data_28036 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Shaker-VSD(S2bot_mutant) ; _BMRB_accession_number 28036 _BMRB_flat_file_name bmr28036.str _Entry_type original _Submission_date 2019-11-04 _Accession_date 2019-11-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Hongbo . . 2 Chanda Baron . . 3 Henzler-Wildman Katherine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 155 "13C chemical shifts" 510 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-10 original BMRB . stop_ _Original_release_date 2019-11-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C backbone chemical shift assignment of Shaker-VSD(S2bot_mutant) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Hongbo . . 2 Chanda Baron . . 3 Henzler-Wildman Katherine . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Shaker-VSD(S2bot_mutant) monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Shaker-VSD(S2bot_mutant) $Shaker-VSD(S2bot_mutant) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Shaker-VSD(S2bot_mutant) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Shaker-VSD(S2bot_mutant) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; GGGGFEYPESSQAARVVAII SVFVILLSIVIFCLETLPEF KHYKVFNTTTNGTKIEEDEV PDITDPFFLIETLCIIWFTF ELTVRFLACPNKLNFCRDVM NVIDIIAIIPYFITLATVVA EEEDTLNLPKAPVSPQDKSS NQAMSLAILRVIRLVRSSRI FKLSRHSKGLQILGRTLKAS MRELG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 213 GLY 2 214 GLY 3 215 GLY 4 216 GLY 5 217 PHE 6 218 GLU 7 219 TYR 8 220 PRO 9 221 GLU 10 222 SER 11 223 SER 12 224 GLN 13 225 ALA 14 226 ALA 15 227 ARG 16 228 VAL 17 229 VAL 18 230 ALA 19 231 ILE 20 232 ILE 21 233 SER 22 234 VAL 23 235 PHE 24 236 VAL 25 237 ILE 26 238 LEU 27 239 LEU 28 240 SER 29 241 ILE 30 242 VAL 31 243 ILE 32 244 PHE 33 245 CYS 34 246 LEU 35 247 GLU 36 248 THR 37 249 LEU 38 250 PRO 39 251 GLU 40 252 PHE 41 253 LYS 42 254 HIS 43 255 TYR 44 256 LYS 45 257 VAL 46 258 PHE 47 259 ASN 48 260 THR 49 261 THR 50 262 THR 51 263 ASN 52 264 GLY 53 265 THR 54 266 LYS 55 267 ILE 56 268 GLU 57 269 GLU 58 270 ASP 59 271 GLU 60 272 VAL 61 273 PRO 62 274 ASP 63 275 ILE 64 276 THR 65 277 ASP 66 278 PRO 67 279 PHE 68 280 PHE 69 281 LEU 70 282 ILE 71 283 GLU 72 284 THR 73 285 LEU 74 286 CYS 75 287 ILE 76 288 ILE 77 289 TRP 78 290 PHE 79 291 THR 80 292 PHE 81 293 GLU 82 294 LEU 83 295 THR 84 296 VAL 85 297 ARG 86 298 PHE 87 299 LEU 88 300 ALA 89 301 CYS 90 302 PRO 91 303 ASN 92 304 LYS 93 305 LEU 94 306 ASN 95 307 PHE 96 308 CYS 97 309 ARG 98 310 ASP 99 311 VAL 100 312 MET 101 313 ASN 102 314 VAL 103 315 ILE 104 316 ASP 105 317 ILE 106 318 ILE 107 319 ALA 108 320 ILE 109 321 ILE 110 322 PRO 111 323 TYR 112 324 PHE 113 325 ILE 114 326 THR 115 327 LEU 116 328 ALA 117 329 THR 118 330 VAL 119 331 VAL 120 332 ALA 121 333 GLU 122 334 GLU 123 335 GLU 124 336 ASP 125 337 THR 126 338 LEU 127 339 ASN 128 340 LEU 129 341 PRO 130 342 LYS 131 343 ALA 132 344 PRO 133 345 VAL 134 346 SER 135 347 PRO 136 348 GLN 137 349 ASP 138 350 LYS 139 351 SER 140 352 SER 141 353 ASN 142 354 GLN 143 355 ALA 144 356 MET 145 357 SER 146 358 LEU 147 359 ALA 148 360 ILE 149 361 LEU 150 362 ARG 151 363 VAL 152 364 ILE 153 365 ARG 154 366 LEU 155 367 VAL 156 368 ARG 157 369 SER 158 370 SER 159 371 ARG 160 372 ILE 161 373 PHE 162 374 LYS 163 375 LEU 164 376 SER 165 377 ARG 166 378 HIS 167 379 SER 168 380 LYS 169 381 GLY 170 382 LEU 171 383 GLN 172 384 ILE 173 385 LEU 174 386 GLY 175 387 ARG 176 388 THR 177 389 LEU 178 390 LYS 179 391 ALA 180 392 SER 181 393 MET 182 394 ARG 183 395 GLU 184 396 LEU 185 397 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Shaker-VSD(S2bot_mutant) 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Shaker-VSD(S2bot_mutant) 'recombinant technology' . Escherichia coli . pet-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-13C-D_S2bot _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' $Shaker-VSD(S2bot_mutant) 0.35 mM 0.2 0.5 '[U-13C; U-15N; U-2H]' 'potassium chloride' 50 mM . . 