 239 . 1 1 357 357 GLU H H 1 8.477 0.007 . 1 . . . . 384 GLU H . 26702 1 240 . 1 1 357 357 GLU C C 13 176.664 0.100 . 1 . . . . 384 GLU C . 26702 1 241 . 1 1 357 357 GLU CA C 13 56.638 0.500 . 1 . . . . 384 GLU CA . 26702 1 242 . 1 1 357 357 GLU CB C 13 30.114 0.500 . 1 . . . . 384 GLU CB . 26702 1 243 . 1 1 357 357 GLU N N 15 122.748 0.120 . 1 . . . . 384 GLU N . 26702 1 244 . 1 1 358 358 SER H H 1 8.341 0.007 . 1 . . . . 385 SER H . 26702 1 245 . 1 1 358 358 SER C C 13 174.642 0.100 . 1 . . . . 385 SER C . 26702 1 246 . 1 1 358 358 SER CA C 13 58.524 0.500 . 1 . . . . 385 SER CA . 26702 1 247 . 1 1 358 358 SER CB C 13 63.660 0.500 . 1 . . . . 385 SER CB . 26702 1 248 . 1 1 358 358 SER N N 15 116.780 0.120 . 1 . . . . 385 SER N . 26702 1 249 . 1 1 359 359 SER H H 1 8.322 0.007 . 1 . . . . 386 SER H . 26702 1 250 . 1 1 359 359 SER C C 13 174.205 0.100 . 1 . . . . 386 SER C . 26702 1 251 . 1 1 359 359 SER CA C 13 58.225 0.500 . 1 . . . . 386 SER CA . 26702 1 252 . 1 1 359 359 SER CB C 13 63.683 0.500 . 1 . . . . 386 SER CB . 26702 1 253 . 1 1 359 359 SER N N 15 117.977 0.120 . 1 . . . . 386 SER N . 26702 1 254 . 1 1 360 360 ALA H H 1 8.273 0.007 . 1 . . . . 387 ALA H . 26702 1 255 . 1 1 360 360 ALA C C 13 177.757 0.100 . 1 . . . . 387 ALA C . 26702 1 256 . 1 1 360 360 ALA CA C 13 52.508 0.500 . 1 . . . . 387 ALA CA . 26702 1 257 . 1 1 360 360 ALA CB C 13 19.045 0.500 . 1 . . . . 387 ALA CB . 26702 1 258 . 1 1 360 360 ALA N N 15 126.152 0.120 . 1 . . . . 387 ALA N . 26702 1 259 . 1 1 361 361 VAL H H 1 8.046 0.007 . 1 . . . . 388 VAL H . 26702 1 260 . 1 1 361 361 VAL C C 13 175.996 0.100 . 1 . . . . 388 VAL C . 26702 1 261 . 1 1 361 361 VAL CA C 13 62.396 0.500 . 1 . . . . 388 VAL CA . 26702 1 262 . 1 1 361 361 VAL CB C 13 32.662 0.500 . 1 . . . . 388 VAL CB . 26702 1 263 . 1 1 361 361 VAL N N 15 118.905 0.120 . 1 . . . . 388 VAL N . 26702 1 264 . 1 1 362 362 ASP H H 1 8.357 0.007 . 1 . . . . 389 ASP H . 26702 1 265 . 1 1 362 362 ASP C C 13 176.407 0.100 . 1 . . . . 389 ASP C . 26702 1 266 . 1 1 362 362 ASP CA C 13 54.043 0.500 . 1 . . . . 389 ASP CA . 26702 1 267 . 1 1 362 362 ASP CB C 13 41.122 0.500 . 1 . . . . 389 ASP CB . 26702 1 268 . 1 1 362 362 ASP N N 15 123.902 0.120 . 1 . . . . 389 ASP N . 26702 1 269 . 1 1 363 363 SER H H 1 8.337 0.007 . 1 . . . . 390 SER H . 26702 1 270 . 1 1 363 363 SER C C 13 175.328 0.100 . 1 . . . . 390 SER C . 26702 1 271 . 1 1 363 363 SER CA C 13 58.821 0.500 . 1 . . . . 390 SER CA . 26702 1 272 . 1 1 363 363 SER CB C 13 63.559 0.500 . 1 . . . . 390 SER CB . 26702 1 273 . 1 1 363 363 SER N N 15 117.234 0.120 . 1 . . . . 390 SER N . 26702 1 274 . 1 1 364 364 GLY H H 1 8.512 0.007 . 1 . . . . 391 GLY H . 26702 1 275 . 1 1 364 364 GLY C C 13 174.458 0.100 . 1 . . . . 391 GLY C . 26702 1 276 . 1 1 364 364 GLY CA C 13 45.316 0.500 . 1 . . . . 391 GLY CA . 26702 1 277 . 1 1 364 364 GLY N N 15 110.884 0.500 . 1 . . . . 391 GLY N . 26702 1 278 . 1 1 365 365 THR H H 1 7.993 0.120 . 1 . . . . 392 THR H . 26702 1 279 . 1 1 365 365 THR C C 13 174.380 0.007 . 1 . . . . 392 THR C . 26702 1 280 . 1 1 365 365 THR CA C 13 61.888 0.100 . 1 . . . . 392 THR CA . 26702 1 281 . 1 1 365 365 THR CB C 13 69.709 0.500 . 1 . . . . 392 THR CB . 26702 1 282 . 1 1 365 365 THR N N 15 113.754 0.500 . 1 . . . . 392 THR N . 26702 1 283 . 1 1 366 366 ALA H H 1 8.333 0.120 . 1 . . . . 393 ALA H . 26702 1 284 . 1 1 366 366 ALA C C 13 177.782 0.007 . 1 . . . . 393 ALA C . 26702 1 285 . 1 1 366 366 ALA CA C 13 52.513 0.100 . 1 . . . . 393 ALA CA . 26702 1 286 . 1 1 366 366 ALA CB C 13 19.057 0.500 . 1 . . . . 393 ALA CB . 26702 1 287 . 1 1 366 366 ALA N N 15 126.802 0.500 . 1 . . . . 393 ALA N . 26702 1 288 . 1 1 367 367 THR H H 1 8.099 0.120 . 1 . . . . 394 THR H . 26702 1 289 . 1 1 367 367 THR C C 13 174.073 0.007 . 1 . . . . 394 THR C . 26702 1 290 . 1 1 367 367 THR CA C 13 61.504 0.100 . 1 . . . . 394 THR CA . 26702 1 291 . 1 1 367 367 THR CB C 13 69.672 0.500 . 1 . . . . 394 THR CB . 26702 1 292 . 1 1 367 367 THR N N 15 113.829 0.500 . 1 . . . . 394 THR N . 26702 1 293 . 1 1 368 368 ALA H H 1 8.268 0.120 . 1 . . . . 395 ALA H . 26702 1 294 . 1 1 368 368 ALA C C 13 177.352 0.007 . 1 . . . . 395 ALA C . 26702 1 295 . 1 1 368 368 ALA CA C 13 52.117 0.100 . 1 . . . . 395 ALA CA . 26702 1 296 . 1 1 368 368 ALA CB C 13 19.282 0.500 . 1 . . . . 395 ALA CB . 26702 1 297 . 1 1 368 368 ALA N N 15 126.878 0.500 . 1 . . . . 395 ALA N . 26702 1 298 . 1 1 369 369 SER H H 1 8.375 0.120 . 1 . . . . 396 SER H . 26702 1 299 . 1 1 369 369 SER C C 13 173.050 0.007 . 1 . . . . 396 SER C . 26702 1 300 . 1 1 369 369 SER CA C 13 56.157 0.100 . 1 . . . . 396 SER CA . 26702 1 301 . 1 1 369 369 SER CB C 13 63.298 0.500 . 1 . . . . 396 SER CB . 26702 1 302 . 1 1 369 369 SER N N 15 117.061 0.500 . 1 . . . . 396 SER N . 26702 1 303 . 1 1 370 370 PRO C C 13 176.541 0.100 . 1 . . . . 397 PRO C . 26702 1 304 . 1 1 370 370 PRO CA C 13 63.266 0.500 . 1 . . . . 397 PRO CA . 26702 1 305 . 1 1 370 370 PRO CB C 13 31.878 0.500 . 1 . . . . 397 PRO CB . 26702 1 306 . 1 1 371 371 ASP H H 1 8.291 0.007 . 