data_52495 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52495 _Entry.Title ; Backbone resonance assignment of the bacterial DNA sliding clamp, b-clamp, in complex with a 8-mer pol III peptide ; _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 52495 2 Andreas Prestel . . . 0000-0002-5459-9608 52495 3 Birthe Kragelund . . . 0000-0002-7454-1761 52495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 810 52495 '15N chemical shifts' 305 52495 '1H chemical shifts' 305 52495 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 . 52495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52494 'the bacterial DNA sliding clamp, b-clamp; apo state' 52495 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52495 _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 . . . . 52495 1 2 Andreas Prestel . . . . 52495 1 3 Birthe Kragelund . . . . 52495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52495 _Assembly.ID 1 _Assembly.Name 'b-clamp homodimer + pol III peptide (Ac-EQVELEFD)' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 2 _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 . . . 52495 1 2 'b-clamp, chain 2' 1 $entity_1 . . yes native no no . . . 52495 1 3 'pol III peptide, chain 1' 2 $entity_2 . . no native no no . . . 52495 1 4 'pol III peptide, chain 2' 2 $entity_2 . . no native no no . . . 52495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52495 _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' 52495 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 . 52495 1 2 -6 GLY . 52495 1 3 -5 HIS . 52495 1 4 -4 HIS . 52495 1 5 -3 HIS . 52495 1 6 -2 HIS . 52495 1 7 -1 HIS . 52495 1 8 0 HIS . 52495 1 9 1 MET . 52495 1 10 2 LYS . 52495 1 11 3 PHE . 52495 1 12 4 THR . 52495 1 13 5 VAL . 52495 1 14 6 GLU . 52495 1 15 7 ARG . 52495 1 16 8 GLU . 52495 1 17 9 HIS . 52495 1 18 10 LEU . 52495 1 19 11 LEU . 52495 1 20 12 LYS . 52495 1 21 13 PRO . 52495 1 22 14 LEU . 52495 1 23 15 GLN . 52495 1 24 16 GLN . 52495 1 25 17 VAL . 52495 1 26 18 SER . 52495 1 27 19 GLY . 52495 1 28 20 PRO . 52495 1 29 21 LEU . 52495 1 30 22 GLY . 52495 1 31 23 GLY . 52495 1 32 24 ARG . 52495 1 33 25 PRO . 52495 1 34 26 THR . 52495 1 35 27 LEU . 52495 1 36 28 PRO . 52495 1 37 29 ILE . 52495 1 38 30 LEU . 52495 1 39 31 GLY . 52495 1 40 32 ASN . 52495 1 41 33 LEU . 52495 1 42 34 LEU . 52495 1 43 35 LEU . 52495 1 44 36 GLN . 52495 1 45 37 VAL . 52495 1 46 38 ALA . 52495 1 47 39 ASP . 52495 1 48 40 GLY . 52495 1 49 41 THR . 52495 1 50 42 LEU . 52495 1 51 43 SER . 52495 1 52 44 LEU . 52495 1 53 45 THR . 52495 1 54 46 GLY . 52495 1 55 47 THR . 52495 1 56 48 ASP . 52495 1 57 49 LEU . 52495 1 58 50 GLU . 52495 1 59 51 MET . 52495 1 60 52 GLU . 52495 1 61 53 MET . 52495 1 62 54 VAL . 52495 1 63 55 ALA . 52495 1 64 56 ARG . 52495 1 65 57 VAL . 52495 1 66 58 ALA . 52495 1 67 59 LEU . 52495 1 68 60 VAL . 52495 1 69 61 GLN . 52495 1 70 62 PRO . 52495 1 71 63 HIS . 52495 1 72 64 GLU . 52495 1 73 65 PRO . 52495 1 74 66 GLY . 52495 1 75 67 ALA . 52495 1 76 68 THR . 52495 1 77 69 THR . 52495 1 78 70 VAL . 52495 1 79 71 PRO . 52495 1 80 72 ALA . 52495 1 81 73 ARG . 52495 1 82 74 LYS . 52495 1 83 75 PHE . 52495 1 84 76 PHE . 52495 1 85 77 ASP . 52495 1 86 78 ILE . 52495 1 87 79 CYS . 52495 1 88 80 ARG . 52495 1 89 81 GLY . 52495 1 90 82 LEU . 52495 1 91 83 PRO . 52495 1 92 84 GLU . 52495 1 93 85 GLY . 52495 1 94 86 ALA . 52495 1 95 87 GLU . 52495 1 96 88 ILE . 52495 1 97 89 ALA . 52495 1 98 90 VAL . 52495 1 99 91 GLN . 52495 1 100 92 LEU . 52495 1 101 93 GLU . 52495 1 102 94 GLY . 52495 1 103 95 GLU . 52495 1 104 96 ARG . 52495 1 105 97 MET . 52495 1 106 98 LEU . 52495 1 107 99 VAL . 52495 1 108 100 ARG . 52495 1 109 101 SER . 52495 1 110 102 GLY . 52495 1 111 103 ARG . 52495 1 112 104 SER . 52495 1 113 105 ARG . 52495 1 114 106 PHE . 52495 1 115 107 SER . 52495 1 116 108 LEU . 52495 1 117 109 SER . 52495 1 118 110 THR . 52495 1 119 111 LEU . 52495 1 120 112 PRO . 52495 1 121 113 ALA . 52495 1 122 114 ALA . 52495 1 123 115 ASP . 52495 1 124 116 PHE . 52495 1 125 117 PRO . 