'natural abundance' MOPS 100 mM . . 'natural abundance' LPPG 40 mM . . 'natural abundance' TCEP 4 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Saveframe_category software _Name CCPNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-13C-D_S2bot save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N-13C-D_S2bot save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N-13C-D_S2bot save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C-D_S2bot save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N-13C-D_S2bot save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $15N-13C-D_S2bot save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' stop_ loop_ _Sample_label $15N-13C-D_S2bot stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Shaker-VSD(S2bot_mutant) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 215 3 GLY C C 173.569 . . 2 215 3 GLY CA C 44.758 . . 3 217 5 PHE H H 7.919 . . 4 217 5 PHE C C 174.666 . . 5 217 5 PHE CA C 57.288 . . 6 217 5 PHE CB C 39.341 . . 7 217 5 PHE N N 120.488 . . 8 218 6 GLU H H 7.857 . . 9 218 6 GLU C C 174.945 . . 10 218 6 GLU CA C 54.955 . . 11 218 6 GLU CB C 30.181 . . 12 218 6 GLU N N 123.287 . . 13 219 7 TYR H H 7.963 . . 14 219 7 TYR C C 174.151 . . 15 219 7 TYR CA C 55.911 . . 16 219 7 TYR CB C 37.294 . . 17 219 7 TYR N N 122.079 . . 18 220 8 PRO C C 176.111 . . 19 220 8 PRO CA C 62.676 . . 20 220 8 PRO CB C 31.050 . . 21 221 9 GLU H H 8.255 . . 22 221 9 GLU C C 177.047 . . 23 221 9 GLU CA C 56.536 . . 24 221 9 GLU CB C 29.312 . . 25 221 9 GLU N N 120.508 . . 26 222 10 SER H H 8.197 . . 27 222 10 SER C C 177.450 . . 28 222 10 SER CA C 59.075 . . 29 222 10 SER CB C 63.784 . . 30 222 10 SER N N 116.634 . . 31 223 11 SER C C 174.657 . . 32 223 11 SER CA C 57.303 . . 33 224 12 GLN H H 7.854 . . 34 224 12 GLN C C 175.132 . . 35 224 12 GLN CA C 55.047 . . 36 224 12 GLN CB C 30.200 . . 37 224 12 GLN N N 122.856 . . 38 225 13 ALA H H 7.854 . . 39 225 13 ALA C C 175.580 . . 40 225 13 ALA CA C 49.989 . . 41 225 13 ALA CB C 18.646 . . 42 225 13 ALA N N 124.046 . . 43 232 20 ILE C C 175.184 . . 44 232 20 ILE CA C 58.918 . . 45 233 21 SER H H 8.327 . . 46 233 21 SER C C 178.521 . . 47 233 21 SER CA C 59.340 . . 48 233 21 SER CB C 63.075 . . 49 233 21 SER N N 118.153 . . 50 234 22 VAL C C 177.175 . . 51 234 22 VAL CA C 66.575 . . 52 235 23 PHE H H 7.979 . . 53 235 23 PHE C C 176.851 . . 54 235 23 PHE CA C 61.769 . . 55 235 23 PHE CB C 38.289 . . 56 235 23 PHE N N 119.263 . . 57 236 24 VAL H H 8.451 . . 58 236 24 VAL C C 178.643 . . 59 236 24 VAL CA C 66.673 . . 60 236 24 VAL CB C 30.603 . . 61 236 24 VAL N N 118.123 . . 62 240 28 SER C C 177.519 . . 63 240 28 SER CA C 57.579 . . 64 241 29 ILE H H 8.240 . . 65 241 29 ILE C C 178.149 . . 66 241 29 ILE CA C 65.243 . . 67 241 29 ILE CB C 37.242 . . 68 241 29 ILE N N 118.683 . . 69 242 30 VAL H H 8.154 . . 70 242 30 VAL C C 177.574 . . 71 242 30 VAL CA C 67.453 . . 72 242 30 VAL CB C 30.674 . . 73 242 30 VAL N N 121.080 . . 74 243 31 ILE H H 8.410 . . 75 243 31 ILE C C 177.492 . . 76 243 31 ILE CA C 65.227 . . 77 243 31 ILE CB C 36.379 . . 78 243 31 ILE N N 118.987 . . 79 244 32 PHE C C 178.738 . . 80 244 32 PHE CA C 61.812 . . 81 245 33 CYS H H 8.522 . . 82 245 33 CYS C C 176.568 . . 83 245 33 CYS CA C 64.295 . . 84 245 33 CYS N N 118.777 . . 85 246 34 LEU H H 8.320 . . 86 246 34 LEU C C 178.258 . . 87 246 34 LEU CA C 57.438 . . 88 246 34 LEU CB C 40.918 . . 89 246 34 LEU N N 119.605 . . 90 251 39 GLU C C 177.156 . . 91 251 39 GLU CA C 62.845 . . 92 252 40 PHE H H 7.745 . . 93 252 40 PHE C C 176.253 . . 94 252 40 PHE CA C 58.266 . . 95 252 40 PHE CB C 38.657 . . 96 252 40 PHE N N 118.529 . . 