1 . . . . 398 ASP H . 26702 1 307 . 1 1 371 371 ASP C C 13 175.722 0.100 . 1 . . . . 398 ASP C . 26702 1 308 . 1 1 371 371 ASP CA C 13 54.279 0.500 . 1 . . . . 398 ASP CA . 26702 1 309 . 1 1 371 371 ASP CB C 13 40.937 0.500 . 1 . . . . 398 ASP CB . 26702 1 310 . 1 1 371 371 ASP N N 15 119.910 0.120 . 1 . . . . 398 ASP N . 26702 1 311 . 1 1 372 372 GLN H H 1 8.123 0.007 . 1 . . . . 399 GLN H . 26702 1 312 . 1 1 372 372 GLN C C 13 173.756 0.100 . 1 . . . . 399 GLN C . 26702 1 313 . 1 1 372 372 GLN CA C 13 53.398 0.500 . 1 . . . . 399 GLN CA . 26702 1 314 . 1 1 372 372 GLN CB C 13 28.944 0.500 . 1 . . . . 399 GLN CB . 26702 1 315 . 1 1 372 372 GLN N N 15 121.072 0.120 . 1 . . . . 399 GLN N . 26702 1 316 . 1 1 373 373 PRO C C 13 176.898 0.100 . 1 . . . . 400 PRO C . 26702 1 317 . 1 1 373 373 PRO CA C 13 62.758 0.500 . 1 . . . . 400 PRO CA . 26702 1 318 . 1 1 373 373 PRO CB C 13 31.932 0.500 . 1 . . . . 400 PRO CB . 26702 1 319 . 1 1 374 374 SER H H 1 8.475 0.007 . 1 . . . . 401 SER H . 26702 1 320 . 1 1 374 374 SER C C 13 174.316 0.100 . 1 . . . . 401 SER C . 26702 1 321 . 1 1 374 374 SER CA C 13 58.077 0.500 . 1 . . . . 401 SER CA . 26702 1 322 . 1 1 374 374 SER CB C 13 63.885 0.500 . 1 . . . . 401 SER CB . 26702 1 323 . 1 1 374 374 SER N N 15 116.487 0.120 . 1 . . . . 401 SER N . 26702 1 324 . 1 1 375 375 ASP H H 1 8.418 0.007 . 1 . . . . 402 ASP H . 26702 1 325 . 1 1 375 375 ASP C C 13 175.954 0.100 . 1 . . . . 402 ASP C . 26702 1 326 . 1 1 375 375 ASP CA C 13 54.239 0.500 . 1 . . . . 402 ASP CA . 26702 1 327 . 1 1 375 375 ASP CB C 13 41.336 0.500 . 1 . . . . 402 ASP CB . 26702 1 328 . 1 1 375 375 ASP N N 15 122.841 0.120 . 1 . . . . 402 ASP N . 26702 1 329 . 1 1 376 376 ASP H H 1 8.305 0.007 . 1 . . . . 403 ASP H . 26702 1 330 . 1 1 376 376 ASP C C 13 176.881 0.100 . 1 . . . . 403 ASP C . 26702 1 331 . 1 1 376 376 ASP CA C 13 54.714 0.500 . 1 . . . . 403 ASP CA . 26702 1 332 . 1 1 376 376 ASP CB C 13 40.933 0.500 . 1 . . . . 403 ASP CB . 26702 1 333 . 1 1 376 376 ASP N N 15 121.012 0.120 . 1 . . . . 403 ASP N . 26702 1 334 . 1 1 377 377 GLY H H 1 8.353 0.007 . 1 . . . . 404 GLY H . 26702 1 335 . 1 1 377 377 GLY C C 13 173.989 0.100 . 1 . . . . 404 GLY C . 26702 1 336 . 1 1 377 377 GLY CA C 13 45.226 0.500 . 1 . . . . 404 GLY CA . 26702 1 337 . 1 1 377 377 GLY N N 15 109.193 0.120 . 1 . . . . 404 GLY N . 26702 1 338 . 1 1 378 378 ASP H H 1 8.211 0.007 . 1 . . . . 405 ASP H . 26702 1 339 . 1 1 378 378 ASP C C 13 175.987 0.100 . 1 . . . . 405 ASP C . 26702 1 340 . 1 1 378 378 ASP CA C 13 54.014 0.500 . 1 . . . . 405 ASP CA . 26702 1 341 . 1 1 378 378 ASP CB C 13 41.369 0.500 . 1 . . . . 405 ASP CB . 26702 1 342 . 1 1 378 378 ASP N N 15 120.591 0.120 . 1 . . . . 405 ASP N . 26702 1 343 . 1 1 379 379 ALA H H 1 8.280 0.007 . 1 . . . . 406 ALA H . 26702 1 344 . 1 1 379 379 ALA C C 13 178.120 0.100 . 1 . . . . 406 ALA C . 26702 1 345 . 1 1 379 379 ALA CA C 13 52.542 0.500 . 1 . . . . 406 ALA CA . 26702 1 346 . 1 1 379 379 ALA CB C 13 19.265 0.500 . 1 . . . . 406 ALA CB . 26702 1 347 . 1 1 379 379 ALA N N 15 124.851 0.120 . 1 . . . . 406 ALA N . 26702 1 348 . 1 1 380 380 GLY H H 1 8.320 0.007 . 1 . . . . 407 GLY H . 26702 1 349 . 1 1 380 380 GLY C C 13 174.224 0.100 . 1 . . . . 407 GLY C . 26702 1 350 . 1 1 380 380 GLY CA C 13 44.911 0.500 . 1 . . . . 407 GLY CA . 26702 1 351 . 1 1 380 380 GLY N N 15 108.274 0.120 . 1 . . . . 407 GLY N . 26702 1 352 . 1 1 381 381 SEP H H 1 8.798 0.007 . 1 . . . . 408 SEP H . 26702 1 353 . 1 1 381 381 SEP C C 13 174.141 0.100 . 1 . . . . 408 SEP C . 26702 1 354 . 1 1 381 381 SEP CA C 13 57.690 0.500 . 1 . . . . 408 SEP CA . 26702 1 355 . 1 1 381 381 SEP CB C 13 65.848 0.500 . 1 . . . . 408 SEP CB . 26702 1 356 . 1 1 381 381 SEP N N 15 117.002 0.120 . 1 . . . . 408 SEP N . 26702 1 357 . 1 1 382 382 ASP H H 1 8.515 0.007 . 1 . . . . 409 ASP H . 26702 1 358 . 1 1 382 382 ASP C C 13 175.896 0.100 . 1 . . . . 409 ASP C . 26702 1 359 . 1 1 382 382 ASP CA C 13 54.248 0.500 . 1 . . . . 409 ASP CA . 26702 1 360 . 1 1 382 382 ASP CB C 13 40.927 0.500 . 1 . . . . 409 ASP CB . 26702 1 361 . 1 1 382 382 ASP N N 15 122.553 0.120 . 1 . . . . 409 ASP N . 26702 1 362 . 1 1 383 383 VAL H H 1 8.029 0.007 . 1 . . . . 410 VAL H . 26702 1 363 . 1 1 383 383 VAL C C 13 176.018 0.100 . 1 . . . . 410 VAL C . 26702 1 364 . 1 1 383 383 VAL CA C 13 61.827 0.500 . 1 . . . . 410 VAL CA . 26702 1 365 . 1 1 383 383 VAL CB C 13 32.780 0.500 . 1 . . . . 410 VAL CB . 26702 1 366 . 1 1 383 383 VAL N N 15 120.100 0.120 . 1 . . . . 410 VAL N . 26702 1 367 . 1 1 384 384 GLU H H 1 8.404 0.007 . 1 . . . . 411 GLU H . 26702 1 368 . 1 1 384 384 GLU C C 13 176.092 0.100 . 1 . . . . 411 GLU C . 26702 1 369 . 1 1 384 384 GLU CA C 13 56.084 0.500 . 1 . . . . 411 GLU CA . 26702 1 370 . 1 1 384 384 GLU CB C 13 30.506 0.500 . 1 . . . . 411 GLU CB . 26702 1 371 . 1 1 384 384 GLU N N 15 125.191 0.120 . 1 . . . . 411 GLU N . 26702 1 372 . 1 1 385 385 SEP H H 1 8.696 0.007 . 1 . . . . 412 SEP H . 26702 1 373 . 1 1 385 385 SEP C C 13 173.919 0.100 . 1 . . . . 412 SEP C . 26702 1 374 . 