52495 1 126 118 ASN . 52495 1 127 119 LEU . 52495 1 128 120 ASP . 52495 1 129 121 ASP . 52495 1 130 122 TRP . 52495 1 131 123 GLN . 52495 1 132 124 SER . 52495 1 133 125 GLU . 52495 1 134 126 VAL . 52495 1 135 127 GLU . 52495 1 136 128 PHE . 52495 1 137 129 THR . 52495 1 138 130 LEU . 52495 1 139 131 PRO . 52495 1 140 132 GLN . 52495 1 141 133 ALA . 52495 1 142 134 THR . 52495 1 143 135 MET . 52495 1 144 136 LYS . 52495 1 145 137 ARG . 52495 1 146 138 LEU . 52495 1 147 139 ILE . 52495 1 148 140 GLU . 52495 1 149 141 ALA . 52495 1 150 142 THR . 52495 1 151 143 GLN . 52495 1 152 144 PHE . 52495 1 153 145 SER . 52495 1 154 146 MET . 52495 1 155 147 ALA . 52495 1 156 148 HIS . 52495 1 157 149 GLN . 52495 1 158 150 ASP . 52495 1 159 151 VAL . 52495 1 160 152 ARG . 52495 1 161 153 TYR . 52495 1 162 154 TYR . 52495 1 163 155 LEU . 52495 1 164 156 ASN . 52495 1 165 157 GLY . 52495 1 166 158 MET . 52495 1 167 159 LEU . 52495 1 168 160 PHE . 52495 1 169 161 GLU . 52495 1 170 162 THR . 52495 1 171 163 GLU . 52495 1 172 164 GLY . 52495 1 173 165 GLU . 52495 1 174 166 GLU . 52495 1 175 167 LEU . 52495 1 176 168 ARG . 52495 1 177 169 THR . 52495 1 178 170 VAL . 52495 1 179 171 ALA . 52495 1 180 172 THR . 52495 1 181 173 ASP . 52495 1 182 174 GLY . 52495 1 183 175 HIS . 52495 1 184 176 ARG . 52495 1 185 177 LEU . 52495 1 186 178 ALA . 52495 1 187 179 VAL . 52495 1 188 180 CYS . 52495 1 189 181 SER . 52495 1 190 182 MET . 52495 1 191 183 PRO . 52495 1 192 184 ILE . 52495 1 193 185 GLY . 52495 1 194 186 GLN . 52495 1 195 187 SER . 52495 1 196 188 LEU . 52495 1 197 189 PRO . 52495 1 198 190 SER . 52495 1 199 191 HIS . 52495 1 200 192 SER . 52495 1 201 193 VAL . 52495 1 202 194 ILE . 52495 1 203 195 VAL . 52495 1 204 196 PRO . 52495 1 205 197 ARG . 52495 1 206 198 LYS . 52495 1 207 199 GLY . 52495 1 208 200 VAL . 52495 1 209 201 ILE . 52495 1 210 202 GLU . 52495 1 211 203 LEU . 52495 1 212 204 MET . 52495 1 213 205 ARG . 52495 1 214 206 MET . 52495 1 215 207 LEU . 52495 1 216 208 ASP . 52495 1 217 209 GLY . 52495 1 218 210 GLY . 52495 1 219 211 ASP . 52495 1 220 212 ASN . 52495 1 221 213 PRO . 52495 1 222 214 LEU . 52495 1 223 215 ARG . 52495 1 224 216 VAL . 52495 1 225 217 GLN . 52495 1 226 218 ILE . 52495 1 227 219 GLY . 52495 1 228 220 SER . 52495 1 229 221 ASN . 52495 1 230 222 ASN . 52495 1 231 223 ILE . 52495 1 232 224 ARG . 52495 1 233 225 ALA . 52495 1 234 226 HIS . 52495 1 235 227 VAL . 52495 1 236 228 GLY . 52495 1 237 229 ASP . 52495 1 238 230 PHE . 52495 1 239 231 ILE . 52495 1 240 232 PHE . 52495 1 241 233 THR . 52495 1 242 234 SER . 52495 1 243 235 LYS . 52495 1 244 236 LEU . 52495 1 245 237 VAL . 52495 1 246 238 ASP . 52495 1 247 239 GLY . 52495 1 248 240 ARG . 52495 1 249 241 PHE . 52495 1 250 242 PRO . 52495 1 251 243 ASP . 52495 1 252 244 TYR . 52495 1 253 245 ARG . 52495 1 254 246 ARG . 52495 1 255 247 VAL . 52495 1 256 248 LEU . 52495 1 257 249 PRO . 52495 1 258 250 LYS . 52495 1 259 251 ASN . 52495 1 260 252 PRO . 52495 1 261 253 ASP . 52495 1 262 254 LYS . 52495 1 263 255 HIS . 52495 1 264 256 LEU . 52495 1 265 257 GLU . 52495 1 266 258 ALA . 52495 1 267 259 GLY . 52495 1 268 260 CYS . 52495 1 269 261 ASP . 52495 1 270 262 LEU . 52495 1 271 263 LEU . 52495 1 272 264 LYS . 52495 1 273 265 GLN . 52495 1 274 266 ALA . 52495 1 275 267 PHE . 52495 1 276 268 ALA . 52495 1 277 269 ARG . 52495 1 278 270 ALA . 52495 1 279 271 ALA . 52495 1 280 272 ILE . 52495 1 281 273 LEU . 52495 1 282 274 SER . 52495 1 283 275 ASN . 52495 1 284 276 GLU . 52495 1 285 277 LYS . 52495 1 286 278 PHE . 52495 1 287 279 ARG . 52495 1 288 280 GLY . 52495 1 289 281 VAL . 52495 1 290 282 ARG . 52495 1 291 283 LEU . 52495 1 292 284 TYR . 52495 1 293 285 VAL . 52495 1 294 286 SER . 52495 1 295 287 GLU . 52495 1 296 288 ASN . 52495 1 297 289 GLN . 52495 1 298 290 LEU . 52495 1 299 291 LYS . 52495 1 300 292 ILE . 52495 1 301 293 THR . 52495 1 302 294 ALA . 52495 1 303 295 ASN . 52495 1 304 296 ASN . 52495 1 305 297 PRO . 52495 1 306 298 GLU . 52495 1 307 299 GLN . 