97 253 41 LYS H H 7.674 . . 98 253 41 LYS C C 176.611 . . 99 253 41 LYS CA C 57.311 . . 100 253 41 LYS CB C 31.490 . . 101 253 41 LYS N N 118.806 . . 102 254 42 HIS C C 174.764 . . 103 254 42 HIS CA C 55.628 . . 104 254 42 HIS CB C 28.737 . . 105 255 43 TYR H H 7.630 . . 106 255 43 TYR C C 175.405 . . 107 255 43 TYR CA C 58.016 . . 108 255 43 TYR CB C 38.026 . . 109 255 43 TYR N N 119.970 . . 110 256 44 LYS H H 7.845 . . 111 256 44 LYS C C 176.330 . . 112 256 44 LYS CA C 56.286 . . 113 256 44 LYS CB C 31.723 . . 114 256 44 LYS N N 121.972 . . 115 257 45 VAL H H 7.608 . . 116 257 45 VAL C C 175.318 . . 117 257 45 VAL CA C 62.773 . . 118 257 45 VAL CB C 31.649 . . 119 257 45 VAL N N 118.521 . . 120 258 46 PHE H H 7.708 . . 121 258 46 PHE C C 175.220 . . 122 258 46 PHE CA C 57.029 . . 123 258 46 PHE CB C 38.830 . . 124 258 46 PHE N N 118.902 . . 125 259 47 ASN H H 8.176 . . 126 259 47 ASN C C 175.112 . . 127 259 47 ASN CA C 52.976 . . 128 259 47 ASN CB C 38.865 . . 129 259 47 ASN N N 119.723 . . 130 260 48 THR H H 8.056 . . 131 260 48 THR C C 174.776 . . 132 260 48 THR CA C 61.543 . . 133 260 48 THR CB C 69.316 . . 134 260 48 THR N N 114.489 . . 135 261 49 THR H H 8.079 . . 136 261 49 THR C C 174.598 . . 137 261 49 THR CA C 61.533 . . 138 261 49 THR CB C 69.419 . . 139 261 49 THR N N 116.527 . . 140 262 50 THR H H 8.058 . . 141 262 50 THR C C 173.532 . . 142 262 50 THR CA C 61.373 . . 143 262 50 THR CB C 69.468 . . 144 262 50 THR N N 116.484 . . 145 263 51 ASN H H 7.961 . . 146 263 51 ASN C C 175.678 . . 147 263 51 ASN CA C 54.604 . . 148 263 51 ASN CB C 40.615 . . 149 263 51 ASN N N 126.619 . . 150 264 52 GLY H H 8.206 . . 151 264 52 GLY C C 174.247 . . 152 264 52 GLY CA C 45.211 . . 153 264 52 GLY N N 109.729 . . 154 265 53 THR H H 7.876 . . 155 265 53 THR C C 174.269 . . 156 265 53 THR CA C 61.738 . . 157 265 53 THR CB C 69.550 . . 158 265 53 THR N N 114.456 . . 159 266 54 LYS H H 8.158 . . 160 266 54 LYS C C 176.162 . . 161 266 54 LYS CA C 55.806 . . 162 266 54 LYS CB C 32.245 . . 163 266 54 LYS N N 124.515 . . 164 267 55 ILE H H 8.065 . . 165 267 55 ILE C C 176.210 . . 166 267 55 ILE CA C 60.878 . . 167 267 55 ILE CB C 37.914 . . 168 267 55 ILE N N 122.973 . . 169 268 56 GLU H H 8.313 . . 170 268 56 GLU C C 176.419 . . 171 268 56 GLU CA C 56.197 . . 172 268 56 GLU CB C 29.499 . . 173 268 56 GLU N N 124.412 . . 174 269 57 GLU H H 8.210 . . 175 269 57 GLU C C 176.106 . . 176 269 57 GLU CA C 56.589 . . 177 269 57 GLU CB C 29.616 . . 178 269 57 GLU N N 121.393 . . 179 270 58 ASP H H 8.132 . . 180 270 58 ASP C C 175.880 . . 181 270 58 ASP CA C 54.214 . . 182 270 58 ASP CB C 40.769 . . 183 270 58 ASP N N 120.330 . . 184 271 59 GLU H H 8.012 . . 185 271 59 GLU C C 175.921 . . 186 271 59 GLU CA C 55.932 . . 187 271 59 GLU CB C 29.865 . . 188 271 59 GLU N N 120.532 . . 189 272 60 VAL H H 7.943 . . 190 272 60 VAL C C 174.352 . . 191 272 60 VAL CA C 59.348 . . 192 272 60 VAL CB C 31.957 . . 193 272 60 VAL N N 122.538 . . 194 273 61 PRO C C 176.081 . . 195 273 61 PRO CA C 62.673 . . 196 273 61 PRO CB C 31.378 . . 197 274 62 ASP H H 8.094 . . 198 274 62 ASP C C 176.138 . . 199 274 62 ASP CA C 53.653 . . 200 274 62 ASP CB C 40.862 . . 201 274 62 ASP N N 120.873 . . 202 275 63 ILE H H 7.851 . . 203 275 63 ILE C C 175.005 . . 204 275 63 ILE CA C 60.905 . . 205 275 63 ILE CB C 38.043 . . 206 275 63 ILE N N 120.653 . . 207 276 64 THR H H 8.030 . . 208 276 64 THR C C 173.876 . . 209 276 64 THR CA C 61.614 . . 210 276 64 THR CB C 69.333 . . 211 276 64 THR N N 115.840 . . 212 277 65 ASP H H 7.946 . . 213 277 65 ASP C C 174.886 . . 214 277 65 ASP CA C 51.819 . . 215 277 65 ASP CB C 41.158 . . 216 277 65 ASP N N 123.749 . . 217 280 68 PHE C C 177.482 . . 218 280 68 PHE CA C 59.708 . . 219 280 68 PHE CB C 37.919 . . 220 281 69 LEU H H 7.646 . . 