data_52494 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52494 _Entry.Title ; Backbone resonance assignment of the bacterial DNA sliding clamp, b-clamp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-05 _Entry.Accession_date 2024-06-05 _Entry.Last_release_date 2024-06-19 _Entry.Original_release_date 2024-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Signe Simonsen . . . 0000-0003-0376-7488 52494 2 Andreas Prestel . . . 0000-0002-5459-9608 52494 3 Birthe Kragelund . . . 0000-0002-7454-1761 52494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 52494 '15N chemical shifts' 294 52494 '1H chemical shifts' 294 52494 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-07-24 . original BMRB . 52494 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52495 'the bacterial DNA sliding clamp, b-clamp, in complex with a 8-mer pol III peptide' 52494 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52494 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Responses to ligand binding in the bacterial DNA sliding clamp, b-clamp manifest in dynamic allosteric effects ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Signe Simonsen . . . . 52494 1 2 Andreas Prestel . . . . 52494 1 3 Birthe Kragelund . . . . 52494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52494 _Assembly.ID 1 _Assembly.Name 'b-clamp homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'b-clamp, chain 1' 1 $entity_1 . . yes native no no . . . 52494 1 2 'b-clamp, chain 2' 1 $entity_1 . . yes native no no . . . 52494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52494 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHMKFTVEREHLLK PLQQVSGPLGGRPTLPILGN LLLQVADGTLSLTGTDLEME MVARVALVQPHEPGATTVPA RKFFDICRGLPEGAEIAVQL EGERMLVRSGRSRFSLSTLP AADFPNLDDWQSEVEFTLPQ ATMKRLIEATQFSMAHQDVR YYLNGMLFETEGEELRTVAT DGHRLAVCSMPIGQSLPSHS VIVPRKGVIELMRMLDGGDN PLRVQIGSNNIRAHVGDFIF TSKLVDGRFPDYRRVLPKNP DKHLEAGCDLLKQAFARAAI LSNEKFRGVRLYVSENQLKI TANNPEQEEAEEILDVTYSG AEMEIGFNVSYVLDVLNALK CENVRMMLTDSVSSVQIEDA ASQSAAYVVMPMRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 374 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA sliding clamp' 52494 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 MET . 52494 1 2 -6 GLY . 52494 1 3 -5 HIS . 52494 1 4 -4 HIS . 52494 1 5 -3 HIS . 52494 1 6 -2 HIS . 52494 1 7 -1 HIS . 52494 1 8 0 HIS . 52494 1 9 1 MET . 52494 1 10 2 LYS . 52494 1 11 3 PHE . 52494 1 12 4 THR . 52494 1 13 5 VAL . 52494 1 14 6 GLU . 52494 1 15 7 ARG . 52494 1 16 8 GLU . 52494 1 17 9 HIS . 52494 1 18 10 LEU . 52494 1 19 11 LEU . 52494 1 20 12 LYS . 52494 1 21 13 PRO . 52494 1 22 14 LEU . 52494 1 23 15 GLN . 52494 1 24 16 GLN . 52494 1 25 17 VAL . 52494 1 26 18 SER . 52494 1 27 19 GLY . 52494 1 28 20 PRO . 52494 1 29 21 LEU . 52494 1 30 22 GLY . 52494 1 31 23 GLY . 52494 1 32 24 ARG . 52494 1 33 25 PRO . 52494 1 34 26 THR . 52494 1 35 27 LEU . 52494 1 36 28 PRO . 52494 1 37 29 ILE . 52494 1 38 30 LEU . 52494 1 39 31 GLY . 52494 1 40 32 ASN . 52494 1 41 33 LEU . 52494 1 42 34 LEU . 52494 1 43 35 LEU . 52494 1 44 36 GLN . 52494 1 45 37 VAL . 52494 1 46 38 ALA . 52494 1 47 39 ASP . 52494 1 48 40 GLY . 52494 1 49 41 THR . 52494 1 50 42 LEU . 52494 1 51 43 SER . 52494 1 52 44 LEU . 52494 1 53 45 THR . 52494 1 54 46 GLY . 52494 1 55 47 THR . 52494 1 56 48 ASP . 52494 1 57 49 LEU . 52494 1 58 50 GLU . 52494 1 59 51 MET . 52494 1 60 52 GLU . 52494 1 61 53 MET . 52494 1 62 54 VAL . 52494 1 63 55 ALA . 52494 1 64 56 ARG . 52494 1 65 57 VAL . 52494 1 66 58 ALA . 52494 1 67 59 LEU . 52494 1 68 60 VAL . 52494 1 69 61 GLN . 52494 1 70 62 PRO . 52494 1 71 63 HIS . 52494 1 72 64 GLU . 52494 1 73 65 PRO . 52494 1 74 66 GLY . 52494 1 75 67 ALA . 52494 1 76 68 THR . 52494 1 77 69 THR . 52494 1 78 70 VAL . 52494 1 79 71 PRO . 52494 1 80 72 ALA . 52494 1 81 73 ARG . 52494 1 82 74 LYS . 52494 1 83 75 PHE . 52494 1 84 76 PHE . 52494 1 85 77 ASP . 52494 1 86 78 ILE . 52494 1 87 79 CYS . 52494 1 88 80 ARG . 52494 1 89 81 GLY . 52494 1 90 82 LEU . 52494 1 91 83 PRO . 52494 1 92 84 GLU . 52494 1 93 85 GLY . 52494 1 94 86 ALA . 52494 1 95 87 GLU . 52494 1 96 88 ILE . 52494 1 97 89 ALA . 52494 1 98 90 VAL . 52494 1 99 91 GLN . 52494 1 100 92 LEU . 52494 1 101 93 GLU . 52494 1 102 94 GLY . 52494 1 103 95 GLU . 52494 1 104 96 ARG . 52494 1 105 97 MET . 52494 1 106 98 LEU . 52494 1 107 99 VAL . 52494 1 108 100 ARG . 52494 1 109 101 SER . 52494 1 110 102 GLY . 52494 1 111 103 ARG . 52494 1 112 104 SER . 52494 1 113 105 ARG . 52494 1 114 106 PHE . 52494 1 115 107 SER . 52494 1 116 108 LEU . 52494 1 117 109 SER . 52494 1 118 110 THR . 52494 1 119 111 LEU . 52494 1 120 112 PRO . 52494 1 121 113 ALA . 52494 1 122 114 ALA . 52494 1 123 115 ASP . 52494 1 124 116 PHE . 52494 1 125 117 PRO . 52494 1 126 118 ASN . 52494 1 127 119 LEU . 52494 1 128 120 ASP . 52494 1 129 121 ASP . 52494 1 130 122 TRP . 52494 1 131 123 GLN . 52494 1 132 124 SER . 52494 1 133 125 GLU . 52494 1 134 126 VAL . 52494 1 135 127 GLU . 52494 1 136 128 PHE . 52494 1 137 129 THR . 52494 1 138 130 LEU . 52494 1 139 131 PRO . 52494 1 140 132 GLN . 52494 1 141 133 ALA . 52494 1 142 134 THR . 52494 1 143 135 MET . 52494 1 144 136 LYS . 52494 1 145 137 ARG . 52494 1 146 138 LEU . 52494 1 147 139 ILE . 52494 1 148 140 GLU . 52494 1 149 141 ALA . 52494 1 150 142 THR . 52494 1 151 143 GLN . 52494 1 152 144 PHE . 52494 1 153 145 SER . 52494 1 154 146 MET . 52494 1 155 147 ALA . 52494 1 156 148 HIS . 52494 1 157 149 GLN . 52494 1 158 150 ASP . 52494 1 159 151 VAL . 52494 1 160 152 ARG . 52494 1 161 153 TYR . 52494 1 162 154 TYR . 52494 1 163 155 LEU . 52494 1 164 156 ASN . 52494 1 165 157 GLY . 52494 1 166 158 MET . 52494 1 167 159 LEU . 52494 1 168 160 PHE . 52494 1 169 161 GLU . 52494 1 170 162 THR . 52494 1 171 163 GLU . 52494 1 172 164 GLY . 52494 1 173 165 GLU . 52494 1 174 166 GLU . 52494 1 175 167 LEU . 52494 1 176 168 ARG . 52494 1 177 169 THR . 52494 1 178 170 VAL . 52494 1 179 171 ALA . 52494 1 180 172 THR . 52494 1 181 173 ASP . 52494 1 182 174 GLY . 52494 1 183 175 HIS . 52494 1 184 176 ARG . 52494 1 185 177 LEU . 52494 1 186 178 ALA . 52494 1 187 179 VAL . 52494 1 188 180 CYS . 52494 1 189 181 SER . 52494 1 190 182 MET . 52494 1 191 183 PRO . 52494 1 192 184 ILE . 52494 1 193 185 GLY . 52494 1 194 186 GLN . 52494 1 195 187 SER . 52494 1 196 188 LEU . 52494 1 197 189 PRO . 52494 1 198 190 SER . 52494 1 199 191 HIS . 52494 1 200 192 SER . 52494 1 201 193 VAL . 52494 1 202 194 ILE . 52494 1 203 195 VAL . 52494 1 204 196 PRO . 52494 1 205 197 ARG . 52494 1 206 198 LYS . 52494 1 207 199 GLY . 52494 1 208 200 VAL . 52494 1 209 201 ILE . 52494 1 210 202 GLU . 52494 1 211 203 LEU . 52494 1 212 204 MET . 52494 1 213 205 ARG . 52494 1 214 206 MET . 52494 1 215 207 LEU . 52494 1 216 208 ASP . 52494 1 217 209 GLY . 52494 1 218 210 GLY . 52494 1 219 211 ASP . 52494 1 220 212 ASN . 52494 1 221 213 PRO . 52494 1 222 214 LEU . 52494 1 223 215 ARG . 52494 1 224 216 VAL . 52494 1 225 217 GLN . 52494 1 226 218 ILE . 52494 1 227 219 GLY . 52494 1 228 220 SER . 52494 1 229 221 ASN . 52494 1 230 222 ASN . 52494 1 231 223 ILE . 52494 1 232 224 ARG . 52494 1 233 225 ALA . 52494 1 234 226 HIS . 52494 1 235 227 VAL . 52494 1 236 228 GLY . 52494 1 237 229 ASP . 52494 1 238 230 PHE . 52494 1 239 231 ILE . 52494 1 240 232 PHE . 52494 1 241 233 THR . 52494 1 242 234 SER . 52494 1 243 235 LYS . 52494 1 244 236 LEU . 52494 1 245 237 VAL . 52494 1 246 238 ASP . 52494 1 247 239 GLY . 52494 1 248 240 ARG . 52494 1 249 241 PHE . 52494 1 250 242 PRO . 52494 1 251 243 ASP . 52494 1 252 244 TYR . 52494 1 253 245 ARG . 52494 1 254 246 ARG . 52494 1 255 247 VAL . 52494 1 256 248 LEU . 52494 1 257 249 PRO . 52494 1 258 250 LYS . 52494 1 259 251 ASN . 52494 1 260 252 PRO . 52494 1 261 253 ASP . 52494 1 262 254 LYS . 52494 1 263 255 HIS . 52494 1 264 256 LEU . 52494 1 265 257 GLU . 52494 1 266 258 ALA . 52494 1 267 259 GLY . 52494 1 268 260 CYS . 52494 1 269 261 ASP . 52494 1 270 262 LEU . 52494 1 271 263 LEU . 52494 1 272 264 LYS . 52494 1 273 265 GLN . 52494 1 274 266 ALA . 52494 1 275 267 PHE . 52494 1 276 268 ALA . 52494 1 277 269 ARG . 52494 1 278 270 ALA . 52494 1 279 271 ALA . 52494 1 280 272 ILE . 52494 1 281 273 LEU . 52494 1 282 274 SER . 52494 1 283 275 ASN . 52494 1 284 276 GLU . 52494 1 285 277 LYS . 52494 1 286 278 PHE . 52494 1 287 279 ARG . 52494 1 288 280 GLY . 52494 1 289 281 VAL . 52494 1 290 282 ARG . 52494 1 291 283 LEU . 52494 1 292 284 TYR . 52494 1 293 285 VAL . 52494 1 294 286 SER . 52494 1 295 287 GLU . 52494 1 296 288 ASN . 52494 1 297 289 GLN . 52494 1 298 290 LEU . 52494 1 299 291 LYS . 52494 1 300 292 ILE . 52494 1 301 293 THR . 52494 1 302 294 ALA . 52494 1 303 295 ASN . 52494 1 304 296 ASN . 52494 1 305 297 PRO . 52494 1 306 298 GLU . 52494 1 307 299 GLN . 52494 1 308 300 GLU . 52494 1 309 301 GLU . 52494 1 310 302 ALA . 52494 1 311 303 GLU . 52494 1 312 304 GLU . 52494 1 313 305 ILE . 52494 1 314 306 LEU . 52494 1 315 307 ASP . 52494 1 316 308 VAL . 52494 1 317 309 THR . 52494 1 318 310 TYR . 52494 1 319 311 SER . 52494 1 320 312 GLY . 52494 1 321 313 ALA . 52494 1 322 314 GLU . 52494 1 323 315 MET . 52494 1 324 316 GLU . 52494 1 325 317 ILE . 52494 1 326 318 GLY . 52494 1 327 319 PHE . 52494 1 328 320 ASN . 52494 1 329 321 VAL . 52494 1 330 322 SER . 52494 1 331 323 TYR . 52494 1 332 324 VAL . 52494 1 333 325 LEU . 52494 1 334 326 ASP . 52494 1 335 327 VAL . 52494 1 336 328 LEU . 52494 1 337 329 ASN . 52494 1 338 330 ALA . 52494 1 339 331 LEU . 52494 1 340 332 LYS . 52494 1 341 333 CYS . 52494 1 342 334 GLU . 52494 1 343 335 ASN . 52494 1 344 336 VAL . 52494 1 345 337 ARG . 52494 1 346 338 MET . 52494 1 347 339 MET . 52494 1 348 340 LEU . 52494 1 349 341 THR . 52494 1 350 342 ASP . 52494 1 351 343 SER . 52494 1 352 344 VAL . 52494 1 353 345 SER . 52494 1 354 346 SER . 52494 1 355 347 VAL . 52494 1 356 348 GLN . 52494 1 357 349 ILE . 52494 1 358 350 GLU . 52494 1 359 351 ASP . 52494 1 360 352 ALA . 52494 1 361 353 ALA . 52494 1 362 354 SER . 52494 1 363 355 GLN . 52494 1 364 356 SER . 52494 1 365 357 ALA . 52494 1 366 358 ALA . 52494 1 367 359 TYR . 52494 1 368 360 VAL . 52494 1 369 361 VAL . 52494 1 370 362 MET . 52494 1 371 363 PRO . 52494 1 372 364 MET . 52494 1 373 365 ARG . 52494 1 374 366 LEU . 52494 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52494 1 . GLY 2 2 52494 1 . HIS 3 3 52494 1 . HIS 4 4 52494 1 . HIS 5 5 52494 1 . HIS 6 6 52494 1 . HIS 7 7 52494 1 . HIS 8 8 52494 1 . MET 9 9 52494 1 . LYS 10 10 52494 1 . PHE 11 11 52494 1 . THR 12 12 52494 1 . VAL 13 13 52494 1 . GLU 14 14 52494 1 . ARG 15 15 52494 1 . GLU 16 16 52494 1 . HIS 17 17 52494 1 . LEU 18 18 52494 1 . LEU 19 19 52494 1 . LYS 20 20 52494 1 . PRO 21 21 52494 1 . LEU 22 22 52494 1 . GLN 23 23 52494 1 . GLN 24 24 52494 1 . VAL 25 25 52494 1 . SER 26 26 52494 1 . GLY 27 27 52494 1 . PRO 28 28 52494 1 . LEU 29 29 52494 1 . GLY 30 30 52494 1 . GLY 31 31 52494 1 . ARG 32 32 52494 1 . PRO 33 33 52494 1 . THR 34 34 52494 1 . LEU 35 35 52494 1 . PRO 36 36 52494 1 . ILE 37 37 52494 1 . LEU 38 38 52494 1 . GLY 39 39 52494 1 . ASN 40 40 52494 1 . LEU 41 41 52494 1 . LEU 42 42 52494 1 . LEU 43 43 52494 1 . GLN 44 44 52494 1 . VAL 45 45 52494 1 . ALA 46 46 52494 1 . ASP 47 47 52494 1 . GLY 48 48 52494 1 . THR 49 49 52494 1 . LEU 50 50 52494 1 . SER 51 51 52494 1 . LEU 52 52 52494 1 . THR 53 53 52494 1 . GLY 54 54 52494 1 . THR 55 55 52494 1 . ASP 56 56 52494 1 . LEU 57 57 52494 1 . GLU 58 58 52494 1 . MET 59 59 52494 1 . GLU 60 60 52494 1 . MET 61 61 52494 1 . VAL 62 62 52494 1 . ALA 63 63 52494 1 . ARG 64 64 52494 1 . VAL 65 65 52494 1 . ALA 66 66 52494 1 . LEU 67 67 52494 1 . VAL 68 68 52494 1 . GLN 69 69 52494 1 . PRO 70 70 52494 1 . HIS 71 71 52494 1 . GLU 72 72 52494 1 . PRO 73 73 52494 1 . GLY 74 74 52494 1 . ALA 75 75 52494 1 . THR 76 76 52494 1 . THR 77 77 52494 1 . VAL 78 78 52494 1 . PRO 79 79 52494 1 . ALA 80 80 52494 1 . ARG 81 81 52494 1 . LYS 82 82 52494 1 . PHE 83 83 52494 1 . PHE 84 84 52494 1 . ASP 85 85 52494 1 . ILE 86 86 52494 1 . CYS 87 87 52494 1 . ARG 88 88 52494 1 . GLY 89 89 52494 1 . LEU 90 90 52494 1 . PRO 91 91 52494 1 . GLU 92 92 52494 1 . GLY 93 93 52494 1 . ALA 94 94 52494 1 . GLU 95 95 52494 1 . ILE 96 96 52494 1 . ALA 97 97 52494 1 . VAL 98 98 52494 1 . GLN 99 99 52494 1 . LEU 100 100 52494 1 . GLU 101 101 52494 1 . GLY 102 102 52494 1 . GLU 103 103 52494 1 . ARG 104 104 52494 1 . MET 105 105 52494 1 . LEU 106 106 52494 1 . VAL 107 107 52494 1 . ARG 108 108 52494 1 . SER 109 109 52494 1 . GLY 110 110 52494 1 . ARG 111 111 52494 1 . SER 112 112 52494 1 . ARG 113 113 52494 1 . PHE 114 114 52494 1 . SER 115 115 52494 1 . LEU 116 116 52494 1 . SER 117 117 52494 1 . THR 118 118 52494 1 . LEU 119 119 52494 1 . PRO 120 120 52494 1 . ALA 121 121 52494 1 . ALA 122 122 52494 1 . ASP 123 123 52494 1 . PHE 124 124 52494 1 . PRO 125 125 52494 1 . ASN 126 126 52494 1 . LEU 127 127 52494 1 . ASP 128 128 52494 1 . ASP 129 129 52494 1 . TRP 130 130 52494 1 . GLN 131 131 52494 1 . SER 132 132 52494 1 . GLU 133 133 52494 1 . VAL 134 134 52494 1 . GLU 135 135 52494 1 . PHE 136 136 52494 1 . THR 137 137 52494 1 . LEU 138 138 52494 1 . PRO 139 139 52494 1 . GLN 140 140 52494 1 . ALA 141 141 52494 1 . THR 142 142 52494 1 . MET 143 143 52494 1 . LYS 144 144 52494 1 . ARG 145 145 52494 1 . LEU 146 146 52494 1 . ILE 147 147 52494 1 . GLU 148 148 52494 1 . ALA 149 149 52494 1 . THR 150 150 52494 1 . GLN 151 151 52494 1 . PHE 152 152 52494 1 . SER 153 153 52494 1 . MET 154 154 52494 1 . ALA 155 155 52494 1 . HIS 