52495 1 308 300 GLU . 52495 1 309 301 GLU . 52495 1 310 302 ALA . 52495 1 311 303 GLU . 52495 1 312 304 GLU . 52495 1 313 305 ILE . 52495 1 314 306 LEU . 52495 1 315 307 ASP . 52495 1 316 308 VAL . 52495 1 317 309 THR . 52495 1 318 310 TYR . 52495 1 319 311 SER . 52495 1 320 312 GLY . 52495 1 321 313 ALA . 52495 1 322 314 GLU . 52495 1 323 315 MET . 52495 1 324 316 GLU . 52495 1 325 317 ILE . 52495 1 326 318 GLY . 52495 1 327 319 PHE . 52495 1 328 320 ASN . 52495 1 329 321 VAL . 52495 1 330 322 SER . 52495 1 331 323 TYR . 52495 1 332 324 VAL . 52495 1 333 325 LEU . 52495 1 334 326 ASP . 52495 1 335 327 VAL . 52495 1 336 328 LEU . 52495 1 337 329 ASN . 52495 1 338 330 ALA . 52495 1 339 331 LEU . 52495 1 340 332 LYS . 52495 1 341 333 CYS . 52495 1 342 334 GLU . 52495 1 343 335 ASN . 52495 1 344 336 VAL . 52495 1 345 337 ARG . 52495 1 346 338 MET . 52495 1 347 339 MET . 52495 1 348 340 LEU . 52495 1 349 341 THR . 52495 1 350 342 ASP . 52495 1 351 343 SER . 52495 1 352 344 VAL . 52495 1 353 345 SER . 52495 1 354 346 SER . 52495 1 355 347 VAL . 52495 1 356 348 GLN . 52495 1 357 349 ILE . 52495 1 358 350 GLU . 52495 1 359 351 ASP . 52495 1 360 352 ALA . 52495 1 361 353 ALA . 52495 1 362 354 SER . 52495 1 363 355 GLN . 52495 1 364 356 SER . 52495 1 365 357 ALA . 52495 1 366 358 ALA . 52495 1 367 359 TYR . 52495 1 368 360 VAL . 52495 1 369 361 VAL . 52495 1 370 362 MET . 52495 1 371 363 PRO . 52495 1 372 364 MET . 52495 1 373 365 ARG . 52495 1 374 366 LEU . 52495 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 52495 1 . GLY 2 2 52495 1 . HIS 3 3 52495 1 . HIS 4 4 52495 1 . HIS 5 5 52495 1 . HIS 6 6 52495 1 . HIS 7 7 52495 1 . HIS 8 8 52495 1 . MET 9 9 52495 1 . LYS 10 10 52495 1 . PHE 11 11 52495 1 . THR 12 12 52495 1 . VAL 13 13 52495 1 . GLU 14 14 52495 1 . ARG 15 15 52495 1 . GLU 16 16 52495 1 . HIS 17 17 52495 1 . LEU 18 18 52495 1 . LEU 19 19 52495 1 . LYS 20 20 52495 1 . PRO 21 21 52495 1 . LEU 22 22 52495 1 . GLN 23 23 52495 1 . GLN 24 24 52495 1 . VAL 25 25 52495 1 . SER 26 26 52495 1 . GLY 27 27 52495 1 . PRO 28 28 52495 1 . LEU 29 29 52495 1 . GLY 30 30 52495 1 . GLY 31 31 52495 1 . ARG 32 32 52495 1 . PRO 33 33 52495 1 . THR 34 34 52495 1 . LEU 35 35 52495 1 . PRO 36 36 52495 1 . ILE 37 37 52495 1 . LEU 38 38 52495 1 . GLY 39 39 52495 1 . ASN 40 40 52495 1 . LEU 41 41 52495 1 . LEU 42 42 52495 1 . LEU 43 43 52495 1 . GLN 44 44 52495 1 . VAL 45 45 52495 1 . ALA 46 46 52495 1 . ASP 47 47 52495 1 . GLY 48 48 52495 1 . THR 49 49 52495 1 . LEU 50 50 52495 1 . SER 51 51 52495 1 . LEU 52 52 52495 1 . THR 53 53 52495 1 . GLY 54 54 52495 1 . THR 55 55 52495 1 . ASP 56 56 52495 1 . LEU 57 57 52495 1 . GLU 58 58 52495 1 . MET 59 59 52495 1 . GLU 60 60 52495 1 . MET 61 61 52495 1 . VAL 62 62 52495 1 . ALA 63 63 52495 1 . ARG 64 64 52495 1 . VAL 65 65 52495 1 . ALA 66 66 52495 1 . LEU 67 67 52495 1 . VAL 68 68 52495 1 . GLN 69 69 52495 1 . PRO 70 70 52495 1 . HIS 71 71 52495 1 . GLU 72 72 52495 1 . PRO 73 73 52495 1 . GLY 74 74 52495 1 . ALA 75 75 52495 1 . THR 76 76 52495 1 . THR 77 77 52495 1 . VAL 78 78 52495 1 . PRO 79 79 52495 1 . ALA 80 80 52495 1 . ARG 81 81 52495 1 . LYS 82 82 52495 1 . PHE 83 83 52495 1 . PHE 84 84 52495 1 . ASP 85 85 52495 1 . ILE 86 86 52495 1 . CYS 87 87 52495 1 . ARG 88 88 52495 1 . GLY 89 89 52495 1 . LEU 90 90 52495 1 . PRO 91 91 52495 1 . GLU 92 92 52495 1 . GLY 93 93 52495 1 . ALA 94 94 52495 1 . GLU 95 95 52495 1 . ILE 96 96 52495 1 . ALA 97 97 52495 1 . VAL 98 98 52495 1 . GLN 99 99 52495 1 . LEU 100 100 52495 1 . GLU 101 101 52495 1 . GLY 102 102 52495 1 . GLU 103 103 52495 1 . ARG 104 104 52495 1 . MET 105 105 52495 1 . LEU 106 106 52495 1 . VAL 107 107 52495 1 . ARG 108 108 52495 1 . SER 109 109 52495 1 . GLY 110 110 52495 1 . ARG 111 111 52495 1 . SER 112 112 52495 1 . ARG 113 113 52495 1 . PHE 114 114 52495 1 . SER 115 115 52495 1 . LEU 116 116 52495 1 . SER 117 117 52495 1 . THR 118 118 52495 1 . LEU 119 119 52495 1 . PRO 120 120 52495 1 . ALA 121 121 52495 1 . ALA 122 122 52495 1 . ASP 123 123 52495 1 . PHE 