221 281 69 LEU C C 178.129 . . 222 281 69 LEU CA C 57.334 . . 223 281 69 LEU CB C 40.953 . . 224 281 69 LEU N N 121.605 . . 225 282 70 ILE H H 7.905 . . 226 282 70 ILE C C 177.918 . . 227 282 70 ILE CA C 63.902 . . 228 282 70 ILE CB C 36.683 . . 229 282 70 ILE N N 118.897 . . 230 283 71 GLU H H 8.180 . . 231 283 71 GLU C C 178.684 . . 232 283 71 GLU CA C 59.143 . . 233 283 71 GLU CB C 28.123 . . 234 283 71 GLU N N 120.476 . . 235 284 72 THR H H 7.776 . . 236 284 72 THR C C 176.107 . . 237 284 72 THR CA C 66.790 . . 238 284 72 THR CB C 67.721 . . 239 284 72 THR N N 115.633 . . 240 285 73 LEU H H 8.039 . . 241 285 73 LEU C C 178.477 . . 242 285 73 LEU CA C 57.747 . . 243 285 73 LEU CB C 40.309 . . 244 285 73 LEU N N 121.216 . . 245 286 74 CYS H H 8.042 . . 246 286 74 CYS C C 177.087 . . 247 286 74 CYS CA C 63.309 . . 248 286 74 CYS CB C 26.272 . . 249 286 74 CYS N N 117.012 . . 250 287 75 ILE H H 7.890 . . 251 287 75 ILE C C 178.967 . . 252 287 75 ILE CA C 64.426 . . 253 287 75 ILE CB C 37.803 . . 254 287 75 ILE N N 120.920 . . 255 288 76 ILE H H 8.172 . . 256 288 76 ILE C C 177.344 . . 257 288 76 ILE CA C 65.305 . . 258 288 76 ILE CB C 36.785 . . 259 288 76 ILE N N 123.221 . . 260 289 77 TRP H H 8.429 . . 261 289 77 TRP C C 177.775 . . 262 289 77 TRP CA C 60.137 . . 263 289 77 TRP N N 121.114 . . 264 290 78 PHE H H 8.378 . . 265 290 78 PHE C C 177.877 . . 266 290 78 PHE CA C 60.441 . . 267 290 78 PHE CB C 38.310 . . 268 290 78 PHE N N 118.360 . . 269 291 79 THR H H 8.165 . . 270 291 79 THR C C 177.772 . . 271 291 79 THR CA C 66.822 . . 272 291 79 THR N N 115.880 . . 273 292 80 PHE C C 176.385 . . 274 292 80 PHE CA C 57.223 . . 275 293 81 GLU H H 8.215 . . 276 293 81 GLU C C 178.708 . . 277 293 81 GLU CA C 59.241 . . 278 293 81 GLU CB C 28.181 . . 279 293 81 GLU N N 119.360 . . 280 294 82 LEU C C 178.594 . . 281 294 82 LEU CA C 57.397 . . 282 295 83 THR H H 7.770 . . 283 295 83 THR C C 176.367 . . 284 295 83 THR CA C 67.283 . . 285 295 83 THR N N 116.137 . . 286 296 84 VAL H H 7.875 . . 287 296 84 VAL C C 177.896 . . 288 296 84 VAL CA C 66.277 . . 289 296 84 VAL CB C 30.502 . . 290 296 84 VAL N N 120.292 . . 291 297 85 ARG H H 7.676 . . 292 297 85 ARG C C 178.780 . . 293 297 85 ARG CA C 58.873 . . 294 297 85 ARG CB C 29.469 . . 295 297 85 ARG N N 119.045 . . 296 298 86 PHE C C 177.298 . . 297 298 86 PHE CA C 60.246 . . 298 299 87 LEU H H 8.121 . . 299 299 87 LEU C C 177.581 . . 300 299 87 LEU CA C 56.785 . . 301 299 87 LEU N N 118.178 . . 302 300 88 ALA H H 7.557 . . 303 300 88 ALA C C 177.207 . . 304 300 88 ALA CA C 51.914 . . 305 300 88 ALA CB C 18.335 . . 306 300 88 ALA N N 119.298 . . 307 301 89 CYS H H 7.391 . . 308 301 89 CYS C C 173.731 . . 309 301 89 CYS CA C 56.774 . . 310 301 89 CYS CB C 26.849 . . 311 301 89 CYS N N 120.175 . . 312 303 91 ASN C C 176.135 . . 313 303 91 ASN CA C 55.935 . . 314 303 91 ASN CB C 40.744 . . 315 304 92 LYS H H 8.243 . . 316 304 92 LYS C C 176.009 . . 317 304 92 LYS CA C 56.047 . . 318 304 92 LYS CB C 29.849 . . 319 304 92 LYS N N 122.588 . . 320 305 93 LEU H H 8.156 . . 321 305 93 LEU C C 178.514 . . 322 305 93 LEU CA C 57.118 . . 323 305 93 LEU CB C 40.872 . . 324 305 93 LEU N N 121.338 . . 325 306 94 ASN H H 7.964 . . 326 306 94 ASN C C 176.916 . . 327 306 94 ASN CA C 55.451 . . 328 306 94 ASN CB C 37.536 . . 329 306 94 ASN N N 118.485 . . 330 307 95 PHE H H 7.762 . . 331 307 95 PHE C C 176.893 . . 332 307 95 PHE CA C 60.312 . . 333 307 95 PHE CB C 38.465 . . 334 307 95 PHE N N 119.746 . . 335 308 96 CYS H H 7.805 . . 336 308 96 CYS C C 175.839 . . 337 308 96 CYS CA C 62.630 . . 338 308 96 CYS CB C 27.221 . . 339 308 96 CYS N N 116.541 . . 340 309 97 ARG H H 7.898 . . 341 309 97 ARG C C 177.835 . . 342 309 97 ARG CA C 58.802 . . 343 309 97 ARG CB C 29.181 . . 344 309 97 ARG N N 119.088 . . 