156 156 52494 1 . GLN 157 157 52494 1 . ASP 158 158 52494 1 . VAL 159 159 52494 1 . ARG 160 160 52494 1 . TYR 161 161 52494 1 . TYR 162 162 52494 1 . LEU 163 163 52494 1 . ASN 164 164 52494 1 . GLY 165 165 52494 1 . MET 166 166 52494 1 . LEU 167 167 52494 1 . PHE 168 168 52494 1 . GLU 169 169 52494 1 . THR 170 170 52494 1 . GLU 171 171 52494 1 . GLY 172 172 52494 1 . GLU 173 173 52494 1 . GLU 174 174 52494 1 . LEU 175 175 52494 1 . ARG 176 176 52494 1 . THR 177 177 52494 1 . VAL 178 178 52494 1 . ALA 179 179 52494 1 . THR 180 180 52494 1 . ASP 181 181 52494 1 . GLY 182 182 52494 1 . HIS 183 183 52494 1 . ARG 184 184 52494 1 . LEU 185 185 52494 1 . ALA 186 186 52494 1 . VAL 187 187 52494 1 . CYS 188 188 52494 1 . SER 189 189 52494 1 . MET 190 190 52494 1 . PRO 191 191 52494 1 . ILE 192 192 52494 1 . GLY 193 193 52494 1 . GLN 194 194 52494 1 . SER 195 195 52494 1 . LEU 196 196 52494 1 . PRO 197 197 52494 1 . SER 198 198 52494 1 . HIS 199 199 52494 1 . SER 200 200 52494 1 . VAL 201 201 52494 1 . ILE 202 202 52494 1 . VAL 203 203 52494 1 . PRO 204 204 52494 1 . ARG 205 205 52494 1 . LYS 206 206 52494 1 . GLY 207 207 52494 1 . VAL 208 208 52494 1 . ILE 209 209 52494 1 . GLU 210 210 52494 1 . LEU 211 211 52494 1 . MET 212 212 52494 1 . ARG 213 213 52494 1 . MET 214 214 52494 1 . LEU 215 215 52494 1 . ASP 216 216 52494 1 . GLY 217 217 52494 1 . GLY 218 218 52494 1 . ASP 219 219 52494 1 . ASN 220 220 52494 1 . PRO 221 221 52494 1 . LEU 222 222 52494 1 . ARG 223 223 52494 1 . VAL 224 224 52494 1 . GLN 225 225 52494 1 . ILE 226 226 52494 1 . GLY 227 227 52494 1 . SER 228 228 52494 1 . ASN 229 229 52494 1 . ASN 230 230 52494 1 . ILE 231 231 52494 1 . ARG 232 232 52494 1 . ALA 233 233 52494 1 . HIS 234 234 52494 1 . VAL 235 235 52494 1 . GLY 236 236 52494 1 . ASP 237 237 52494 1 . PHE 238 238 52494 1 . ILE 239 239 52494 1 . PHE 240 240 52494 1 . THR 241 241 52494 1 . SER 242 242 52494 1 . LYS 243 243 52494 1 . LEU 244 244 52494 1 . VAL 245 245 52494 1 . ASP 246 246 52494 1 . GLY 247 247 52494 1 . ARG 248 248 52494 1 . PHE 249 249 52494 1 . PRO 250 250 52494 1 . ASP 251 251 52494 1 . TYR 252 252 52494 1 . ARG 253 253 52494 1 . ARG 254 254 52494 1 . VAL 255 255 52494 1 . LEU 256 256 52494 1 . PRO 257 257 52494 1 . LYS 258 258 52494 1 . ASN 259 259 52494 1 . PRO 260 260 52494 1 . ASP 261 261 52494 1 . LYS 262 262 52494 1 . HIS 263 263 52494 1 . LEU 264 264 52494 1 . GLU 265 265 52494 1 . ALA 266 266 52494 1 . GLY 267 267 52494 1 . CYS 268 268 52494 1 . ASP 269 269 52494 1 . LEU 270 270 52494 1 . LEU 271 271 52494 1 . LYS 272 272 52494 1 . GLN 273 273 52494 1 . ALA 274 274 52494 1 . PHE 275 275 52494 1 . ALA 276 276 52494 1 . ARG 277 277 52494 1 . ALA 278 278 52494 1 . ALA 279 279 52494 1 . ILE 280 280 52494 1 . LEU 281 281 52494 1 . SER 282 282 52494 1 . ASN 283 283 52494 1 . GLU 284 284 52494 1 . LYS 285 285 52494 1 . PHE 286 286 52494 1 . ARG 287 287 52494 1 . GLY 288 288 52494 1 . VAL 289 289 52494 1 . ARG 290 290 52494 1 . LEU 291 291 52494 1 . TYR 292 292 52494 1 . VAL 293 293 52494 1 . SER 294 294 52494 1 . GLU 295 295 52494 1 . ASN 296 296 52494 1 . GLN 297 297 52494 1 . LEU 298 298 52494 1 . LYS 299 299 52494 1 . ILE 300 300 52494 1 . THR 301 301 52494 1 . ALA 302 302 52494 1 . ASN 303 303 52494 1 . ASN 304 304 52494 1 . PRO 305 305 52494 1 . GLU 306 306 52494 1 . GLN 307 307 52494 1 . GLU 308 308 52494 1 . GLU 309 309 52494 1 . ALA 310 310 52494 1 . GLU 311 311 52494 1 . GLU 312 312 52494 1 . ILE 313 313 52494 1 . LEU 314 314 52494 1 . ASP 315 315 52494 1 . VAL 316 316 52494 1 . THR 317 317 52494 1 . TYR 318 318 52494 1 . SER 319 319 52494 1 . GLY 320 320 52494 1 . ALA 321 321 52494 1 . GLU 322 322 52494 1 . MET 323 323 52494 1 . GLU 324 324 52494 1 . ILE 325 325 52494 1 . GLY 326 326 52494 1 . PHE 327 327 52494 1 . ASN 328 328 52494 1 . VAL 329 329 52494 1 . SER 330 330 52494 1 . TYR 331 331 52494 1 . VAL 332 332 52494 1 . LEU 333 333 52494 1 . ASP 334 334 52494 1 . VAL 335 335 52494 1 . LEU 336 336 52494 1 . ASN 337 337 52494 1 . ALA 338 338 52494 1 . LEU 339 339 52494 1 . LYS 340 340 52494 1 . CYS 341 341 52494 1 . GLU 342 342 52494 1 . ASN 343 343 52494 1 . VAL 344 344 52494 1 . ARG 345 345 52494 1 . MET 346 346 52494 1 . MET 347 347 52494 1 . LEU 348 348 52494 1 . THR 349 349 52494 1 . ASP 350 350 52494 1 . SER 351 351 52494 1 . VAL 352 352 52494 1 . SER 353 353 52494 1 . SER 354 354 52494 1 . VAL 355 355 52494 1 . GLN 356 356 52494 1 . ILE 357 357 52494 1 . GLU 358 358 52494 1 . ASP 359 359 52494 1 . ALA 360 360 52494 1 . ALA 361 361 52494 1 . SER 362 362 52494 1 . GLN 363 363 52494 1 . SER 364 364 52494 1 . ALA 365 365 52494 1 . ALA 366 366 52494 1 . TYR 367 367 52494 1 . VAL 368 368 52494 1 . VAL 369 369 52494 1 . MET 370 370 52494 1 . PRO 371 371 52494 1 . MET 372 372 52494 1 . ARG 373 373 52494 1 . LEU 374 374 52494 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52494 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52494 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52494 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' pLysS . plasmid . . pET16b . . . 52494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52494 _Sample.ID 1 _Sample.Name '2H, 13C, 15N b-clamp' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'b-clamp homodimer' '[U-99% 13C; U-99% 15N; U-97% 2H]' . . 1 $entity_1 . . 1083 . . uM . . . . 52494 1 2 D2O '[U-99.9% 2H]' . . . . . . 5 . . '% v/v' . . . . 52494 1 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 52494 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 52494 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52494 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52494 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52494 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 52494 1 temperature 310 . K 52494 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52494 _Software.ID 1 _Software.Type . _Software.Name 'CcpN Analysis' _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52494 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52494 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52494 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52494 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52494 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 750 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52494 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52494 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52494 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52494 1 4 '3D 1H-15N TROSY-NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52494 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52494 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'b-clamp chemical shifts' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52494 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52494 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52494 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52494 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'b-clamp chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52494 1 2 '3D HNCA' . . . 52494 1 3 '3D HNCO' . . . 52494 1 4 '3D 1H-15N TROSY-NOESY' . . . 52494 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52494 1 2 $software_2 . . 52494 1 3 $software_3 . . 52494 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 8 8 HIS C C 13 173.982 0.000 . 1 . . . . . 0 HIS C . 52494 1 2 . 1 . 1 8 8 HIS CA C 13 55.061 0.000 . 1 . . . . . 0 HIS CA . 52494 1 3 . 1 . 1 9 9 MET H H 1 7.476 0.004 . 1 . . . . . 1 MET H . 52494 1 4 . 1 . 1 9 9 MET C C 13 174.849 0.000 . 1 . . . . . 1 MET C . 52494 1 5 . 1 . 1 9 9 MET CA C 13 56.739 0.006 . 1 . . . . . 1 MET CA . 52494 1 6 . 1 . 1 9 9 MET N N 15 119.656 0.008 . 1 . . . . . 1 MET N . 52494 1 7 . 1 . 1 10 10 LYS H H 1 8.433 0.006 . 1 . . . . . 2 LYS H . 52494 1 8 . 1 . 1 10 10 LYS C C 13 175.503 0.000 . 1 . . . . . 2 LYS C . 52494 1 9 . 1 . 1 10 10 LYS CA C 13 55.611 0.042 . 1 . . . . . 2 LYS CA . 52494 1 10 . 1 . 1 10 10 LYS N N 15 124.604 0.028 . 1 . . . . . 2 LYS N . 52494 1 11 . 1 . 1 11 11 PHE H H 1 8.544 0.005 . 1 . . . . . 3 PHE H . 52494 1 12 . 1 . 1 11 11 PHE C C 13 172.495 0.000 . 1 . . . . . 3 PHE C . 52494 1 13 . 1 . 1 11 11 PHE CA C 13 57.478 0.011 . 1 . . . . . 3 PHE CA . 52494 1 14 . 1 . 1 11 11 PHE N N 15 116.652 0.030 . 1 . . . . . 3 PHE N . 52494 1 15 . 1 . 1 12 12 THR H H 1 9.052 0.004 . 1 . . . . . 4 THR H . 52494 1 16 . 1 . 1 12 12 THR C C 13 173.540 0.000 . 1 . . . . . 4 THR C . 52494 1 17 . 1 . 1 12 12 THR CA C 13 61.242 0.030 . 1 . . . . . 4 THR CA . 52494 1 18 . 1 . 1 12 12 THR N N 15 117.419 0.012 . 1 . . . . . 4 THR N . 52494 1 19 . 1 . 1 13 13 VAL H H 1 9.188 0.006 . 1 . . . . . 5 VAL H . 52494 1 20 . 1 . 1 13 13 VAL C C 13 172.887 0.000 . 1 . . . . . 5 VAL C . 52494 1 21 . 1 . 1 13 13 VAL CA C 13 59.169 0.020 . 1 . . . . . 5 VAL CA . 52494 1 22 . 1 . 1 13 13 VAL N N 15 124.136 0.029 . 1 . . . . . 5 VAL N . 52494 1 23 . 1 . 1 14 14 GLU H H 1 8.696 0.004 . 1 . . . . . 6 GLU H . 52494 1 24 . 1 . 1 14 14 GLU C C 13 178.085 0.000 . 1 . . . . . 6 GLU C . 52494 1 25 . 1 . 1 14 14 GLU CA C 13 56.994 0.003 . 1 . . . . . 6 GLU CA . 52494 1 26 . 1 . 1 14 14 GLU N N 15 125.716 0.017 . 1 . . . . . 6 GLU N . 52494 1 27 . 1 . 1 15 15 ARG H H 1 8.907 0.004 . 1 . . . . . 7 ARG H . 52494 1 28 . 1 . 1 15 15 ARG CA C 13 59.921 0.000 . 1 . . . . . 7 ARG CA . 52494 1 29 . 1 . 1 15 15 ARG N N 15 124.896 0.038 . 1 . . . . . 7 ARG N . 52494 1 30 . 1 . 1 17 17 HIS H H 1 7.489 0.004 . 1 . . . . . 9 HIS H . 52494 1 31 . 1 . 1 17 17 HIS CA C 13 56.366 0.000 . 1 . . . . . 9 HIS CA . 52494 1 32 . 1 . 1 17 17 HIS N N 15 117.455 0.030 . 1 . . . . . 9 HIS N . 52494 1 33 . 1 . 1 18 18 LEU H H 1 7.338 0.003 . 1 . . . . . 10 LEU H . 52494 1 34 . 1 . 1 18 18 LEU CA C 13 54.365 0.000 . 1 . . . . . 10 LEU CA . 52494 1 35 . 1 . 1 18 18 LEU N N 15 116.241 0.001 . 1 . . . . . 10 LEU N . 52494 1 36 . 1 . 1 19 19 LEU H H 1 7.630 0.001 . 1 . . . . . 11 LEU H . 52494 1 37 . 1 . 1 19 19 LEU C C 13 177.518 0.000 . 1 . . . . . 11 LEU C . 52494 1 38 . 1 . 1 19 19 LEU CA C 13 59.526 0.002 . 1 . . . . . 11 LEU CA . 52494 1 39 . 1 . 1 19 19 LEU N N 15 118.716 0.043 . 1 . . . . . 11 LEU N . 52494 1 40 . 1 . 1 20 20 LYS H H 1 8.397 0.005 . 1 . . . . . 12 LYS H . 52494 1 41 . 1 . 1 20 20 LYS CA C 13 60.387 0.000 . 1 . . . . . 12 LYS CA . 52494 1 42 . 1 . 1 20 20 LYS N N 15 117.714 0.013 . 1 . . . . . 12 LYS N . 52494 1 43 . 1 . 1 21 21 PRO C C 13 177.717 0.000 . 1 . . . . . 13 PRO C . 52494 1 44 . 1 . 1 21 21 PRO CA C 13 66.329 0.000 . 1 . . . . . 13 PRO CA . 52494 1 45 . 1 . 1 22 22 LEU H H 1 7.913 0.006 . 1 . . . . . 14 LEU H . 52494 1 46 . 1 . 1 22 22 LEU CA C 13 57.192 0.022 . 1 . . . . . 14 LEU CA . 52494 1 47 . 1 . 1 22 22 LEU N N 15 115.676 0.026 . 1 . . . . . 14 LEU N . 52494 1 48 . 1 . 1 23 23 GLN H H 1 8.419 0.003 . 1 . . . . . 15 GLN H . 52494 1 49 . 1 . 1 23 23 GLN CA C 13 58.513 0.000 . 1 . . . . . 15 GLN CA . 52494 1 50 . 1 . 1 23 23 GLN N N 15 122.855 0.025 . 1 . . . . . 15 GLN N . 52494 1 51 . 1 . 1 24 24 GLN H H 1 8.076 0.003 . 1 . . . . . 16 GLN H . 52494 1 52 . 1 . 1 24 24 GLN C C 13 178.686 0.000 . 1 . . . . . 16 GLN C . 52494 1 53 . 1 . 1 24 24 GLN CA C 13 57.973 0.000 . 1 . . . . . 16 GLN CA . 52494 1 54 . 1 . 1 24 24 GLN N N 15 118.610 0.007 . 1 . . . . . 16 GLN N . 52494 1 55 . 1 . 1 25 25 VAL H H 1 8.001 0.004 . 1 . . . . . 17 VAL H . 52494 1 56 . 1 . 1 25 25 VAL CA C 13 63.844 0.035 . 1 . . . . . 17 VAL CA . 52494 1 57 . 1 . 1 25 25 VAL N N 15 112.559 0.017 . 1 . . . . . 17 VAL N . 52494 1 58 . 1 . 1 26 26 SER H H 1 7.355 0.006 . 1 . . . . . 18 SER H . 52494 1 59 . 1 . 1 26 26 SER C C 13 176.450 0.000 . 1 . . . . . 18 SER C . 52494 1 60 . 1 . 1 26 26 SER CA C 13 59.654 0.011 . 1 . . . . . 18 SER CA . 52494 1 61 . 1 . 1 26 26 SER N N 15 110.033 0.000 . 1 . . . . . 18 SER N . 52494 1 62 . 1 . 1 27 27 GLY H H 1 7.392 0.005 . 1 . . . . . 19 GLY H . 52494 1 63 . 1 . 1 27 27 GLY CA C 13 47.977 0.000 . 1 . . . . . 19 GLY CA . 52494 1 64 . 1 . 1 27 27 GLY N N 15 111.879 0.032 . 1 . . . . . 19 GLY N . 52494 1 65 . 1 . 1 36 36 PRO C C 13 179.405 0.000 . 1 . . . . . 28 PRO C . 52494 1 66 . 1 . 1 36 36 PRO CA C 13 65.489 0.000 . 1 . . . . . 28 PRO CA . 52494 1 67 . 1 . 1 37 37 ILE H H 1 8.201 0.019 . 1 . . . . . 29 ILE H . 52494 1 68 . 1 . 1 37 37 ILE CA C 13 62.686 0.022 . 1 . . . . . 29 ILE CA . 52494 1 69 . 1 . 1 37 37 ILE N N 15 116.484 0.017 . 1 . . . . . 29 ILE N . 52494 1 70 . 1 . 1 38 38 LEU H H 1 7.398 0.003 . 1 . . . . . 30 LEU H . 52494 1 71 . 1 . 1 38 38 LEU C C 13 178.561 0.000 . 1 . . . . . 30 LEU C . 52494 1 72 . 1 . 1 38 38 LEU CA C 13 55.257 0.004 . 1 . . . . . 30 LEU CA . 52494 1 73 . 1 . 1 38 38 LEU N N 15 117.243 0.030 . 1 . . . . . 30 LEU N . 52494 1 74 . 1 . 1 39 39 GLY H H 1 7.749 0.005 . 1 . . . . . 31 GLY H . 52494 1 75 . 1 . 1 39 39 GLY C C 13 173.063 0.000 . 1 . . . . . 31 GLY C . 52494 1 76 . 1 . 1 39 39 GLY CA C 13 44.529 0.027 . 1 . . . . . 31 GLY CA . 52494 1 77 . 1 . 1 39 39 GLY N N 15 104.798 0.011 . 1 . . . . . 31 GLY N . 52494 1 78 . 1 . 1 40 40 ASN H H 1 8.124 0.004 . 1 . . . . . 32 ASN H . 52494 1 79 . 1 . 1 40 40 ASN CA C 13 50.871 0.049 . 1 . . . . . 32 ASN CA . 52494 1 80 . 1 . 1 40 40 ASN N N 15 122.894 0.017 . 1 . . . . . 32 ASN N . 52494 1 81 . 1 . 1 41 41 LEU H H 1 8.797 0.003 . 1 . . . . . 33 LEU H . 52494 1 82 . 1 . 1 41 41 LEU C C 13 176.578 0.000 . 1 . . . . . 33 LEU C . 52494 1 83 . 1 . 1 41 41 LEU CA C 13 51.887 0.022 . 1 . . . . . 33 LEU CA . 52494 1 84 . 