data_27886 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Shaker-VSD ; _BMRB_accession_number 27886 _BMRB_flat_file_name bmr27886.str _Entry_type original _Submission_date 2019-04-30 _Accession_date 2019-04-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shift assignment of isolated Shaker-VSD in LPPG micelles.' 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" 168 "13C chemical shifts" 524 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-23 update BMRB 'update entry citation' 2019-05-30 original author 'original release' stop_ _Original_release_date 2019-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structural Analysis of Isolated Shaker Voltage-Sensing Domain in LPPG Micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31301804 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Hongbo . . 2 Pan Junkun . . 3 Gandhi Disha . . 4 Dockendorff Christopher . . 5 Cui Qiang . . 6 Chanda Baron . . 7 Henzler-Wildman Katherine . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 117 _Journal_issue 2 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 388 _Page_last 398 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Shaker-VSD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Shaker-VSD $Shaker-VSD 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Shaker-VSD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; GGGGFEYPESSQAARVVAII SVFVILLSIVIFCLETLPEF KHYKVFNTTTNGTKIEEDEV PDITDPFFLIETLCIIWFTF ELTVRFLACPNKLNFCRDVM NVIDIIAIIPYFITLATVVA EEEDTLNLPKAPVSPQDKSS NQAMSLAILRVIRLVRVFRI 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 VAL 158 370 PHE 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 . . . . . . 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 'recombinant technology' . Escherichia coli BL21 pet15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N-13C-D labeled Shaker-VSD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Shaker-VSD 0.3 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 'sodium azide' 0.05 % 'natural abundance' TCEP 4 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' MOPS 100 mM 'natural abundance' LPPG ~40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M 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_WT_Shaker-VSD_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 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Shaker-VSD _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 1 216 4 GLY C C 173.508 . . 2 216 4 GLY CA C 44.701 . . 3 217 5 PHE H H 7.918 . . 4 217 5 PHE C C 174.679 . . 5 217 5 PHE CA C 57.254 . . 6 217 5 PHE CB C 39.068 . . 7 217 5 PHE N N 120.446 . . 8 218 6 GLU H H 7.864 . . 9 218 6 GLU C C 174.947 . . 10 218 6 GLU CA C 54.975 . . 11 218 6 GLU CB C 30.091 . . 12 218 6 GLU N N 123.249 . . 13 219 7 TYR H H 7.959 . . 14 219 7 TYR C C 174.115 . . 15 219 7 TYR CA C 55.812 . . 16 219 7 TYR CB C 37.095 . . 17 219 7 TYR N N 122.077 . . 18 220 8 PRO C C 176.139 . . 19 220 8 PRO CA C 62.666 . . 20 220 8 PRO CB C 31.006 . . 21 221 9 GLU H H 8.263 . . 22 221 9 GLU C C 177.035 . . 23 221 9 GLU CA C 56.560 . . 24 221 9 GLU CB C 29.275 . . 25 221 9 GLU N N 120.550 . . 26 222 10 SER H H 8.196 . . 27 222 10 SER C C 175.187 . . 28 222 10 SER CA C 59.049 . . 29 222 10 SER N N 116.632 . . 30 223 11 SER H H 7.755 . . 31 223 11 SER C C 174.716 . . 32 223 11 SER CA C 57.264 . . 33 223 11 SER N N 120.664 . . 34 224 12 GLN H H 7.876 . . 35 224 12 GLN C C 175.116 . . 36 224 12 GLN CA C 55.098 . . 37 224 12 GLN CB C 30.060 . . 38 224 12 GLN N N 122.880 . . 39 225 13 ALA H H 7.857 . . 40 225 13 ALA C C 175.554 . . 41 225 13 ALA CA C 49.935 . . 42 225 13 ALA CB C 18.404 . . 