345 310 98 ASP H H 7.904 . . 346 310 98 ASP C C 178.758 . . 347 310 98 ASP CA C 56.550 . . 348 310 98 ASP CB C 39.582 . . 349 310 98 ASP N N 119.388 . . 350 311 99 VAL H H 7.709 . . 351 311 99 VAL C C 177.140 . . 352 311 99 VAL CA C 65.146 . . 353 311 99 VAL CB C 31.124 . . 354 311 99 VAL N N 119.143 . . 355 312 100 MET H H 7.755 . . 356 312 100 MET C C 176.877 . . 357 312 100 MET CA C 57.161 . . 358 312 100 MET CB C 31.433 . . 359 312 100 MET N N 117.366 . . 360 313 101 ASN H H 7.690 . . 361 313 101 ASN C C 176.471 . . 362 313 101 ASN CA C 54.288 . . 363 313 101 ASN CB C 38.581 . . 364 313 101 ASN N N 115.649 . . 365 314 102 VAL H H 7.632 . . 366 314 102 VAL C C 176.079 . . 367 314 102 VAL CA C 63.413 . . 368 314 102 VAL CB C 31.667 . . 369 314 102 VAL N N 117.038 . . 370 315 103 ILE H H 7.527 . . 371 315 103 ILE C C 174.773 . . 372 315 103 ILE CA C 60.924 . . 373 315 103 ILE CB C 38.014 . . 374 315 103 ILE N N 118.533 . . 375 316 104 ASP H H 7.892 . . 376 316 104 ASP C C 176.980 . . 377 316 104 ASP CA C 53.250 . . 378 316 104 ASP CB C 39.693 . . 379 316 104 ASP N N 123.021 . . 380 317 105 ILE H H 8.009 . . 381 317 105 ILE C C 176.823 . . 382 317 105 ILE CA C 62.791 . . 383 317 105 ILE CB C 37.586 . . 384 317 105 ILE N N 121.571 . . 385 318 106 ILE H H 7.765 . . 386 318 106 ILE C C 177.377 . . 387 318 106 ILE CA C 62.779 . . 388 318 106 ILE CB C 36.136 . . 389 318 106 ILE N N 118.799 . . 390 319 107 ALA H H 7.464 . . 391 319 107 ALA C C 178.743 . . 392 319 107 ALA CA C 53.213 . . 393 319 107 ALA CB C 18.263 . . 394 319 107 ALA N N 120.896 . . 395 320 108 ILE H H 7.503 . . 396 320 108 ILE C C 176.720 . . 397 320 108 ILE CA C 61.784 . . 398 320 108 ILE CB C 38.223 . . 399 320 108 ILE N N 114.323 . . 400 321 109 ILE H H 7.693 . . 401 321 109 ILE C C 174.859 . . 402 321 109 ILE CA C 66.236 . . 403 321 109 ILE CB C 34.998 . . 404 321 109 ILE N N 121.081 . . 405 322 110 PRO C C 178.671 . . 406 322 110 PRO CA C 65.762 . . 407 322 110 PRO CB C 30.383 . . 408 323 111 TYR H H 7.376 . . 409 323 111 TYR C C 177.648 . . 410 323 111 TYR CA C 60.808 . . 411 323 111 TYR CB C 37.299 . . 412 323 111 TYR N N 117.012 . . 413 324 112 PHE H H 7.937 . . 414 324 112 PHE C C 177.235 . . 415 324 112 PHE CA C 60.690 . . 416 324 112 PHE CB C 38.440 . . 417 324 112 PHE N N 118.386 . . 418 325 113 ILE H H 8.040 . . 419 325 113 ILE C C 178.585 . . 420 325 113 ILE CA C 64.438 . . 421 325 113 ILE CB C 36.625 . . 422 325 113 ILE N N 118.716 . . 423 326 114 THR H H 7.942 . . 424 326 114 THR C C 176.190 . . 425 326 114 THR CA C 66.142 . . 426 326 114 THR CB C 68.244 . . 427 326 114 THR N N 117.559 . . 428 327 115 LEU H H 7.714 . . 429 327 115 LEU C C 177.745 . . 430 327 115 LEU CA C 57.400 . . 431 327 115 LEU CB C 40.977 . . 432 327 115 LEU N N 122.231 . . 433 328 116 ALA H H 8.001 . . 434 328 116 ALA C C 178.526 . . 435 328 116 ALA CA C 54.207 . . 436 328 116 ALA CB C 17.924 . . 437 328 116 ALA N N 119.279 . . 438 329 117 THR H H 7.726 . . 439 329 117 THR C C 175.717 . . 440 329 117 THR CA C 64.638 . . 441 329 117 THR CB C 68.882 . . 442 329 117 THR N N 111.042 . . 443 330 118 VAL H H 7.748 . . 444 330 118 VAL C C 177.640 . . 445 330 118 VAL CA C 64.532 . . 446 330 118 VAL CB C 31.311 . . 447 330 118 VAL N N 121.937 . . 448 331 119 VAL H H 7.791 . . 449 331 119 VAL C C 176.599 . . 450 331 119 VAL CA C 64.045 . . 451 331 119 VAL CB C 31.009 . . 452 331 119 VAL N N 119.519 . . 453 332 120 ALA H H 7.886 . . 454 332 120 ALA C C 178.397 . . 455 332 120 ALA CA C 53.146 . . 456 332 120 ALA CB C 18.404 . . 457 332 120 ALA N N 123.116 . . 458 333 121 GLU H H 7.885 . . 459 333 121 GLU C C 177.248 . . 460 333 121 GLU CA C 56.892 . . 461 333 121 GLU CB C 29.315 . . 462 333 121 GLU N N 118.256 . . 463 334 122 GLU H H 8.031 . . 464 334 122 GLU C C 176.878 . . 