1 1 385 385 SEP CA C 13 57.270 0.500 . 1 . . . . 412 SEP CA . 26702 1 375 . 1 1 385 385 SEP CB C 13 65.883 0.500 . 1 . . . . 412 SEP CB . 26702 1 376 . 1 1 385 385 SEP N N 15 118.315 0.120 . 1 . . . . 412 SEP N . 26702 1 377 . 1 1 386 386 TYR H H 1 8.448 0.007 . 1 . . . . 413 TYR H . 26702 1 378 . 1 1 386 386 TYR C C 13 175.495 0.100 . 1 . . . . 413 TYR C . 26702 1 379 . 1 1 386 386 TYR CA C 13 58.181 0.500 . 1 . . . . 413 TYR CA . 26702 1 380 . 1 1 386 386 TYR CB C 13 38.808 0.500 . 1 . . . . 413 TYR CB . 26702 1 381 . 1 1 386 386 TYR N N 15 123.226 0.120 . 1 . . . . 413 TYR N . 26702 1 382 . 1 1 387 387 SER H H 1 7.950 0.007 . 1 . . . . 414 SER H . 26702 1 383 . 1 1 387 387 SER C C 13 173.919 0.100 . 1 . . . . 414 SER C . 26702 1 384 . 1 1 387 387 SER CA C 13 57.938 0.500 . 1 . . . . 414 SER CA . 26702 1 385 . 1 1 387 387 SER CB C 13 64.117 0.500 . 1 . . . . 414 SER CB . 26702 1 386 . 1 1 387 387 SER N N 15 118.912 0.120 . 1 . . . . 414 SER N . 26702 1 387 . 1 1 388 388 SEP H H 1 8.762 0.007 . 1 . . . . 415 SEP H . 26702 1 388 . 1 1 388 388 SEP C C 13 174.012 0.100 . 1 . . . . 415 SEP C . 26702 1 389 . 1 1 388 388 SEP CA C 13 57.479 0.500 . 1 . . . . 415 SEP CA . 26702 1 390 . 1 1 388 388 SEP CB C 13 65.745 0.500 . 1 . . . . 415 SEP CB . 26702 1 391 . 1 1 388 388 SEP N N 15 119.499 0.120 . 1 . . . . 415 SEP N . 26702 1 392 . 1 1 389 389 MET H H 1 8.357 0.007 . 1 . . . . 416 MET H . 26702 1 393 . 1 1 389 389 MET C C 13 173.681 0.100 . 1 . . . . 416 MET C . 26702 1 394 . 1 1 389 389 MET CA C 13 53.800 0.500 . 1 . . . . 416 MET CA . 26702 1 395 . 1 1 389 389 MET CB C 13 32.371 0.500 . 1 . . . . 416 MET CB . 26702 1 396 . 1 1 389 389 MET N N 15 123.667 0.120 . 1 . . . . 416 MET N . 26702 1 397 . 1 1 391 391 PRO C C 13 176.883 0.100 . 1 . . . . 418 PRO C . 26702 1 398 . 1 1 391 391 PRO CA C 13 62.404 0.500 . 1 . . . . 418 PRO CA . 26702 1 399 . 1 1 391 391 PRO CB C 13 31.770 0.500 . 1 . . . . 418 PRO CB . 26702 1 400 . 1 1 392 392 LEU H H 1 8.319 0.007 . 1 . . . . 419 LEU H . 26702 1 401 . 1 1 392 392 LEU C C 13 177.455 0.100 . 1 . . . . 419 LEU C . 26702 1 402 . 1 1 392 392 LEU CA C 13 55.096 0.500 . 1 . . . . 419 LEU CA . 26702 1 403 . 1 1 392 392 LEU CB C 13 42.234 0.500 . 1 . . . . 419 LEU CB . 26702 1 404 . 1 1 392 392 LEU N N 15 122.858 0.120 . 1 . . . . 419 LEU N . 26702 1 405 . 1 1 393 393 GLU H H 1 8.411 0.007 . 1 . . . . 420 GLU H . 26702 1 406 . 1 1 393 393 GLU C C 13 176.641 0.100 . 1 . . . . 420 GLU C . 26702 1 407 . 1 1 393 393 GLU CA C 13 56.333 0.500 . 1 . . . . 420 GLU CA . 26702 1 408 . 1 1 393 393 GLU CB C 13 30.174 0.500 . 1 . . . . 420 GLU CB . 26702 1 409 . 1 1 393 393 GLU N N 15 122.104 0.120 . 1 . . . . 420 GLU N . 26702 1 410 . 1 1 394 394 GLY H H 1 8.313 0.007 . 1 . . . . 421 GLY H . 26702 1 411 . 1 1 394 394 GLY C C 13 173.522 0.100 . 1 . . . . 421 GLY C . 26702 1 412 . 1 1 394 394 GLY CA C 13 44.800 0.500 . 1 . . . . 421 GLY CA . 26702 1 413 . 1 1 394 394 GLY N N 15 110.065 0.500 . 1 . . . . 421 GLY N . 26702 1 414 . 1 1 395 395 GLU H H 1 8.274 0.120 . 1 . . . . 422 GLU H . 26702 1 415 . 1 1 395 395 GLU C C 13 174.850 0.007 . 1 . . . . 422 GLU C . 26702 1 416 . 1 1 395 395 GLU CA C 13 54.057 0.100 . 1 . . . . 422 GLU CA . 26702 1 417 . 1 1 395 395 GLU CB C 13 29.662 0.500 . 1 . . . . 422 GLU CB . 26702 1 418 . 1 1 395 395 GLU N N 15 121.645 0.500 . 1 . . . . 422 GLU N . 26702 1 419 . 1 1 396 396 PRO C C 13 177.428 0.120 . 1 . . . . 423 PRO C . 26702 1 420 . 1 1 396 396 PRO CA C 13 63.300 0.500 . 1 . . . . 423 PRO CA . 26702 1 421 . 1 1 396 396 PRO CB C 13 31.896 0.500 . 1 . . . . 423 PRO CB . 26702 1 422 . 1 1 397 397 GLY H H 1 8.371 0.007 . 1 . . . . 424 GLY H . 26702 1 423 . 1 1 397 397 GLY C C 13 173.438 0.100 . 1 . . . . 424 GLY C . 26702 1 424 . 1 1 397 397 GLY CA C 13 44.694 0.500 . 1 . . . . 424 GLY CA . 26702 1 425 . 1 1 397 397 GLY N N 15 109.080 0.120 . 1 . . . . 424 GLY N . 26702 1 426 . 1 1 398 398 ASP H H 1 8.181 0.007 . 1 . . . . 425 ASP H . 26702 1 427 . 1 1 398 398 ASP C C 13 174.869 0.100 . 1 . . . . 425 ASP C . 26702 1 428 . 1 1 398 398 ASP CA C 13 52.497 0.500 . 1 . . . . 425 ASP CA . 26702 1 429 . 1 1 398 398 ASP CB C 13 40.845 0.500 . 1 . . . . 425 ASP CB . 26702 1 430 . 1 1 398 398 ASP N N 15 121.815 0.120 . 1 . . . . 425 ASP N . 26702 1 431 . 1 1 399 399 PRO C C 13 176.603 0.100 . 1 . . . . 426 PRO C . 26702 1 432 . 1 1 399 399 PRO CA C 13 63.359 0.500 . 1 . . . . 426 PRO CA . 26702 1 433 . 1 1 399 399 PRO CB C 13 31.936 0.500 . 1 . . . . 426 PRO CB . 26702 1 434 . 1 1 400 400 ASP H H 1 8.415 0.007 . 1 . . . . 427 ASP H . 26702 1 435 . 1 1 400 400 ASP C C 13 176.019 0.100 . 1 . . . . 427 ASP C . 26702 1 436 . 1 1 400 400 ASP CA C 13 54.224 0.500 . 1 . . . . 427 ASP CA . 26702 1 437 . 1 1 400 400 ASP CB C 13 40.821 0.500 . 1 . . . . 427 ASP CB . 26702 1 438 . 1 1 400 400 ASP N N 15 120.323 0.120 . 1 . . . . 427 ASP N . 26702 1 439 . 1 1 401 401 LEU H H 1 8.019 0.007 . 1 . . . . 428 LEU H . 26702 1 440 . 1 1 401 401 LEU C C 13 177.448 0.100 . 1 . . . . 428 LEU C . 26702 1 441 . 1 1 401 401 LEU CA C 13 54.760 0.500 . 1 . . . . 428 LEU CA . 