1 . 1 41 41 LEU N N 15 115.084 0.032 . 1 . . . . . 33 LEU N . 52494 1 85 . 1 . 1 42 42 LEU H H 1 8.398 0.003 . 1 . . . . . 34 LEU H . 52494 1 86 . 1 . 1 42 42 LEU C C 13 175.302 0.000 . 1 . . . . . 34 LEU C . 52494 1 87 . 1 . 1 42 42 LEU CA C 13 54.060 0.022 . 1 . . . . . 34 LEU CA . 52494 1 88 . 1 . 1 42 42 LEU N N 15 124.340 0.040 . 1 . . . . . 34 LEU N . 52494 1 89 . 1 . 1 43 43 LEU H H 1 9.016 0.003 . 1 . . . . . 35 LEU H . 52494 1 90 . 1 . 1 43 43 LEU C C 13 175.135 0.000 . 1 . . . . . 35 LEU C . 52494 1 91 . 1 . 1 43 43 LEU CA C 13 53.256 0.002 . 1 . . . . . 35 LEU CA . 52494 1 92 . 1 . 1 43 43 LEU N N 15 131.025 0.024 . 1 . . . . . 35 LEU N . 52494 1 93 . 1 . 1 44 44 GLN H H 1 8.511 0.005 . 1 . . . . . 36 GLN H . 52494 1 94 . 1 . 1 44 44 GLN C C 13 174.713 0.000 . 1 . . . . . 36 GLN C . 52494 1 95 . 1 . 1 44 44 GLN CA C 13 53.943 0.018 . 1 . . . . . 36 GLN CA . 52494 1 96 . 1 . 1 44 44 GLN N N 15 118.975 0.029 . 1 . . . . . 36 GLN N . 52494 1 97 . 1 . 1 45 45 VAL H H 1 9.066 0.003 . 1 . . . . . 37 VAL H . 52494 1 98 . 1 . 1 45 45 VAL C C 13 175.451 0.000 . 1 . . . . . 37 VAL C . 52494 1 99 . 1 . 1 45 45 VAL CA C 13 60.923 0.010 . 1 . . . . . 37 VAL CA . 52494 1 100 . 1 . 1 45 45 VAL N N 15 126.413 0.033 . 1 . . . . . 37 VAL N . 52494 1 101 . 1 . 1 46 46 ALA H H 1 8.581 0.004 . 1 . . . . . 38 ALA H . 52494 1 102 . 1 . 1 46 46 ALA CA C 13 51.752 0.000 . 1 . . . . . 38 ALA CA . 52494 1 103 . 1 . 1 46 46 ALA N N 15 129.263 0.015 . 1 . . . . . 38 ALA N . 52494 1 104 . 1 . 1 48 48 GLY H H 1 9.691 0.003 . 1 . . . . . 40 GLY H . 52494 1 105 . 1 . 1 48 48 GLY C C 13 174.441 0.000 . 1 . . . . . 40 GLY C . 52494 1 106 . 1 . 1 48 48 GLY CA C 13 45.646 0.013 . 1 . . . . . 40 GLY CA . 52494 1 107 . 1 . 1 48 48 GLY N N 15 110.473 0.009 . 1 . . . . . 40 GLY N . 52494 1 108 . 1 . 1 49 49 THR H H 1 7.763 0.003 . 1 . . . . . 41 THR H . 52494 1 109 . 1 . 1 49 49 THR C C 13 171.591 0.000 . 1 . . . . . 41 THR C . 52494 1 110 . 1 . 1 49 49 THR CA C 13 61.483 0.028 . 1 . . . . . 41 THR CA . 52494 1 111 . 1 . 1 49 49 THR N N 15 115.975 0.019 . 1 . . . . . 41 THR N . 52494 1 112 . 1 . 1 50 50 LEU H H 1 9.019 0.003 . 1 . . . . . 42 LEU H . 52494 1 113 . 1 . 1 50 50 LEU C C 13 174.367 0.000 . 1 . . . . . 42 LEU C . 52494 1 114 . 1 . 1 50 50 LEU CA C 13 52.542 0.009 . 1 . . . . . 42 LEU CA . 52494 1 115 . 1 . 1 50 50 LEU N N 15 129.054 0.010 . 1 . . . . . 42 LEU N . 52494 1 116 . 1 . 1 51 51 SER H H 1 9.371 0.004 . 1 . . . . . 43 SER H . 52494 1 117 . 1 . 1 51 51 SER C C 13 173.421 0.000 . 1 . . . . . 43 SER C . 52494 1 118 . 1 . 1 51 51 SER CA C 13 56.358 0.029 . 1 . . . . . 43 SER CA . 52494 1 119 . 1 . 1 51 51 SER N N 15 122.644 0.017 . 1 . . . . . 43 SER N . 52494 1 120 . 1 . 1 52 52 LEU H H 1 8.999 0.004 . 1 . . . . . 44 LEU H . 52494 1 121 . 1 . 1 52 52 LEU CA C 13 53.343 0.015 . 1 . . . . . 44 LEU CA . 52494 1 122 . 1 . 1 52 52 LEU N N 15 125.216 0.022 . 1 . . . . . 44 LEU N . 52494 1 123 . 1 . 1 53 53 THR H H 1 8.626 0.002 . 1 . . . . . 45 THR H . 52494 1 124 . 1 . 1 53 53 THR C C 13 173.236 0.000 . 1 . . . . . 45 THR C . 52494 1 125 . 1 . 1 53 53 THR CA C 13 61.578 0.000 . 1 . . . . . 45 THR CA . 52494 1 126 . 1 . 1 53 53 THR N N 15 117.748 0.020 . 1 . . . . . 45 THR N . 52494 1 127 . 1 . 1 54 54 GLY H H 1 9.039 0.002 . 1 . . . . . 46 GLY H . 52494 1 128 . 1 . 1 54 54 GLY C C 13 172.071 0.000 . 1 . . . . . 46 GLY C . 52494 1 129 . 1 . 1 54 54 GLY CA C 13 43.631 0.012 . 1 . . . . . 46 GLY CA . 52494 1 130 . 1 . 1 54 54 GLY N N 15 112.541 0.018 . 1 . . . . . 46 GLY N . 52494 1 131 . 1 . 1 55 55 THR H H 1 9.799 0.002 . 1 . . . . . 47 THR H . 52494 1 132 . 1 . 1 55 55 THR CA C 13 59.466 0.000 . 1 . . . . . 47 THR CA . 52494 1 133 . 1 . 1 55 55 THR N N 15 118.106 0.023 . 1 . . . . . 47 THR N . 52494 1 134 . 1 . 1 56 56 ASP H H 1 7.831 0.000 . 1 . . . . . 48 ASP H . 52494 1 135 . 1 . 1 56 56 ASP N N 15 123.701 0.000 . 1 . . . . . 48 ASP N . 52494 1 136 . 1 . 1 57 57 LEU H H 1 8.743 0.000 . 1 . . . . . 49 LEU H . 52494 1 137 . 1 . 1 57 57 LEU N N 15 113.364 0.000 . 1 . . . . . 49 LEU N . 52494 1 138 . 1 . 1 58 58 GLU H H 1 8.656 0.006 . 1 . . . . . 50 GLU H . 52494 1 139 . 1 . 1 58 58 GLU CA C 13 57.527 0.000 . 1 . . . . . 50 GLU CA . 52494 1 140 . 1 . 1 58 58 GLU N N 15 121.531 0.013 . 1 . . . . . 50 GLU N . 52494 1 141 . 1 . 1 59 59 MET H H 1 9.199 0.006 . 1 . . . . . 51 MET H . 52494 1 142 . 1 . 1 59 59 MET C C 13 174.816 0.000 . 1 . . . . . 51 MET C . 52494 1 143 . 1 . 1 59 59 MET CA C 13 53.364 0.005 . 1 . . . . . 51 MET CA . 52494 1 144 . 1 . 1 59 59 MET N N 15 117.938 0.030 . 1 . . . . . 51 MET N . 52494 1 145 . 1 . 1 60 60 GLU H H 1 9.262 0.002 . 1 . . . . . 52 GLU H . 52494 1 146 . 1 . 1 60 60 GLU C C 13 173.754 0.000 . 1 . . . . . 52 GLU C . 52494 1 147 . 1 . 1 60 60 GLU CA C 13 54.750 0.006 . 1 . . . . . 52 GLU CA . 52494 1 148 . 1 . 1 60 60 GLU N N 15 123.882 0.022 . 1 . . . . . 52 GLU N . 52494 1 149 . 1 . 1 61 61 MET H H 1 9.167 0.003 . 1 . . . . . 53 MET H . 52494 1 150 . 1 . 1 61 61 MET C C 13 173.497 0.000 . 1 . . . . . 53 MET C . 52494 1 151 . 1 . 1 61 61 MET CA C 13 53.867 0.026 . 1 . . . . . 53 MET CA . 52494 1 152 . 1 . 1 61 61 MET N N 15 125.926 0.020 . 1 . . . . . 53 MET N . 52494 1 153 . 1 . 1 62 62 VAL H H 1 8.974 0.005 . 1 . . . . . 54 VAL H . 52494 1 154 . 1 . 1 62 62 VAL C C 13 175.154 0.000 . 1 . . . . . 54 VAL C . 52494 1 155 . 1 . 1 62 62 VAL CA C 13 59.824 0.009 . 1 . . . . . 54 VAL CA . 52494 1 156 . 1 . 1 62 62 VAL N N 15 125.421 0.044 . 1 . . . . . 54 VAL N . 52494 1 157 . 1 . 1 63 63 ALA H H 1 9.211 0.003 . 1 . . . . . 55 ALA H . 52494 1 158 . 1 . 1 63 63 ALA C C 13 175.846 0.000 . 1 . . . . . 55 ALA C . 52494 1 159 . 1 . 1 63 63 ALA CA C 13 49.647 0.019 . 1 . . . . . 55 ALA CA . 52494 1 160 . 1 . 1 63 63 ALA N N 15 127.517 0.026 . 1 . . . . . 55 ALA N . 52494 1 161 . 1 . 1 64 64 ARG H H 1 7.746 0.006 . 1 . . . . . 56 ARG H . 52494 1 162 . 1 . 1 64 64 ARG C C 13 175.365 0.000 . 1 . . . . . 56 ARG C . 52494 1 163 . 1 . 1 64 64 ARG CA C 13 54.559 0.029 . 1 . . . . . 56 ARG CA . 52494 1 164 . 1 . 1 64 64 ARG N N 15 119.398 0.045 . 1 . . . . . 56 ARG N . 52494 1 165 . 1 . 1 65 65 VAL H H 1 9.179 0.001 . 1 . . . . . 57 VAL H . 52494 1 166 . 1 . 1 65 65 VAL C C 13 174.369 0.000 . 1 . . . . . 57 VAL C . 52494 1 167 . 1 . 1 65 65 VAL CA C 13 60.309 0.006 . 1 . . . . . 57 VAL CA . 52494 1 168 . 1 . 1 65 65 VAL N N 15 123.370 0.006 . 1 . . . . . 57 VAL N . 52494 1 169 . 1 . 1 66 66 ALA H H 1 8.490 0.003 . 1 . . . . . 58 ALA H . 52494 1 170 . 1 . 1 66 66 ALA C C 13 177.128 0.000 . 1 . . . . . 58 ALA C . 52494 1 171 . 1 . 1 66 66 ALA CA C 13 52.356 0.002 . 1 . . . . . 58 ALA CA . 52494 1 172 . 1 . 1 66 66 ALA N N 15 130.011 0.020 . 1 . . . . . 58 ALA N . 52494 1 173 . 1 . 1 67 67 LEU H H 1 7.881 0.005 . 1 . . . . . 59 LEU H . 52494 1 174 . 1 . 1 67 67 LEU C C 13 176.460 0.000 . 1 . . . . . 59 LEU C . 52494 1 175 . 1 . 1 67 67 LEU CA C 13 52.983 0.030 . 1 . . . . . 59 LEU CA . 52494 1 176 . 1 . 1 67 67 LEU N N 15 121.490 0.014 . 1 . . . . . 59 LEU N . 52494 1 177 . 1 . 1 68 68 VAL H H 1 8.136 0.003 . 1 . . . . . 60 VAL H . 52494 1 178 . 1 . 1 68 68 VAL C C 13 176.792 0.000 . 1 . . . . . 60 VAL C . 52494 1 179 . 1 . 1 68 68 VAL CA C 13 61.823 0.052 . 1 . . . . . 60 VAL CA . 52494 1 180 . 1 . 1 68 68 VAL N N 15 118.473 0.015 . 1 . . . . . 60 VAL N . 52494 1 181 . 1 . 1 69 69 GLN H H 1 8.119 0.004 . 1 . . . . . 61 GLN H . 52494 1 182 . 1 . 1 69 69 GLN CA C 13 54.366 0.000 . 1 . . . . . 61 GLN CA . 52494 1 183 . 1 . 1 69 69 GLN N N 15 120.860 0.023 . 1 . . . . . 61 GLN N . 52494 1 184 . 1 . 1 70 70 PRO C C 13 175.185 0.000 . 1 . . . . . 62 PRO C . 52494 1 185 . 1 . 1 70 70 PRO CA C 13 64.085 0.000 . 1 . . . . . 62 PRO CA . 52494 1 186 . 1 . 1 71 71 HIS H H 1 8.045 0.004 . 1 . . . . . 63 HIS H . 52494 1 187 . 1 . 1 71 71 HIS C C 13 172.966 0.000 . 1 . . . . . 63 HIS C . 52494 1 188 . 1 . 1 71 71 HIS CA C 13 54.652 0.001 . 1 . . . . . 63 HIS CA . 52494 1 189 . 1 . 1 71 71 HIS N N 15 120.470 0.015 . 1 . . . . . 63 HIS N . 52494 1 190 . 1 . 1 72 72 GLU H H 1 9.218 0.003 . 1 . . . . . 64 GLU H . 52494 1 191 . 1 . 1 72 72 GLU CA C 13 52.511 0.000 . 1 . . . . . 64 GLU CA . 52494 1 192 . 1 . 1 72 72 GLU N N 15 120.823 0.020 . 1 . . . . . 64 GLU N . 52494 1 193 . 1 . 1 73 73 PRO CA C 13 61.992 0.000 . 1 . . . . . 65 PRO CA . 52494 1 194 . 1 . 1 74 74 GLY H H 1 7.941 0.004 . 1 . . . . . 66 GLY H . 52494 1 195 . 1 . 1 74 74 GLY C C 13 171.016 0.000 . 1 . . . . . 66 GLY C . 52494 1 196 . 1 . 1 74 74 GLY CA C 13 44.665 0.001 . 1 . . . . . 66 GLY CA . 52494 1 197 . 1 . 1 74 74 GLY N N 15 104.034 0.006 . 1 . . . . . 66 GLY N . 52494 1 198 . 1 . 1 75 75 ALA H H 1 8.184 0.005 . 1 . . . . . 67 ALA H . 52494 1 199 . 1 . 1 75 75 ALA CA C 13 51.468 0.002 . 1 . . . . . 67 ALA CA . 52494 1 200 . 1 . 1 75 75 ALA N N 15 120.884 0.010 . 1 . . . . . 67 ALA N . 52494 1 201 . 1 . 1 76 76 THR H H 1 8.789 0.005 . 1 . . . . . 68 THR H . 52494 1 202 . 1 . 1 76 76 THR CA C 13 61.159 0.015 . 1 . . . . . 68 THR CA . 52494 1 203 . 1 . 1 76 76 THR N N 15 115.124 0.042 . 1 . . . . . 68 THR N . 52494 1 204 . 1 . 1 77 77 THR H H 1 8.395 0.004 . 1 . . . . . 69 THR H . 52494 1 205 . 1 . 1 77 77 THR CA C 13 59.793 0.047 . 1 . . . . . 69 THR CA . 52494 1 206 . 1 . 1 77 77 THR N N 15 114.434 0.010 . 1 . . . . . 69 THR N . 52494 1 207 . 1 . 1 78 78 VAL H H 1 8.277 0.003 . 1 . . . . . 70 VAL H . 52494 1 208 . 1 . 1 78 78 VAL CA C 13 56.584 0.000 . 1 . . . . . 70 VAL CA . 52494 1 209 . 1 . 1 78 78 VAL N N 15 115.739 0.007 . 1 . . . . . 70 VAL N . 52494 1 210 . 1 . 1 79 79 PRO C C 13 178.395 0.000 . 1 . . . . . 71 PRO C . 52494 1 211 . 1 . 1 79 79 PRO CA C 13 63.087 0.000 . 1 . . . . . 71 PRO CA . 52494 1 212 . 1 . 1 80 80 ALA H H 1 8.580 0.003 . 1 . . . . . 72 ALA H . 52494 1 213 . 1 . 1 80 80 ALA C C 13 179.075 0.000 . 1 . . . . . 72 ALA C . 52494 1 214 . 1 . 1 80 80 ALA CA C 13 56.249 0.005 . 1 . . . . . 72 ALA CA . 52494 1 215 . 1 . 1 80 80 ALA N N 15 129.160 0.014 . 1 . . . . . 72 ALA N . 52494 1 216 . 1 . 1 81 81 ARG H H 1 8.477 0.004 . 1 . . . . . 73 ARG H . 52494 1 217 . 1 . 1 81 81 ARG C C 13 178.698 0.000 . 1 . . . . . 73 ARG C . 52494 1 218 . 1 . 1 81 81 ARG CA C 13 58.451 0.011 . 1 . . . . . 73 ARG CA . 52494 1 219 . 1 . 1 81 81 ARG N N 15 117.481 0.017 . 1 . . . . . 73 ARG N . 52494 1 220 . 1 . 1 82 82 LYS H H 1 7.610 0.004 . 1 . . . . . 74 LYS H . 52494 1 221 . 1 . 1 82 82 LYS C C 13 177.839 0.000 . 1 . . . . . 74 LYS C . 52494 1 222 . 1 . 1 82 82 LYS CA C 13 59.649 0.022 . 1 . . . . . 74 LYS CA . 52494 1 223 . 1 . 1 82 82 LYS N N 15 116.915 0.045 . 1 . . . . . 74 LYS N . 52494 1 224 . 1 . 1 83 83 PHE H H 1 7.715 0.004 . 1 . . . . . 75 PHE H . 52494 1 225 . 1 . 1 83 83 PHE CA C 13 59.563 0.067 . 1 . . . . . 75 PHE CA . 52494 1 226 . 1 . 1 83 83 PHE N N 15 116.399 0.031 . 1 . . . . . 75 PHE N . 52494 1 227 . 1 . 1 84 84 PHE H H 1 8.461 0.003 . 1 . . . . . 76 PHE H . 52494 1 228 . 1 . 1 84 84 PHE CA C 13 59.598 0.034 . 1 . . . . . 76 PHE CA . 52494 1 229 . 1 . 1 84 84 PHE N N 15 118.652 0.007 . 1 . . . . . 76 PHE N . 52494 1 230 . 1 . 1 85 85 ASP H H 1 8.849 0.004 . 1 . . . . . 77 ASP H . 52494 1 231 . 1 . 1 85 85 ASP CA C 13 57.419 0.013 . 1 . . . . . 77 ASP CA . 52494 1 232 . 1 . 1 85 85 ASP N N 15 119.973 0.002 . 1 . . . . . 77 ASP N . 52494 1 233 . 1 . 1 86 86 ILE H H 1 7.993 0.004 . 1 . . . . . 78 ILE H . 52494 1 234 . 1 . 1 86 86 ILE CA C 13 65.331 0.028 . 1 . . . . . 78 ILE CA . 52494 1 235 . 1 . 1 86 86 ILE N N 15 122.201 0.021 . 1 . . . . . 78 ILE N . 52494 1 236 . 1 . 1 87 87 CYS H H 1 7.280 0.004 . 1 . . . . . 79 CYS H . 52494 1 237 . 1 . 1 87 87 CYS CA C 13 63.554 0.006 . 1 . . . . . 79 CYS CA . 52494 1 238 . 1 . 1 87 87 CYS N N 15 115.519 0.006 . 1 . . . . . 79 CYS N . 52494 1 239 . 1 . 1 88 88 ARG H H 1 8.566 0.003 . 1 . . . . . 80 ARG H . 52494 1 240 . 1 . 1 88 88 ARG CA C 13 57.962 0.000 . 1 . . . . . 80 ARG CA . 52494 1 241 . 1 . 1 88 88 ARG N N 15 116.899 0.046 . 1 . . . . . 80 ARG N . 52494 1 242 . 1 . 1 89 89 GLY H H 1 7.556 0.004 . 1 . . . . . 81 GLY H . 52494 1 243 . 1 . 1 89 89 GLY C C 13 175.067 0.000 . 1 . . . . . 81 GLY C . 52494 1 244 . 1 . 1 89 89 GLY CA C 13 44.673 0.035 . 1 . . . . . 81 GLY CA . 52494 1 245 . 1 . 1 89 89 GLY N N 15 105.850 0.014 . 1 . . . . . 81 GLY N . 52494 1 246 . 1 . 1 90 90 LEU H H 1 6.989 0.003 . 1 . . . . . 82 LEU H . 52494 1 247 . 1 . 1 90 90 LEU CA C 13 53.768 0.000 . 1 . . . . . 82 LEU CA . 52494 1 248 . 1 . 1 90 90 LEU N N 15 125.626 0.027 . 1 . . . . . 82 LEU N . 52494 1 249 . 1 . 1 91 91 PRO C C 13 175.510 0.000 . 1 . . . . . 83 PRO C . 52494 1 250 . 1 . 1 91 91 PRO CA C 13 62.129 0.000 . 1 . . . . . 83 PRO CA . 52494 1 251 . 1 . 1 92 92 GLU H H 1 8.026 0.004 . 1 . . . . . 84 GLU H . 52494 1 252 . 1 . 1 92 92 GLU C C 13 178.810 0.000 . 1 . . . . . 84 GLU C . 52494 1 253 . 1 . 1 92 92 GLU CA C 13 57.247 0.010 . 1 . . . . . 84 GLU CA . 52494 1 254 . 1 . 1 92 92 GLU N N 15 118.732 0.013 . 1 . . . . . 84 GLU N . 52494 1 255 . 1 . 1 93 93 GLY H H 1 10.080 0.003 . 1 . . . . . 85 GLY H . 52494 1 256 . 1 . 1 93 93 GLY C C 13 174.859 0.000 . 1 . . . . . 85 GLY C . 52494 1 257 . 1 . 1 93 93 GLY CA C 13 44.611 0.016 . 1 . . . . . 85 GLY CA . 52494 1 258 . 1 . 1 93 93 GLY N N 15 116.310 0.018 . 1 . . . . . 85 GLY N . 52494 1 259 . 1 . 1 94 94 ALA H H 1 7.755 0.005 . 1 . . . . . 86 ALA H . 52494 1 260 . 1 . 1 94 94 ALA C C 13 176.831 0.000 . 1 . . . . . 86 ALA C . 52494 1 261 . 1 . 1 94 94 ALA CA C 13 52.517 0.032 . 1 . . . . . 86 ALA CA . 52494 1 262 . 1 . 1 94 94 ALA N N 15 122.447 0.023 . 