124 124 52495 1 . PRO 125 125 52495 1 . ASN 126 126 52495 1 . LEU 127 127 52495 1 . ASP 128 128 52495 1 . ASP 129 129 52495 1 . TRP 130 130 52495 1 . GLN 131 131 52495 1 . SER 132 132 52495 1 . GLU 133 133 52495 1 . VAL 134 134 52495 1 . GLU 135 135 52495 1 . PHE 136 136 52495 1 . THR 137 137 52495 1 . LEU 138 138 52495 1 . PRO 139 139 52495 1 . GLN 140 140 52495 1 . ALA 141 141 52495 1 . THR 142 142 52495 1 . MET 143 143 52495 1 . LYS 144 144 52495 1 . ARG 145 145 52495 1 . LEU 146 146 52495 1 . ILE 147 147 52495 1 . GLU 148 148 52495 1 . ALA 149 149 52495 1 . THR 150 150 52495 1 . GLN 151 151 52495 1 . PHE 152 152 52495 1 . SER 153 153 52495 1 . MET 154 154 52495 1 . ALA 155 155 52495 1 . HIS 156 156 52495 1 . GLN 157 157 52495 1 . ASP 158 158 52495 1 . VAL 159 159 52495 1 . ARG 160 160 52495 1 . TYR 161 161 52495 1 . TYR 162 162 52495 1 . LEU 163 163 52495 1 . ASN 164 164 52495 1 . GLY 165 165 52495 1 . MET 166 166 52495 1 . LEU 167 167 52495 1 . PHE 168 168 52495 1 . GLU 169 169 52495 1 . THR 170 170 52495 1 . GLU 171 171 52495 1 . GLY 172 172 52495 1 . GLU 173 173 52495 1 . GLU 174 174 52495 1 . LEU 175 175 52495 1 . ARG 176 176 52495 1 . THR 177 177 52495 1 . VAL 178 178 52495 1 . ALA 179 179 52495 1 . THR 180 180 52495 1 . ASP 181 181 52495 1 . GLY 182 182 52495 1 . HIS 183 183 52495 1 . ARG 184 184 52495 1 . LEU 185 185 52495 1 . ALA 186 186 52495 1 . VAL 187 187 52495 1 . CYS 188 188 52495 1 . SER 189 189 52495 1 . MET 190 190 52495 1 . PRO 191 191 52495 1 . ILE 192 192 52495 1 . GLY 193 193 52495 1 . GLN 194 194 52495 1 . SER 195 195 52495 1 . LEU 196 196 52495 1 . PRO 197 197 52495 1 . SER 198 198 52495 1 . HIS 199 199 52495 1 . SER 200 200 52495 1 . VAL 201 201 52495 1 . ILE 202 202 52495 1 . VAL 203 203 52495 1 . PRO 204 204 52495 1 . ARG 205 205 52495 1 . LYS 206 206 52495 1 . GLY 207 207 52495 1 . VAL 208 208 52495 1 . ILE 209 209 52495 1 . GLU 210 210 52495 1 . LEU 211 211 52495 1 . MET 212 212 52495 1 . ARG 213 213 52495 1 . MET 214 214 52495 1 . LEU 215 215 52495 1 . ASP 216 216 52495 1 . GLY 217 217 52495 1 . GLY 218 218 52495 1 . ASP 219 219 52495 1 . ASN 220 220 52495 1 . PRO 221 221 52495 1 . LEU 222 222 52495 1 . ARG 223 223 52495 1 . VAL 224 224 52495 1 . GLN 225 225 52495 1 . ILE 226 226 52495 1 . GLY 227 227 52495 1 . SER 228 228 52495 1 . ASN 229 229 52495 1 . ASN 230 230 52495 1 . ILE 231 231 52495 1 . ARG 232 232 52495 1 . ALA 233 233 52495 1 . HIS 234 234 52495 1 . VAL 235 235 52495 1 . GLY 236 236 52495 1 . ASP 237 237 52495 1 . PHE 238 238 52495 1 . ILE 239 239 52495 1 . PHE 240 240 52495 1 . THR 241 241 52495 1 . SER 242 242 52495 1 . LYS 243 243 52495 1 . LEU 244 244 52495 1 . VAL 245 245 52495 1 . ASP 246 246 52495 1 . GLY 247 247 52495 1 . ARG 248 248 52495 1 . PHE 249 249 52495 1 . PRO 250 250 52495 1 . ASP 251 251 52495 1 . TYR 252 252 52495 1 . ARG 253 253 52495 1 . ARG 254 254 52495 1 . VAL 255 255 52495 1 . LEU 256 256 52495 1 . PRO 257 257 52495 1 . LYS 258 258 52495 1 . ASN 259 259 52495 1 . PRO 260 260 52495 1 . ASP 261 261 52495 1 . LYS 262 262 52495 1 . HIS 263 263 52495 1 . LEU 264 264 52495 1 . GLU 265 265 52495 1 . ALA 266 266 52495 1 . GLY 267 267 52495 1 . CYS 268 268 52495 1 . ASP 269 269 52495 1 . LEU 270 270 52495 1 . LEU 271 271 52495 1 . LYS 272 272 52495 1 . GLN 273 273 52495 1 . ALA 274 274 52495 1 . PHE 275 275 52495 1 . ALA 276 276 52495 1 . ARG 277 277 52495 1 . ALA 278 278 52495 1 . ALA 279 279 52495 1 . ILE 280 280 52495 1 . LEU 281 281 52495 1 . SER 282 282 52495 1 . ASN 283 283 52495 1 . GLU 284 284 52495 1 . LYS 285 285 52495 1 . PHE 286 286 52495 1 . ARG 287 287 52495 1 . GLY 288 288 52495 1 . VAL 289 289 52495 1 . ARG 290 290 52495 1 . LEU 291 291 52495 1 . TYR 292 292 52495 1 . VAL 293 293 52495 1 . SER 294 294 52495 1 . GLU 295 295 52495 1 . ASN 296 296 52495 1 . GLN 297 297 52495 1 . LEU 298 298 52495 1 . LYS 299 299 52495 1 . ILE 300 300 52495 1 . THR 301 301 52495 1 . ALA 302 302 52495 1 . ASN 303 303 52495 1 . ASN 304 304 52495 1 . PRO 305 305 52495 1 . GLU 306 306 52495 1 . GLN 307 307 52495 1 . GLU 308 308 52495 1 . GLU 309 309 52495 1 . ALA 310 310 52495 1 . GLU 311 311 52495 1 . GLU 312 312 52495 1 . ILE 313 313 52495 1 . LEU 314 314 52495 1 . ASP 315 315 52495 1 . VAL 316 316 52495 1 . THR 317 317 52495 1 . TYR 318 318 52495 1 . SER 319 319 52495 1 . GLY 320 320 52495 1 . ALA 321 321 52495 1 . GLU 322 322 52495 1 . MET 323 323 52495 1 . GLU 324 324 52495 1 . ILE 325 325 52495 1 . GLY 326 326 52495 1 . PHE 327 327 52495 1 . ASN 328 328 52495 1 . VAL 329 329 52495 1 . SER 330 330 52495 1 . TYR 331 331 52495 1 . VAL 332 332 52495 1 . LEU 333 333 52495 1 . ASP 334 334 52495 1 . VAL 335 335 52495 1 . LEU 336 336 52495 1 . ASN 337 337 52495 1 . ALA 338 338 52495 1 . LEU 339 339 52495 1 . LYS 340 340 52495 1 . CYS 341 341 52495 1 . GLU 342 342 52495 1 . ASN 343 343 52495 1 . VAL 344 344 52495 1 . ARG 345 345 52495 1 . MET 346 346 52495 1 . MET 347 347 52495 1 . LEU 348 348 52495 1 . THR 349 349 52495 1 . ASP 350 350 52495 1 . SER 351 351 52495 1 . VAL 352 352 52495 1 . SER 353 353 52495 1 . SER 354 354 52495 1 . VAL 355 355 52495 1 . GLN 356 356 52495 1 . ILE 357 357 52495 1 . GLU 358 358 52495 1 . ASP 359 359 52495 1 . ALA 360 360 52495 1 . ALA 361 361 52495 1 . SER 362 362 52495 1 . GLN 363 363 52495 1 . SER 364 364 52495 1 . ALA 365 365 52495 1 . ALA 366 366 52495 1 . TYR 367 367 52495 1 . VAL 368 368 52495 1 . VAL 369 369 52495 1 . MET 370 370 52495 1 . PRO 371 371 52495 1 . MET 372 372 52495 1 . ARG 373 373 52495 1 . LEU 374 374 52495 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52495 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; XEQVELEFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_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 . ACE . 52495 2 2 . GLU . 52495 2 3 . GLN . 52495 2 4 . VAL . 52495 2 5 . GLU . 52495 2 6 . LEU . 52495 2 7 . GLU . 52495 2 8 . PHE . 52495 2 9 . ASP . 52495 2 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 . ACE 1 1 52495 2 . GLU 2 2 52495 2 . GLN 3 3 52495 2 . VAL 4 4 52495 2 . GLU 5 5 52495 2 . LEU 6 6 52495 2 . GLU 7 7 52495 2 . PHE 8 8 52495 2 . ASP 9 9 52495 2 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 52495 _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 . . . . . . . . . . . . . 52495 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 52495 _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 . . . 52495 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 52495 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 52495 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 52495 ACE CC=O SMILES_CANONICAL CACTVS 3.341 52495 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52495 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 52495 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 52495 ACE O=CC SMILES ACDLabs 10.04 52495 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 52495 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52495 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 N N . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 52495 ACE O O O O . O . . N 0 . . . 1 N N . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 52495 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 N N . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 52495 ACE H H H H . H . . N 0 . . . 1 N N . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 52495 ACE H1 H1 H1 1H . H . . N 0 . . . 1 N N . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 52495 ACE H2 H2 H2 2H . H . . N 0 . . . 1 N N . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 52495 ACE H3 H3 H3 3H . H . . N 0 . . . 1 N N . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 52495 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O N N 1 . 52495 ACE 2 . SING C CH3 N N 2 . 52495 ACE 3 . SING C H N N 3 . 52495 ACE 4 . SING CH3 H1 N N 4 . 52495 ACE 5 . SING CH3 H2 N N 5 . 52495 ACE 6 . SING CH3 H3 N N 6 . 52495 ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52495 _Sample.ID 1 _Sample.Name '2H, 13C, 15N b-clamp + pol III peptide' _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 . . 