43 225 13 ALA N N 124.038 . . 44 231 19 ILE C C 173.306 . . 45 231 19 ILE CA C 54.785 . . 46 232 20 ILE H H 7.590 . . 47 232 20 ILE C C 175.183 . . 48 232 20 ILE CA C 59.021 . . 49 232 20 ILE N N 126.426 . . 50 233 21 SER H H 8.331 . . 51 233 21 SER CA C 59.367 . . 52 233 21 SER CB C 63.262 . . 53 233 21 SER N N 118.228 . . 54 234 22 VAL C C 177.184 . . 55 234 22 VAL CA C 66.557 . . 56 235 23 PHE H H 7.982 . . 57 235 23 PHE C C 176.862 . . 58 235 23 PHE CA C 61.741 . . 59 235 23 PHE N N 119.244 . . 60 236 24 VAL H H 8.445 . . 61 236 24 VAL C C 178.629 . . 62 236 24 VAL CA C 66.597 . . 63 236 24 VAL CB C 30.593 . . 64 236 24 VAL N N 118.132 . . 65 240 28 SER C C 177.520 . . 66 240 28 SER CA C 59.088 . . 67 241 29 ILE H H 8.236 . . 68 241 29 ILE C C 178.126 . . 69 241 29 ILE CA C 65.168 . . 70 241 29 ILE N N 118.735 . . 71 242 30 VAL H H 8.160 . . 72 242 30 VAL C C 177.583 . . 73 242 30 VAL CA C 67.452 . . 74 242 30 VAL N N 121.109 . . 75 243 31 ILE H H 8.398 . . 76 243 31 ILE C C 177.523 . . 77 243 31 ILE CA C 65.201 . . 78 243 31 ILE CB C 36.246 . . 79 243 31 ILE N N 118.951 . . 80 244 32 PHE C C 178.711 . . 81 244 32 PHE CA C 61.763 . . 82 245 33 CYS H H 8.504 . . 83 245 33 CYS C C 176.577 . . 84 245 33 CYS CA C 64.193 . . 85 245 33 CYS N N 118.710 . . 86 246 34 LEU H H 8.315 . . 87 246 34 LEU C C 178.399 . . 88 246 34 LEU CA C 57.469 . . 89 246 34 LEU CB C 40.605 . . 90 246 34 LEU N N 119.626 . . 91 252 40 PHE C C 176.257 . . 92 252 40 PHE CA C 58.227 . . 93 252 40 PHE CB C 38.504 . . 94 253 41 LYS H H 7.656 . . 95 253 41 LYS C C 176.965 . . 96 253 41 LYS CA C 57.096 . . 97 253 41 LYS CB C 31.377 . . 98 253 41 LYS N N 118.768 . . 99 254 42 HIS C C 174.765 . . 100 254 42 HIS CA C 55.602 . . 101 254 42 HIS CB C 28.669 . . 102 255 43 TYR H H 7.631 . . 103 255 43 TYR C C 175.390 . . 104 255 43 TYR CA C 58.040 . . 105 255 43 TYR CB C 37.829 . . 106 255 43 TYR N N 119.952 . . 107 256 44 LYS H H 7.831 . . 108 256 44 LYS C C 176.337 . . 109 256 44 LYS CA C 56.197 . . 110 256 44 LYS CB C 31.519 . . 111 256 44 LYS N N 121.964 . . 112 257 45 VAL H H 7.613 . . 113 257 45 VAL C C 175.311 . . 114 257 45 VAL CA C 62.779 . . 115 257 45 VAL CB C 31.501 . . 116 257 45 VAL N N 118.587 . . 117 258 46 PHE H H 7.712 . . 118 258 46 PHE C C 175.212 . . 119 258 46 PHE CA C 56.975 . . 120 258 46 PHE CB C 38.656 . . 121 258 46 PHE N N 118.906 . . 122 259 47 ASN H H 8.179 . . 123 259 47 ASN C C 175.114 . . 124 259 47 ASN CA C 52.968 . . 125 259 47 ASN CB C 38.837 . . 126 259 47 ASN N N 119.731 . . 127 260 48 THR H H 8.060 . . 128 260 48 THR C C 174.782 . . 129 260 48 THR CA C 61.458 . . 130 260 48 THR CB C 69.245 . . 131 260 48 THR N N 114.577 . . 132 261 49 THR H H 8.075 . . 133 261 49 THR C C 174.587 . . 134 261 49 THR CA C 61.517 . . 135 261 49 THR CB C 69.350 . . 136 261 49 THR N N 116.411 . . 137 262 50 THR H H 8.058 . . 138 262 50 THR C C 173.519 . . 139 262 50 THR CA C 61.272 . . 140 262 50 THR CB C 69.420 . . 141 262 50 THR N N 116.493 . . 142 263 51 ASN H H 7.963 . . 143 263 51 ASN C C 175.648 . . 144 263 51 ASN CA C 54.416 . . 145 263 51 ASN CB C 40.544 . . 146 263 51 ASN N N 126.592 . . 147 264 52 GLY H H 8.210 . . 148 264 52 GLY C C 174.230 . . 149 264 52 GLY CA C 45.164 . . 150 264 52 GLY N N 109.773 . . 151 265 53 THR H H 7.880 . . 152 265 53 THR C C 174.285 . . 153 265 53 THR CA C 61.739 . . 154 265 53 THR CB C 69.344 . . 155 265 53 THR N N 114.456 . . 156 266 54 LYS H H 8.153 . . 157 266 54 LYS C C 176.156 . . 158 266 54 LYS CA C 55.827 . . 159 266 54 LYS CB C 32.029 . . 160 266 54 LYS N N 124.471 . . 161 267 55 ILE H H 8.063 . . 162 267 55 ILE C C 176.207 . . 