26702 1 442 . 1 1 401 401 LEU CB C 13 42.657 0.500 . 1 . . . . 428 LEU CB . 26702 1 443 . 1 1 401 401 LEU N N 15 122.569 0.120 . 1 . . . . 428 LEU N . 26702 1 444 . 1 1 402 402 SEP H H 1 8.652 0.007 . 1 . . . . 429 SEP H . 26702 1 445 . 1 1 402 402 SEP C C 13 174.152 0.100 . 1 . . . . 429 SEP C . 26702 1 446 . 1 1 402 402 SEP CA C 13 57.318 0.500 . 1 . . . . 429 SEP CA . 26702 1 447 . 1 1 402 402 SEP CB C 13 65.844 0.500 . 1 . . . . 429 SEP CB . 26702 1 448 . 1 1 402 402 SEP N N 15 118.014 0.120 . 1 . . . . 429 SEP N . 26702 1 449 . 1 1 403 403 ASP H H 1 8.474 0.007 . 1 . . . . 430 ASP H . 26702 1 450 . 1 1 403 403 ASP C C 13 176.552 0.100 . 1 . . . . 430 ASP C . 26702 1 451 . 1 1 403 403 ASP CA C 13 54.301 0.500 . 1 . . . . 430 ASP CA . 26702 1 452 . 1 1 403 403 ASP CB C 13 41.361 0.500 . 1 . . . . 430 ASP CB . 26702 1 453 . 1 1 403 403 ASP N N 15 122.913 0.120 . 1 . . . . 430 ASP N . 26702 1 454 . 1 1 404 404 GLY H H 1 8.141 0.007 . 1 . . . . 431 GLY H . 26702 1 455 . 1 1 404 404 GLY C C 13 173.773 0.100 . 1 . . . . 431 GLY C . 26702 1 456 . 1 1 404 404 GLY CA C 13 45.221 0.500 . 1 . . . . 431 GLY CA . 26702 1 457 . 1 1 404 404 GLY N N 15 109.060 0.120 . 1 . . . . 431 GLY N . 26702 1 458 . 1 1 405 405 SEP H H 1 8.401 0.007 . 1 . . . . 432 SEP H . 26702 1 459 . 1 1 405 405 SEP C C 13 173.741 0.100 . 1 . . . . 432 SEP C . 26702 1 460 . 1 1 405 405 SEP CA C 13 56.873 0.500 . 1 . . . . 432 SEP CA . 26702 1 461 . 1 1 405 405 SEP CB C 13 65.948 0.500 . 1 . . . . 432 SEP CB . 26702 1 462 . 1 1 405 405 SEP N N 15 116.311 0.120 . 1 . . . . 432 SEP N . 26702 1 463 . 1 1 406 406 TRP H H 1 8.155 0.007 . 1 . . . . 433 TRP H . 26702 1 464 . 1 1 406 406 TRP C C 13 175.909 0.100 . 1 . . . . 433 TRP C . 26702 1 465 . 1 1 406 406 TRP CA C 13 56.702 0.500 . 1 . . . . 433 TRP CA . 26702 1 466 . 1 1 406 406 TRP CB C 13 29.920 0.500 . 1 . . . . 433 TRP CB . 26702 1 467 . 1 1 406 406 TRP N N 15 123.090 0.120 . 1 . . . . 433 TRP N . 26702 1 468 . 1 1 407 407 SEP H H 1 8.588 0.007 . 1 . . . . 434 SEP H . 26702 1 469 . 1 1 407 407 SEP C C 13 173.625 0.100 . 1 . . . . 434 SEP C . 26702 1 470 . 1 1 407 407 SEP CA C 13 57.242 0.500 . 1 . . . . 434 SEP CA . 26702 1 471 . 1 1 407 407 SEP CB C 13 66.260 0.500 . 1 . . . . 434 SEP CB . 26702 1 472 . 1 1 407 407 SEP N N 15 118.966 0.120 . 1 . . . . 434 SEP N . 26702 1 473 . 1 1 408 408 TPO H H 1 8.897 0.007 . 1 . . . . 435 TPO H . 26702 1 474 . 1 1 408 408 TPO C C 13 173.732 0.100 . 1 . . . . 435 TPO C . 26702 1 475 . 1 1 408 408 TPO CA C 13 62.292 0.500 . 1 . . . . 435 TPO CA . 26702 1 476 . 1 1 408 408 TPO CB C 13 72.250 0.500 . 1 . . . . 435 TPO CB . 26702 1 477 . 1 1 408 408 TPO N N 15 119.916 0.120 . 1 . . . . 435 TPO N . 26702 1 478 . 1 1 409 409 VAL H H 1 8.356 0.007 . 1 . . . . 436 VAL H . 26702 1 479 . 1 1 409 409 VAL C C 13 175.960 0.100 . 1 . . . . 436 VAL C . 26702 1 480 . 1 1 409 409 VAL CA C 13 61.597 0.500 . 1 . . . . 436 VAL CA . 26702 1 481 . 1 1 409 409 VAL CB C 13 33.236 0.500 . 1 . . . . 436 VAL CB . 26702 1 482 . 1 1 409 409 VAL N N 15 124.783 0.120 . 1 . . . . 436 VAL N . 26702 1 483 . 1 1 410 410 SEP H H 1 8.829 0.007 . 1 . . . . 437 SEP H . 26702 1 484 . 1 1 410 410 SEP C C 13 174.149 0.100 . 1 . . . . 437 SEP C . 26702 1 485 . 1 1 410 410 SEP CA C 13 57.603 0.500 . 1 . . . . 437 SEP CA . 26702 1 486 . 1 1 410 410 SEP CB C 13 65.866 0.500 . 1 . . . . 437 SEP CB . 26702 1 487 . 1 1 410 410 SEP N N 15 121.569 0.120 . 1 . . . . 437 SEP N . 26702 1 488 . 1 1 411 411 GLU H H 1 8.470 0.007 . 1 . . . . 438 GLU H . 26702 1 489 . 1 1 411 411 GLU C C 13 176.158 0.100 . 1 . . . . 438 GLU C . 26702 1 490 . 1 1 411 411 GLU CA C 13 56.301 0.500 . 1 . . . . 438 GLU CA . 26702 1 491 . 1 1 411 411 GLU CB C 13 30.473 0.500 . 1 . . . . 438 GLU CB . 26702 1 492 . 1 1 411 411 GLU N N 15 123.393 0.120 . 1 . . . . 438 GLU N . 26702 1 493 . 1 1 412 412 GLU H H 1 8.487 0.007 . 1 . . . . 439 GLU H . 26702 1 494 . 1 1 412 412 GLU C C 13 176.137 0.100 . 1 . . . . 439 GLU C . 26702 1 495 . 1 1 412 412 GLU CA C 13 56.606 0.500 . 1 . . . . 439 GLU CA . 26702 1 496 . 1 1 412 412 GLU CB C 13 30.230 0.500 . 1 . . . . 439 GLU CB . 26702 1 497 . 1 1 412 412 GLU N N 15 123.211 0.120 . 1 . . . . 439 GLU N . 26702 1 498 . 1 1 413 413 ALA H H 1 8.428 0.007 . 1 . . . . 440 ALA H . 26702 1 499 . 1 1 413 413 ALA C C 13 177.643 0.100 . 1 . . . . 440 ALA C . 26702 1 500 . 1 1 413 413 ALA CA C 13 52.200 0.500 . 1 . . . . 440 ALA CA . 26702 1 501 . 1 1 413 413 ALA CB C 13 19.307 0.500 . 1 . . . . 440 ALA CB . 26702 1 502 . 1 1 413 413 ALA N N 15 126.409 0.120 . 1 . . . . 440 ALA N . 26702 1 503 . 1 1 414 414 SER H H 1 8.348 0.007 . 1 . . . . 441 SER H . 26702 1 504 . 1 1 414 414 SER C C 13 177.606 0.100 . 1 . . . . 441 SER C . 26702 1 505 . 1 1 414 414 SER CA C 13 58.149 0.500 . 1 . . . . 441 SER CA . 26702 1 506 . 1 1 414 414 SER CB C 13 63.785 0.500 . 1 . . . . 441 SER CB . 26702 1 507 . 1 1 414 414 SER N N 15 116.072 0.120 . 1 . . . . 441 SER N . 26702 1 508 . 1 1 415 415 GLU H H 1 8.507 0.007 . 1 . . . . 442 GLU H . 26702 1 509 . 1 1 415 415 GLU C C 13 175.900 0.100 . 