1 . . . . . 86 ALA N . 52494 1 263 . 1 . 1 95 95 GLU H H 1 8.735 0.004 . 1 . . . . . 87 GLU H . 52494 1 264 . 1 . 1 95 95 GLU C C 13 176.057 0.000 . 1 . . . . . 87 GLU C . 52494 1 265 . 1 . 1 95 95 GLU CA C 13 55.845 0.019 . 1 . . . . . 87 GLU CA . 52494 1 266 . 1 . 1 95 95 GLU N N 15 122.072 0.014 . 1 . . . . . 87 GLU N . 52494 1 267 . 1 . 1 96 96 ILE H H 1 9.141 0.006 . 1 . . . . . 88 ILE H . 52494 1 268 . 1 . 1 96 96 ILE C C 13 172.942 0.000 . 1 . . . . . 88 ILE C . 52494 1 269 . 1 . 1 96 96 ILE CA C 13 61.254 0.007 . 1 . . . . . 88 ILE CA . 52494 1 270 . 1 . 1 96 96 ILE N N 15 128.757 0.007 . 1 . . . . . 88 ILE N . 52494 1 271 . 1 . 1 97 97 ALA H H 1 8.850 0.005 . 1 . . . . . 89 ALA H . 52494 1 272 . 1 . 1 97 97 ALA C C 13 176.564 0.000 . 1 . . . . . 89 ALA C . 52494 1 273 . 1 . 1 97 97 ALA CA C 13 50.527 0.033 . 1 . . . . . 89 ALA CA . 52494 1 274 . 1 . 1 97 97 ALA N N 15 130.571 0.019 . 1 . . . . . 89 ALA N . 52494 1 275 . 1 . 1 98 98 VAL H H 1 8.823 0.004 . 1 . . . . . 90 VAL H . 52494 1 276 . 1 . 1 98 98 VAL C C 13 175.395 0.000 . 1 . . . . . 90 VAL C . 52494 1 277 . 1 . 1 98 98 VAL CA C 13 59.876 0.029 . 1 . . . . . 90 VAL CA . 52494 1 278 . 1 . 1 98 98 VAL N N 15 125.036 0.029 . 1 . . . . . 90 VAL N . 52494 1 279 . 1 . 1 99 99 GLN H H 1 8.613 0.005 . 1 . . . . . 91 GLN H . 52494 1 280 . 1 . 1 99 99 GLN C C 13 173.701 0.000 . 1 . . . . . 91 GLN C . 52494 1 281 . 1 . 1 99 99 GLN CA C 13 54.094 0.000 . 1 . . . . . 91 GLN CA . 52494 1 282 . 1 . 1 99 99 GLN N N 15 123.262 0.010 . 1 . . . . . 91 GLN N . 52494 1 283 . 1 . 1 100 100 LEU H H 1 8.441 0.004 . 1 . . . . . 92 LEU H . 52494 1 284 . 1 . 1 100 100 LEU C C 13 176.132 0.000 . 1 . . . . . 92 LEU C . 52494 1 285 . 1 . 1 100 100 LEU CA C 13 54.207 0.002 . 1 . . . . . 92 LEU CA . 52494 1 286 . 1 . 1 100 100 LEU N N 15 124.791 0.010 . 1 . . . . . 92 LEU N . 52494 1 287 . 1 . 1 101 101 GLU H H 1 8.797 0.004 . 1 . . . . . 93 GLU H . 52494 1 288 . 1 . 1 101 101 GLU CA C 13 54.937 0.000 . 1 . . . . . 93 GLU CA . 52494 1 289 . 1 . 1 101 101 GLU N N 15 126.921 0.022 . 1 . . . . . 93 GLU N . 52494 1 290 . 1 . 1 103 103 GLU C C 13 176.352 0.000 . 1 . . . . . 95 GLU C . 52494 1 291 . 1 . 1 103 103 GLU CA C 13 55.608 0.000 . 1 . . . . . 95 GLU CA . 52494 1 292 . 1 . 1 104 104 ARG H H 1 7.923 0.004 . 1 . . . . . 96 ARG H . 52494 1 293 . 1 . 1 104 104 ARG C C 13 174.108 0.000 . 1 . . . . . 96 ARG C . 52494 1 294 . 1 . 1 104 104 ARG CA C 13 54.024 0.021 . 1 . . . . . 96 ARG CA . 52494 1 295 . 1 . 1 104 104 ARG N N 15 121.457 0.009 . 1 . . . . . 96 ARG N . 52494 1 296 . 1 . 1 105 105 MET H H 1 9.161 0.005 . 1 . . . . . 97 MET H . 52494 1 297 . 1 . 1 105 105 MET C C 13 173.557 0.000 . 1 . . . . . 97 MET C . 52494 1 298 . 1 . 1 105 105 MET CA C 13 54.437 0.010 . 1 . . . . . 97 MET CA . 52494 1 299 . 1 . 1 105 105 MET N N 15 122.900 0.012 . 1 . . . . . 97 MET N . 52494 1 300 . 1 . 1 106 106 LEU H H 1 9.022 0.006 . 1 . . . . . 98 LEU H . 52494 1 301 . 1 . 1 106 106 LEU C C 13 176.157 0.000 . 1 . . . . . 98 LEU C . 52494 1 302 . 1 . 1 106 106 LEU CA C 13 52.990 0.023 . 1 . . . . . 98 LEU CA . 52494 1 303 . 1 . 1 106 106 LEU N N 15 130.242 0.018 . 1 . . . . . 98 LEU N . 52494 1 304 . 1 . 1 107 107 VAL H H 1 9.298 0.005 . 1 . . . . . 99 VAL H . 52494 1 305 . 1 . 1 107 107 VAL C C 13 174.989 0.000 . 1 . . . . . 99 VAL C . 52494 1 306 . 1 . 1 107 107 VAL CA C 13 60.497 0.032 . 1 . . . . . 99 VAL CA . 52494 1 307 . 1 . 1 107 107 VAL N N 15 124.863 0.010 . 1 . . . . . 99 VAL N . 52494 1 308 . 1 . 1 108 108 ARG H H 1 9.383 0.003 . 1 . . . . . 100 ARG H . 52494 1 309 . 1 . 1 108 108 ARG C C 13 175.725 0.000 . 1 . . . . . 100 ARG C . 52494 1 310 . 1 . 1 108 108 ARG CA C 13 54.384 0.000 . 1 . . . . . 100 ARG CA . 52494 1 311 . 1 . 1 108 108 ARG N N 15 126.370 0.021 . 1 . . . . . 100 ARG N . 52494 1 312 . 1 . 1 109 109 SER H H 1 8.177 0.004 . 1 . . . . . 101 SER H . 52494 1 313 . 1 . 1 109 109 SER CA C 13 57.672 0.000 . 1 . . . . . 101 SER CA . 52494 1 314 . 1 . 1 109 109 SER N N 15 116.853 0.037 . 1 . . . . . 101 SER N . 52494 1 315 . 1 . 1 111 111 ARG C C 13 175.231 0.000 . 1 . . . . . 103 ARG C . 52494 1 316 . 1 . 1 111 111 ARG CA C 13 55.655 0.000 . 1 . . . . . 103 ARG CA . 52494 1 317 . 1 . 1 112 112 SER H H 1 8.492 0.005 . 1 . . . . . 104 SER H . 52494 1 318 . 1 . 1 112 112 SER C C 13 173.763 0.000 . 1 . . . . . 104 SER C . 52494 1 319 . 1 . 1 112 112 SER CA C 13 58.136 0.004 . 1 . . . . . 104 SER CA . 52494 1 320 . 1 . 1 112 112 SER N N 15 118.218 0.013 . 1 . . . . . 104 SER N . 52494 1 321 . 1 . 1 113 113 ARG H H 1 8.652 0.005 . 1 . . . . . 105 ARG H . 52494 1 322 . 1 . 1 113 113 ARG C C 13 173.172 0.000 . 1 . . . . . 105 ARG C . 52494 1 323 . 1 . 1 113 113 ARG CA C 13 54.771 0.027 . 1 . . . . . 105 ARG CA . 52494 1 324 . 1 . 1 113 113 ARG N N 15 126.205 0.012 . 1 . . . . . 105 ARG N . 52494 1 325 . 1 . 1 114 114 PHE H H 1 9.152 0.003 . 1 . . . . . 106 PHE H . 52494 1 326 . 1 . 1 114 114 PHE C C 13 174.596 0.000 . 1 . . . . . 106 PHE C . 52494 1 327 . 1 . 1 114 114 PHE CA C 13 55.438 0.012 . 1 . . . . . 106 PHE CA . 52494 1 328 . 1 . 1 114 114 PHE N N 15 121.674 0.019 . 1 . . . . . 106 PHE N . 52494 1 329 . 1 . 1 115 115 SER H H 1 9.247 0.004 . 1 . . . . . 107 SER H . 52494 1 330 . 1 . 1 115 115 SER C C 13 173.523 0.000 . 1 . . . . . 107 SER C . 52494 1 331 . 1 . 1 115 115 SER CA C 13 56.094 0.029 . 1 . . . . . 107 SER CA . 52494 1 332 . 1 . 1 115 115 SER N N 15 118.966 0.024 . 1 . . . . . 107 SER N . 52494 1 333 . 1 . 1 116 116 LEU H H 1 9.019 0.005 . 1 . . . . . 108 LEU H . 52494 1 334 . 1 . 1 116 116 LEU C C 13 176.448 0.000 . 1 . . . . . 108 LEU C . 52494 1 335 . 1 . 1 116 116 LEU CA C 13 52.877 0.012 . 1 . . . . . 108 LEU CA . 52494 1 336 . 1 . 1 116 116 LEU N N 15 123.449 0.013 . 1 . . . . . 108 LEU N . 52494 1 337 . 1 . 1 117 117 SER H H 1 9.927 0.003 . 1 . . . . . 109 SER H . 52494 1 338 . 1 . 1 117 117 SER C C 13 172.682 0.000 . 1 . . . . . 109 SER C . 52494 1 339 . 1 . 1 117 117 SER CA C 13 58.669 0.030 . 1 . . . . . 109 SER CA . 52494 1 340 . 1 . 1 117 117 SER N N 15 119.513 0.033 . 1 . . . . . 109 SER N . 52494 1 341 . 1 . 1 118 118 THR H H 1 7.558 0.004 . 1 . . . . . 110 THR H . 52494 1 342 . 1 . 1 118 118 THR CA C 13 59.385 0.000 . 1 . . . . . 110 THR CA . 52494 1 343 . 1 . 1 118 118 THR N N 15 107.604 0.017 . 1 . . . . . 110 THR N . 52494 1 344 . 1 . 1 120 120 PRO C C 13 177.396 0.000 . 1 . . . . . 112 PRO C . 52494 1 345 . 1 . 1 120 120 PRO CA C 13 63.048 0.000 . 1 . . . . . 112 PRO CA . 52494 1 346 . 1 . 1 121 121 ALA H H 1 8.618 0.004 . 1 . . . . . 113 ALA H . 52494 1 347 . 1 . 1 121 121 ALA C C 13 180.073 0.000 . 1 . . . . . 113 ALA C . 52494 1 348 . 1 . 1 121 121 ALA CA C 13 54.459 0.026 . 1 . . . . . 113 ALA CA . 52494 1 349 . 1 . 1 121 121 ALA N N 15 125.018 0.011 . 1 . . . . . 113 ALA N . 52494 1 350 . 1 . 1 122 122 ALA H H 1 8.283 0.009 . 1 . . . . . 114 ALA H . 52494 1 351 . 1 . 1 122 122 ALA C C 13 177.984 0.000 . 1 . . . . . 114 ALA C . 52494 1 352 . 1 . 1 122 122 ALA CA C 13 53.654 0.009 . 1 . . . . . 114 ALA CA . 52494 1 353 . 1 . 1 122 122 ALA N N 15 118.533 0.020 . 1 . . . . . 114 ALA N . 52494 1 354 . 1 . 1 123 123 ASP H H 1 7.369 0.007 . 1 . . . . . 115 ASP H . 52494 1 355 . 1 . 1 123 123 ASP C C 13 175.753 0.000 . 1 . . . . . 115 ASP C . 52494 1 356 . 1 . 1 123 123 ASP CA C 13 53.844 0.017 . 1 . . . . . 115 ASP CA . 52494 1 357 . 1 . 1 123 123 ASP N N 15 116.227 0.019 . 1 . . . . . 115 ASP N . 52494 1 358 . 1 . 1 124 124 PHE H H 1 7.798 0.005 . 1 . . . . . 116 PHE H . 52494 1 359 . 1 . 1 124 124 PHE CA C 13 57.186 0.000 . 1 . . . . . 116 PHE CA . 52494 1 360 . 1 . 1 124 124 PHE N N 15 125.995 0.010 . 1 . . . . . 116 PHE N . 52494 1 361 . 1 . 1 125 125 PRO C C 13 174.507 0.000 . 1 . . . . . 117 PRO C . 52494 1 362 . 1 . 1 125 125 PRO CA C 13 62.590 0.000 . 1 . . . . . 117 PRO CA . 52494 1 363 . 1 . 1 126 126 ASN H H 1 8.045 0.004 . 1 . . . . . 118 ASN H . 52494 1 364 . 1 . 1 126 126 ASN C C 13 175.167 0.000 . 1 . . . . . 118 ASN C . 52494 1 365 . 1 . 1 126 126 ASN CA C 13 52.231 0.003 . 1 . . . . . 118 ASN CA . 52494 1 366 . 1 . 1 126 126 ASN N N 15 118.378 0.018 . 1 . . . . . 118 ASN N . 52494 1 367 . 1 . 1 127 127 LEU H H 1 8.720 0.004 . 1 . . . . . 119 LEU H . 52494 1 368 . 1 . 1 127 127 LEU C C 13 177.397 0.000 . 1 . . . . . 119 LEU C . 52494 1 369 . 1 . 1 127 127 LEU CA C 13 54.349 0.029 . 1 . . . . . 119 LEU CA . 52494 1 370 . 1 . 1 127 127 LEU N N 15 124.965 0.018 . 1 . . . . . 119 LEU N . 52494 1 371 . 1 . 1 128 128 ASP H H 1 8.263 0.004 . 1 . . . . . 120 ASP H . 52494 1 372 . 1 . 1 128 128 ASP C C 13 176.340 0.000 . 1 . . . . . 120 ASP C . 52494 1 373 . 1 . 1 128 128 ASP CA C 13 54.366 0.008 . 1 . . . . . 120 ASP CA . 52494 1 374 . 1 . 1 128 128 ASP N N 15 121.858 0.018 . 1 . . . . . 120 ASP N . 52494 1 375 . 1 . 1 129 129 ASP H H 1 8.342 0.003 . 1 . . . . . 121 ASP H . 52494 1 376 . 1 . 1 129 129 ASP C C 13 175.043 0.000 . 1 . . . . . 121 ASP C . 52494 1 377 . 1 . 1 129 129 ASP CA C 13 54.080 0.002 . 1 . . . . . 121 ASP CA . 52494 1 378 . 1 . 1 129 129 ASP N N 15 121.423 0.012 . 1 . . . . . 121 ASP N . 52494 1 379 . 1 . 1 130 130 TRP H H 1 7.514 0.004 . 1 . . . . . 122 TRP H . 52494 1 380 . 1 . 1 130 130 TRP CA C 13 54.734 0.000 . 1 . . . . . 122 TRP CA . 52494 1 381 . 1 . 1 130 130 TRP N N 15 118.837 0.028 . 1 . . . . . 122 TRP N . 52494 1 382 . 1 . 1 132 132 SER C C 13 174.466 0.000 . 1 . . . . . 124 SER C . 52494 1 383 . 1 . 1 132 132 SER CA C 13 58.976 0.000 . 1 . . . . . 124 SER CA . 52494 1 384 . 1 . 1 133 133 GLU H H 1 9.262 0.005 . 1 . . . . . 125 GLU H . 52494 1 385 . 1 . 1 133 133 GLU C C 13 176.334 0.000 . 1 . . . . . 125 GLU C . 52494 1 386 . 1 . 1 133 133 GLU CA C 13 56.997 0.021 . 1 . . . . . 125 GLU CA . 52494 1 387 . 1 . 1 133 133 GLU N N 15 124.109 0.015 . 1 . . . . . 125 GLU N . 52494 1 388 . 1 . 1 134 134 VAL H H 1 7.930 0.005 . 1 . . . . . 126 VAL H . 52494 1 389 . 1 . 1 134 134 VAL C C 13 172.778 0.000 . 1 . . . . . 126 VAL C . 52494 1 390 . 1 . 1 134 134 VAL CA C 13 60.544 0.018 . 1 . . . . . 126 VAL CA . 52494 1 391 . 1 . 1 134 134 VAL N N 15 118.400 0.020 . 1 . . . . . 126 VAL N . 52494 1 392 . 1 . 1 135 135 GLU H H 1 8.317 0.004 . 1 . . . . . 127 GLU H . 52494 1 393 . 1 . 1 135 135 GLU C C 13 174.613 0.000 . 1 . . . . . 127 GLU C . 52494 1 394 . 1 . 1 135 135 GLU CA C 13 54.090 0.017 . 1 . . . . . 127 GLU CA . 52494 1 395 . 1 . 1 135 135 GLU N N 15 125.174 0.017 . 1 . . . . . 127 GLU N . 52494 1 396 . 1 . 1 136 136 PHE H H 1 8.425 0.005 . 1 . . . . . 128 PHE H . 52494 1 397 . 1 . 1 136 136 PHE C C 13 172.814 0.000 . 1 . . . . . 128 PHE C . 52494 1 398 . 1 . 1 136 136 PHE CA C 13 56.022 0.009 . 1 . . . . . 128 PHE CA . 52494 1 399 . 1 . 1 136 136 PHE N N 15 118.220 0.016 . 1 . . . . . 128 PHE N . 52494 1 400 . 1 . 1 137 137 THR H H 1 8.381 0.004 . 1 . . . . . 129 THR H . 52494 1 401 . 1 . 1 137 137 THR C C 13 173.290 0.000 . 1 . . . . . 129 THR C . 52494 1 402 . 1 . 1 137 137 THR CA C 13 59.926 0.012 . 1 . . . . . 129 THR CA . 52494 1 403 . 1 . 1 137 137 THR N N 15 113.925 0.021 . 1 . . . . . 129 THR N . 52494 1 404 . 1 . 1 138 138 LEU H H 1 8.934 0.004 . 1 . . . . . 130 LEU H . 52494 1 405 . 1 . 1 138 138 LEU CA C 13 53.917 0.000 . 1 . . . . . 130 LEU CA . 52494 1 406 . 1 . 1 138 138 LEU N N 15 123.808 0.033 . 1 . . . . . 130 LEU N . 52494 1 407 . 1 . 1 139 139 PRO C C 13 179.052 0.000 . 1 . . . . . 131 PRO C . 52494 1 408 . 1 . 1 139 139 PRO CA C 13 62.292 0.000 . 1 . . . . . 131 PRO CA . 52494 1 409 . 1 . 1 140 140 GLN H H 1 9.256 0.005 . 1 . . . . . 132 GLN H . 52494 1 410 . 1 . 1 140 140 GLN C C 13 178.768 0.000 . 1 . . . . . 132 GLN C . 52494 1 411 . 1 . 1 140 140 GLN CA C 13 60.426 0.013 . 1 . . . . . 132 GLN CA . 52494 1 412 . 1 . 1 140 140 GLN N N 15 125.470 0.015 . 1 . . . . . 132 GLN N . 52494 1 413 . 1 . 1 141 141 ALA H H 1 8.873 0.002 . 1 . . . . . 133 ALA H . 52494 1 414 . 1 . 1 141 141 ALA CA C 13 54.692 0.011 . 1 . . . . . 133 ALA CA . 52494 1 415 . 1 . 1 141 141 ALA N N 15 118.217 0.017 . 1 . . . . . 133 ALA N . 52494 1 416 . 1 . 1 142 142 THR H H 1 7.254 0.003 . 1 . . . . . 134 THR H . 52494 1 417 . 1 . 1 142 142 THR CA C 13 66.009 0.000 . 1 . . . . . 134 THR CA . 52494 1 418 . 1 . 1 142 142 THR N N 15 115.248 0.002 . 1 . . . . . 134 THR N . 52494 1 419 . 1 . 1 143 143 MET H H 1 7.055 0.004 . 1 . . . . . 135 MET H . 52494 1 420 . 1 . 1 143 143 MET C C 13 176.688 0.000 . 1 . . . . . 135 MET C . 52494 1 421 . 1 . 1 143 143 MET CA C 13 57.031 0.040 . 1 . . . . . 135 MET CA . 52494 1 422 . 1 . 1 143 143 MET N N 15 120.389 0.000 . 1 . . . . . 135 MET N . 52494 1 423 . 1 . 1 144 144 LYS H H 1 8.505 0.003 . 1 . . . . . 136 LYS H . 52494 1 424 . 1 . 1 144 144 LYS C C 13 177.385 0.000 . 1 . . . . . 136 LYS C . 52494 1 425 . 1 . 1 144 144 LYS CA C 13 60.014 0.027 . 1 . . . . . 136 LYS CA . 52494 1 426 . 1 . 1 144 144 LYS N N 15 118.061 0.004 . 1 . . . . . 136 LYS N . 52494 1 427 . 1 . 1 145 145 ARG H H 1 7.520 0.002 . 1 . . . . . 137 ARG H . 52494 1 428 . 1 . 1 145 145 ARG CA C 13 58.436 0.000 . 1 . . . . . 137 ARG CA . 52494 1 429 . 1 . 1 145 145 ARG N N 15 118.703 0.006 . 1 . . . . . 137 ARG N . 52494 1 430 . 1 . 1 153 153 SER H H 1 6.867 0.001 . 1 . . . . . 145 SER H . 52494 1 431 . 1 . 1 153 153 SER CA C 13 57.805 0.004 . 1 . . . . . 145 SER CA . 52494 1 432 . 1 . 1 153 153 SER N N 15 113.723 0.000 . 1 . . . . . 145 SER N . 52494 1 433 . 1 . 1 154 154 MET H H 1 6.690 0.002 . 1 . . . . . 146 MET H . 52494 1 434 . 1 . 1 154 154 MET CA C 13 56.294 0.000 . 1 . . . . . 146 MET CA . 