163 267 55 ILE CA C 60.866 . . 164 267 55 ILE CB C 37.711 . . 165 267 55 ILE N N 122.905 . . 166 268 56 GLU H H 8.315 . . 167 268 56 GLU C C 176.428 . . 168 268 56 GLU CA C 56.176 . . 169 268 56 GLU CB C 29.411 . . 170 268 56 GLU N N 124.421 . . 171 269 57 GLU H H 8.212 . . 172 269 57 GLU C C 176.100 . . 173 269 57 GLU CA C 56.679 . . 174 269 57 GLU CB C 29.501 . . 175 269 57 GLU N N 121.378 . . 176 270 58 ASP H H 8.137 . . 177 270 58 ASP C C 175.885 . . 178 270 58 ASP CA C 54.206 . . 179 270 58 ASP CB C 40.713 . . 180 270 58 ASP N N 120.426 . . 181 271 59 GLU H H 8.014 . . 182 271 59 GLU C C 175.913 . . 183 271 59 GLU CA C 55.889 . . 184 271 59 GLU CB C 29.553 . . 185 271 59 GLU N N 120.542 . . 186 272 60 VAL H H 7.948 . . 187 272 60 VAL HG1 H 0.907 . . 188 272 60 VAL C C 174.293 . . 189 272 60 VAL CA C 59.374 . . 190 272 60 VAL CB C 31.791 . . 191 272 60 VAL CG1 C 20.330 . . 192 272 60 VAL N N 122.577 . . 193 273 61 PRO C C 176.076 . . 194 273 61 PRO CA C 62.641 . . 195 273 61 PRO CB C 31.293 . . 196 274 62 ASP H H 8.097 . . 197 274 62 ASP C C 176.138 . . 198 274 62 ASP CA C 53.687 . . 199 274 62 ASP CB C 40.695 . . 200 274 62 ASP N N 120.909 . . 201 275 63 ILE H H 7.855 . . 202 275 63 ILE C C 174.965 . . 203 275 63 ILE CA C 60.787 . . 204 275 63 ILE CB C 37.548 . . 205 275 63 ILE N N 120.664 . . 206 276 64 THR H H 8.032 . . 207 276 64 THR C C 173.851 . . 208 276 64 THR CA C 61.642 . . 209 276 64 THR CB C 69.181 . . 210 276 64 THR N N 115.841 . . 211 277 65 ASP H H 7.949 . . 212 277 65 ASP C C 174.924 . . 213 277 65 ASP CA C 51.840 . . 214 277 65 ASP CB C 41.012 . . 215 277 65 ASP N N 123.745 . . 216 280 68 PHE C C 177.515 . . 217 280 68 PHE CA C 59.637 . . 218 281 69 LEU H H 7.638 . . 219 281 69 LEU C C 178.127 . . 220 281 69 LEU CA C 57.332 . . 221 281 69 LEU CB C 40.837 . . 222 281 69 LEU N N 121.542 . . 223 282 70 ILE H H 7.906 . . 224 282 70 ILE C C 177.956 . . 225 282 70 ILE CA C 63.900 . . 226 282 70 ILE CB C 36.432 . . 227 282 70 ILE N N 118.906 . . 228 283 71 GLU H H 8.185 . . 229 283 71 GLU C C 178.667 . . 230 283 71 GLU CA C 59.197 . . 231 283 71 GLU CB C 28.062 . . 232 283 71 GLU N N 120.483 . . 233 284 72 THR H H 7.779 . . 234 284 72 THR C C 176.100 . . 235 284 72 THR CA C 66.871 . . 236 284 72 THR CB C 67.634 . . 237 284 72 THR N N 115.700 . . 238 285 73 LEU H H 8.037 . . 239 285 73 LEU C C 178.493 . . 240 285 73 LEU CA C 57.658 . . 241 285 73 LEU CB C 40.317 . . 242 285 73 LEU N N 121.246 . . 243 286 74 CYS H H 8.047 . . 244 286 74 CYS C C 177.087 . . 245 286 74 CYS CA C 63.412 . . 246 286 74 CYS N N 116.988 . . 247 287 75 ILE H H 7.891 . . 248 287 75 ILE C C 178.979 . . 249 287 75 ILE CA C 64.340 . . 250 287 75 ILE CB C 36.509 . . 251 287 75 ILE N N 120.927 . . 252 288 76 ILE H H 8.177 . . 253 288 76 ILE C C 177.351 . . 254 288 76 ILE CA C 65.301 . . 255 288 76 ILE CB C 36.557 . . 256 288 76 ILE N N 123.257 . . 257 289 77 TRP H H 8.440 . . 258 289 77 TRP HE1 H 9.881 . . 259 289 77 TRP C C 177.769 . . 260 289 77 TRP CA C 60.085 . . 261 289 77 TRP N N 121.120 . . 262 289 77 TRP NE1 N 128.801 . . 263 290 78 PHE H H 8.385 . . 264 290 78 PHE C C 177.853 . . 265 290 78 PHE CA C 60.489 . . 266 290 78 PHE N N 118.300 . . 267 291 79 THR H H 8.167 . . 268 291 79 THR CA C 66.863 . . 269 291 79 THR N N 115.844 . . 270 292 80 PHE C C 176.377 . . 271 292 80 PHE CA C 60.822 . . 272 293 81 GLU H H 8.216 . . 273 293 81 GLU C C 178.722 . . 274 293 81 GLU CA C 59.302 . . 275 293 81 GLU CB C 27.843 . . 276 293 81 GLU N N 119.349 . . 277 294 82 LEU C C 178.608 . . 278 294 82 LEU CA C 59.268 . . 279 295 83 THR H H 7.767 . . 280 295 83 THR C C 176.354 . . 281 295 83 THR CA C 67.205 . . 