1 . . . . 442 GLU C . 26702 1 510 . 1 1 415 415 GLU CA C 13 56.454 0.500 . 1 . . . . 442 GLU CA . 26702 1 511 . 1 1 415 415 GLU CB C 13 30.200 0.500 . 1 . . . . 442 GLU CB . 26702 1 512 . 1 1 415 415 GLU N N 15 122.870 0.120 . 1 . . . . 442 GLU N . 26702 1 513 . 1 1 416 416 ASP H H 1 8.352 0.007 . 1 . . . . 443 ASP H . 26702 1 514 . 1 1 416 416 ASP C C 13 175.981 0.100 . 1 . . . . 443 ASP C . 26702 1 515 . 1 1 416 416 ASP CA C 13 54.322 0.500 . 1 . . . . 443 ASP CA . 26702 1 516 . 1 1 416 416 ASP CB C 13 41.006 0.500 . 1 . . . . 443 ASP CB . 26702 1 517 . 1 1 416 416 ASP N N 15 121.545 0.120 . 1 . . . . 443 ASP N . 26702 1 518 . 1 1 417 417 VAL H H 1 8.077 0.007 . 1 . . . . 444 VAL H . 26702 1 519 . 1 1 417 417 VAL C C 13 175.942 0.100 . 1 . . . . 444 VAL C . 26702 1 520 . 1 1 417 417 VAL CA C 13 62.090 0.500 . 1 . . . . 444 VAL CA . 26702 1 521 . 1 1 417 417 VAL CB C 13 32.430 0.500 . 1 . . . . 444 VAL CB . 26702 1 522 . 1 1 417 417 VAL N N 15 120.504 0.120 . 1 . . . . 444 VAL N . 26702 1 523 . 1 1 418 418 VAL H H 1 8.220 0.007 . 1 . . . . 445 VAL H . 26702 1 524 . 1 1 418 418 VAL C C 13 175.002 0.100 . 1 . . . . 445 VAL C . 26702 1 525 . 1 1 418 418 VAL CA C 13 62.029 0.500 . 1 . . . . 445 VAL CA . 26702 1 526 . 1 1 418 418 VAL CB C 13 32.421 0.500 . 1 . . . . 445 VAL CB . 26702 1 527 . 1 1 418 418 VAL N N 15 124.186 0.120 . 1 . . . . 445 VAL N . 26702 1 528 . 1 1 422 422 ALA C C 13 177.340 0.100 . 1 . . . . 449 ALA C . 26702 1 529 . 1 1 422 422 ALA CA C 13 52.557 0.500 . 1 . . . . 449 ALA CA . 26702 1 530 . 1 1 422 422 ALA CB C 13 18.800 0.500 . 1 . . . . 449 ALA CB . 26702 1 531 . 1 1 423 423 TRP H H 1 7.874 0.007 . 1 . . . . 450 TRP H . 26702 1 532 . 1 1 423 423 TRP C C 13 175.981 0.100 . 1 . . . . 450 TRP C . 26702 1 533 . 1 1 423 423 TRP CA C 13 57.166 0.500 . 1 . . . . 450 TRP CA . 26702 1 534 . 1 1 423 423 TRP CB C 13 29.366 0.500 . 1 . . . . 450 TRP CB . 26702 1 535 . 1 1 423 423 TRP N N 15 118.731 0.120 . 1 . . . . 450 TRP N . 26702 1 536 . 1 1 424 424 SER H H 1 7.821 0.007 . 1 . . . . 451 SER H . 26702 1 537 . 1 1 424 424 SER C C 13 175.981 0.100 . 1 . . . . 451 SER C . 26702 1 538 . 1 1 424 424 SER CA C 13 57.803 0.500 . 1 . . . . 451 SER CA . 26702 1 539 . 1 1 424 424 SER CB C 13 63.697 0.500 . 1 . . . . 451 SER CB . 26702 1 540 . 1 1 424 424 SER N N 15 116.804 0.120 . 1 . . . . 451 SER N . 26702 1 541 . 1 1 425 425 HIS H H 1 8.197 0.007 . 1 . . . . 452 HIS H . 26702 1 542 . 1 1 425 425 HIS C C 13 175.415 0.100 . 1 . . . . 452 HIS C . 26702 1 543 . 1 1 425 425 HIS CA C 13 50.857 0.500 . 1 . . . . 452 HIS CA . 26702 1 544 . 1 1 425 425 HIS CB C 13 32.945 0.500 . 1 . . . . 452 HIS CB . 26702 1 545 . 1 1 425 425 HIS N N 15 126.869 0.120 . 1 . . . . 452 HIS N . 26702 1 546 . 1 1 426 426 PRO C C 13 176.787 0.100 . 1 . . . . 453 PRO C . 26702 1 547 . 1 1 426 426 PRO CA C 13 63.296 0.500 . 1 . . . . 453 PRO CA . 26702 1 548 . 1 1 426 426 PRO CB C 13 31.875 0.500 . 1 . . . . 453 PRO CB . 26702 1 549 . 1 1 427 427 GLN H H 1 8.637 0.007 . 1 . . . . 454 GLN H . 26702 1 550 . 1 1 427 427 GLN C C 13 175.559 0.100 . 1 . . . . 454 GLN C . 26702 1 551 . 1 1 427 427 GLN CA C 13 55.864 0.500 . 1 . . . . 454 GLN CA . 26702 1 552 . 1 1 427 427 GLN CB C 13 29.246 0.500 . 1 . . . . 454 GLN CB . 26702 1 553 . 1 1 427 427 GLN N N 15 120.486 0.120 . 1 . . . . 454 GLN N . 26702 1 554 . 1 1 428 428 PHE H H 1 8.126 0.007 . 1 . . . . 455 PHE H . 26702 1 555 . 1 1 428 428 PHE C C 13 175.397 0.100 . 1 . . . . 455 PHE C . 26702 1 556 . 1 1 428 428 PHE CA C 13 57.299 0.500 . 1 . . . . 455 PHE CA . 26702 1 557 . 1 1 428 428 PHE CB C 13 39.586 0.500 . 1 . . . . 455 PHE CB . 26702 1 558 . 1 1 428 428 PHE N N 15 120.476 0.120 . 1 . . . . 455 PHE N . 26702 1 559 . 1 1 429 429 GLU H H 1 8.274 0.007 . 1 . . . . 456 GLU H . 26702 1 560 . 1 1 429 429 GLU C C 13 175.112 0.100 . 1 . . . . 456 GLU C . 26702 1 561 . 1 1 429 429 GLU CA C 13 56.385 0.500 . 1 . . . . 456 GLU CA . 26702 1 562 . 1 1 429 429 GLU CB C 13 30.237 0.500 . 1 . . . . 456 GLU CB . 26702 1 563 . 1 1 429 429 GLU N N 15 122.719 0.120 . 1 . . . . 456 GLU N . 26702 1 564 . 1 1 430 430 LYS H H 1 7.876 0.007 . 1 . . . . 457 LYS H . 26702 1 565 . 1 1 430 430 LYS C C 13 171.179 0.100 . 1 . . . . 457 LYS C . 26702 1 566 . 1 1 430 430 LYS CA C 13 57.644 0.500 . 1 . . . . 457 LYS CA . 26702 1 567 . 1 1 430 430 LYS CB C 13 33.601 0.500 . 1 . . . . 457 LYS CB . 26702 1 568 . 1 1 430 430 LYS N N 15 127.362 0.120 . 1 . . . . 457 LYS N . 26702 1 stop_ save_ ################################### # 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 2 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer1. ; _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' . . . 26702 2 2 '3D HNCACB' . . . 26702 2 3 '3D HN(CO)CACB' . . . 26702 2 4 '3D HNCO' . . . 26702 2 5 '3D HN(CA)CO' . . . 26702 2 6 '3D HN(CA)NNH' . . . 26702 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 2 2 371 371 ASP H H 1 8.297 0.007 . 1 . . . . 398 ASP H . 26702 2 2 . 2 2 371 371 ASP C C 13 175.709 0.100 . 1 . . . . 398 ASP C . 26702 2 3 . 2 2 371 371 ASP CA C 13 54.294 0.500 . 