52494 1 435 . 1 . 1 154 154 MET N N 15 114.996 0.013 . 1 . . . . . 146 MET N . 52494 1 436 . 1 . 1 155 155 ALA CA C 13 51.928 0.000 . 1 . . . . . 147 ALA CA . 52494 1 437 . 1 . 1 156 156 HIS H H 1 8.293 0.003 . 1 . . . . . 148 HIS H . 52494 1 438 . 1 . 1 156 156 HIS CA C 13 56.345 0.000 . 1 . . . . . 148 HIS CA . 52494 1 439 . 1 . 1 156 156 HIS N N 15 118.213 0.041 . 1 . . . . . 148 HIS N . 52494 1 440 . 1 . 1 165 165 GLY CA C 13 45.969 0.000 . 1 . . . . . 157 GLY CA . 52494 1 441 . 1 . 1 166 166 MET H H 1 8.927 0.003 . 1 . . . . . 158 MET H . 52494 1 442 . 1 . 1 166 166 MET CA C 13 53.967 0.007 . 1 . . . . . 158 MET CA . 52494 1 443 . 1 . 1 166 166 MET N N 15 121.548 0.025 . 1 . . . . . 158 MET N . 52494 1 444 . 1 . 1 167 167 LEU H H 1 8.490 0.001 . 1 . . . . . 159 LEU H . 52494 1 445 . 1 . 1 167 167 LEU CA C 13 53.939 0.003 . 1 . . . . . 159 LEU CA . 52494 1 446 . 1 . 1 167 167 LEU N N 15 130.605 0.006 . 1 . . . . . 159 LEU N . 52494 1 447 . 1 . 1 168 168 PHE H H 1 9.464 0.007 . 1 . . . . . 160 PHE H . 52494 1 448 . 1 . 1 168 168 PHE CA C 13 55.663 0.019 . 1 . . . . . 160 PHE CA . 52494 1 449 . 1 . 1 168 168 PHE N N 15 127.166 0.013 . 1 . . . . . 160 PHE N . 52494 1 450 . 1 . 1 169 169 GLU H H 1 9.447 0.003 . 1 . . . . . 161 GLU H . 52494 1 451 . 1 . 1 169 169 GLU C C 13 175.091 0.000 . 1 . . . . . 161 GLU C . 52494 1 452 . 1 . 1 169 169 GLU CA C 13 53.493 0.026 . 1 . . . . . 161 GLU CA . 52494 1 453 . 1 . 1 169 169 GLU N N 15 122.466 0.024 . 1 . . . . . 161 GLU N . 52494 1 454 . 1 . 1 170 170 THR H H 1 8.942 0.004 . 1 . . . . . 162 THR H . 52494 1 455 . 1 . 1 170 170 THR C C 13 175.234 0.000 . 1 . . . . . 162 THR C . 52494 1 456 . 1 . 1 170 170 THR CA C 13 58.384 0.013 . 1 . . . . . 162 THR CA . 52494 1 457 . 1 . 1 170 170 THR N N 15 114.415 0.023 . 1 . . . . . 162 THR N . 52494 1 458 . 1 . 1 171 171 GLU H H 1 8.263 0.004 . 1 . . . . . 163 GLU H . 52494 1 459 . 1 . 1 171 171 GLU C C 13 175.942 0.000 . 1 . . . . . 163 GLU C . 52494 1 460 . 1 . 1 171 171 GLU CA C 13 56.516 0.007 . 1 . . . . . 163 GLU CA . 52494 1 461 . 1 . 1 171 171 GLU N N 15 122.602 0.024 . 1 . . . . . 163 GLU N . 52494 1 462 . 1 . 1 172 172 GLY H H 1 9.188 0.004 . 1 . . . . . 164 GLY H . 52494 1 463 . 1 . 1 172 172 GLY C C 13 173.653 0.000 . 1 . . . . . 164 GLY C . 52494 1 464 . 1 . 1 172 172 GLY CA C 13 47.168 0.002 . 1 . . . . . 164 GLY CA . 52494 1 465 . 1 . 1 172 172 GLY N N 15 120.294 0.028 . 1 . . . . . 164 GLY N . 52494 1 466 . 1 . 1 173 173 GLU H H 1 8.546 0.004 . 1 . . . . . 165 GLU H . 52494 1 467 . 1 . 1 173 173 GLU C C 13 175.599 0.000 . 1 . . . . . 165 GLU C . 52494 1 468 . 1 . 1 173 173 GLU CA C 13 54.610 0.028 . 1 . . . . . 165 GLU CA . 52494 1 469 . 1 . 1 173 173 GLU N N 15 126.679 0.012 . 1 . . . . . 165 GLU N . 52494 1 470 . 1 . 1 174 174 GLU H H 1 8.156 0.003 . 1 . . . . . 166 GLU H . 52494 1 471 . 1 . 1 174 174 GLU C C 13 173.644 0.000 . 1 . . . . . 166 GLU C . 52494 1 472 . 1 . 1 174 174 GLU CA C 13 55.338 0.009 . 1 . . . . . 166 GLU CA . 52494 1 473 . 1 . 1 174 174 GLU N N 15 119.673 0.033 . 1 . . . . . 166 GLU N . 52494 1 474 . 1 . 1 175 175 LEU H H 1 8.118 0.003 . 1 . . . . . 167 LEU H . 52494 1 475 . 1 . 1 175 175 LEU CA C 13 52.678 0.000 . 1 . . . . . 167 LEU CA . 52494 1 476 . 1 . 1 175 175 LEU N N 15 122.304 0.027 . 1 . . . . . 167 LEU N . 52494 1 477 . 1 . 1 176 176 ARG H H 1 9.125 0.002 . 1 . . . . . 168 ARG H . 52494 1 478 . 1 . 1 176 176 ARG CA C 13 52.662 0.032 . 1 . . . . . 168 ARG CA . 52494 1 479 . 1 . 1 176 176 ARG N N 15 125.969 0.010 . 1 . . . . . 168 ARG N . 52494 1 480 . 1 . 1 177 177 THR H H 1 8.916 0.002 . 1 . . . . . 169 THR H . 52494 1 481 . 1 . 1 177 177 THR CA C 13 57.302 0.009 . 1 . . . . . 169 THR CA . 52494 1 482 . 1 . 1 177 177 THR N N 15 113.766 0.032 . 1 . . . . . 169 THR N . 52494 1 483 . 1 . 1 178 178 VAL H H 1 8.162 0.003 . 1 . . . . . 170 VAL H . 52494 1 484 . 1 . 1 178 178 VAL CA C 13 59.538 0.011 . 1 . . . . . 170 VAL CA . 52494 1 485 . 1 . 1 178 178 VAL N N 15 118.818 0.004 . 1 . . . . . 170 VAL N . 52494 1 486 . 1 . 1 179 179 ALA H H 1 8.760 0.003 . 1 . . . . . 171 ALA H . 52494 1 487 . 1 . 1 179 179 ALA CA C 13 50.282 0.000 . 1 . . . . . 171 ALA CA . 52494 1 488 . 1 . 1 179 179 ALA N N 15 125.951 0.026 . 1 . . . . . 171 ALA N . 52494 1 489 . 1 . 1 184 184 ARG C C 13 175.978 0.000 . 1 . . . . . 176 ARG C . 52494 1 490 . 1 . 1 184 184 ARG CA C 13 53.510 0.003 . 1 . . . . . 176 ARG CA . 52494 1 491 . 1 . 1 185 185 LEU H H 1 9.264 0.004 . 1 . . . . . 177 LEU H . 52494 1 492 . 1 . 1 185 185 LEU CA C 13 54.169 0.000 . 1 . . . . . 177 LEU CA . 52494 1 493 . 1 . 1 185 185 LEU N N 15 126.333 0.010 . 1 . . . . . 177 LEU N . 52494 1 494 . 1 . 1 186 186 ALA H H 1 9.412 0.006 . 1 . . . . . 178 ALA H . 52494 1 495 . 1 . 1 186 186 ALA CA C 13 50.829 0.036 . 1 . . . . . 178 ALA CA . 52494 1 496 . 1 . 1 186 186 ALA N N 15 131.991 0.006 . 1 . . . . . 178 ALA N . 52494 1 497 . 1 . 1 187 187 VAL H H 1 8.334 0.002 . 1 . . . . . 179 VAL H . 52494 1 498 . 1 . 1 187 187 VAL CA C 13 58.797 0.008 . 1 . . . . . 179 VAL CA . 52494 1 499 . 1 . 1 187 187 VAL N N 15 120.706 0.022 . 1 . . . . . 179 VAL N . 52494 1 500 . 1 . 1 188 188 CYS H H 1 8.798 0.003 . 1 . . . . . 180 CYS H . 52494 1 501 . 1 . 1 188 188 CYS C C 13 171.439 0.000 . 1 . . . . . 180 CYS C . 52494 1 502 . 1 . 1 188 188 CYS CA C 13 56.918 0.018 . 1 . . . . . 180 CYS CA . 52494 1 503 . 1 . 1 188 188 CYS N N 15 127.124 0.043 . 1 . . . . . 180 CYS N . 52494 1 504 . 1 . 1 189 189 SER H H 1 8.294 0.004 . 1 . . . . . 181 SER H . 52494 1 505 . 1 . 1 189 189 SER C C 13 174.217 0.000 . 1 . . . . . 181 SER C . 52494 1 506 . 1 . 1 189 189 SER CA C 13 56.585 0.012 . 1 . . . . . 181 SER CA . 52494 1 507 . 1 . 1 189 189 SER N N 15 121.630 0.016 . 1 . . . . . 181 SER N . 52494 1 508 . 1 . 1 190 190 MET H H 1 8.949 0.003 . 1 . . . . . 182 MET H . 52494 1 509 . 1 . 1 190 190 MET CA C 13 51.596 0.000 . 1 . . . . . 182 MET CA . 52494 1 510 . 1 . 1 190 190 MET N N 15 123.300 0.020 . 1 . . . . . 182 MET N . 52494 1 511 . 1 . 1 191 191 PRO C C 13 178.415 0.000 . 1 . . . . . 183 PRO C . 52494 1 512 . 1 . 1 191 191 PRO CA C 13 61.840 0.000 . 1 . . . . . 183 PRO CA . 52494 1 513 . 1 . 1 192 192 ILE H H 1 9.000 0.003 . 1 . . . . . 184 ILE H . 52494 1 514 . 1 . 1 192 192 ILE C C 13 178.222 0.000 . 1 . . . . . 184 ILE C . 52494 1 515 . 1 . 1 192 192 ILE CA C 13 59.886 0.008 . 1 . . . . . 184 ILE CA . 52494 1 516 . 1 . 1 192 192 ILE N N 15 115.677 0.018 . 1 . . . . . 184 ILE N . 52494 1 517 . 1 . 1 193 193 GLY H H 1 8.336 0.005 . 1 . . . . . 185 GLY H . 52494 1 518 . 1 . 1 193 193 GLY C C 13 173.478 0.000 . 1 . . . . . 185 GLY C . 52494 1 519 . 1 . 1 193 193 GLY CA C 13 46.553 0.006 . 1 . . . . . 185 GLY CA . 52494 1 520 . 1 . 1 193 193 GLY N N 15 110.253 0.015 . 1 . . . . . 185 GLY N . 52494 1 521 . 1 . 1 194 194 GLN H H 1 7.110 0.005 . 1 . . . . . 186 GLN H . 52494 1 522 . 1 . 1 194 194 GLN C C 13 172.933 0.000 . 1 . . . . . 186 GLN C . 52494 1 523 . 1 . 1 194 194 GLN CA C 13 53.830 0.005 . 1 . . . . . 186 GLN CA . 52494 1 524 . 1 . 1 194 194 GLN N N 15 116.368 0.022 . 1 . . . . . 186 GLN N . 52494 1 525 . 1 . 1 195 195 SER H H 1 8.275 0.003 . 1 . . . . . 187 SER H . 52494 1 526 . 1 . 1 195 195 SER C C 13 174.743 0.000 . 1 . . . . . 187 SER C . 52494 1 527 . 1 . 1 195 195 SER CA C 13 57.993 0.010 . 1 . . . . . 187 SER CA . 52494 1 528 . 1 . 1 195 195 SER N N 15 115.461 0.010 . 1 . . . . . 187 SER N . 52494 1 529 . 1 . 1 196 196 LEU H H 1 8.677 0.003 . 1 . . . . . 188 LEU H . 52494 1 530 . 1 . 1 196 196 LEU CA C 13 52.129 0.000 . 1 . . . . . 188 LEU CA . 52494 1 531 . 1 . 1 196 196 LEU N N 15 128.696 0.011 . 1 . . . . . 188 LEU N . 52494 1 532 . 1 . 1 197 197 PRO C C 13 175.991 0.000 . 1 . . . . . 189 PRO C . 52494 1 533 . 1 . 1 197 197 PRO CA C 13 61.421 0.000 . 1 . . . . . 189 PRO CA . 52494 1 534 . 1 . 1 198 198 SER H H 1 8.431 0.004 . 1 . . . . . 190 SER H . 52494 1 535 . 1 . 1 198 198 SER CA C 13 58.107 0.000 . 1 . . . . . 190 SER CA . 52494 1 536 . 1 . 1 198 198 SER N N 15 117.630 0.019 . 1 . . . . . 190 SER N . 52494 1 537 . 1 . 1 199 199 HIS H H 1 8.460 0.005 . 1 . . . . . 191 HIS H . 52494 1 538 . 1 . 1 199 199 HIS C C 13 173.746 0.000 . 1 . . . . . 191 HIS C . 52494 1 539 . 1 . 1 199 199 HIS CA C 13 55.947 0.001 . 1 . . . . . 191 HIS CA . 52494 1 540 . 1 . 1 199 199 HIS N N 15 128.686 0.013 . 1 . . . . . 191 HIS N . 52494 1 541 . 1 . 1 200 200 SER H H 1 7.862 0.006 . 1 . . . . . 192 SER H . 52494 1 542 . 1 . 1 200 200 SER C C 13 173.318 0.000 . 1 . . . . . 192 SER C . 52494 1 543 . 1 . 1 200 200 SER CA C 13 57.321 0.005 . 1 . . . . . 192 SER CA . 52494 1 544 . 1 . 1 200 200 SER N N 15 118.135 0.021 . 1 . . . . . 192 SER N . 52494 1 545 . 1 . 1 201 201 VAL H H 1 8.917 0.004 . 1 . . . . . 193 VAL H . 52494 1 546 . 1 . 1 201 201 VAL C C 13 172.937 0.000 . 1 . . . . . 193 VAL C . 52494 1 547 . 1 . 1 201 201 VAL CA C 13 58.589 0.008 . 1 . . . . . 193 VAL CA . 52494 1 548 . 1 . 1 201 201 VAL N N 15 116.864 0.021 . 1 . . . . . 193 VAL N . 52494 1 549 . 1 . 1 202 202 ILE H H 1 8.854 0.004 . 1 . . . . . 194 ILE H . 52494 1 550 . 1 . 1 202 202 ILE CA C 13 60.028 0.022 . 1 . . . . . 194 ILE CA . 52494 1 551 . 1 . 1 202 202 ILE N N 15 121.470 0.017 . 1 . . . . . 194 ILE N . 52494 1 552 . 1 . 1 203 203 VAL H H 1 9.112 0.001 . 1 . . . . . 195 VAL H . 52494 1 553 . 1 . 1 203 203 VAL CA C 13 58.440 0.000 . 1 . . . . . 195 VAL CA . 52494 1 554 . 1 . 1 203 203 VAL N N 15 130.133 0.000 . 1 . . . . . 195 VAL N . 52494 1 555 . 1 . 1 204 204 PRO C C 13 178.004 0.000 . 1 . . . . . 196 PRO C . 52494 1 556 . 1 . 1 204 204 PRO CA C 13 62.810 0.000 . 1 . . . . . 196 PRO CA . 52494 1 557 . 1 . 1 205 205 ARG H H 1 8.216 0.004 . 1 . . . . . 197 ARG H . 52494 1 558 . 1 . 1 205 205 ARG CA C 13 59.880 0.009 . 1 . . . . . 197 ARG CA . 52494 1 559 . 1 . 1 205 205 ARG N N 15 123.164 0.022 . 1 . . . . . 197 ARG N . 52494 1 560 . 1 . 1 206 206 LYS H H 1 8.943 0.005 . 1 . . . . . 198 LYS H . 52494 1 561 . 1 . 1 206 206 LYS C C 13 178.800 0.000 . 1 . . . . . 198 LYS C . 52494 1 562 . 1 . 1 206 206 LYS CA C 13 59.531 0.003 . 1 . . . . . 198 LYS CA . 52494 1 563 . 1 . 1 206 206 LYS N N 15 117.499 0.030 . 1 . . . . . 198 LYS N . 52494 1 564 . 1 . 1 207 207 GLY H H 1 7.386 0.004 . 1 . . . . . 199 GLY H . 52494 1 565 . 1 . 1 207 207 GLY CA C 13 46.533 0.000 . 1 . . . . . 199 GLY CA . 52494 1 566 . 1 . 1 207 207 GLY N N 15 105.999 0.021 . 1 . . . . . 199 GLY N . 52494 1 567 . 1 . 1 208 208 VAL H H 1 7.885 0.003 . 1 . . . . . 200 VAL H . 52494 1 568 . 1 . 1 208 208 VAL CA C 13 66.517 0.003 . 1 . . . . . 200 VAL CA . 52494 1 569 . 1 . 1 208 208 VAL N N 15 121.771 0.000 . 1 . . . . . 200 VAL N . 52494 1 570 . 1 . 1 209 209 ILE H H 1 7.614 0.001 . 1 . . . . . 201 ILE H . 52494 1 571 . 1 . 1 209 209 ILE CA C 13 63.711 0.000 . 1 . . . . . 201 ILE CA . 52494 1 572 . 1 . 1 209 209 ILE N N 15 118.594 0.009 . 1 . . . . . 201 ILE N . 52494 1 573 . 1 . 1 211 211 LEU CA C 13 57.431 0.000 . 1 . . . . . 203 LEU CA . 52494 1 574 . 1 . 1 212 212 MET H H 1 7.799 0.003 . 1 . . . . . 204 MET H . 52494 1 575 . 1 . 1 212 212 MET CA C 13 58.370 0.000 . 1 . . . . . 204 MET CA . 52494 1 576 . 1 . 1 212 212 MET N N 15 115.852 0.024 . 1 . . . . . 204 MET N . 52494 1 577 . 1 . 1 213 213 ARG H H 1 7.554 0.004 . 1 . . . . . 205 ARG H . 52494 1 578 . 1 . 1 213 213 ARG CA C 13 57.991 0.000 . 1 . . . . . 205 ARG CA . 52494 1 579 . 1 . 1 213 213 ARG N N 15 117.433 0.039 . 1 . . . . . 205 ARG N . 52494 1 580 . 1 . 1 214 214 MET H H 1 7.495 0.002 . 1 . . . . . 206 MET H . 52494 1 581 . 1 . 1 214 214 MET C C 13 175.943 0.000 . 1 . . . . . 206 MET C . 52494 1 582 . 1 . 1 214 214 MET CA C 13 56.116 0.003 . 1 . . . . . 206 MET CA . 52494 1 583 . 1 . 1 214 214 MET N N 15 116.577 0.049 . 1 . . . . . 206 MET N . 52494 1 584 . 1 . 1 215 215 LEU H H 1 6.942 0.005 . 1 . . . . . 207 LEU H . 52494 1 585 . 1 . 1 215 215 LEU C C 13 176.378 0.000 . 1 . . . . . 207 LEU C . 52494 1 586 . 1 . 1 215 215 LEU CA C 13 53.801 0.003 . 1 . . . . . 207 LEU CA . 52494 1 587 . 1 . 1 215 215 LEU N N 15 118.605 0.053 . 1 . . . . . 207 LEU N . 52494 1 588 . 1 . 1 216 216 ASP H H 1 8.300 0.005 . 1 . . . . . 208 ASP H . 52494 1 589 . 1 . 1 216 216 ASP CA C 13 53.562 0.000 . 1 . . . . . 208 ASP CA . 52494 1 590 . 1 . 1 216 216 ASP N N 15 123.268 0.007 . 1 . . . . . 208 ASP N . 52494 1 591 . 1 . 1 221 221 PRO C C 13 176.339 0.000 . 1 . . . . . 213 PRO C . 52494 1 592 . 1 . 1 221 221 PRO CA C 13 62.893 0.000 . 1 . . . . . 213 PRO CA . 52494 1 593 . 1 . 1 222 222 LEU H H 1 8.766 0.003 . 1 . . . . . 214 LEU H . 52494 1 594 . 1 . 1 222 222 LEU C C 13 174.186 0.000 . 1 . . . . . 214 LEU C . 52494 1 595 . 1 . 1 222 222 LEU CA C 13 54.013 0.015 . 1 . . . . . 214 LEU CA . 52494 1 596 . 1 . 1 222 222 LEU N N 15 121.980 0.031 . 1 . . . . . 214 LEU N . 52494 1 597 . 1 . 1 223 223 ARG H H 1 8.227 0.005 . 1 . . . . . 215 ARG H . 52494 1 598 . 1 . 1 223 223 ARG CA C 13 54.486 0.032 . 1 . . . . . 215 ARG CA . 52494 1 599 . 1 . 1 223 223 ARG N N 15 125.179 0.021 . 1 . . . . . 215 ARG N . 52494 1 600 . 1 . 1 224 224 VAL H H 1 8.968 0.005 . 1 . . . . . 216 VAL H . 52494 1 601 . 1 . 1 224 224 VAL CA C 13 60.317 0.010 . 1 . . . . . 216 VAL CA . 52494 1 602 . 1 . 1 224 224 VAL N N 15 128.264 0.020 . 1 . . . . . 216 VAL N . 52494 1 603 . 1 . 1 225 225 GLN H H 1 9.239 0.002 . 1 . . . . . 217 GLN H . 52494 1 604 . 1 . 1 225 225 GLN C C 13 174.855 0.000 . 1 . . . . . 217 GLN C . 52494 1 605 . 1 . 1 225 225 GLN CA C 13 53.673 0.020 . 1 . . . . . 217 GLN CA . 52494 1 606 . 1 . 