282 295 83 THR N N 115.941 . . 283 296 84 VAL H H 7.884 . . 284 296 84 VAL C C 177.880 . . 285 296 84 VAL CA C 66.227 . . 286 296 84 VAL CB C 30.594 . . 287 296 84 VAL N N 120.276 . . 288 297 85 ARG H H 7.678 . . 289 297 85 ARG C C 178.762 . . 290 297 85 ARG CA C 58.794 . . 291 297 85 ARG CB C 29.296 . . 292 297 85 ARG N N 119.003 . . 293 298 86 PHE C C 177.286 . . 294 298 86 PHE CA C 60.155 . . 295 299 87 LEU H H 8.129 . . 296 299 87 LEU C C 177.590 . . 297 299 87 LEU CA C 56.787 . . 298 299 87 LEU N N 118.179 . . 299 300 88 ALA H H 7.565 . . 300 300 88 ALA C C 177.226 . . 301 300 88 ALA CA C 51.891 . . 302 300 88 ALA CB C 18.306 . . 303 300 88 ALA N N 119.193 . . 304 301 89 CYS H H 7.392 . . 305 301 89 CYS C C 173.751 . . 306 301 89 CYS CA C 56.782 . . 307 301 89 CYS CB C 27.126 . . 308 301 89 CYS N N 120.143 . . 309 303 91 ASN C C 176.140 . . 310 303 91 ASN CA C 55.927 . . 311 303 91 ASN CB C 40.546 . . 312 304 92 LYS H H 8.246 . . 313 304 92 LYS C C 176.326 . . 314 304 92 LYS CA C 56.164 . . 315 304 92 LYS CB C 29.745 . . 316 304 92 LYS N N 122.571 . . 317 305 93 LEU H H 8.160 . . 318 305 93 LEU C C 178.490 . . 319 305 93 LEU CA C 57.038 . . 320 305 93 LEU CB C 40.685 . . 321 305 93 LEU N N 121.334 . . 322 306 94 ASN H H 7.970 . . 323 306 94 ASN C C 176.909 . . 324 306 94 ASN CA C 55.457 . . 325 306 94 ASN CB C 37.282 . . 326 306 94 ASN N N 118.503 . . 327 307 95 PHE H H 7.766 . . 328 307 95 PHE C C 176.891 . . 329 307 95 PHE CA C 60.269 . . 330 307 95 PHE CB C 38.320 . . 331 307 95 PHE N N 119.728 . . 332 308 96 CYS H H 7.801 . . 333 308 96 CYS C C 175.821 . . 334 308 96 CYS CA C 62.631 . . 335 308 96 CYS CB C 26.880 . . 336 308 96 CYS N N 116.523 . . 337 309 97 ARG H H 7.899 . . 338 309 97 ARG C C 177.809 . . 339 309 97 ARG CA C 57.080 . . 340 309 97 ARG CB C 29.031 . . 341 309 97 ARG N N 119.053 . . 342 310 98 ASP H H 7.908 . . 343 310 98 ASP C C 178.765 . . 344 310 98 ASP CA C 56.510 . . 345 310 98 ASP CB C 39.425 . . 346 310 98 ASP N N 119.374 . . 347 311 99 VAL H H 7.710 . . 348 311 99 VAL C C 177.156 . . 349 311 99 VAL CA C 65.154 . . 350 311 99 VAL CB C 30.681 . . 351 311 99 VAL N N 119.151 . . 352 312 100 MET H H 7.754 . . 353 312 100 MET C C 176.852 . . 354 312 100 MET CA C 57.126 . . 355 312 100 MET CB C 31.223 . . 356 312 100 MET N N 117.355 . . 357 313 101 ASN H H 7.691 . . 358 313 101 ASN C C 176.456 . . 359 313 101 ASN CA C 54.279 . . 360 313 101 ASN CB C 38.497 . . 361 313 101 ASN N N 115.631 . . 362 314 102 VAL H H 7.634 . . 363 314 102 VAL C C 176.075 . . 364 314 102 VAL CA C 63.426 . . 365 314 102 VAL CB C 31.653 . . 366 314 102 VAL N N 117.029 . . 367 315 103 ILE H H 7.734 . . 368 315 103 ILE C C 174.749 . . 369 315 103 ILE CA C 60.879 . . 370 315 103 ILE CB C 37.732 . . 371 315 103 ILE N N 118.519 . . 372 316 104 ASP H H 7.892 . . 373 316 104 ASP C C 176.964 . . 374 316 104 ASP CA C 53.219 . . 375 316 104 ASP CB C 39.661 . . 376 316 104 ASP N N 121.109 . . 377 317 105 ILE H H 8.013 . . 378 317 105 ILE C C 176.800 . . 379 317 105 ILE CA C 62.799 . . 380 317 105 ILE CB C 40.569 . . 381 317 105 ILE N N 121.574 . . 382 318 106 ILE H H 7.766 . . 383 318 106 ILE C C 177.401 . . 384 318 106 ILE CA C 62.783 . . 385 318 106 ILE CB C 35.925 . . 386 318 106 ILE N N 118.773 . . 387 319 107 ALA H H 7.462 . . 388 319 107 ALA C C 178.753 . . 389 319 107 ALA CA C 53.203 . . 390 319 107 ALA CB C 18.117 . . 391 319 107 ALA N N 120.854 . . 392 320 108 ILE H H 7.504 . . 393 320 108 ILE C C 176.717 . . 394 320 108 ILE CA C 61.771 . . 395 320 108 ILE CB C 38.133 . . 396 320 108 ILE N N 114.323 . . 397 321 109 ILE H H 7.691 . . 398 321 109 ILE C C 174.867 . . 