610 . . uM . . . . 52495 1 2 D2O '[U-99.9% 2H]' . . . . . . 5 . . '% v/v' . . . . 52495 1 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 52495 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 52495 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52495 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52495 1 7 'pol III peptide (Ac-EQVELEFD)' 'natural abundance' . . 2 $entity_2 . . 1300 . . uM 100 . . . 52495 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 52495 _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 52495 1 temperature 310 . K 52495 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52495 _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' . 52495 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52495 _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 . 52495 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52495 _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 . 52495 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 52495 _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 52495 _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 . . . . . . . . . . . . . . . . . 52495 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52495 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52495 1 4 '3D 1H-15N TROSY-NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52495 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52495 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 52495 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'b-clamp + pol III 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 . . . . . 52495 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52495 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52495 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 52495 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'b-clamp + pol III 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' . . . 52495 1 2 '3D HNCA' . . . 52495 1 3 '3D HNCO' . . . 52495 1 4 '3D 1H-15N TROSY-NOESY' . . . 52495 1 5 '3D HNCACB' . . . 52495 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 . . 52495 1 2 $software_2 . . 52495 1 3 $software_3 . . 52495 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 13 173.960 0.000 . 1 . . . . . 0 HIS C . 52495 1 2 . 1 . 1 8 8 HIS CA C 13 55.038 0.000 . 1 . . . . . 0 HIS CA . 52495 1 3 . 1 . 1 8 8 HIS CB C 13 30.799 0.000 . 1 . . . . . 0 HIS CB . 52495 1 4 . 1 . 1 9 9 MET H H 1 7.443 0.003 . 1 . . . . . 1 MET H . 52495 1 5 . 1 . 1 9 9 MET CA C 13 56.725 0.012 . 1 . . . . . 1 MET CA . 52495 1 6 . 1 . 1 9 9 MET CB C 13 33.967 0.000 . 1 . . . . . 1 MET CB . 52495 1 7 . 1 . 1 9 9 MET N N 15 119.591 0.007 . 1 . . . . . 1 MET N . 52495 1 8 . 1 . 1 10 10 LYS H H 1 8.419 0.002 . 1 . . . . . 2 LYS H . 52495 1 9 . 1 . 1 10 10 LYS C C 13 175.475 0.000 . 1 . . . . . 2 LYS C . 52495 1 10 . 1 . 1 10 10 LYS CA C 13 55.713 0.048 . 1 . . . . . 2 LYS CA . 52495 1 11 . 1 . 1 10 10 LYS CB C 13 35.584 0.000 . 1 . . . . . 2 LYS CB . 52495 1 12 . 1 . 1 10 10 LYS N N 15 124.646 0.017 . 1 . . . . . 2 LYS N . 52495 1 13 . 1 . 1 11 11 PHE H H 1 8.516 0.005 . 1 . . . . . 3 PHE H . 52495 1 14 . 1 . 1 11 11 PHE C C 13 172.460 0.000 . 1 . . . . . 3 PHE C . 52495 1 15 . 1 . 1 11 11 PHE CA C 13 57.451 0.004 . 1 . . . . . 3 PHE CA . 52495 1 16 . 1 . 1 11 11 PHE CB C 13 40.155 0.039 . 1 . . . . . 3 PHE CB . 52495 1 17 . 1 . 1 11 11 PHE N N 15 116.648 0.026 . 1 . . . . . 3 PHE N . 52495 1 18 . 1 . 1 12 12 THR H H 1 9.028 0.001 . 1 . . . . . 4 THR H . 52495 1 19 . 1 . 1 12 12 THR C C 13 173.535 0.000 . 1 . . . . . 4 THR C . 52495 1 20 . 1 . 1 12 12 THR CA C 13 61.211 0.079 . 1 . . . . . 4 THR CA . 52495 1 21 . 1 . 1 12 12 THR CB C 13 70.940 0.000 . 1 . . . . . 4 THR CB . 52495 1 22 . 1 . 1 12 12 THR N N 15 117.340 0.009 . 1 . . . . . 4 THR N . 52495 1 23 . 1 . 1 13 13 VAL H H 1 9.166 0.006 . 1 . . . . . 5 VAL H . 52495 1 24 . 1 . 1 13 13 VAL CA C 13 59.204 0.002 . 1 . . . . . 5 VAL CA . 