465 334 122 GLU CA C 56.327 . . 466 334 122 GLU CB C 29.406 . . 467 334 122 GLU N N 120.297 . . 468 335 123 GLU H H 8.162 . . 469 335 123 GLU C C 176.464 . . 470 335 123 GLU CA C 56.942 . . 471 335 123 GLU CB C 29.217 . . 472 335 123 GLU N N 121.106 . . 473 336 124 ASP H H 8.215 . . 474 336 124 ASP C C 176.630 . . 475 336 124 ASP CA C 54.649 . . 476 336 124 ASP CB C 40.616 . . 477 336 124 ASP N N 120.259 . . 478 337 125 THR H H 7.875 . . 479 337 125 THR C C 174.581 . . 480 337 125 THR CA C 62.213 . . 481 337 125 THR CB C 69.266 . . 482 337 125 THR N N 113.546 . . 483 338 126 LEU H H 7.912 . . 484 338 126 LEU C C 176.259 . . 485 338 126 LEU CA C 54.978 . . 486 338 126 LEU CB C 41.522 . . 487 338 126 LEU N N 122.813 . . 488 339 127 ASN H H 8.116 . . 489 339 127 ASN C C 174.286 . . 490 339 127 ASN CA C 52.527 . . 491 339 127 ASN CB C 38.642 . . 492 339 127 ASN N N 119.572 . . 493 340 128 LEU H H 7.934 . . 494 340 128 LEU C C 174.971 . . 495 340 128 LEU CA C 52.754 . . 496 340 128 LEU CB C 40.887 . . 497 340 128 LEU N N 122.464 . . 498 341 129 PRO C C 175.757 . . 499 341 129 PRO CA C 62.610 . . 500 342 130 LYS H H 7.969 . . 501 342 130 LYS C C 175.936 . . 502 342 130 LYS CA C 55.167 . . 503 342 130 LYS CB C 32.446 . . 504 342 130 LYS N N 119.913 . . 505 343 131 ALA H H 8.099 . . 506 343 131 ALA C C 175.743 . . 507 343 131 ALA CA C 49.925 . . 508 343 131 ALA CB C 17.786 . . 509 343 131 ALA N N 125.328 . . 510 344 132 PRO C C 176.116 . . 511 344 132 PRO CA C 62.764 . . 512 344 132 PRO CB C 30.791 . . 513 345 133 VAL H H 7.707 . . 514 345 133 VAL C C 175.389 . . 515 345 133 VAL CA C 61.067 . . 516 345 133 VAL CB C 32.540 . . 517 345 133 VAL N N 117.879 . . 518 346 134 SER H H 8.230 . . 519 346 134 SER C C 175.386 . . 520 346 134 SER CA C 55.631 . . 521 346 134 SER CB C 63.499 . . 522 346 134 SER N N 119.437 . . 523 347 135 PRO C C 177.019 . . 524 347 135 PRO CA C 63.481 . . 525 347 135 PRO CB C 31.107 . . 526 348 136 GLN H H 8.212 . . 527 348 136 GLN C C 175.876 . . 528 348 136 GLN CA C 56.059 . . 529 348 136 GLN CB C 28.543 . . 530 348 136 GLN N N 118.547 . . 531 349 137 ASP H H 7.965 . . 532 349 137 ASP C C 176.107 . . 533 349 137 ASP CA C 54.147 . . 534 349 137 ASP CB C 40.798 . . 535 349 137 ASP N N 120.616 . . 536 350 138 LYS H H 8.011 . . 537 350 138 LYS C C 176.847 . . 538 350 138 LYS CA C 56.307 . . 539 350 138 LYS CB C 31.969 . . 540 350 138 LYS N N 121.609 . . 541 351 139 SER H H 8.263 . . 542 351 139 SER C C 175.303 . . 543 351 139 SER CA C 58.813 . . 544 351 139 SER CB C 63.395 . . 545 351 139 SER N N 116.724 . . 546 352 140 SER H H 8.208 . . 547 352 140 SER C C 174.901 . . 548 352 140 SER CA C 59.138 . . 549 352 140 SER CB C 63.151 . . 550 352 140 SER N N 118.089 . . 551 353 141 ASN H H 8.271 . . 552 353 141 ASN C C 176.295 . . 553 353 141 ASN CA C 54.298 . . 554 353 141 ASN CB C 38.079 . . 555 353 141 ASN N N 120.810 . . 556 354 142 GLN H H 8.216 . . 557 354 142 GLN C C 176.911 . . 558 354 142 GLN CA C 57.389 . . 559 354 142 GLN CB C 28.070 . . 560 354 142 GLN N N 121.428 . . 561 355 143 ALA H H 8.129 . . 562 355 143 ALA C C 179.770 . . 563 355 143 ALA CA C 54.617 . . 564 355 143 ALA CB C 18.009 . . 565 355 143 ALA N N 123.026 . . 566 356 144 MET H H 8.271 . . 567 356 144 MET C C 177.574 . . 568 356 144 MET CA C 58.094 . . 569 356 144 MET CB C 32.137 . . 570 356 144 MET N N 117.520 . . 571 357 145 SER H H 7.980 . . 572 357 145 SER C C 176.027 . . 573 357 145 SER CA C 61.723 . . 574 357 145 SER CB C 62.816 . . 575 357 145 SER N N 114.788 . . 576 358 146 LEU H H 7.841 . . 577 358 146 LEU C C 179.328 . . 578 358 146 LEU CA C 57.270 . . 579 358 146 LEU CB C 40.691 . . 580 358 146 LEU N N 121.182 . . 581 359 147 ALA H H 7.851 . . 582 359 147 ALA C C 179.321 . . 583 359 147 ALA CA C 55.011 . . 584 359 147 ALA CB C 17.772 . . 