399 321 109 ILE CA C 66.255 . . 400 321 109 ILE CB C 34.860 . . 401 321 109 ILE N N 121.059 . . 402 322 110 PRO C C 178.690 . . 403 322 110 PRO CA C 65.716 . . 404 322 110 PRO CB C 30.175 . . 405 323 111 TYR H H 7.378 . . 406 323 111 TYR C C 177.651 . . 407 323 111 TYR CA C 60.791 . . 408 323 111 TYR CB C 37.127 . . 409 323 111 TYR N N 117.019 . . 410 324 112 PHE H H 7.942 . . 411 324 112 PHE C C 177.238 . . 412 324 112 PHE CA C 60.634 . . 413 324 112 PHE CB C 38.339 . . 414 324 112 PHE N N 118.351 . . 415 325 113 ILE H H 8.046 . . 416 325 113 ILE C C 178.583 . . 417 325 113 ILE CA C 64.426 . . 418 325 113 ILE CB C 36.396 . . 419 325 113 ILE N N 118.731 . . 420 326 114 THR H H 7.944 . . 421 326 114 THR C C 176.182 . . 422 326 114 THR CA C 66.154 . . 423 326 114 THR CB C 68.183 . . 424 326 114 THR N N 117.529 . . 425 327 115 LEU H H 7.717 . . 426 327 115 LEU C C 177.747 . . 427 327 115 LEU CA C 57.343 . . 428 327 115 LEU CB C 40.779 . . 429 327 115 LEU N N 122.237 . . 430 328 116 ALA H H 8.007 . . 431 328 116 ALA C C 178.529 . . 432 328 116 ALA CA C 54.211 . . 433 328 116 ALA CB C 17.822 . . 434 328 116 ALA N N 119.278 . . 435 329 117 THR H H 7.728 . . 436 329 117 THR C C 175.714 . . 437 329 117 THR CA C 64.699 . . 438 329 117 THR CB C 68.977 . . 439 329 117 THR N N 111.036 . . 440 330 118 VAL H H 7.750 . . 441 330 118 VAL C C 177.639 . . 442 330 118 VAL CA C 64.527 . . 443 330 118 VAL CB C 31.133 . . 444 330 118 VAL N N 121.909 . . 445 331 119 VAL H H 7.792 . . 446 331 119 VAL C C 176.617 . . 447 331 119 VAL CA C 64.109 . . 448 331 119 VAL CB C 30.967 . . 449 331 119 VAL N N 119.471 . . 450 332 120 ALA H H 7.881 . . 451 332 120 ALA C C 178.355 . . 452 332 120 ALA CA C 53.133 . . 453 332 120 ALA CB C 18.157 . . 454 332 120 ALA N N 123.087 . . 455 333 121 GLU H H 7.879 . . 456 333 121 GLU C C 177.216 . . 457 333 121 GLU CA C 56.891 . . 458 333 121 GLU CB C 29.288 . . 459 333 121 GLU N N 118.187 . . 460 334 122 GLU H H 8.032 . . 461 334 122 GLU C C 176.859 . . 462 334 122 GLU CA C 56.184 . . 463 334 122 GLU CB C 29.448 . . 464 334 122 GLU N N 120.275 . . 465 335 123 GLU H H 8.163 . . 466 335 123 GLU C C 176.450 . . 467 335 123 GLU CA C 56.936 . . 468 335 123 GLU CB C 29.078 . . 469 335 123 GLU N N 121.099 . . 470 336 124 ASP H H 8.227 . . 471 336 124 ASP C C 176.618 . . 472 336 124 ASP CA C 54.619 . . 473 336 124 ASP CB C 40.578 . . 474 336 124 ASP N N 120.260 . . 475 337 125 THR H H 7.879 . . 476 337 125 THR C C 174.572 . . 477 337 125 THR CA C 62.192 . . 478 337 125 THR CB C 69.131 . . 479 337 125 THR N N 113.549 . . 480 338 126 LEU H H 7.920 . . 481 338 126 LEU HD1 H 0.883 . . 482 338 126 LEU C C 176.256 . . 483 338 126 LEU CA C 54.963 . . 484 338 126 LEU CB C 41.413 . . 485 338 126 LEU CD1 C 25.001 . . 486 338 126 LEU N N 122.819 . . 487 339 127 ASN H H 8.121 . . 488 339 127 ASN C C 174.277 . . 489 339 127 ASN CA C 52.540 . . 490 339 127 ASN CB C 38.524 . . 491 339 127 ASN N N 119.613 . . 492 340 128 LEU H H 7.932 . . 493 340 128 LEU C C 176.701 . . 494 340 128 LEU CA C 54.981 . . 495 340 128 LEU CB C 40.592 . . 496 340 128 LEU N N 122.483 . . 497 341 129 PRO C C 175.767 . . 498 341 129 PRO CA C 62.597 . . 499 341 129 PRO CB C 31.006 . . 500 342 130 LYS H H 7.971 . . 501 342 130 LYS C C 175.936 . . 502 342 130 LYS CA C 55.157 . . 503 342 130 LYS CB C 32.262 . . 504 342 130 LYS N N 119.945 . . 505 343 131 ALA H H 8.104 . . 506 343 131 ALA C C 175.754 . . 507 343 131 ALA CA C 49.909 . . 508 343 131 ALA CB C 17.719 . . 509 343 131 ALA N N 125.307 . . 510 344 132 PRO C C 176.137 . . 511 344 132 PRO CA C 62.752 . . 512 344 132 PRO CB C 30.696 . . 513 345 133 VAL H H 7.718 . . 