52495 1 25 . 1 . 1 13 13 VAL CB C 13 35.361 0.030 . 1 . . . . . 5 VAL CB . 52495 1 26 . 1 . 1 13 13 VAL N N 15 124.171 0.027 . 1 . . . . . 5 VAL N . 52495 1 27 . 1 . 1 14 14 GLU H H 1 8.673 0.002 . 1 . . . . . 6 GLU H . 52495 1 28 . 1 . 1 14 14 GLU C C 13 178.030 0.000 . 1 . . . . . 6 GLU C . 52495 1 29 . 1 . 1 14 14 GLU CA C 13 56.991 0.071 . 1 . . . . . 6 GLU CA . 52495 1 30 . 1 . 1 14 14 GLU CB C 13 29.300 0.014 . 1 . . . . . 6 GLU CB . 52495 1 31 . 1 . 1 14 14 GLU N N 15 125.709 0.017 . 1 . . . . . 6 GLU N . 52495 1 32 . 1 . 1 15 15 ARG H H 1 8.873 0.002 . 1 . . . . . 7 ARG H . 52495 1 33 . 1 . 1 15 15 ARG CA C 13 59.840 0.002 . 1 . . . . . 7 ARG CA . 52495 1 34 . 1 . 1 15 15 ARG CB C 13 30.113 0.000 . 1 . . . . . 7 ARG CB . 52495 1 35 . 1 . 1 15 15 ARG N N 15 124.831 0.002 . 1 . . . . . 7 ARG N . 52495 1 36 . 1 . 1 16 16 GLU H H 1 8.370 0.001 . 1 . . . . . 8 GLU H . 52495 1 37 . 1 . 1 16 16 GLU CA C 13 59.893 0.013 . 1 . . . . . 8 GLU CA . 52495 1 38 . 1 . 1 16 16 GLU N N 15 114.359 0.011 . 1 . . . . . 8 GLU N . 52495 1 39 . 1 . 1 17 17 HIS H H 1 7.480 0.005 . 1 . . . . . 9 HIS H . 52495 1 40 . 1 . 1 17 17 HIS CA C 13 56.335 0.017 . 1 . . . . . 9 HIS CA . 52495 1 41 . 1 . 1 17 17 HIS CB C 13 30.934 0.000 . 1 . . . . . 9 HIS CB . 52495 1 42 . 1 . 1 17 17 HIS N N 15 117.347 0.025 . 1 . . . . . 9 HIS N . 52495 1 43 . 1 . 1 18 18 LEU H H 1 7.319 0.002 . 1 . . . . . 10 LEU H . 52495 1 44 . 1 . 1 18 18 LEU CA C 13 54.378 0.015 . 1 . . . . . 10 LEU CA . 52495 1 45 . 1 . 1 18 18 LEU N N 15 116.100 0.019 . 1 . . . . . 10 LEU N . 52495 1 46 . 1 . 1 19 19 LEU H H 1 7.557 0.003 . 1 . . . . . 11 LEU H . 52495 1 47 . 1 . 1 19 19 LEU C C 13 177.546 0.000 . 1 . . . . . 11 LEU C . 52495 1 48 . 1 . 1 19 19 LEU CA C 13 59.510 0.071 . 1 . . . . . 11 LEU CA . 52495 1 49 . 1 . 1 19 19 LEU CB C 13 41.005 0.041 . 1 . . . . . 11 LEU CB . 52495 1 50 . 1 . 1 19 19 LEU N N 15 118.649 0.017 . 1 . . . . . 11 LEU N . 52495 1 51 . 1 . 1 20 20 LYS H H 1 8.400 0.003 . 1 . . . . . 12 LYS H . 52495 1 52 . 1 . 1 20 20 LYS CA C 13 60.392 0.091 . 1 . . . . . 12 LYS CA . 52495 1 53 . 1 . 1 20 20 LYS CB C 13 28.282 0.000 . 1 . . . . . 12 LYS CB . 52495 1 54 . 1 . 1 20 20 LYS N N 15 117.712 0.015 . 1 . . . . . 12 LYS N . 52495 1 55 . 1 . 1 21 21 PRO CA C 13 66.261 0.070 . 1 . . . . . 13 PRO CA . 52495 1 56 . 1 . 1 22 22 LEU H H 1 7.885 0.002 . 1 . . . . . 14 LEU H . 52495 1 57 . 1 . 1 22 22 LEU CA C 13 57.178 0.068 . 1 . . . . . 14 LEU CA . 52495 1 58 . 1 . 1 22 22 LEU CB C 13 41.796 0.000 . 1 . . . . . 14 LEU CB . 52495 1 59 . 1 . 1 22 22 LEU N N 15 115.549 0.022 . 1 . . . . . 14 LEU N . 52495 1 60 . 1 . 1 23 23 GLN H H 1 8.357 0.003 . 1 . . . . . 15 GLN H . 52495 1 61 . 1 . 1 23 23 GLN CA C 13 58.470 0.038 . 1 . . . . . 15 GLN CA . 52495 1 62 . 1 . 1 23 23 GLN CB C 13 27.730 0.000 . 1 . . . . . 15 GLN CB . 52495 1 63 . 1 . 1 23 23 GLN N N 15 122.755 0.032 . 1 . . . . . 15 GLN N . 52495 1 64 . 1 . 1 24 24 GLN H H 1 8.046 0.002 . 1 . . . . . 16 GLN H . 52495 1 65 . 1 . 1 24 24 GLN C C 13 178.827 0.000 . 1 . . . . . 16 GLN C . 52495 1 66 . 1 . 1 24 24 GLN CA C 13 57.952 0.002 . 1 . . . . . 16 GLN CA . 52495 1 67 . 1 . 1 24 24 GLN N N 15 118.445 0.017 . 1 . . . . . 16 GLN N . 52495 1 68 . 1 . 1 25 25 VAL H H 1 7.982 0.004 . 1 . . . . . 17 VAL H . 52495 1 69 . 1 . 1 25 25 VAL CA C 13 63.784 0.060 . 1 . . . . . 17 VAL CA . 52495 1 70 . 1 . 1 25 25 VAL CB C 13 30.649 0.000 . 1 . . . . . 17 VAL CB . 52495 1 71 . 1 . 1 25 25 VAL N N 15 112.573 0.031 . 1 . . . . . 17 VAL N . 52495 1 72 . 1 . 1 26 26 SER H H 1 7.329 0.005 . 1 . . . . . 18 SER H . 52495 1 73 . 1 . 1 26 26 SER C C 13 176.343 0.000 . 1 . . . . . 18 SER C . 52495 1 74 . 1 . 1 26 26 SER CA C 13 59.699 0.081 . 1 . . . . . 18 SER CA . 52495 1 75 . 1 . 1 26 26 SER CB C 13 63.451 0.014 . 1 . . . . . 18 SER CB . 52495 1 76 . 1 . 1 26 26 SER N N 15 110.040 0.015 . 1 . . . . . 18 SER N . 52495 1 77 . 1 . 1 27 27 GLY H H 1 7.369 0.003 . 1 . . . . . 19 GLY H . 52495 1 78 . 1 . 1 27 27 GLY CA C 13 47.916 0.000 . 1 . . . . . 19 GLY CA . 