1 . . . . 398 ASP CA . 26702 2 4 . 2 2 371 371 ASP CB C 13 40.897 0.500 . 1 . . . . 398 ASP CB . 26702 2 5 . 2 2 371 371 ASP N N 15 120.147 0.120 . 1 . . . . 398 ASP N . 26702 2 6 . 2 2 372 372 GLN H H 1 8.167 0.007 . 1 . . . . 399 GLN H . 26702 2 7 . 2 2 372 372 GLN C C 13 173.632 0.100 . 1 . . . . 399 GLN C . 26702 2 8 . 2 2 372 372 GLN CA C 13 53.412 0.500 . 1 . . . . 399 GLN CA . 26702 2 9 . 2 2 372 372 GLN CB C 13 29.107 0.500 . 1 . . . . 399 GLN CB . 26702 2 10 . 2 2 372 372 GLN N N 15 121.174 0.120 . 1 . . . . 399 GLN N . 26702 2 11 . 2 2 373 373 PRO C C 13 177.064 0.100 . 1 . . . . 400 PRO C . 26702 2 12 . 2 2 373 373 PRO CA C 13 62.827 0.500 . 1 . . . . 400 PRO CA . 26702 2 13 . 2 2 373 373 PRO CB C 13 32.017 0.500 . 1 . . . . 400 PRO CB . 26702 2 14 . 2 2 374 374 SEP H H 1 9.033 0.007 . 1 . . . . 401 SEP H . 26702 2 15 . 2 2 374 374 SEP C C 13 174.101 0.100 . 1 . . . . 401 SEP C . 26702 2 16 . 2 2 374 374 SEP CA C 13 57.716 0.500 . 1 . . . . 401 SEP CA . 26702 2 17 . 2 2 374 374 SEP CB C 13 65.860 0.500 . 1 . . . . 401 SEP CB . 26702 2 18 . 2 2 374 374 SEP N N 15 118.096 0.120 . 1 . . . . 401 SEP N . 26702 2 19 . 2 2 375 375 ASP H H 1 8.368 0.007 . 1 . . . . 402 ASP H . 26702 2 20 . 2 2 375 375 ASP C C 13 175.776 0.100 . 1 . . . . 402 ASP C . 26702 2 21 . 2 2 375 375 ASP CA C 13 53.801 0.500 . 1 . . . . 402 ASP CA . 26702 2 22 . 2 2 375 375 ASP CB C 13 41.413 0.500 . 1 . . . . 402 ASP CB . 26702 2 23 . 2 2 375 375 ASP N N 15 122.127 0.120 . 1 . . . . 402 ASP N . 26702 2 24 . 2 2 376 376 ASP H H 1 8.320 0.007 . 1 . . . . 403 ASP H . 26702 2 25 . 2 2 376 376 ASP C C 13 176.975 0.100 . 1 . . . . 403 ASP C . 26702 2 26 . 2 2 376 376 ASP CA C 13 54.242 0.500 . 1 . . . . 403 ASP CA . 26702 2 27 . 2 2 376 376 ASP CB C 13 40.977 0.500 . 1 . . . . 403 ASP CB . 26702 2 28 . 2 2 376 376 ASP N N 15 121.731 0.120 . 1 . . . . 403 ASP N . 26702 2 29 . 2 2 377 377 GLY H H 1 8.405 0.007 . 1 . . . . 404 GLY H . 26702 2 30 . 2 2 377 377 GLY C C 13 174.067 0.100 . 1 . . . . 404 GLY C . 26702 2 31 . 2 2 377 377 GLY CA C 13 45.272 0.500 . 1 . . . . 404 GLY CA . 26702 2 32 . 2 2 377 377 GLY N N 15 109.315 0.120 . 1 . . . . 404 GLY N . 26702 2 33 . 2 2 378 378 ASP H H 1 8.237 0.007 . 1 . . . . 405 ASP H . 26702 2 34 . 2 2 378 378 ASP C C 13 176.003 0.100 . 1 . . . . 405 ASP C . 26702 2 35 . 2 2 378 378 ASP CA C 13 54.140 0.500 . 1 . . . . 405 ASP CA . 26702 2 36 . 2 2 378 378 ASP CB C 13 41.303 0.500 . 1 . . . . 405 ASP CB . 26702 2 37 . 2 2 378 378 ASP N N 15 120.602 0.120 . 1 . . . . 405 ASP N . 26702 2 38 . 2 2 379 379 ALA H H 1 8.287 0.007 . 1 . . . . 406 ALA H . 26702 2 39 . 2 2 379 379 ALA C C 13 178.137 0.100 . 1 . . . . 406 ALA C . 26702 2 40 . 2 2 379 379 ALA CA C 13 52.523 0.500 . 1 . . . . 406 ALA CA . 26702 2 41 . 2 2 379 379 ALA CB C 13 19.048 0.500 . 1 . . . . 406 ALA CB . 26702 2 42 . 2 2 379 379 ALA N N 15 124.957 0.120 . 1 . . . . 406 ALA N . 26702 2 43 . 2 2 380 380 GLY H H 1 8.301 0.007 . 1 . . . . 407 GLY H . 26702 2 44 . 2 2 380 380 GLY C C 13 174.252 0.100 . 1 . . . . 407 GLY C . 26702 2 45 . 2 2 380 380 GLY CA C 13 44.982 0.500 . 1 . . . . 407 GLY CA . 26702 2 46 . 2 2 380 380 GLY N N 15 108.210 0.120 . 1 . . . . 407 GLY N . 26702 2 47 . 2 2 381 381 SEP H H 1 8.844 0.007 . 1 . . . . 408 SEP H . 26702 2 48 . 2 2 381 381 SEP C C 13 174.245 0.100 . 1 . . . . 408 SEP C . 26702 2 49 . 2 2 381 381 SEP CA C 13 57.752 0.500 . 1 . . . . 408 SEP CA . 26702 2 50 . 2 2 381 381 SEP CB C 13 65.838 0.500 . 1 . . . . 408 SEP CB . 26702 2 51 . 2 2 381 381 SEP N N 15 117.054 0.120 . 1 . . . . 408 SEP N . 26702 2 52 . 2 2 382 382 ASP H H 1 8.530 0.007 . 1 . . . . 409 ASP H . 26702 2 53 . 2 2 382 382 ASP C C 13 176.271 0.100 . 1 . . . . 409 ASP C . 26702 2 54 . 2 2 382 382 ASP CA C 13 54.217 0.500 . 1 . . . . 409 ASP CA . 26702 2 55 . 2 2 382 382 ASP CB C 13 40.723 0.500 . 1 . . . . 409 ASP CB . 26702 2 56 . 2 2 382 382 ASP N N 15 122.389 0.120 . 1 . . . . 409 ASP N . 26702 2 57 . 2 2 383 383 VAL H H 1 7.978 0.007 . 1 . . . . 410 VAL H . 26702 2 58 . 2 2 383 383 VAL C C 13 176.433 0.100 . 1 . . . . 410 VAL C . 26702 2 59 . 2 2 383 383 VAL CA C 13 62.401 0.500 . 1 . . . . 410 VAL CA . 26702 2 60 . 2 2 383 383 VAL CB C 13 32.504 0.500 . 1 . . . . 410 VAL CB . 26702 2 61 . 2 2 383 383 VAL N N 15 120.065 0.120 . 1 . . . . 410 VAL N . 26702 2 62 . 2 2 384 384 GLU H H 1 8.425 0.007 . 1 . . . . 411 GLU H . 26702 2 63 . 2 2 384 384 GLU C C 13 176.553 0.100 . 1 . . . . 411 GLU C . 26702 2 64 . 2 2 384 384 GLU CA C 13 56.779 0.500 . 1 . . . . 411 GLU CA . 26702 2 65 . 2 2 384 384 GLU CB C 13 29.837 0.500 . 1 . . . . 411 GLU CB . 26702 2 66 . 2 2 384 384 GLU N N 15 123.964 0.120 . 1 . . . . 411 GLU N . 26702 2 67 . 2 2 385 385 SER H H 1 8.182 0.007 . 1 . . . . 412 SER H . 26702 2 68 . 2 2 385 385 SER C C 13 174.303 0.100 . 1 . . . . 412 SER C . 26702 2 69 . 2 2 385 385 SER CA C 13 58.434 0.500 . 1 . . . . 412 SER CA . 26702 2 70 . 2 2 385 385 SER CB C 13 63.631 0.500 . 1 . . . . 412 SER CB . 26702 2 71 . 2 2 385 385 SER N N 15 116.601 0.120 . 1 . . . . 412 SER N . 