514 345 133 VAL C C 175.417 . . 515 345 133 VAL CA C 61.085 . . 516 345 133 VAL CB C 32.354 . . 517 345 133 VAL N N 117.938 . . 518 346 134 SER H H 8.235 . . 519 346 134 SER C C 175.366 . . 520 346 134 SER CA C 55.681 . . 521 346 134 SER CB C 63.504 . . 522 346 134 SER N N 119.506 . . 523 347 135 PRO C C 177.047 . . 524 347 135 PRO CA C 63.439 . . 525 347 135 PRO CB C 30.991 . . 526 348 136 GLN H H 8.216 . . 527 348 136 GLN C C 175.879 . . 528 348 136 GLN CA C 56.038 . . 529 348 136 GLN CB C 28.478 . . 530 348 136 GLN N N 118.612 . . 531 349 137 ASP H H 7.976 . . 532 349 137 ASP C C 176.133 . . 533 349 137 ASP CA C 54.139 . . 534 349 137 ASP CB C 40.706 . . 535 349 137 ASP N N 120.600 . . 536 350 138 LYS H H 8.010 . . 537 350 138 LYS C C 176.820 . . 538 350 138 LYS CA C 56.310 . . 539 350 138 LYS CB C 31.836 . . 540 350 138 LYS N N 121.533 . . 541 351 139 SER H H 8.257 . . 542 351 139 SER C C 175.176 . . 543 351 139 SER CA C 58.822 . . 544 351 139 SER CB C 63.497 . . 545 351 139 SER N N 116.702 . . 546 352 140 SER H H 8.187 . . 547 352 140 SER C C 174.763 . . 548 352 140 SER CA C 58.955 . . 549 352 140 SER CB C 63.349 . . 550 352 140 SER N N 117.972 . . 551 353 141 ASN H H 8.266 . . 552 353 141 ASN C C 176.156 . . 553 353 141 ASN CA C 54.072 . . 554 353 141 ASN CB C 37.954 . . 555 353 141 ASN N N 120.880 . . 556 354 142 GLN H H 8.262 . . 557 354 142 GLN C C 176.848 . . 558 354 142 GLN CA C 57.293 . . 559 354 142 GLN CB C 28.176 . . 560 354 142 GLN N N 121.654 . . 561 355 143 ALA H H 8.156 . . 562 355 143 ALA C C 179.484 . . 563 355 143 ALA CA C 54.490 . . 564 355 143 ALA CB C 17.886 . . 565 355 143 ALA N N 123.199 . . 566 356 144 MET H H 8.243 . . 567 356 144 MET C C 177.412 . . 568 356 144 MET CA C 57.824 . . 569 356 144 MET CB C 31.720 . . 570 356 144 MET N N 117.477 . . 571 357 145 SER H H 7.960 . . 572 357 145 SER C C 175.978 . . 573 357 145 SER CA C 61.423 . . 574 357 145 SER CB C 62.712 . . 575 357 145 SER N N 114.843 . . 576 358 146 LEU H H 7.862 . . 577 358 146 LEU HD1 H 0.917 . . 578 358 146 LEU C C 179.077 . . 579 358 146 LEU CA C 57.111 . . 580 358 146 LEU CB C 40.565 . . 581 358 146 LEU CD1 C 24.823 . . 582 358 146 LEU N N 121.439 . . 583 359 147 ALA H H 7.880 . . 584 359 147 ALA C C 179.281 . . 585 359 147 ALA CA C 54.990 . . 586 359 147 ALA CB C 17.578 . . 587 359 147 ALA N N 122.099 . . 588 360 148 ILE H H 7.891 . . 589 360 148 ILE C C 177.608 . . 590 360 148 ILE CA C 64.263 . . 591 360 148 ILE CB C 36.773 . . 592 360 148 ILE N N 116.762 . . 593 361 149 LEU H H 7.890 . . 594 361 149 LEU C C 179.112 . . 595 361 149 LEU CA C 57.614 . . 596 361 149 LEU CB C 40.482 . . 597 361 149 LEU N N 119.604 . . 598 362 150 ARG H H 7.843 . . 599 362 150 ARG C C 178.552 . . 600 362 150 ARG CA C 58.744 . . 601 362 150 ARG CB C 28.941 . . 602 362 150 ARG N N 117.741 . . 603 363 151 VAL H H 7.751 . . 604 363 151 VAL C C 177.440 . . 605 363 151 VAL CA C 65.911 . . 606 363 151 VAL CB C 30.582 . . 607 363 151 VAL N N 118.414 . . 608 364 152 ILE H H 8.117 . . 609 364 152 ILE C C 177.490 . . 610 364 152 ILE CA C 64.513 . . 611 364 152 ILE CB C 36.523 . . 612 364 152 ILE N N 119.017 . . 613 365 153 ARG H H 7.723 . . 614 365 153 ARG C C 178.273 . . 615 365 153 ARG CA C 58.528 . . 616 365 153 ARG CB C 29.189 . . 617 365 153 ARG N N 117.948 . . 618 366 154 LEU H H 7.727 . . 619 366 154 LEU C C 178.131 . . 620 366 154 LEU CA C 56.975 . . 621 366 154 LEU CB C 41.022 . . 622 366 154 LEU N N 119.540 . . 623 367 155 VAL H H 7.773 . . 624 367 155 VAL HG1 H 1.077 . . 625 367 155 VAL C C 177.001 . . 626 367 155 VAL CA C 64.719 . . 627 367 155 VAL CB C 30.509 . . 628 367 155 VAL CG1 C 21.816 . . 