585 359 147 ALA N N 122.285 . . 586 360 148 ILE H H 7.908 . . 587 360 148 ILE C C 177.808 . . 588 360 148 ILE CA C 64.453 . . 589 360 148 ILE CB C 36.833 . . 590 360 148 ILE N N 117.066 . . 591 361 149 LEU H H 8.001 . . 592 361 149 LEU C C 179.239 . . 593 361 149 LEU CA C 57.843 . . 594 361 149 LEU CB C 40.590 . . 595 361 149 LEU N N 119.954 . . 596 362 150 ARG H H 7.946 . . 597 362 150 ARG C C 178.937 . . 598 362 150 ARG CA C 59.060 . . 599 362 150 ARG CB C 29.084 . . 600 362 150 ARG N N 118.745 . . 601 363 151 VAL H H 7.810 . . 602 363 151 VAL C C 177.464 . . 603 363 151 VAL CA C 66.447 . . 604 363 151 VAL CB C 30.822 . . 605 363 151 VAL N N 119.484 . . 606 364 152 ILE H H 8.248 . . 607 364 152 ILE C C 177.567 . . 608 364 152 ILE CA C 65.336 . . 609 364 152 ILE CB C 36.625 . . 610 364 152 ILE N N 120.074 . . 611 365 153 ARG H H 7.992 . . 612 365 153 ARG C C 179.029 . . 613 365 153 ARG CA C 59.420 . . 614 365 153 ARG CB C 29.172 . . 615 365 153 ARG N N 118.700 . . 616 366 154 LEU H H 7.792 . . 617 366 154 LEU C C 179.485 . . 618 366 154 LEU CA C 57.550 . . 619 366 154 LEU CB C 41.139 . . 620 366 154 LEU N N 120.823 . . 621 367 155 VAL H H 8.226 . . 622 367 155 VAL C C 178.502 . . 623 367 155 VAL CA C 66.071 . . 624 367 155 VAL CB C 30.895 . . 625 367 155 VAL N N 118.381 . . 626 368 156 ARG H H 8.218 . . 627 368 156 ARG C C 176.925 . . 628 368 156 ARG CA C 58.269 . . 629 368 156 ARG CB C 29.331 . . 630 368 156 ARG N N 118.637 . . 631 369 157 SER H H 7.622 . . 632 369 157 SER C C 174.369 . . 633 369 157 SER CA C 58.907 . . 634 369 157 SER CB C 63.722 . . 635 369 157 SER N N 113.065 . . 636 370 158 SER H H 7.674 . . 637 370 158 SER C C 176.169 . . 638 370 158 SER CA C 58.961 . . 639 370 158 SER CB C 64.409 . . 640 370 158 SER N N 117.541 . . 641 371 159 ARG H H 7.694 . . 642 371 159 ARG C C 177.406 . . 643 371 159 ARG CA C 56.600 . . 644 371 159 ARG CB C 31.559 . . 645 371 159 ARG N N 119.977 . . 646 372 160 ILE C C 176.191 . . 647 372 160 ILE CA C 63.195 . . 648 373 161 PHE H H 7.506 . . 649 373 161 PHE C C 176.356 . . 650 373 161 PHE CA C 59.246 . . 651 373 161 PHE CB C 38.435 . . 652 373 161 PHE N N 118.925 . . 653 374 162 LYS H H 7.719 . . 654 374 162 LYS C C 177.743 . . 655 374 162 LYS CA C 57.204 . . 656 374 162 LYS CB C 31.686 . . 657 374 162 LYS N N 119.912 . . 658 375 163 LEU H H 7.930 . . 659 375 163 LEU C C 177.810 . . 660 375 163 LEU CA C 56.207 . . 661 375 163 LEU CB C 41.411 . . 662 375 163 LEU N N 120.762 . . 663 376 164 SER H H 7.938 . . 664 376 164 SER C C 175.439 . . 665 376 164 SER CA C 60.028 . . 666 376 164 SER CB C 63.222 . . 667 376 164 SER N N 114.265 . . 668 377 165 ARG H H 7.739 . . 669 377 165 ARG C C 176.252 . . 670 377 165 ARG CA C 56.958 . . 671 377 165 ARG CB C 29.072 . . 672 377 165 ARG N N 120.862 . . 673 378 166 HIS H H 7.780 . . 674 378 166 HIS C C 175.189 . . 675 378 166 HIS CA C 55.498 . . 676 378 166 HIS CB C 29.300 . . 677 378 166 HIS N N 117.104 . . 678 379 167 SER H H 7.636 . . 679 379 167 SER C C 175.813 . . 680 379 167 SER CA C 59.241 . . 681 379 167 SER CB C 63.468 . . 682 379 167 SER N N 115.775 . . 683 380 168 LYS H H 8.748 . . 684 380 168 LYS C C 178.837 . . 685 380 168 LYS CA C 58.410 . . 686 380 168 LYS CB C 31.110 . . 687 380 168 LYS N N 126.168 . . 688 381 169 GLY H H 8.591 . . 689 381 169 GLY C C 175.086 . . 690 381 169 GLY CA C 46.963 . . 691 381 169 GLY N N 106.886 . . 692 382 170 LEU H H 7.804 . . 693 382 170 LEU C C 178.833 . . 694 382 170 LEU CA C 57.304 . . 695 382 170 LEU CB C 40.585 . . 696 382 170 LEU N N 120.303 . . 697 383 171 GLN H H 7.852 . . 698 383 171 GLN C C 178.830 . . 699 383 171 GLN CA C 58.858 . . 700 383 171 GLN CB C 27.664 . . 701 383 171 GLN N N 118.917 . . 702 384 172 ILE H H 7.979 . . 703 384 172 ILE C C 179.066 . . 704 384 172 ILE CA C 64.294 . . 