26702 2 72 . 2 2 386 386 TYR H H 1 8.129 0.007 . 1 . . . . 413 TYR H . 26702 2 73 . 2 2 386 386 TYR C C 13 175.880 0.100 . 1 . . . . 413 TYR C . 26702 2 74 . 2 2 386 386 TYR CA C 13 58.155 0.500 . 1 . . . . 413 TYR CA . 26702 2 75 . 2 2 386 386 TYR CB C 13 38.516 0.500 . 1 . . . . 413 TYR CB . 26702 2 76 . 2 2 386 386 TYR N N 15 122.132 0.120 . 1 . . . . 413 TYR N . 26702 2 77 . 2 2 387 387 SER H H 1 8.143 0.007 . 1 . . . . 414 SER H . 26702 2 78 . 2 2 387 387 SER C C 13 174.331 0.100 . 1 . . . . 414 SER C . 26702 2 79 . 2 2 387 387 SER CA C 13 58.337 0.500 . 1 . . . . 414 SER CA . 26702 2 80 . 2 2 387 387 SER CB C 13 63.725 0.500 . 1 . . . . 414 SER CB . 26702 2 81 . 2 2 387 387 SER N N 15 117.139 0.120 . 1 . . . . 414 SER N . 26702 2 82 . 2 2 388 388 SER H H 1 8.205 0.007 . 1 . . . . 415 SER H . 26702 2 83 . 2 2 388 388 SER C C 13 174.185 0.100 . 1 . . . . 415 SER C . 26702 2 84 . 2 2 388 388 SER CA C 13 58.324 0.500 . 1 . . . . 415 SER CA . 26702 2 85 . 2 2 388 388 SER CB C 13 63.399 0.500 . 1 . . . . 415 SER CB . 26702 2 86 . 2 2 388 388 SER N N 15 117.819 0.120 . 1 . . . . 415 SER N . 26702 2 87 . 2 2 389 389 MET H H 1 8.227 0.007 . 1 . . . . 416 MET H . 26702 2 88 . 2 2 389 389 MET C C 13 173.679 0.100 . 1 . . . . 416 MET C . 26702 2 89 . 2 2 389 389 MET CA C 13 53.231 0.500 . 1 . . . . 416 MET CA . 26702 2 90 . 2 2 389 389 MET CB C 13 32.210 0.500 . 1 . . . . 416 MET CB . 26702 2 91 . 2 2 389 389 MET N N 15 123.254 0.120 . 1 . . . . 416 MET N . 26702 2 stop_ save_ ################################### # 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_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 3 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer2. ; _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' . . . 26702 3 2 '3D HNCACB' . . . 26702 3 3 '3D HN(CO)CACB' . . . 26702 3 4 '3D HNCO' . . . 26702 3 5 '3D HN(CA)CO' . . . 26702 3 6 '3D HN(CA)NNH' . . . 26702 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 3 3 400 400 ASP H H 1 8.422 0.007 . 1 . . . . 427 ASP H . 26702 3 2 . 3 3 400 400 ASP C C 13 176.457 0.100 . 1 . . . . 427 ASP C . 26702 3 3 . 3 3 400 400 ASP CA C 13 54.250 0.500 . 1 . . . . 427 ASP CA . 26702 3 4 . 3 3 400 400 ASP CB C 13 40.769 0.500 . 1 . . . . 427 ASP CB . 26702 3 5 . 3 3 400 400 ASP N N 15 119.875 0.120 . 1 . . . . 427 ASP N . 26702 3 6 . 3 3 401 401 LEU H H 1 8.069 0.007 . 1 . . . . 428 LEU H . 26702 3 7 . 3 3 401 401 LEU C C 13 177.642 0.100 . 1 . . . . 428 LEU C . 26702 3 8 . 3 3 401 401 LEU CA C 13 54.928 0.500 . 1 . . . . 428 LEU CA . 26702 3 9 . 3 3 401 401 LEU CB C 13 41.708 0.500 . 1 . . . . 428 LEU CB . 26702 3 10 . 3 3 401 401 LEU N N 15 122.975 0.120 . 1 . . . . 428 LEU N . 26702 3 11 . 3 3 402 402 SER H H 1 8.273 0.007 . 1 . . . . 429 SER H . 26702 3 12 . 3 3 402 402 SER C C 13 174.480 0.100 . 1 . . . . 429 SER C . 26702 3 13 . 3 3 402 402 SER CA C 13 58.543 0.500 . 1 . . . . 429 SER CA . 26702 3 14 . 3 3 402 402 SER CB C 13 63.678 0.500 . 1 . . . . 429 SER CB . 26702 3 15 . 3 3 402 402 SER N N 15 116.451 0.120 . 1 . . . . 429 SER N . 26702 3 16 . 3 3 403 403 ASP H H 1 8.271 0.007 . 1 . . . . 430 ASP H . 26702 3 17 . 3 3 403 403 ASP C C 13 176.853 0.100 . 1 . . . . 430 ASP C . 26702 3 18 . 3 3 403 403 ASP CA C 13 54.280 0.500 . 1 . . . . 430 ASP CA . 26702 3 19 . 3 3 403 403 ASP CB C 13 40.966 0.500 . 1 . . . . 430 ASP CB . 26702 3 20 . 3 3 403 403 ASP N N 15 122.241 0.120 . 1 . . . . 430 ASP N . 26702 3 21 . 3 3 404 404 GLY H H 1 8.258 0.007 . 1 . . . . 431 GLY H . 26702 3 22 . 3 3 404 404 GLY C C 13 174.610 0.100 . 1 . . . . 431 GLY C . 26702 3 23 . 3 3 404 404 GLY CA C 13 45.272 0.500 . 1 . . . . 431 GLY CA . 26702 3 24 . 3 3 404 404 GLY N N 15 109.344 0.120 . 1 . . . . 431 GLY N . 26702 3 25 . 3 3 405 405 SER H H 1 8.167 0.007 . 1 . . . . 432 SER H . 26702 3 26 . 3 3 405 405 SER C C 13 174.403 0.100 . 1 . . . . 432 SER C . 26702 3 27 . 3 3 405 405 SER CA C 13 58.682 0.500 . 1 . . . . 432 SER CA . 26702 3 28 . 3 3 405 405 SER CB C 13 63.477 0.500 . 1 . . . . 432 SER CB . 26702 3 29 . 3 3 405 405 SER N N 15 115.888 0.120 . 1 . . . . 432 SER N . 26702 3 30 . 3 3 406 406 TRP H H 1 8.016 0.007 . 1 . . . . 433 TRP H . 26702 3 31 . 3 3 406 406 TRP C C 13 176.151 0.100 . 1 . . . . 433 TRP C . 26702 3 32 . 3 3 406 406 TRP CA C 13 57.259 0.500 . 1 . . . . 433 TRP CA . 26702 3 33 . 3 3 406 406 TRP CB C 13 29.310 0.500 . 1 . . . . 433 TRP CB . 26702 3 34 . 3 3 406 406 TRP N N 15 122.310 0.120 . 1 . . . . 433 TRP N . 26702 3 35 . 3 3 407 407 SER H H 1 7.984 0.007 . 1 . . . . 434 SER H . 26702 3 36 . 3 3 407 407 SER C C 13 174.467 0.100 . 1 . . . . 434 SER C . 26702 3 37 . 3 3 407 407 SER CA C 13 58.036 0.500 . 1 . . . . 434 SER CA . 26702 3 38 . 3 3 407 407 SER CB C 13 63.692 0.500 . 1 . . . . 434 SER CB . 26702 3 39 . 3 3 407 407 SER N N 15 116.933 0.120 . 1 . . . . 434 SER N . 26702 3 40 . 3 3 408 408 THR H H 1 8.082 0.007 . 1 . . . . 435 THR H . 26702 3 41 . 3 3 408 408 THR C C 13 174.498 0.100 . 1 . . . . 435 THR C . 26702 3 42 . 3 3 408 408 THR CA C 13 61.931 0.500 . 1 . . . . 435 THR CA . 26702 3 43 . 