629 367 155 VAL N N 115.663 . . 630 368 156 ARG H H 7.689 . . 631 368 156 ARG C C 178.112 . . 632 368 156 ARG CA C 58.176 . . 633 368 156 ARG CB C 29.109 . . 634 368 156 ARG N N 118.685 . . 635 369 157 VAL H H 7.675 . . 636 369 157 VAL C C 176.526 . . 637 369 157 VAL CA C 63.977 . . 638 369 157 VAL CB C 30.691 . . 639 369 157 VAL N N 117.164 . . 640 370 158 PHE H H 7.736 . . 641 370 158 PHE C C 176.333 . . 642 370 158 PHE CA C 59.001 . . 643 370 158 PHE CB C 37.663 . . 644 370 158 PHE N N 118.375 . . 645 371 159 ARG H H 7.795 . . 646 371 159 ARG C C 177.108 . . 647 371 159 ARG CA C 57.303 . . 648 371 159 ARG CB C 29.030 . . 649 371 159 ARG N N 118.843 . . 650 372 160 ILE H H 7.503 . . 651 372 160 ILE HD1 H 0.753 . . 652 372 160 ILE C C 176.126 . . 653 372 160 ILE CA C 62.454 . . 654 372 160 ILE CB C 37.251 . . 655 372 160 ILE N N 116.591 . . 656 373 161 PHE H H 7.547 . . 657 373 161 PHE C C 175.388 . . 658 373 161 PHE CA C 58.055 . . 659 373 161 PHE CB C 38.177 . . 660 373 161 PHE N N 119.393 . . 661 374 162 LYS H H 7.847 . . 662 374 162 LYS C C 176.767 . . 663 374 162 LYS CA C 56.139 . . 664 374 162 LYS CB C 31.372 . . 665 374 162 LYS N N 120.646 . . 666 375 163 LEU H H 7.945 . . 667 375 163 LEU C C 177.292 . . 668 375 163 LEU CA C 55.715 . . 669 375 163 LEU CB C 41.427 . . 670 375 163 LEU N N 121.944 . . 671 376 164 SER H H 8.045 . . 672 376 164 SER C C 175.490 . . 673 376 164 SER CA C 59.067 . . 674 376 164 SER CB C 63.691 . . 675 376 164 SER N N 114.323 . . 676 377 165 ARG H H 8.028 . . 677 377 165 ARG C C 176.228 . . 678 377 165 ARG CA C 57.014 . . 679 377 165 ARG CB C 28.959 . . 680 377 165 ARG N N 121.501 . . 681 378 166 HIS H H 7.881 . . 682 378 166 HIS C C 175.298 . . 683 378 166 HIS CA C 55.553 . . 684 378 166 HIS CB C 29.240 . . 685 378 166 HIS N N 117.228 . . 686 379 167 SER H H 7.687 . . 687 379 167 SER C C 175.870 . . 688 379 167 SER CA C 59.676 . . 689 379 167 SER CB C 63.631 . . 690 379 167 SER N N 115.906 . . 691 380 168 LYS H H 8.621 . . 692 380 168 LYS C C 178.781 . . 693 380 168 LYS CA C 58.471 . . 694 380 168 LYS N N 125.351 . . 695 381 169 GLY H H 8.532 . . 696 381 169 GLY C C 175.088 . . 697 381 169 GLY CA C 46.913 . . 698 381 169 GLY N N 106.755 . . 699 382 170 LEU H H 7.767 . . 700 382 170 LEU C C 178.779 . . 701 382 170 LEU CA C 57.305 . . 702 382 170 LEU CB C 40.443 . . 703 382 170 LEU N N 120.283 . . 704 383 171 GLN H H 7.894 . . 705 383 171 GLN C C 178.788 . . 706 383 171 GLN CA C 58.814 . . 707 383 171 GLN CB C 27.624 . . 708 383 171 GLN N N 118.948 . . 709 384 172 ILE H H 7.967 . . 710 384 172 ILE C C 179.030 . . 711 384 172 ILE CA C 64.247 . . 712 384 172 ILE CB C 37.006 . . 713 384 172 ILE N N 119.943 . . 714 385 173 LEU H H 8.073 . . 715 385 173 LEU C C 178.652 . . 716 385 173 LEU CA C 58.034 . . 717 385 173 LEU CB C 40.622 . . 718 385 173 LEU N N 123.079 . . 719 386 174 GLY H H 8.525 . . 720 386 174 GLY C C 175.312 . . 721 386 174 GLY CA C 47.427 . . 722 386 174 GLY N N 106.195 . . 723 387 175 ARG H H 8.086 . . 724 387 175 ARG C C 179.012 . . 725 387 175 ARG CA C 59.058 . . 726 387 175 ARG CB C 29.317 . . 727 387 175 ARG N N 120.763 . . 728 388 176 THR H H 8.004 . . 729 388 176 THR C C 176.518 . . 730 388 176 THR CA C 66.269 . . 731 388 176 THR CB C 68.106 . . 732 388 176 THR N N 117.312 . . 733 389 177 LEU H H 8.258 . . 734 389 177 LEU C C 178.434 . . 735 389 177 LEU CA C 57.634 . . 736 389 177 LEU CB C 40.590 . . 737 389 177 LEU N N 123.041 . . 738 390 178 LYS H H 8.005 . . 739 390 178 LYS C C 178.331 . . 740 390 178 LYS CA C 59.032 . . 741 390 178 LYS CB C 31.444 . . 742 390 178 LYS N N 118.560 . . 743 391 179 ALA H H 7.810 . . 