705 384 172 ILE CB C 37.158 . . 706 384 172 ILE N N 119.994 . . 707 385 173 LEU H H 8.082 . . 708 385 173 LEU C C 178.675 . . 709 385 173 LEU CA C 58.042 . . 710 385 173 LEU CB C 40.751 . . 711 385 173 LEU N N 123.093 . . 712 386 174 GLY H H 8.526 . . 713 386 174 GLY C C 175.316 . . 714 386 174 GLY CA C 47.444 . . 715 386 174 GLY N N 106.202 . . 716 387 175 ARG H H 8.074 . . 717 387 175 ARG C C 179.023 . . 718 387 175 ARG CA C 59.084 . . 719 387 175 ARG CB C 29.527 . . 720 387 175 ARG N N 120.787 . . 721 388 176 THR H H 7.998 . . 722 388 176 THR C C 176.538 . . 723 388 176 THR CA C 66.270 . . 724 388 176 THR CB C 68.256 . . 725 388 176 THR N N 117.299 . . 726 389 177 LEU H H 8.254 . . 727 389 177 LEU C C 178.443 . . 728 389 177 LEU CA C 57.638 . . 729 389 177 LEU CB C 40.750 . . 730 389 177 LEU N N 123.035 . . 731 390 178 LYS H H 7.999 . . 732 390 178 LYS C C 178.341 . . 733 390 178 LYS CA C 59.066 . . 734 390 178 LYS CB C 31.472 . . 735 390 178 LYS N N 118.571 . . 736 391 179 ALA H H 7.804 . . 737 391 179 ALA C C 179.637 . . 738 391 179 ALA CA C 54.076 . . 739 391 179 ALA CB C 17.847 . . 740 391 179 ALA N N 120.682 . . 741 392 180 SER H H 7.864 . . 742 392 180 SER C C 175.127 . . 743 392 180 SER CA C 60.936 . . 744 392 180 SER CB C 63.525 . . 745 392 180 SER N N 113.947 . . 746 393 181 MET H H 7.707 . . 747 393 181 MET C C 176.930 . . 748 393 181 MET CA C 56.503 . . 749 393 181 MET CB C 32.251 . . 750 393 181 MET N N 119.718 . . 751 394 182 ARG H H 7.653 . . 752 394 182 ARG C C 176.886 . . 753 394 182 ARG CA C 56.942 . . 754 394 182 ARG CB C 29.715 . . 755 394 182 ARG N N 119.195 . . 756 395 183 GLU H H 7.929 . . 757 395 183 GLU C C 176.577 . . 758 395 183 GLU CA C 56.309 . . 759 395 183 GLU CB C 29.152 . . 760 395 183 GLU N N 119.069 . . 761 396 184 LEU H H 7.746 . . 762 396 184 LEU C C 176.672 . . 763 396 184 LEU CA C 54.982 . . 764 396 184 LEU CB C 41.718 . . 765 396 184 LEU N N 121.418 . . 766 397 185 GLY H H 7.626 . . 767 397 185 GLY C C 178.834 . . 768 397 185 GLY CA C 45.888 . . 769 397 185 GLY N N 114.382 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' stop_ loop_ _Sample_label $15N-13C-D_S2bot stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Shaker-VSD(S2bot_mutant) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 217 5 PHE H H 8.000 . . 2 217 5 PHE C C 175.167 . . 3 217 5 PHE CA C 57.167 . . 4 217 5 PHE CB C 40.805 . . 5 217 5 PHE N N 120.257 . . 6 218 6 GLU H H 8.201 . . 7 218 6 GLU C C 174.609 . . 8 218 6 GLU CA C 55.768 . . 9 218 6 GLU CB C 29.915 . . 10 218 6 GLU N N 122.415 . . 11 264 52 GLY C C 174.770 . . 12 264 52 GLY CA C 45.271 . . 13 265 53 THR H H 8.113 . . 14 265 53 THR C C 174.605 . . 15 265 53 THR CA C 61.969 . . 16 265 53 THR CB C 69.418 . . 17 265 53 THR N N 114.404 . . 18 266 54 LYS H H 8.077 . . 19 266 54 LYS C C 176.202 . . 20 266 54 LYS CA C 60.848 . . 21 266 54 LYS CB C 32.160 . . 22 266 54 LYS N N 124.372 . . 23 267 55 ILE H H 7.994 . . 24 267 55 ILE C C 176.209 . . 25 267 55 ILE CA C 60.879 . . 26 267 55 ILE CB C 37.916 . . 27 267 55 ILE N N 122.559 . . 28 268 56 GLU H H 8.295 . . 29 268 56 GLU C C 176.388 . . 30 268 56 GLU CA C 56.210 . . 31 268 56 GLU CB C 29.493 . . 32 268 56 GLU N N 124.387 . . 33 270 58 ASP C C 175.911 . . 34 270 58 ASP CA C 54.215 . . 35 270 58 ASP CB C 40.762 . . 36 271 59 GLU H H 8.027 . . 37 271 59 GLU C C 175.911 . . 38 271 59 GLU CA C 55.902 . . 39 271 59 GLU CB C 29.874 . . 40 271 59 GLU N N 120.679 . . 41 380 168 LYS C C 178.796 . . 42 380 168 LYS CA C 58.375 . . 43 381 169 GLY H H 8.553 . . 44 381 169 GLY C C 175.069 . . 45 381 169 GLY CA C 46.936 . . 46 381 169 GLY N N 106.791 . . 47 382 170 LEU H H 7.779 . . 48 382 170 LEU C C 178.820 . . 49 382 170 LEU CA C 57.293 . . 50 382 170 LEU CB C 40.541 . . 51 382 170 LEU N N 120.253 . . stop_ save_