1 225 225 GLN N N 15 123.308 0.011 . 1 . . . . . 217 GLN N . 52494 1 607 . 1 . 1 226 226 ILE H H 1 9.169 0.004 . 1 . . . . . 218 ILE H . 52494 1 608 . 1 . 1 226 226 ILE C C 13 175.995 0.000 . 1 . . . . . 218 ILE C . 52494 1 609 . 1 . 1 226 226 ILE CA C 13 60.862 0.005 . 1 . . . . . 218 ILE CA . 52494 1 610 . 1 . 1 226 226 ILE N N 15 122.184 0.031 . 1 . . . . . 218 ILE N . 52494 1 611 . 1 . 1 227 227 GLY H H 1 8.658 0.005 . 1 . . . . . 219 GLY H . 52494 1 612 . 1 . 1 227 227 GLY C C 13 172.434 0.000 . 1 . . . . . 219 GLY C . 52494 1 613 . 1 . 1 227 227 GLY CA C 13 43.814 0.000 . 1 . . . . . 219 GLY CA . 52494 1 614 . 1 . 1 227 227 GLY N N 15 118.184 0.013 . 1 . . . . . 219 GLY N . 52494 1 615 . 1 . 1 228 228 SER H H 1 8.952 0.003 . 1 . . . . . 220 SER H . 52494 1 616 . 1 . 1 228 228 SER CA C 13 60.683 0.000 . 1 . . . . . 220 SER CA . 52494 1 617 . 1 . 1 228 228 SER N N 15 115.732 0.011 . 1 . . . . . 220 SER N . 52494 1 618 . 1 . 1 229 229 ASN C C 13 173.757 0.000 . 1 . . . . . 221 ASN C . 52494 1 619 . 1 . 1 230 230 ASN H H 1 6.618 0.006 . 1 . . . . . 222 ASN H . 52494 1 620 . 1 . 1 230 230 ASN CA C 13 52.242 0.026 . 1 . . . . . 222 ASN CA . 52494 1 621 . 1 . 1 230 230 ASN N N 15 115.335 0.046 . 1 . . . . . 222 ASN N . 52494 1 622 . 1 . 1 231 231 ILE H H 1 8.633 0.000 . 1 . . . . . 223 ILE H . 52494 1 623 . 1 . 1 231 231 ILE CA C 13 58.609 0.012 . 1 . . . . . 223 ILE CA . 52494 1 624 . 1 . 1 231 231 ILE N N 15 117.723 0.000 . 1 . . . . . 223 ILE N . 52494 1 625 . 1 . 1 232 232 ARG H H 1 9.401 0.003 . 1 . . . . . 224 ARG H . 52494 1 626 . 1 . 1 232 232 ARG CA C 13 53.432 0.009 . 1 . . . . . 224 ARG CA . 52494 1 627 . 1 . 1 232 232 ARG N N 15 127.790 0.014 . 1 . . . . . 224 ARG N . 52494 1 628 . 1 . 1 233 233 ALA H H 1 9.830 0.002 . 1 . . . . . 225 ALA H . 52494 1 629 . 1 . 1 233 233 ALA C C 13 174.895 0.000 . 1 . . . . . 225 ALA C . 52494 1 630 . 1 . 1 233 233 ALA CA C 13 49.389 0.054 . 1 . . . . . 225 ALA CA . 52494 1 631 . 1 . 1 233 233 ALA N N 15 128.124 0.020 . 1 . . . . . 225 ALA N . 52494 1 632 . 1 . 1 234 234 HIS H H 1 9.247 0.003 . 1 . . . . . 226 HIS H . 52494 1 633 . 1 . 1 234 234 HIS C C 13 175.759 0.000 . 1 . . . . . 226 HIS C . 52494 1 634 . 1 . 1 234 234 HIS CA C 13 54.441 0.008 . 1 . . . . . 226 HIS CA . 52494 1 635 . 1 . 1 234 234 HIS N N 15 123.112 0.014 . 1 . . . . . 226 HIS N . 52494 1 636 . 1 . 1 235 235 VAL H H 1 8.577 0.004 . 1 . . . . . 227 VAL H . 52494 1 637 . 1 . 1 235 235 VAL C C 13 175.396 0.000 . 1 . . . . . 227 VAL C . 52494 1 638 . 1 . 1 235 235 VAL CA C 13 60.366 0.019 . 1 . . . . . 227 VAL CA . 52494 1 639 . 1 . 1 235 235 VAL N N 15 125.201 0.014 . 1 . . . . . 227 VAL N . 52494 1 640 . 1 . 1 236 236 GLY H H 1 9.027 0.005 . 1 . . . . . 228 GLY H . 52494 1 641 . 1 . 1 236 236 GLY C C 13 175.302 0.000 . 1 . . . . . 228 GLY C . 52494 1 642 . 1 . 1 236 236 GLY CA C 13 46.974 0.010 . 1 . . . . . 228 GLY CA . 52494 1 643 . 1 . 1 236 236 GLY N N 15 116.853 0.009 . 1 . . . . . 228 GLY N . 52494 1 644 . 1 . 1 237 237 ASP H H 1 8.642 0.006 . 1 . . . . . 229 ASP H . 52494 1 645 . 1 . 1 237 237 ASP C C 13 174.345 0.000 . 1 . . . . . 229 ASP C . 52494 1 646 . 1 . 1 237 237 ASP CA C 13 54.541 0.001 . 1 . . . . . 229 ASP CA . 52494 1 647 . 1 . 1 237 237 ASP N N 15 128.729 0.011 . 1 . . . . . 229 ASP N . 52494 1 648 . 1 . 1 238 238 PHE H H 1 8.282 0.004 . 1 . . . . . 230 PHE H . 52494 1 649 . 1 . 1 238 238 PHE C C 13 175.483 0.000 . 1 . . . . . 230 PHE C . 52494 1 650 . 1 . 1 238 238 PHE CA C 13 55.984 0.009 . 1 . . . . . 230 PHE CA . 52494 1 651 . 1 . 1 238 238 PHE N N 15 119.367 0.011 . 1 . . . . . 230 PHE N . 52494 1 652 . 1 . 1 239 239 ILE H H 1 9.158 0.006 . 1 . . . . . 231 ILE H . 52494 1 653 . 1 . 1 239 239 ILE CA C 13 61.049 0.017 . 1 . . . . . 231 ILE CA . 52494 1 654 . 1 . 1 239 239 ILE N N 15 123.381 0.011 . 1 . . . . . 231 ILE N . 52494 1 655 . 1 . 1 240 240 PHE H H 1 9.127 0.003 . 1 . . . . . 232 PHE H . 52494 1 656 . 1 . 1 240 240 PHE C C 13 173.875 0.000 . 1 . . . . . 232 PHE C . 52494 1 657 . 1 . 1 240 240 PHE CA C 13 55.325 0.026 . 1 . . . . . 232 PHE CA . 52494 1 658 . 1 . 1 240 240 PHE N N 15 130.404 0.013 . 1 . . . . . 232 PHE N . 52494 1 659 . 1 . 1 241 241 THR H H 1 8.622 0.004 . 1 . . . . . 233 THR H . 52494 1 660 . 1 . 1 241 241 THR CA C 13 60.628 0.000 . 1 . . . . . 233 THR CA . 52494 1 661 . 1 . 1 241 241 THR N N 15 123.692 0.014 . 1 . . . . . 233 THR N . 52494 1 662 . 1 . 1 242 242 SER H H 1 8.657 0.005 . 1 . . . . . 234 SER H . 52494 1 663 . 1 . 1 242 242 SER C C 13 174.736 0.000 . 1 . . . . . 234 SER C . 52494 1 664 . 1 . 1 242 242 SER CA C 13 56.044 0.002 . 1 . . . . . 234 SER CA . 52494 1 665 . 1 . 1 242 242 SER N N 15 116.165 0.020 . 1 . . . . . 234 SER N . 52494 1 666 . 1 . 1 243 243 LYS H H 1 8.007 0.003 . 1 . . . . . 235 LYS H . 52494 1 667 . 1 . 1 243 243 LYS C C 13 176.586 0.000 . 1 . . . . . 235 LYS C . 52494 1 668 . 1 . 1 243 243 LYS CA C 13 57.213 0.002 . 1 . . . . . 235 LYS CA . 52494 1 669 . 1 . 1 243 243 LYS N N 15 126.940 0.011 . 1 . . . . . 235 LYS N . 52494 1 670 . 1 . 1 244 244 LEU H H 1 7.069 0.003 . 1 . . . . . 236 LEU H . 52494 1 671 . 1 . 1 244 244 LEU C C 13 177.502 0.000 . 1 . . . . . 236 LEU C . 52494 1 672 . 1 . 1 244 244 LEU CA C 13 52.883 0.010 . 1 . . . . . 236 LEU CA . 52494 1 673 . 1 . 1 244 244 LEU N N 15 119.584 0.014 . 1 . . . . . 236 LEU N . 52494 1 674 . 1 . 1 245 245 VAL H H 1 8.491 0.005 . 1 . . . . . 237 VAL H . 52494 1 675 . 1 . 1 245 245 VAL C C 13 175.437 0.000 . 1 . . . . . 237 VAL C . 52494 1 676 . 1 . 1 245 245 VAL CA C 13 61.979 0.006 . 1 . . . . . 237 VAL CA . 52494 1 677 . 1 . 1 245 245 VAL N N 15 121.254 0.030 . 1 . . . . . 237 VAL N . 52494 1 678 . 1 . 1 246 246 ASP H H 1 8.637 0.005 . 1 . . . . . 238 ASP H . 52494 1 679 . 1 . 1 246 246 ASP C C 13 175.297 0.000 . 1 . . . . . 238 ASP C . 52494 1 680 . 1 . 1 246 246 ASP CA C 13 53.081 0.005 . 1 . . . . . 238 ASP CA . 52494 1 681 . 1 . 1 246 246 ASP N N 15 128.079 0.007 . 1 . . . . . 238 ASP N . 52494 1 682 . 1 . 1 247 247 GLY H H 1 7.748 0.004 . 1 . . . . . 239 GLY H . 52494 1 683 . 1 . 1 247 247 GLY C C 13 170.841 0.000 . 1 . . . . . 239 GLY C . 52494 1 684 . 1 . 1 247 247 GLY CA C 13 44.117 0.011 . 1 . . . . . 239 GLY CA . 52494 1 685 . 1 . 1 247 247 GLY N N 15 109.795 0.044 . 1 . . . . . 239 GLY N . 52494 1 686 . 1 . 1 248 248 ARG H H 1 7.553 0.005 . 1 . . . . . 240 ARG H . 52494 1 687 . 1 . 1 248 248 ARG C C 13 174.068 0.000 . 1 . . . . . 240 ARG C . 52494 1 688 . 1 . 1 248 248 ARG CA C 13 53.679 0.005 . 1 . . . . . 240 ARG CA . 52494 1 689 . 1 . 1 248 248 ARG N N 15 119.979 0.005 . 1 . . . . . 240 ARG N . 52494 1 690 . 1 . 1 249 249 PHE H H 1 8.763 0.004 . 1 . . . . . 241 PHE H . 52494 1 691 . 1 . 1 249 249 PHE CA C 13 56.660 0.000 . 1 . . . . . 241 PHE CA . 52494 1 692 . 1 . 1 249 249 PHE N N 15 128.933 0.020 . 1 . . . . . 241 PHE N . 52494 1 693 . 1 . 1 251 251 ASP C C 13 178.005 0.000 . 1 . . . . . 243 ASP C . 52494 1 694 . 1 . 1 251 251 ASP CA C 13 52.773 0.000 . 1 . . . . . 243 ASP CA . 52494 1 695 . 1 . 1 252 252 TYR H H 1 8.702 0.003 . 1 . . . . . 244 TYR H . 52494 1 696 . 1 . 1 252 252 TYR C C 13 176.150 0.000 . 1 . . . . . 244 TYR C . 52494 1 697 . 1 . 1 252 252 TYR CA C 13 58.958 0.021 . 1 . . . . . 244 TYR CA . 52494 1 698 . 1 . 1 252 252 TYR N N 15 127.986 0.003 . 1 . . . . . 244 TYR N . 52494 1 699 . 1 . 1 253 253 ARG H H 1 7.454 0.004 . 1 . . . . . 245 ARG H . 52494 1 700 . 1 . 1 253 253 ARG CA C 13 58.100 0.019 . 1 . . . . . 245 ARG CA . 52494 1 701 . 1 . 1 253 253 ARG N N 15 121.338 0.003 . 1 . . . . . 245 ARG N . 52494 1 702 . 1 . 1 254 254 ARG H H 1 7.218 0.005 . 1 . . . . . 246 ARG H . 52494 1 703 . 1 . 1 254 254 ARG CA C 13 56.484 0.019 . 1 . . . . . 246 ARG CA . 52494 1 704 . 1 . 1 254 254 ARG N N 15 115.222 0.000 . 1 . . . . . 246 ARG N . 52494 1 705 . 1 . 1 255 255 VAL H H 1 7.284 0.003 . 1 . . . . . 247 VAL H . 52494 1 706 . 1 . 1 255 255 VAL C C 13 176.470 0.000 . 1 . . . . . 247 VAL C . 52494 1 707 . 1 . 1 255 255 VAL CA C 13 61.890 0.021 . 1 . . . . . 247 VAL CA . 52494 1 708 . 1 . 1 255 255 VAL N N 15 116.853 0.016 . 1 . . . . . 247 VAL N . 52494 1 709 . 1 . 1 256 256 LEU H H 1 6.803 0.005 . 1 . . . . . 248 LEU H . 52494 1 710 . 1 . 1 256 256 LEU CA C 13 53.561 0.000 . 1 . . . . . 248 LEU CA . 52494 1 711 . 1 . 1 256 256 LEU N N 15 120.871 0.027 . 1 . . . . . 248 LEU N . 52494 1 712 . 1 . 1 260 260 PRO C C 13 177.304 0.000 . 1 . . . . . 252 PRO C . 52494 1 713 . 1 . 1 260 260 PRO CA C 13 63.466 0.000 . 1 . . . . . 252 PRO CA . 52494 1 714 . 1 . 1 261 261 ASP H H 1 8.352 0.005 . 1 . . . . . 253 ASP H . 52494 1 715 . 1 . 1 261 261 ASP C C 13 175.805 0.000 . 1 . . . . . 253 ASP C . 52494 1 716 . 1 . 1 261 261 ASP CA C 13 53.463 0.019 . 1 . . . . . 253 ASP CA . 52494 1 717 . 1 . 1 261 261 ASP N N 15 120.574 0.029 . 1 . . . . . 253 ASP N . 52494 1 718 . 1 . 1 262 262 LYS H H 1 8.111 0.002 . 1 . . . . . 254 LYS H . 52494 1 719 . 1 . 1 262 262 LYS C C 13 175.020 0.000 . 1 . . . . . 254 LYS C . 52494 1 720 . 1 . 1 262 262 LYS CA C 13 55.323 0.007 . 1 . . . . . 254 LYS CA . 52494 1 721 . 1 . 1 262 262 LYS N N 15 122.301 0.012 . 1 . . . . . 254 LYS N . 52494 1 722 . 1 . 1 263 263 HIS H H 1 8.482 0.004 . 1 . . . . . 255 HIS H . 52494 1 723 . 1 . 1 263 263 HIS C C 13 173.496 0.000 . 1 . . . . . 255 HIS C . 52494 1 724 . 1 . 1 263 263 HIS CA C 13 54.437 0.009 . 1 . . . . . 255 HIS CA . 52494 1 725 . 1 . 1 263 263 HIS N N 15 122.279 0.008 . 1 . . . . . 255 HIS N . 52494 1 726 . 1 . 1 264 264 LEU H H 1 9.177 0.005 . 1 . . . . . 256 LEU H . 52494 1 727 . 1 . 1 264 264 LEU C C 13 175.131 0.000 . 1 . . . . . 256 LEU C . 52494 1 728 . 1 . 1 264 264 LEU CA C 13 53.367 0.006 . 1 . . . . . 256 LEU CA . 52494 1 729 . 1 . 1 264 264 LEU N N 15 126.726 0.017 . 1 . . . . . 256 LEU N . 52494 1 730 . 1 . 1 265 265 GLU H H 1 8.918 0.004 . 1 . . . . . 257 GLU H . 52494 1 731 . 1 . 1 265 265 GLU C C 13 174.935 0.000 . 1 . . . . . 257 GLU C . 52494 1 732 . 1 . 1 265 265 GLU CA C 13 54.468 0.010 . 1 . . . . . 257 GLU CA . 52494 1 733 . 1 . 1 265 265 GLU N N 15 125.182 0.017 . 1 . . . . . 257 GLU N . 52494 1 734 . 1 . 1 266 266 ALA H H 1 8.611 0.004 . 1 . . . . . 258 ALA H . 52494 1 735 . 1 . 1 266 266 ALA C C 13 176.131 0.000 . 1 . . . . . 258 ALA C . 52494 1 736 . 1 . 1 266 266 ALA CA C 13 50.113 0.023 . 1 . . . . . 258 ALA CA . 52494 1 737 . 1 . 1 266 266 ALA N N 15 123.940 0.026 . 1 . . . . . 258 ALA N . 52494 1 738 . 1 . 1 267 267 GLY H H 1 8.533 0.005 . 1 . . . . . 259 GLY H . 52494 1 739 . 1 . 1 267 267 GLY C C 13 174.105 0.000 . 1 . . . . . 259 GLY C . 52494 1 740 . 1 . 1 267 267 GLY CA C 13 45.806 0.000 . 1 . . . . . 259 GLY CA . 52494 1 741 . 1 . 1 267 267 GLY N N 15 108.183 0.013 . 1 . . . . . 259 GLY N . 52494 1 742 . 1 . 1 268 268 CYS H H 1 8.543 0.004 . 1 . . . . . 260 CYS H . 52494 1 743 . 1 . 1 268 268 CYS C C 13 175.955 0.000 . 1 . . . . . 260 CYS C . 52494 1 744 . 1 . 1 268 268 CYS CA C 13 62.329 0.020 . 1 . . . . . 260 CYS CA . 52494 1 745 . 1 . 1 268 268 CYS N N 15 126.789 0.025 . 1 . . . . . 260 CYS N . 52494 1 746 . 1 . 1 269 269 ASP H H 1 8.785 0.006 . 1 . . . . . 261 ASP H . 52494 1 747 . 1 . 1 269 269 ASP C C 13 178.445 0.000 . 1 . . . . . 261 ASP C . 52494 1 748 . 1 . 1 269 269 ASP CA C 13 57.582 0.026 . 1 . . . . . 261 ASP CA . 52494 1 749 . 1 . 1 269 269 ASP N N 15 118.576 0.020 . 1 . . . . . 261 ASP N . 52494 1 750 . 1 . 1 270 270 LEU H H 1 7.864 0.005 . 1 . . . . . 262 LEU H . 52494 1 751 . 1 . 1 270 270 LEU CA C 13 57.493 0.063 . 1 . . . . . 262 LEU CA . 52494 1 752 . 1 . 1 270 270 LEU N N 15 120.024 0.011 . 1 . . . . . 262 LEU N . 52494 1 753 . 1 . 1 271 271 LEU H H 1 7.879 0.003 . 1 . . . . . 263 LEU H . 52494 1 754 . 1 . 1 271 271 LEU CA C 13 57.415 0.011 . 1 . . . . . 263 LEU CA . 52494 1 755 . 1 . 1 271 271 LEU N N 15 118.957 0.001 . 1 . . . . . 263 LEU N . 52494 1 756 . 1 . 1 272 272 LYS H H 1 8.707 0.003 . 1 . . . . . 264 LYS H . 52494 1 757 . 1 . 1 272 272 LYS C C 13 178.099 0.000 . 1 . . . . . 264 LYS C . 52494 1 758 . 1 . 1 272 272 LYS CA C 13 60.068 0.024 . 1 . . . . . 264 LYS CA . 52494 1 759 . 1 . 1 272 272 LYS N N 15 119.863 0.019 . 1 . . . . . 264 LYS N . 52494 1 760 . 1 . 1 273 273 GLN H H 1 8.220 0.003 . 1 . . . . . 265 GLN H . 52494 1 761 . 1 . 1 273 273 GLN C C 13 178.417 0.000 . 1 . . . . . 265 GLN C . 52494 1 762 . 1 . 1 273 273 GLN CA C 13 57.995 0.013 . 1 . . . . . 265 GLN CA . 52494 1 763 . 1 . 1 273 273 GLN N N 15 116.488 0.017 . 1 . . . . . 265 GLN N . 52494 1 764 . 1 . 1 274 274 ALA H H 1 7.472 0.003 . 1 . . . . . 266 ALA H . 52494 1 765 . 1 . 1 274 274 ALA CA C 13 54.768 0.022 . 1 . . . . . 266 ALA CA . 52494 1 766 . 1 . 1 274 274 ALA N N 15 121.335 0.000 . 1 . . . . . 266 ALA N . 52494 1 767 . 1 . 1 275 275 PHE H H 1 8.477 0.003 . 1 . . . . . 267 PHE H . 52494 1 768 . 1 . 1 275 275 PHE CA C 13 62.280 0.019 . 1 . . . . . 267 PHE CA . 52494 1 769 . 1 . 1 275 275 PHE N N 15 116.495 0.014 . 1 . . . . . 267 PHE N . 52494 1 770 . 1 . 1 276 276 ALA H H 1 8.310 0.001 . 1 . . . . . 268 ALA H . 52494 1 771 . 1 . 1 276 276 ALA CA C 13 54.710 0.008 . 1 . . . . . 268 ALA CA . 52494 1 772 . 1 . 1 276 276 ALA N N 15 119.550 0.000 . 1 . . . . . 268 ALA N . 52494 1 773 . 1 . 1 277 277 ARG H H 1 7.605 0.002 . 1 . . . . . 269 ARG H . 52494 1 774 . 1 . 1 277 277 ARG C C 13 177.138 0.000 . 1 . . . . . 269 ARG C . 52494 1 775 . 1 . 1 277 277 ARG CA C 13 59.167 0.018 . 1 . . . . . 269 ARG CA . 52494 1 776 . 1 . 1 277 277 ARG N N 15 117.248 0.004 . 1 . . . . . 269 ARG N . 52494 1 777 . 1 . 1 278 278 ALA H H 1 8.033 0.002 . 1 . . . . . 