3 3 408 408 THR CB C 13 69.645 0.500 . 1 . . . . 435 THR CB . 26702 3 44 . 3 3 408 408 THR N N 15 116.065 0.120 . 1 . . . . 435 THR N . 26702 3 45 . 3 3 409 409 VAL H H 1 8.072 0.007 . 1 . . . . 436 VAL H . 26702 3 46 . 3 3 409 409 VAL C C 13 176.061 0.100 . 1 . . . . 436 VAL C . 26702 3 47 . 3 3 409 409 VAL CA C 13 62.245 0.500 . 1 . . . . 436 VAL CA . 26702 3 48 . 3 3 409 409 VAL CB C 13 32.616 0.500 . 1 . . . . 436 VAL CB . 26702 3 49 . 3 3 409 409 VAL N N 15 122.316 0.120 . 1 . . . . 436 VAL N . 26702 3 50 . 3 3 410 410 SER H H 1 8.365 0.007 . 1 . . . . 437 SER H . 26702 3 51 . 3 3 410 410 SER C C 13 174.002 0.100 . 1 . . . . 437 SER C . 26702 3 52 . 3 3 410 410 SER CA C 13 58.159 0.500 . 1 . . . . 437 SER CA . 26702 3 53 . 3 3 410 410 SER CB C 13 63.680 0.500 . 1 . . . . 437 SER CB . 26702 3 54 . 3 3 410 410 SER N N 15 119.883 0.120 . 1 . . . . 437 SER N . 26702 3 55 . 3 3 411 411 GLU H H 1 8.487 0.007 . 1 . . . . 438 GLU H . 26702 3 56 . 3 3 411 411 GLU C C 13 176.357 0.100 . 1 . . . . 438 GLU C . 26702 3 57 . 3 3 411 411 GLU CA C 13 56.382 0.500 . 1 . . . . 438 GLU CA . 26702 3 58 . 3 3 411 411 GLU CB C 13 30.232 0.500 . 1 . . . . 438 GLU CB . 26702 3 59 . 3 3 411 411 GLU N N 15 123.490 0.120 . 1 . . . . 438 GLU N . 26702 3 60 . 3 3 412 412 GLU H H 1 8.373 0.007 . 1 . . . . 439 GLU H . 26702 3 61 . 3 3 412 412 GLU C C 13 176.355 0.100 . 1 . . . . 439 GLU C . 26702 3 62 . 3 3 412 412 GLU CA C 13 56.488 0.500 . 1 . . . . 439 GLU CA . 26702 3 63 . 3 3 412 412 GLU CB C 13 29.781 0.500 . 1 . . . . 439 GLU CB . 26702 3 64 . 3 3 412 412 GLU N N 15 121.817 0.120 . 1 . . . . 439 GLU N . 26702 3 65 . 3 3 413 413 ALA H H 1 8.320 0.007 . 1 . . . . 440 ALA H . 26702 3 66 . 3 3 413 413 ALA C C 13 177.601 0.100 . 1 . . . . 440 ALA C . 26702 3 67 . 3 3 413 413 ALA CA C 13 52.289 0.500 . 1 . . . . 440 ALA CA . 26702 3 68 . 3 3 413 413 ALA CB C 13 19.074 0.500 . 1 . . . . 440 ALA CB . 26702 3 69 . 3 3 413 413 ALA N N 15 125.545 0.120 . 1 . . . . 440 ALA N . 26702 3 70 . 3 3 414 414 SER H H 1 8.263 0.007 . 1 . . . . 441 SER H . 26702 3 71 . 3 3 414 414 SER C C 13 174.768 0.100 . 1 . . . . 441 SER C . 26702 3 72 . 3 3 414 414 SER CA C 13 58.374 0.500 . 1 . . . . 441 SER CA . 26702 3 73 . 3 3 414 414 SER CB C 13 63.723 0.500 . 1 . . . . 441 SER CB . 26702 3 74 . 3 3 414 414 SER N N 15 115.686 0.120 . 1 . . . . 441 SER N . 26702 3 stop_ save_ ################################### # 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_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 4 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer3. ; _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' . . . 26702 4 2 '3D HNCACB' . . . 26702 4 3 '3D HN(CO)CACB' . . . 26702 4 4 '3D HNCO' . . . 26702 4 5 '3D HN(CA)CO' . . . 26702 4 6 '3D HN(CA)NNH' . . . 26702 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 4 4 405 405 SEP H H 1 8.434 0.007 . 1 . . . . 432 SEP H . 26702 4 2 . 4 4 405 405 SEP C C 13 173.843 0.100 . 1 . . . . 432 SEP C . 26702 4 3 . 4 4 405 405 SEP CA C 13 56.876 0.500 . 1 . . . . 432 SEP CA . 26702 4 4 . 4 4 405 405 SEP CB C 13 65.813 0.500 . 1 . . . . 432 SEP CB . 26702 4 5 . 4 4 405 405 SEP N N 15 116.267 0.120 . 1 . . . . 432 SEP N . 26702 4 6 . 4 4 406 406 TRP H H 1 8.161 0.007 . 1 . . . . 433 TRP H . 26702 4 7 . 4 4 406 406 TRP C C 13 175.909 0.100 . 1 . . . . 433 TRP C . 26702 4 8 . 4 4 406 406 TRP CA C 13 56.876 0.500 . 1 . . . . 433 TRP CA . 26702 4 9 . 4 4 406 406 TRP CB C 13 29.983 0.500 . 1 . . . . 433 TRP CB . 26702 4 10 . 4 4 406 406 TRP N N 15 123.061 0.120 . 1 . . . . 433 TRP N . 26702 4 11 . 4 4 407 407 SEP H H 1 8.623 0.007 . 1 . . . . 434 SEP H . 26702 4 12 . 4 4 407 407 SEP C C 13 173.630 0.100 . 1 . . . . 434 SEP C . 26702 4 13 . 4 4 407 407 SEP CA C 13 57.252 0.500 . 1 . . . . 434 SEP CA . 26702 4 14 . 4 4 407 407 SEP CB C 13 65.956 0.500 . 1 . . . . 434 SEP CB . 26702 4 15 . 4 4 407 407 SEP N N 15 118.858 0.120 . 1 . . . . 434 SEP N . 26702 4 16 . 4 4 408 408 TPO H H 1 8.925 0.007 . 1 . . . . 435 TPO H . 26702 4 17 . 4 4 408 408 TPO C C 13 173.763 0.100 . 1 . . . . 435 TPO C . 26702 4 18 . 4 4 408 408 TPO CA C 13 62.021 0.500 . 1 . . . . 435 TPO CA . 26702 4 19 . 4 4 408 408 TPO CB C 13 72.171 0.500 . 1 . . . . 435 TPO CB . 26702 4 20 . 4 4 408 408 TPO N N 15 119.965 0.120 . 1 . . . . 435 TPO N . 26702 4 21 . 4 4 409 409 VAL H H 1 8.357 0.007 . 1 . . . . 436 VAL H . 26702 4 22 . 4 4 409 409 VAL C C 13 174.083 0.100 . 1 . . . . 436 VAL C . 26702 4 23 . 4 4 409 409 VAL CA C 13 61.568 0.500 . 1 . . . . 436 VAL CA . 26702 4 24 . 4 4 409 409 VAL CB C 13 33.193 0.500 . 1 . . . . 436 VAL CB . 26702 4 25 . 4 4 409 409 VAL N N 15 124.775 0.120 . 1 . . . . 436 VAL N . 26702 4 26 . 4 4 410 410 SEP H H 1 8.845 0.007 . 1 . . . . 437 SEP H . 26702 4 27 . 4 4 410 410 SEP C C 13 174.083 0.100 . 1 . . . . 437 SEP C . 26702 4 28 . 4 4 410 410 SEP CA C 13 57.670 0.500 . 1 . . . . 437 SEP CA . 26702 4 29 . 4 4 410 410 SEP CB C 13 65.814 0.500 . 1 . . . . 437 SEP CB . 26702 4 30 . 4 4 410 410 SEP N N 15 121.307 0.120 . 1 . . . . 437 SEP N . 26702 4 stop_ save_