744 391 179 ALA C C 179.673 . . 745 391 179 ALA CA C 54.066 . . 746 391 179 ALA CB C 17.783 . . 747 391 179 ALA N N 120.676 . . 748 392 180 SER H H 7.869 . . 749 392 180 SER C C 175.115 . . 750 392 180 SER CA C 60.934 . . 751 392 180 SER CB C 63.221 . . 752 392 180 SER N N 113.949 . . 753 393 181 MET H H 7.712 . . 754 393 181 MET C C 176.928 . . 755 393 181 MET CA C 56.477 . . 756 393 181 MET CB C 32.038 . . 757 393 181 MET N N 119.671 . . 758 394 182 ARG H H 7.653 . . 759 394 182 ARG C C 176.879 . . 760 394 182 ARG CA C 56.933 . . 761 394 182 ARG CB C 29.635 . . 762 394 182 ARG N N 119.125 . . 763 395 183 GLU H H 7.927 . . 764 395 183 GLU C C 176.574 . . 765 395 183 GLU CA C 56.320 . . 766 395 183 GLU CB C 29.026 . . 767 395 183 GLU N N 119.055 . . 768 396 184 LEU H H 7.744 . . 769 396 184 LEU C C 176.680 . . 770 396 184 LEU CA C 54.972 . . 771 396 184 LEU CB C 41.563 . . 772 396 184 LEU N N 121.386 . . 773 397 185 GLY H H 7.628 . . 774 397 185 GLY C C 178.809 . . 775 397 185 GLY CA C 45.801 . . 776 397 185 GLY N N 114.345 . . stop_ save_ save_WT_Shaker-VSD_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 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Shaker-VSD _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 1 216 4 GLY C C 173.607 . . 2 216 4 GLY CA C 44.872 . . 3 217 5 PHE H H 7.996 . . 4 217 5 PHE C C 175.163 . . 5 217 5 PHE CA C 57.139 . . 6 217 5 PHE CB C 38.956 . . 7 217 5 PHE N N 120.300 . . 8 218 6 GLU H H 8.198 . . 9 218 6 GLU C C 174.593 . . 10 218 6 GLU CA C 55.829 . . 11 218 6 GLU N N 122.439 . . 12 264 52 GLY C C 174.757 . . 13 264 52 GLY CA C 45.221 . . 14 265 53 THR H H 8.114 . . 15 265 53 THR C C 174.560 . . 16 265 53 THR CA C 61.980 . . 17 265 53 THR CB C 69.196 . . 18 265 53 THR N N 114.380 . . 19 266 54 LYS H H 8.088 . . 20 266 54 LYS C C 176.205 . . 21 266 54 LYS CA C 55.799 . . 22 266 54 LYS CB C 31.943 . . 23 266 54 LYS N N 124.361 . . 24 267 55 ILE H H 7.994 . . 25 267 55 ILE C C 176.206 . . 26 267 55 ILE CA C 60.864 . . 27 267 55 ILE CB C 37.644 . . 28 267 55 ILE N N 122.529 . . 29 268 56 GLU H H 8.293 . . 30 268 56 GLU C C 176.431 . . 31 268 56 GLU CA C 56.190 . . 32 268 56 GLU CB C 29.411 . . 33 268 56 GLU N N 124.379 . . 34 270 58 ASP C C 175.901 . . 35 270 58 ASP CA C 54.189 . . 36 270 58 ASP CB C 40.679 . . 37 271 59 GLU H H 8.026 . . 38 271 59 GLU CA C 55.901 . . 39 271 59 GLU CB C 29.402 . . 40 271 59 GLU N N 120.571 . . 41 361 149 LEU C C 179.128 . . 42 361 149 LEU CA C 57.619 . . 43 362 150 ARG H H 7.819 . . 44 362 150 ARG CA C 58.784 . . 45 362 150 ARG CB C 28.974 . . 46 362 150 ARG N N 117.697 . . 47 364 152 ILE C C 177.628 . . 48 364 152 ILE CA C 64.527 . . 49 365 153 ARG H H 7.688 . . 50 365 153 ARG CA C 58.498 . . 51 365 153 ARG CB C 29.213 . . 52 365 153 ARG N N 117.812 . . 53 367 155 VAL C C 176.921 . . 54 367 155 VAL CA C 64.693 . . 55 368 156 ARG H H 7.653 . . 56 368 156 ARG C C 178.072 . . 57 368 156 ARG CA C 58.179 . . 58 368 156 ARG CB C 28.953 . . 59 368 156 ARG N N 118.681 . . 60 370 158 PHE C C 176.374 . . 61 370 158 PHE CA C 59.021 . . 62 371 159 ARG H H 7.844 . . 63 371 159 ARG C C 177.199 . . 64 371 159 ARG CA C 57.407 . . 65 371 159 ARG CB C 28.978 . . 66 371 159 ARG N N 118.870 . . 67 372 160 ILE H H 7.530 . . 68 372 160 ILE C C 176.177 . . 69 372 160 ILE CA C 62.497 . . 70 372 160 ILE CB C 37.222 . . 71 372 160 ILE N N 116.627 . . 72 381 169 GLY H H 8.517 . . 73 381 169 GLY C C 175.086 . . 74 381 169 GLY CA C 46.893 . . 75 381 169 GLY N N 106.782 . . 76 382 170 LEU H H 7.742 . . 77 382 170 LEU C C 178.857 . . 78 382 170 LEU CA C 57.298 . . 79 382 170 LEU N N 120.230 . . stop_ save_