270 ALA H . 52494 1 778 . 1 . 1 278 278 ALA CA C 13 54.384 0.012 . 1 . . . . . 270 ALA CA . 52494 1 779 . 1 . 1 278 278 ALA N N 15 120.341 0.008 . 1 . . . . . 270 ALA N . 52494 1 780 . 1 . 1 279 279 ALA H H 1 7.940 0.004 . 1 . . . . . 271 ALA H . 52494 1 781 . 1 . 1 279 279 ALA CA C 13 53.502 0.014 . 1 . . . . . 271 ALA CA . 52494 1 782 . 1 . 1 279 279 ALA N N 15 113.557 0.006 . 1 . . . . . 271 ALA N . 52494 1 783 . 1 . 1 280 280 ILE H H 1 7.475 0.003 . 1 . . . . . 272 ILE H . 52494 1 784 . 1 . 1 280 280 ILE CA C 13 64.170 0.057 . 1 . . . . . 272 ILE CA . 52494 1 785 . 1 . 1 280 280 ILE N N 15 119.289 0.000 . 1 . . . . . 272 ILE N . 52494 1 786 . 1 . 1 281 281 LEU H H 1 6.992 0.003 . 1 . . . . . 273 LEU H . 52494 1 787 . 1 . 1 281 281 LEU CA C 13 52.887 0.000 . 1 . . . . . 273 LEU CA . 52494 1 788 . 1 . 1 281 281 LEU N N 15 116.163 0.028 . 1 . . . . . 273 LEU N . 52494 1 789 . 1 . 1 282 282 SER H H 1 6.940 0.005 . 1 . . . . . 274 SER H . 52494 1 790 . 1 . 1 282 282 SER C C 13 175.314 0.000 . 1 . . . . . 274 SER C . 52494 1 791 . 1 . 1 282 282 SER CA C 13 57.303 0.011 . 1 . . . . . 274 SER CA . 52494 1 792 . 1 . 1 282 282 SER N N 15 109.989 0.006 . 1 . . . . . 274 SER N . 52494 1 793 . 1 . 1 283 283 ASN H H 1 9.113 0.003 . 1 . . . . . 275 ASN H . 52494 1 794 . 1 . 1 283 283 ASN CA C 13 53.819 0.000 . 1 . . . . . 275 ASN CA . 52494 1 795 . 1 . 1 283 283 ASN N N 15 122.579 0.013 . 1 . . . . . 275 ASN N . 52494 1 796 . 1 . 1 284 284 GLU C C 13 176.889 0.000 . 1 . . . . . 276 GLU C . 52494 1 797 . 1 . 1 284 284 GLU CA C 13 58.742 0.000 . 1 . . . . . 276 GLU CA . 52494 1 798 . 1 . 1 285 285 LYS H H 1 8.091 0.004 . 1 . . . . . 277 LYS H . 52494 1 799 . 1 . 1 285 285 LYS CA C 13 57.314 0.000 . 1 . . . . . 277 LYS CA . 52494 1 800 . 1 . 1 285 285 LYS N N 15 117.275 0.027 . 1 . . . . . 277 LYS N . 52494 1 801 . 1 . 1 287 287 ARG H H 1 8.504 0.002 . 1 . . . . . 279 ARG H . 52494 1 802 . 1 . 1 287 287 ARG C C 13 175.521 0.000 . 1 . . . . . 279 ARG C . 52494 1 803 . 1 . 1 287 287 ARG CA C 13 55.084 0.000 . 1 . . . . . 279 ARG CA . 52494 1 804 . 1 . 1 287 287 ARG N N 15 115.447 0.000 . 1 . . . . . 279 ARG N . 52494 1 805 . 1 . 1 288 288 GLY H H 1 7.757 0.005 . 1 . . . . . 280 GLY H . 52494 1 806 . 1 . 1 288 288 GLY C C 13 175.276 0.000 . 1 . . . . . 280 GLY C . 52494 1 807 . 1 . 1 288 288 GLY CA C 13 46.199 0.011 . 1 . . . . . 280 GLY CA . 52494 1 808 . 1 . 1 288 288 GLY N N 15 105.559 0.012 . 1 . . . . . 280 GLY N . 52494 1 809 . 1 . 1 289 289 VAL H H 1 9.021 0.003 . 1 . . . . . 281 VAL H . 52494 1 810 . 1 . 1 289 289 VAL C C 13 173.538 0.000 . 1 . . . . . 281 VAL C . 52494 1 811 . 1 . 1 289 289 VAL CA C 13 58.967 0.002 . 1 . . . . . 281 VAL CA . 52494 1 812 . 1 . 1 289 289 VAL N N 15 118.592 0.025 . 1 . . . . . 281 VAL N . 52494 1 813 . 1 . 1 290 290 ARG H H 1 9.048 0.003 . 1 . . . . . 282 ARG H . 52494 1 814 . 1 . 1 290 290 ARG C C 13 174.234 0.000 . 1 . . . . . 282 ARG C . 52494 1 815 . 1 . 1 290 290 ARG CA C 13 54.888 0.003 . 1 . . . . . 282 ARG CA . 52494 1 816 . 1 . 1 290 290 ARG N N 15 122.958 0.018 . 1 . . . . . 282 ARG N . 52494 1 817 . 1 . 1 291 291 LEU H H 1 9.364 0.002 . 1 . . . . . 283 LEU H . 52494 1 818 . 1 . 1 291 291 LEU CA C 13 53.948 0.009 . 1 . . . . . 283 LEU CA . 52494 1 819 . 1 . 1 291 291 LEU N N 15 125.475 0.007 . 1 . . . . . 283 LEU N . 52494 1 820 . 1 . 1 292 292 TYR H H 1 9.298 0.003 . 1 . . . . . 284 TYR H . 52494 1 821 . 1 . 1 292 292 TYR C C 13 175.634 0.000 . 1 . . . . . 284 TYR C . 52494 1 822 . 1 . 1 292 292 TYR CA C 13 56.532 0.004 . 1 . . . . . 284 TYR CA . 52494 1 823 . 1 . 1 292 292 TYR N N 15 122.454 0.018 . 1 . . . . . 284 TYR N . 52494 1 824 . 1 . 1 293 293 VAL H H 1 8.742 0.005 . 1 . . . . . 285 VAL H . 52494 1 825 . 1 . 1 293 293 VAL C C 13 173.511 0.000 . 1 . . . . . 285 VAL C . 52494 1 826 . 1 . 1 293 293 VAL CA C 13 59.700 0.020 . 1 . . . . . 285 VAL CA . 52494 1 827 . 1 . 1 293 293 VAL N N 15 127.541 0.024 . 1 . . . . . 285 VAL N . 52494 1 828 . 1 . 1 294 294 SER H H 1 8.457 0.005 . 1 . . . . . 286 SER H . 52494 1 829 . 1 . 1 294 294 SER C C 13 173.426 0.000 . 1 . . . . . 286 SER C . 52494 1 830 . 1 . 1 294 294 SER CA C 13 56.943 0.000 . 1 . . . . . 286 SER CA . 52494 1 831 . 1 . 1 294 294 SER N N 15 118.465 0.034 . 1 . . . . . 286 SER N . 52494 1 832 . 1 . 1 295 295 GLU H H 1 8.578 0.004 . 1 . . . . . 287 GLU H . 52494 1 833 . 1 . 1 295 295 GLU C C 13 177.097 0.000 . 1 . . . . . 287 GLU C . 52494 1 834 . 1 . 1 295 295 GLU CA C 13 58.921 0.013 . 1 . . . . . 287 GLU CA . 52494 1 835 . 1 . 1 295 295 GLU N N 15 121.027 0.016 . 1 . . . . . 287 GLU N . 52494 1 836 . 1 . 1 296 296 ASN H H 1 9.472 0.006 . 1 . . . . . 288 ASN H . 52494 1 837 . 1 . 1 296 296 ASN C C 13 174.980 0.000 . 1 . . . . . 288 ASN C . 52494 1 838 . 1 . 1 296 296 ASN CA C 13 54.655 0.013 . 1 . . . . . 288 ASN CA . 52494 1 839 . 1 . 1 296 296 ASN N N 15 121.292 0.036 . 1 . . . . . 288 ASN N . 52494 1 840 . 1 . 1 297 297 GLN H H 1 8.525 0.004 . 1 . . . . . 289 GLN H . 52494 1 841 . 1 . 1 297 297 GLN C C 13 171.782 0.000 . 1 . . . . . 289 GLN C . 52494 1 842 . 1 . 1 297 297 GLN CA C 13 56.405 0.008 . 1 . . . . . 289 GLN CA . 52494 1 843 . 1 . 1 297 297 GLN N N 15 121.274 0.018 . 1 . . . . . 289 GLN N . 52494 1 844 . 1 . 1 298 298 LEU H H 1 8.568 0.004 . 1 . . . . . 290 LEU H . 52494 1 845 . 1 . 1 298 298 LEU C C 13 173.428 0.000 . 1 . . . . . 290 LEU C . 52494 1 846 . 1 . 1 298 298 LEU CA C 13 52.634 0.019 . 1 . . . . . 290 LEU CA . 52494 1 847 . 1 . 1 298 298 LEU N N 15 124.979 0.026 . 1 . . . . . 290 LEU N . 52494 1 848 . 1 . 1 299 299 LYS H H 1 8.829 0.003 . 1 . . . . . 291 LYS H . 52494 1 849 . 1 . 1 299 299 LYS C C 13 175.028 0.000 . 1 . . . . . 291 LYS C . 52494 1 850 . 1 . 1 299 299 LYS CA C 13 53.757 0.003 . 1 . . . . . 291 LYS CA . 52494 1 851 . 1 . 1 299 299 LYS N N 15 127.253 0.011 . 1 . . . . . 291 LYS N . 52494 1 852 . 1 . 1 300 300 ILE H H 1 9.305 0.004 . 1 . . . . . 292 ILE H . 52494 1 853 . 1 . 1 300 300 ILE C C 13 175.652 0.000 . 1 . . . . . 292 ILE C . 52494 1 854 . 1 . 1 300 300 ILE CA C 13 59.331 0.000 . 1 . . . . . 292 ILE CA . 52494 1 855 . 1 . 1 300 300 ILE N N 15 128.701 0.015 . 1 . . . . . 292 ILE N . 52494 1 856 . 1 . 1 301 301 THR H H 1 9.281 0.004 . 1 . . . . . 293 THR H . 52494 1 857 . 1 . 1 301 301 THR C C 13 173.282 0.000 . 1 . . . . . 293 THR C . 52494 1 858 . 1 . 1 301 301 THR CA C 13 59.189 0.012 . 1 . . . . . 293 THR CA . 52494 1 859 . 1 . 1 301 301 THR N N 15 117.913 0.015 . 1 . . . . . 293 THR N . 52494 1 860 . 1 . 1 302 302 ALA H H 1 8.556 0.003 . 1 . . . . . 294 ALA H . 52494 1 861 . 1 . 1 302 302 ALA C C 13 175.301 0.000 . 1 . . . . . 294 ALA C . 52494 1 862 . 1 . 1 302 302 ALA CA C 13 50.754 0.000 . 1 . . . . . 294 ALA CA . 52494 1 863 . 1 . 1 302 302 ALA N N 15 123.337 0.010 . 1 . . . . . 294 ALA N . 52494 1 864 . 1 . 1 303 303 ASN H H 1 8.172 0.004 . 1 . . . . . 295 ASN H . 52494 1 865 . 1 . 1 303 303 ASN C C 13 173.781 0.000 . 1 . . . . . 295 ASN C . 52494 1 866 . 1 . 1 303 303 ASN CA C 13 52.750 0.001 . 1 . . . . . 295 ASN CA . 52494 1 867 . 1 . 1 303 303 ASN N N 15 116.575 0.022 . 1 . . . . . 295 ASN N . 52494 1 868 . 1 . 1 304 304 ASN H H 1 7.577 0.004 . 1 . . . . . 296 ASN H . 52494 1 869 . 1 . 1 304 304 ASN CA C 13 50.765 0.000 . 1 . . . . . 296 ASN CA . 52494 1 870 . 1 . 1 304 304 ASN N N 15 116.699 0.013 . 1 . . . . . 296 ASN N . 52494 1 871 . 1 . 1 306 306 GLU H H 1 7.927 0.008 . 1 . . . . . 298 GLU H . 52494 1 872 . 1 . 1 306 306 GLU C C 13 175.494 0.000 . 1 . . . . . 298 GLU C . 52494 1 873 . 1 . 1 306 306 GLU CA C 13 56.924 0.000 . 1 . . . . . 298 GLU CA . 52494 1 874 . 1 . 1 306 306 GLU N N 15 116.878 0.005 . 1 . . . . . 298 GLU N . 52494 1 875 . 1 . 1 307 307 GLN H H 1 8.479 0.003 . 1 . . . . . 299 GLN H . 52494 1 876 . 1 . 1 307 307 GLN C C 13 175.671 0.000 . 1 . . . . . 299 GLN C . 52494 1 877 . 1 . 1 307 307 GLN CA C 13 56.785 0.000 . 1 . . . . . 299 GLN CA . 52494 1 878 . 1 . 1 307 307 GLN N N 15 112.560 0.031 . 1 . . . . . 299 GLN N . 52494 1 879 . 1 . 1 308 308 GLU H H 1 7.935 0.002 . 1 . . . . . 300 GLU H . 52494 1 880 . 1 . 1 308 308 GLU C C 13 175.888 0.000 . 1 . . . . . 300 GLU C . 52494 1 881 . 1 . 1 308 308 GLU CA C 13 55.710 0.059 . 1 . . . . . 300 GLU CA . 52494 1 882 . 1 . 1 308 308 GLU N N 15 120.850 0.036 . 1 . . . . . 300 GLU N . 52494 1 883 . 1 . 1 309 309 GLU H H 1 7.988 0.003 . 1 . . . . . 301 GLU H . 52494 1 884 . 1 . 1 309 309 GLU C C 13 174.209 0.000 . 1 . . . . . 301 GLU C . 52494 1 885 . 1 . 1 309 309 GLU CA C 13 54.736 0.001 . 1 . . . . . 301 GLU CA . 52494 1 886 . 1 . 1 309 309 GLU N N 15 117.437 0.020 . 1 . . . . . 301 GLU N . 52494 1 887 . 1 . 1 310 310 ALA H H 1 9.085 0.005 . 1 . . . . . 302 ALA H . 52494 1 888 . 1 . 1 310 310 ALA C C 13 176.014 0.000 . 1 . . . . . 302 ALA C . 52494 1 889 . 1 . 1 310 310 ALA CA C 13 49.706 0.003 . 1 . . . . . 302 ALA CA . 52494 1 890 . 1 . 1 310 310 ALA N N 15 125.946 0.018 . 1 . . . . . 302 ALA N . 52494 1 891 . 1 . 1 311 311 GLU H H 1 8.679 0.004 . 1 . . . . . 303 GLU H . 52494 1 892 . 1 . 1 311 311 GLU C C 13 173.726 0.000 . 1 . . . . . 303 GLU C . 52494 1 893 . 1 . 1 311 311 GLU CA C 13 55.160 0.005 . 1 . . . . . 303 GLU CA . 52494 1 894 . 1 . 1 311 311 GLU N N 15 122.475 0.010 . 1 . . . . . 303 GLU N . 52494 1 895 . 1 . 1 312 312 GLU H H 1 8.870 0.004 . 1 . . . . . 304 GLU H . 52494 1 896 . 1 . 1 312 312 GLU C C 13 175.390 0.000 . 1 . . . . . 304 GLU C . 52494 1 897 . 1 . 1 312 312 GLU CA C 13 54.287 0.004 . 1 . . . . . 304 GLU CA . 52494 1 898 . 1 . 1 312 312 GLU N N 15 125.998 0.016 . 1 . . . . . 304 GLU N . 52494 1 899 . 1 . 1 313 313 ILE H H 1 7.493 0.004 . 1 . . . . . 305 ILE H . 52494 1 900 . 1 . 1 313 313 ILE C C 13 175.137 0.000 . 1 . . . . . 305 ILE C . 52494 1 901 . 1 . 1 313 313 ILE CA C 13 59.982 0.024 . 1 . . . . . 305 ILE CA . 52494 1 902 . 1 . 1 313 313 ILE N N 15 121.061 0.010 . 1 . . . . . 305 ILE N . 52494 1 903 . 1 . 1 314 314 LEU H H 1 9.110 0.004 . 1 . . . . . 306 LEU H . 52494 1 904 . 1 . 1 314 314 LEU C C 13 175.611 0.000 . 1 . . . . . 306 LEU C . 52494 1 905 . 1 . 1 314 314 LEU CA C 13 53.863 0.043 . 1 . . . . . 306 LEU CA . 52494 1 906 . 1 . 1 314 314 LEU N N 15 126.765 0.015 . 1 . . . . . 306 LEU N . 52494 1 907 . 1 . 1 315 315 ASP H H 1 8.331 0.005 . 1 . . . . . 307 ASP H . 52494 1 908 . 1 . 1 315 315 ASP C C 13 175.405 0.000 . 1 . . . . . 307 ASP C . 52494 1 909 . 1 . 1 315 315 ASP CA C 13 54.491 0.002 . 1 . . . . . 307 ASP CA . 52494 1 910 . 1 . 1 315 315 ASP N N 15 122.483 0.020 . 1 . . . . . 307 ASP N . 52494 1 911 . 1 . 1 316 316 VAL H H 1 7.389 0.006 . 1 . . . . . 308 VAL H . 52494 1 912 . 1 . 1 316 316 VAL C C 13 174.772 0.000 . 1 . . . . . 308 VAL C . 52494 1 913 . 1 . 1 316 316 VAL CA C 13 58.633 0.008 . 1 . . . . . 308 VAL CA . 52494 1 914 . 1 . 1 316 316 VAL N N 15 114.354 0.020 . 1 . . . . . 308 VAL N . 52494 1 915 . 1 . 1 317 317 THR H H 1 8.764 0.005 . 1 . . . . . 309 THR H . 52494 1 916 . 1 . 1 317 317 THR C C 13 174.285 0.000 . 1 . . . . . 309 THR C . 52494 1 917 . 1 . 1 317 317 THR CA C 13 61.872 0.019 . 1 . . . . . 309 THR CA . 52494 1 918 . 1 . 1 317 317 THR N N 15 117.435 0.022 . 1 . . . . . 309 THR N . 52494 1 919 . 1 . 1 318 318 TYR H H 1 8.813 0.005 . 1 . . . . . 310 TYR H . 52494 1 920 . 1 . 1 318 318 TYR C C 13 173.530 0.000 . 1 . . . . . 310 TYR C . 52494 1 921 . 1 . 1 318 318 TYR CA C 13 58.991 0.000 . 1 . . . . . 310 TYR CA . 52494 1 922 . 1 . 1 318 318 TYR N N 15 126.236 0.024 . 1 . . . . . 310 TYR N . 52494 1 923 . 1 . 1 319 319 SER H H 1 8.285 0.007 . 1 . . . . . 311 SER H . 52494 1 924 . 1 . 1 319 319 SER C C 13 173.097 0.000 . 1 . . . . . 311 SER C . 52494 1 925 . 1 . 1 319 319 SER CA C 13 56.135 0.002 . 1 . . . . . 311 SER CA . 52494 1 926 . 1 . 1 319 319 SER N N 15 123.495 0.006 . 1 . . . . . 311 SER N . 52494 1 927 . 1 . 1 320 320 GLY H H 1 6.435 0.004 . 1 . . . . . 312 GLY H . 52494 1 928 . 1 . 1 320 320 GLY C C 13 171.785 0.000 . 1 . . . . . 312 GLY C . 52494 1 929 . 1 . 1 320 320 GLY CA C 13 43.703 0.012 . 1 . . . . . 312 GLY CA . 52494 1 930 . 1 . 1 320 320 GLY N N 15 110.296 0.008 . 1 . . . . . 312 GLY N . 52494 1 931 . 1 . 1 321 321 ALA H H 1 7.718 0.003 . 1 . . . . . 313 ALA H . 52494 1 932 . 1 . 1 321 321 ALA C C 13 177.977 0.000 . 1 . . . . . 313 ALA C . 52494 1 933 . 1 . 1 321 321 ALA CA C 13 51.547 0.008 . 1 . . . . . 313 ALA CA . 52494 1 934 . 1 . 1 321 321 ALA N N 15 121.120 0.029 . 1 . . . . . 313 ALA N . 52494 1 935 . 1 . 1 322 322 GLU H H 1 8.471 0.004 . 1 . . . . . 314 GLU H . 52494 1 936 . 1 . 1 322 322 GLU C C 13 177.046 0.000 . 1 . . . . . 314 GLU C . 52494 1 937 . 1 . 1 322 322 GLU CA C 13 56.400 0.001 . 1 . . . . . 314 GLU CA . 52494 1 938 . 1 . 1 322 322 GLU N N 15 121.092 0.011 . 1 . . . . . 314 GLU N . 52494 1 939 . 1 . 1 323 323 MET H H 1 7.980 0.005 . 1 . . . . . 315 MET H . 52494 1 940 . 1 . 1 323 323 MET C C 13 172.416 0.000 . 1 . . . . . 315 MET C . 52494 1 941 . 1 . 1 323 323 MET CA C 13 55.159 0.002 . 1 . . . . . 315 MET CA . 52494 1 942 . 1 . 1 323 323 MET N N 15 118.220 0.013 . 1 . . . . . 315 MET N . 52494 1 943 . 1 . 1 324 324 GLU H H 1 8.069 0.004 . 1 . . . . . 316 GLU H . 52494 1 944 . 1 . 1 324 324 GLU C C 13 174.800 0.000 . 1 . . . . . 316 GLU C . 52494 1 945 . 1 . 1 324 324 GLU CA C 13 53.661 0.004 . 1 . . . . . 316 GLU CA . 52494 1 946 . 1 . 1 324 324 GLU N N 15 121.727 0.027 . 1 . . . . . 316 GLU N . 52494 1 947 . 1 . 1 325 325 ILE H H 1 8.830 0.004 . 1 . . . . . 317 ILE H . 52494 1 948 . 1 . 1 325 325 ILE C C 13 172.155 0.000 . 1 . . . . . 317 ILE C . 52494 1 949 . 1 . 1 325 325 ILE CA C 13 60.263 0.006 . 1 . . . . . 317 ILE CA . 52494 1 950 . 1 . 1 325 325 ILE N N 15 123.335 0.012 . 1 . . . . . 317 ILE N . 52494 1 951 . 1 . 1 326 326 GLY H H 1 8.353 0.005 . 1 . . . . . 318 GLY H . 52494 1 952 . 1 . 1 326 326 GLY C C 13 172.611 0.000 . 1 . . . . . 318 GLY C . 52494 1 953 . 1 . 1 326 326 GLY CA C 13 43.857 0.002 . 1 . . . . . 318 GLY CA . 52494 1 954 . 1 . 1 326 326 GLY N N 15 113.728 0.015 . 1 . . . . . 318 GLY N . 52494 1 955 . 1 . 1 327 327 PHE H H 1 8.460 0.005 . 1 . . . . . 319 PHE H . 52494 1 956 . 1 . 1 327 327 PHE C C 13 174.797 0.000 . 1 . . . . . 319 PHE C . 52494 1 957 . 1 . 1 327 327 PHE CA C 13 56.233 0.009 . 1 . . . . . 319 PHE CA . 52494 1 958 . 1 . 1 327 327 PHE N N 15 116.000 0.042 . 1 . . . . . 319 PHE N . 52494 1 959 . 1 . 1 328 328 ASN H H 1 8.819 0.006 . 1 . . . . . 320 ASN H . 52494 1 960 . 1 . 1 328 328 ASN C C 13 176.476 0.000 . 1 . . . . . 320 ASN C . 52494 1 961 . 1 . 1 328 328 ASN CA C 13 52.997 0.008 . 1 . . . . . 320 ASN CA . 52494 1 962 . 1 . 1 328 328 ASN N N 15 120.122 0.015 . 1 . . . . . 320 ASN N . 52494 1 963 . 1 . 1 329 329 VAL H H 1 9.081 0.003 . 1 . . . . . 321 VAL H . 52494 1 964 . 1 . 1 329 329 VAL C C 13 176.014 0.000 . 1 . . . . . 321 VAL C . 52494 1 965 . 1 . 1 329 329 VAL CA C 13 64.252 0.003 . 1 . . . . . 321 VAL CA . 52494 1 966 . 1 . 1 329 329 VAL N N 15 128.605 0.020 . 1 . . . . . 321 VAL N . 52494 1 967 . 1 . 1 330 330 SER H H 1 8.074 0.002 . 1 . . . . . 322 SER H . 52494 1 968 . 1 . 1 330 330 SER CA C 13 61.251 0.006 . 1 . . . . . 322 SER CA . 52494 1 969 . 1 . 1 330 330 SER N N 15 118.931 0.020 . 1 . . . . . 322 SER N . 52494 1 970 . 1 . 1 331 331 TYR H H 1 7.105 0.005 . 1 . . . . . 323 TYR H . 52494 1 971 . 1 . 1 331 331 TYR CA C 13 56.285 0.003 . 1 . . . . . 323 TYR CA . 52494 1 972 . 1 . 1 331 331 TYR N N 15 119.230 0.029 . 1 . . . . . 323 TYR N . 52494 1 973 . 1 . 1 332 332 VAL H H 1 6.988 0.001 . 1 . . . . . 324 VAL H . 52494 1 974 . 1 . 1 332 332 VAL CA C 13 65.636 0.012 . 1 . . . . . 324 VAL CA . 52494 1 975 . 1 . 1 332 332 VAL N N 15 118.296 0.027 . 1 . . . . . 324 VAL N . 52494 1 976 . 1 . 1 333 333 LEU H H 1 8.276 0.005 . 1 . . . . . 325 LEU H . 52494 1 977 . 1 . 1 333 333 LEU C C 13 178.678 0.000 . 1 . . . . . 325 LEU C . 52494 1 978 . 1 . 1 333 333 LEU CA C 13 58.166 0.021 . 1 . . . . . 325 LEU CA . 52494 1 979 . 1 . 1 333 333 LEU N N 15 121.400 0.007 . 1 . . . . . 325 LEU N . 52494 1 980 . 1 . 1 334 334 ASP H H 1 7.912 0.003 . 1 . . . . . 326 ASP H . 52494 1 981 . 1 . 1 334 334 ASP CA C 13 56.670 0.000 . 1 . . . . . 326 ASP CA . 52494 1 982 . 1 . 1 334 334 ASP N N 15 118.374 0.024 . 1 . . . . . 326 ASP N . 52494 1 983 . 1 . 1 335 335 VAL H H 1 6.493 0.003 . 1 . . . . . 327 VAL H . 52494 1 984 . 1 . 1 335 335 VAL CA C 13 65.391 0.019 . 1 . . . . . 327 VAL CA . 52494 1 985 . 1 . 1 335 335 VAL N N 15 117.672 0.026 . 1 . . . . . 327 VAL N . 52494 1 986 . 1 . 1 336 336 LEU H H 1 7.829 0.005 . 1 . . . . . 328 LEU H . 52494 1 987 . 1 . 1 336 336 LEU C C 13 179.250 0.000 . 1 . . . . . 328 LEU C . 52494 1 988 . 1 . 1 336 336 LEU CA C 13 57.374 0.005 . 1 . . . . . 328 LEU CA . 52494 1 989 . 1 . 1 336 336 LEU N N 15 116.851 0.009 . 1 . . . . . 328 LEU N . 52494 1 990 . 1 . 1 337 337 ASN H H 1 8.248 0.004 . 1 . . . . . 329 ASN H . 52494 1 991 . 1 . 1 337 337 ASN CA C 13 54.976 0.019 . 1 . . . . . 329 ASN CA . 52494 1 992 . 1 . 1 337 337 ASN N N 15 115.565 0.020 . 1 . . . . . 329 ASN N . 52494 1 993 . 1 . 1 338 338 ALA H H 1 6.998 0.004 . 1 . . . . . 330 ALA H . 52494 1 994 . 1 . 1 338 338 ALA C C 13 179.394 0.000 . 1 . . . . . 330 ALA C . 52494 1 995 . 1 . 1 338 338 ALA CA C 13 52.887 0.014 . 1 . . . . . 330 ALA CA . 52494 1 996 . 1 . 1 338 338 ALA N N 15 121.633 0.004 . 1 . . . . . 330 ALA N . 52494 1 997 . 1 . 1 339 339 LEU H H 1 7.447 0.005 . 1 . . . . . 331 LEU H . 52494 1 998 . 1 . 1 339 339 LEU C C 13 176.837 0.000 . 1 . . . . . 331 LEU C . 52494 1 999 . 1 . 1 339 339 LEU CA C 13 56.338 0.012 . 1 . . . . . 331 LEU CA . 52494 1 1000 . 1 . 1 339 339 LEU N N 15 120.058 0.015 . 1 . . . . . 331 LEU N . 52494 1 1001 . 1 . 1 340 340 LYS H H 1 7.544 0.004 . 1 . . . . . 332 LYS H . 52494 1 1002 . 1 . 1 340 340 LYS C C 13 175.038 0.000 . 1 . . . . . 332 LYS C . 52494 1 1003 . 1 . 1 340 340 LYS CA C 13 55.560 0.002 . 1 . . . . . 332 LYS CA . 52494 1 1004 . 1 . 1 340 340 LYS N N 15 116.733 0.034 . 1 . . . . . 332 LYS N . 52494 1 1005 . 1 . 1 341 341 CYS H H 1 7.100 0.003 . 1 . . . . . 333 CYS H . 52494 1 1006 . 1 . 1 341 341 CYS CA C 13 54.525 0.000 . 1 . . . . . 333 CYS CA . 52494 1 1007 . 1 . 1 341 341 CYS N N 15 114.524 0.024 . 1 . . . . . 333 CYS N . 52494 1 1008 . 1 . 1 342 342 GLU C C 13 178.071 0.000 . 1 . . . . . 334 GLU C . 52494 1 1009 . 1 . 1 342 342 GLU CA C 13 59.005 0.000 . 1 . . . . . 334 GLU CA . 52494 1 1010 . 1 . 1 343 343 ASN H H 1 9.061 0.003 . 1 . . . . . 335 ASN H . 52494 1 1011 . 1 . 1 343 343 ASN C C 13 173.556 0.000 . 1 . . . . . 335 ASN C . 52494 1 1012 . 1 . 1 343 343 ASN CA C 13 52.225 0.006 . 1 . . . . . 335 ASN CA . 52494 1 1013 . 1 . 1 343 343 ASN N N 15 118.500 0.010 . 1 . . . . . 335 ASN N . 52494 1 1014 . 1 . 1 344 344 VAL H H 1 9.385 0.003 . 1 . . . . . 336 VAL H . 52494 1 1015 . 1 . 1 344 344 VAL C C 13 173.119 0.000 . 1 . . . . . 336 VAL C . 52494 1 1016 . 1 . 1 344 344 VAL CA C 13 59.001 0.013 . 1 . . . . . 336 VAL CA . 52494 1 1017 . 1 . 1 344 344 VAL N N 15 119.419 0.013 . 1 . . . . . 336 VAL N . 52494 1 1018 . 1 . 1 345 345 ARG H H 1 9.139 0.005 . 1 . . . . . 337 ARG H . 52494 1 1019 . 1 . 1 345 345 ARG C C 13 174.800 0.000 . 1 . . . . . 337 ARG C . 52494 1 1020 . 1 . 1 345 345 ARG CA C 13 53.495 0.008 . 1 . . . . . 337 ARG CA . 52494 1 1021 . 1 . 1 345 345 ARG N N 15 123.707 0.011 . 1 . . . . . 337 ARG N . 52494 1 1022 . 1 . 1 346 346 MET H H 1 9.487 0.004 . 1 . . . . . 338 MET H . 52494 1 1023 . 1 . 1 346 346 MET C C 13 174.597 0.000 . 1 . . . . . 338 MET C . 52494 1 1024 . 1 . 1 346 346 MET CA C 13 53.912 0.000 . 1 . . . . . 338 MET CA . 52494 1 1025 . 1 . 1 346 346 MET N N 15 123.880 0.030 . 1 . . . . . 338 MET N . 52494 1 1026 . 1 . 1 347 347 MET H H 1 9.502 0.006 . 1 . . . . . 339 MET H . 52494 1 1027 . 1 . 1 347 347 MET C C 13 175.294 0.000 . 1 . . . . . 339 MET C . 52494 1 1028 . 1 . 1 347 347 MET CA C 13 54.679 0.002 . 1 . . . . . 339 MET CA . 52494 1 1029 . 1 . 1 347 347 MET N N 15 123.669 0.011 . 1 . . . . . 339 MET N . 52494 1 1030 . 1 . 1 348 348 LEU H H 1 9.175 0.003 . 1 . . . . . 340 LEU H . 52494 1 1031 . 1 . 1 348 348 LEU CA C 13 54.694 0.010 . 1 . . . . . 340 LEU CA . 52494 1 1032 . 1 . 1 348 348 LEU N N 15 125.086 0.008 . 1 . . . . . 340 LEU N . 52494 1 1033 . 1 . 1 349 349 THR H H 1 8.980 0.002 . 1 . . . . . 341 THR H . 52494 1 1034 . 1 . 1 349 349 THR CA C 13 63.866 0.000 . 1 . . . . . 341 THR CA . 52494 1 1035 . 1 . 1 349 349 THR N N 15 115.265 0.010 . 1 . . . . . 341 THR N . 52494 1 1036 . 1 . 1 350 350 ASP H H 1 7.700 0.002 . 1 . . . . . 342 ASP H . 52494 1 1037 . 1 . 1 350 350 ASP CA C 13 53.511 0.000 . 1 . . . . . 342 ASP CA . 52494 1 1038 . 1 . 1 350 350 ASP N N 15 118.463 0.004 . 1 . . . . . 342 ASP N . 52494 1 1039 . 1 . 1 351 351 SER H H 1 8.279 0.000 . 1 . . . . . 343 SER H . 52494 1 1040 . 1 . 1 351 351 SER C C 13 173.995 0.000 . 1 . . . . . 343 SER C . 52494 1 1041 . 1 . 1 351 351 SER N N 15 110.462 0.000 . 1 . . . . . 343 SER N . 52494 1 1042 . 1 . 1 352 352 VAL H H 1 7.674 0.005 . 1 . . . . . 344 VAL H . 52494 1 1043 . 1 . 1 352 352 VAL CA C 13 60.159 0.000 . 1 . . . . . 344 VAL CA . 52494 1 1044 . 1 . 1 352 352 VAL N N 15 110.277 0.000 . 1 . . . . . 344 VAL N . 52494 1 1045 . 1 . 1 353 353 SER H H 1 7.253 0.002 . 1 . . . . . 345 SER H . 52494 1 1046 . 1 . 1 353 353 SER C C 13 172.109 0.000 . 1 . . . . . 345 SER C . 52494 1 1047 . 1 . 1 353 353 SER CA C 13 57.640 0.000 . 1 . . . . . 345 SER CA . 52494 1 1048 . 1 . 1 353 353 SER N N 15 116.054 0.016 . 1 . . . . . 345 SER N . 52494 1 1049 . 1 . 1 354 354 SER H H 1 8.290 0.003 . 1 . . . . . 346 SER H . 52494 1 1050 . 1 . 1 354 354 SER CA C 13 58.995 0.006 . 1 . . . . . 346 SER CA . 52494 1 1051 . 1 . 1 354 354 SER N N 15 115.313 0.005 . 1 . . . . . 346 SER N . 52494 1 1052 . 1 . 1 355 355 VAL H H 1 8.321 0.004 . 1 . . . . . 347 VAL H . 52494 1 1053 . 1 . 1 355 355 VAL C C 13 173.946 0.000 . 1 . . . . . 347 VAL C . 52494 1 1054 . 1 . 1 355 355 VAL CA C 13 60.517 0.017 . 1 . . . . . 347 VAL CA . 52494 1 1055 . 1 . 1 355 355 VAL N N 15 120.727 0.011 . 1 . . . . . 347 VAL N . 52494 1 1056 . 1 . 1 356 356 GLN H H 1 7.990 0.004 . 1 . . . . . 348 GLN H . 52494 1 1057 . 1 . 1 356 356 GLN CA C 13 53.364 0.003 . 1 . . . . . 348 GLN CA . 52494 1 1058 . 1 . 1 356 356 GLN N N 15 125.953 0.016 . 1 . . . . . 348 GLN N . 52494 1 1059 . 1 . 1 357 357 ILE H H 1 9.743 0.002 . 1 . . . . . 349 ILE H . 52494 1 1060 . 1 . 1 357 357 ILE C C 13 174.336 0.000 . 1 . . . . . 349 ILE C . 52494 1 1061 . 1 . 1 357 357 ILE CA C 13 60.192 0.005 . 1 . . . . . 349 ILE CA . 52494 1 1062 . 1 . 1 357 357 ILE N N 15 127.376 0.018 . 1 . . . . . 349 ILE N . 52494 1 1063 . 1 . 1 358 358 GLU H H 1 8.843 0.003 . 1 . . . . . 350 GLU H . 52494 1 1064 . 1 . 1 358 358 GLU C C 13 175.285 0.000 . 1 . . . . . 350 GLU C . 52494 1 1065 . 1 . 1 358 358 GLU CA C 13 53.899 0.002 . 1 . . . . . 350 GLU CA . 52494 1 1066 . 1 . 1 358 358 GLU N N 15 122.559 0.016 . 1 . . . . . 350 GLU N . 52494 1 1067 . 1 . 1 359 359 ASP H H 1 8.852 0.003 . 1 . . . . . 351 ASP H . 52494 1 1068 . 1 . 1 359 359 ASP C C 13 178.003 0.000 . 1 . . . . . 351 ASP C . 52494 1 1069 . 1 . 1 359 359 ASP CA C 13 54.278 0.004 . 1 . . . . . 351 ASP CA . 52494 1 1070 . 1 . 1 359 359 ASP N N 15 122.559 0.011 . 1 . . . . . 351 ASP N . 52494 1 1071 . 1 . 1 360 360 ALA H H 1 8.849 0.003 . 1 . . . . . 352 ALA H . 52494 1 1072 . 1 . 1 360 360 ALA C C 13 178.093 0.000 . 1 . . . . . 352 ALA C . 52494 1 1073 . 1 . 1 360 360 ALA CA C 13 53.934 0.006 . 1 . . . . . 352 ALA CA . 52494 1 1074 . 1 . 1 360 360 ALA N N 15 131.116 0.026 . 1 . . . . . 352 ALA N . 52494 1 1075 . 1 . 1 361 361 ALA H H 1 9.197 0.003 . 1 . . . . . 353 ALA H . 52494 1 1076 . 1 . 1 361 361 ALA C C 13 177.744 0.000 . 1 . . . . . 353 ALA C . 52494 1 1077 . 1 . 1 361 361 ALA CA C 13 51.307 0.002 . 1 . . . . . 353 ALA CA . 52494 1 1078 . 1 . 1 361 361 ALA N N 15 118.996 0.011 . 1 . . . . . 353 ALA N . 52494 1 1079 . 1 . 1 362 362 SER H H 1 7.237 0.005 . 1 . . . . . 354 SER H . 52494 1 1080 . 1 . 1 362 362 SER CA C 13 57.599 0.000 . 1 . . . . . 354 SER CA . 52494 1 1081 . 1 . 1 362 362 SER N N 15 112.101 0.015 . 1 . . . . . 354 SER N . 52494 1 1082 . 1 . 1 364 364 SER C C 13 173.513 0.000 . 1 . . . . . 356 SER C . 52494 1 1083 . 1 . 1 364 364 SER CA C 13 60.615 0.000 . 1 . . . . . 356 SER CA . 52494 1 1084 . 1 . 1 365 365 ALA H H 1 7.298 0.003 . 1 . . . . . 357 ALA H . 52494 1 1085 . 1 . 1 365 365 ALA C C 13 176.341 0.000 . 1 . . . . . 357 ALA C . 52494 1 1086 . 1 . 1 365 365 ALA CA C 13 49.988 0.019 . 1 . . . . . 357 ALA CA . 52494 1 1087 . 1 . 1 365 365 ALA N N 15 120.804 0.031 . 1 . . . . . 357 ALA N . 52494 1 1088 . 1 . 1 366 366 ALA H H 1 8.768 0.004 . 1 . . . . . 358 ALA H . 52494 1 1089 . 1 . 1 366 366 ALA CA C 13 51.323 0.000 . 1 . . . . . 358 ALA CA . 52494 1 1090 . 1 . 1 366 366 ALA N N 15 124.162 0.009 . 1 . . . . . 358 ALA N . 52494 1 1091 . 1 . 1 367 367 TYR H H 1 8.019 0.007 . 1 . . . . . 359 TYR H . 52494 1 1092 . 1 . 1 367 367 TYR C C 13 175.382 0.000 . 1 . . . . . 359 TYR C . 52494 1 1093 . 1 . 1 367 367 TYR CA C 13 56.045 0.001 . 1 . . . . . 359 TYR CA . 52494 1 1094 . 1 . 1 367 367 TYR N N 15 116.991 0.014 . 1 . . . . . 359 TYR N . 52494 1 1095 . 1 . 1 368 368 VAL H H 1 9.085 0.003 . 1 . . . . . 360 VAL H . 52494 1 1096 . 1 . 1 368 368 VAL C C 13 175.641 0.000 . 1 . . . . . 360 VAL C . 52494 1 1097 . 1 . 1 368 368 VAL CA C 13 60.000 0.002 . 1 . . . . . 360 VAL CA . 52494 1 1098 . 1 . 1 368 368 VAL N N 15 122.525 0.049 . 1 . . . . . 360 VAL N . 52494 1 1099 . 1 . 1 369 369 VAL H H 1 8.583 0.001 . 1 . . . . . 361 VAL H . 52494 1 1100 . 1 . 1 369 369 VAL C C 13 174.736 0.000 . 1 . . . . . 361 VAL C . 52494 1 1101 . 1 . 1 369 369 VAL CA C 13 60.330 0.000 . 1 . . . . . 361 VAL CA . 52494 1 1102 . 1 . 1 369 369 VAL N N 15 124.094 0.006 . 1 . . . . . 361 VAL N . 52494 1 1103 . 1 . 1 370 370 MET H H 1 8.311 0.005 . 1 . . . . . 362 MET H . 52494 1 1104 . 1 . 1 370 370 MET CA C 13 52.562 0.000 . 1 . . . . . 362 MET CA . 52494 1 1105 . 1 . 1 370 370 MET N N 15 125.680 0.041 . 1 . . . . . 362 MET N . 52494 1 1106 . 1 . 1 371 371 PRO C C 13 176.314 0.000 . 1 . . . . . 363 PRO C . 52494 1 1107 . 1 . 1 371 371 PRO CA C 13 62.349 0.000 . 1 . . . . . 363 PRO CA . 52494 1 1108 . 1 . 1 372 372 MET H H 1 8.055 0.005 . 1 . . . . . 364 MET H . 52494 1 1109 . 1 . 1 372 372 MET C C 13 175.154 0.000 . 1 . . . . . 364 MET C . 52494 1 1110 . 1 . 1 372 372 MET CA C 13 54.154 0.011 . 1 . . . . . 364 MET CA . 52494 1 1111 . 1 . 1 372 372 MET N N 15 119.937 0.011 . 1 . . . . . 364 MET N . 52494 1 1112 . 1 . 1 373 373 ARG H H 1 8.371 0.006 . 1 . . . . . 365 ARG H . 52494 1 1113 . 1 . 1 373 373 ARG C C 13 175.095 0.000 . 1 . . . . . 365 ARG C . 52494 1 1114 . 1 . 1 373 373 ARG CA C 13 55.800 0.006 . 1 . . . . . 365 ARG CA . 52494 1 1115 . 1 . 1 373 373 ARG N N 15 125.231 0.004 . 1 . . . . . 365 ARG N . 52494 1 1116 . 1 . 1 374 374 LEU H H 1 7.898 0.004 . 1 . . . . . 366 LEU H . 52494 1 1117 . 1 . 1 374 374 LEU CA C 13 55.903 0.000 . 1 . . . . . 366 LEU CA . 52494 1 1118 . 1 . 1 374 374 LEU N N 15 132.047 0.032 . 1 . . . . . 366 LEU N . 52494 1 stop_ save_