52495 1 79 . 1 . 1 27 27 GLY N N 15 111.809 0.039 . 1 . . . . . 19 GLY N . 52495 1 80 . 1 . 1 36 36 PRO C C 13 179.439 0.000 . 1 . . . . . 28 PRO C . 52495 1 81 . 1 . 1 36 36 PRO CA C 13 65.599 0.000 . 1 . . . . . 28 PRO CA . 52495 1 82 . 1 . 1 37 37 ILE H H 1 8.186 0.002 . 1 . . . . . 29 ILE H . 52495 1 83 . 1 . 1 37 37 ILE CA C 13 62.771 0.075 . 1 . . . . . 29 ILE CA . 52495 1 84 . 1 . 1 37 37 ILE CB C 13 37.363 0.000 . 1 . . . . . 29 ILE CB . 52495 1 85 . 1 . 1 37 37 ILE N N 15 116.603 0.026 . 1 . . . . . 29 ILE N . 52495 1 86 . 1 . 1 38 38 LEU H H 1 7.420 0.002 . 1 . . . . . 30 LEU H . 52495 1 87 . 1 . 1 38 38 LEU CA C 13 55.269 0.077 . 1 . . . . . 30 LEU CA . 52495 1 88 . 1 . 1 38 38 LEU CB C 13 39.137 0.000 . 1 . . . . . 30 LEU CB . 52495 1 89 . 1 . 1 38 38 LEU N N 15 117.185 0.020 . 1 . . . . . 30 LEU N . 52495 1 90 . 1 . 1 39 39 GLY H H 1 7.749 0.004 . 1 . . . . . 31 GLY H . 52495 1 91 . 1 . 1 39 39 GLY C C 13 172.995 0.000 . 1 . . . . . 31 GLY C . 52495 1 92 . 1 . 1 39 39 GLY CA C 13 44.518 0.011 . 1 . . . . . 31 GLY CA . 52495 1 93 . 1 . 1 39 39 GLY N N 15 104.827 0.008 . 1 . . . . . 31 GLY N . 52495 1 94 . 1 . 1 40 40 ASN H H 1 8.100 0.002 . 1 . . . . . 32 ASN H . 52495 1 95 . 1 . 1 40 40 ASN CA C 13 50.782 0.075 . 1 . . . . . 32 ASN CA . 52495 1 96 . 1 . 1 40 40 ASN CB C 13 38.608 0.004 . 1 . . . . . 32 ASN CB . 52495 1 97 . 1 . 1 40 40 ASN N N 15 122.808 0.001 . 1 . . . . . 32 ASN N . 52495 1 98 . 1 . 1 41 41 LEU H H 1 8.770 0.005 . 1 . . . . . 33 LEU H . 52495 1 99 . 1 . 1 41 41 LEU CA C 13 51.917 0.074 . 1 . . . . . 33 LEU CA . 52495 1 100 . 1 . 1 41 41 LEU CB C 13 43.675 0.019 . 1 . . . . . 33 LEU CB . 52495 1 101 . 1 . 1 41 41 LEU N N 15 115.034 0.025 . 1 . . . . . 33 LEU N . 52495 1 102 . 1 . 1 42 42 LEU H H 1 8.376 0.002 . 1 . . . . . 34 LEU H . 52495 1 103 . 1 . 1 42 42 LEU C C 13 175.366 0.000 . 1 . . . . . 34 LEU C . 52495 1 104 . 1 . 1 42 42 LEU CA C 13 53.983 0.070 . 1 . . . . . 34 LEU CA . 52495 1 105 . 1 . 1 42 42 LEU CB C 13 40.129 0.001 . 1 . . . . . 34 LEU CB . 52495 1 106 . 1 . 1 42 42 LEU N N 15 124.173 0.002 . 1 . . . . . 34 LEU N . 52495 1 107 . 1 . 1 43 43 LEU H H 1 8.996 0.002 . 1 . . . . . 35 LEU H . 52495 1 108 . 1 . 1 43 43 LEU C C 13 175.049 0.000 . 1 . . . . . 35 LEU C . 52495 1 109 . 1 . 1 43 43 LEU CA C 13 53.237 0.002 . 1 . . . . . 35 LEU CA . 52495 1 110 . 1 . 1 43 43 LEU CB C 13 43.231 0.048 . 1 . . . . . 35 LEU CB . 52495 1 111 . 1 . 1 43 43 LEU N N 15 131.058 0.018 . 1 . . . . . 35 LEU N . 52495 1 112 . 1 . 1 44 44 GLN H H 1 8.480 0.003 . 1 . . . . . 36 GLN H . 52495 1 113 . 1 . 1 44 44 GLN CA C 13 53.967 0.074 . 1 . . . . . 36 GLN CA . 52495 1 114 . 1 . 1 44 44 GLN CB C 13 32.403 0.000 . 1 . . . . . 36 GLN CB . 52495 1 115 . 1 . 1 44 44 GLN N N 15 118.897 0.016 . 1 . . . . . 36 GLN N . 52495 1 116 . 1 . 1 45 45 VAL H H 1 9.034 0.003 . 1 . . . . . 37 VAL H . 52495 1 117 . 1 . 1 45 45 VAL CA C 13 60.887 0.037 . 1 . . . . . 37 VAL CA . 52495 1 118 . 1 . 1 45 45 VAL CB C 13 32.599 0.000 . 1 . . . . . 37 VAL CB . 52495 1 119 . 1 . 1 45 45 VAL N N 15 126.329 0.039 . 1 . . . . . 37 VAL N . 52495 1 120 . 1 . 1 46 46 ALA H H 1 8.554 0.002 . 1 . . . . . 38 ALA H . 52495 1 121 . 1 . 1 46 46 ALA CA C 13 51.738 0.000 . 1 . . . . . 38 ALA CA . 52495 1 122 . 1 . 1 46 46 ALA CB C 13 20.590 0.000 . 1 . . . . . 38 ALA CB . 52495 1 123 . 1 . 1 46 46 ALA N N 15 129.235 0.031 . 1 . . . . . 38 ALA N . 52495 1 124 . 1 . 1 48 48 GLY H H 1 9.675 0.002 . 1 . . . . . 40 GLY H . 52495 1 125 . 1 . 1 48 48 GLY C C 13 174.388 0.000 . 1 . . . . . 40 GLY C . 52495 1 126 . 1 . 1 48 48 GLY CA C 13 45.628 0.046 . 1 . . . . . 40 GLY CA . 52495 1 127 . 1 . 1 48 48 GLY N N 15 110.491 0.021 . 1 . . . . . 40 GLY N . 52495 1 128 . 1 . 1 49 49 THR H H 1 7.742 0.003 . 1 . . . . . 41 THR H . 52495 1 129 . 1 . 1 49 49 THR C C 13 171.544 0.000 . 1 . . . . . 41 THR C . 52495 1 130 . 1 . 1 49 49 THR CA C 13 61.420 0.013 . 1 . . . . . 41 THR CA . 52495 1 131 . 1 . 1 49 49 THR CB C 13 72.111 0.010 . 1 . . . . . 41 THR CB . 52495 1 132 . 1 . 1 49 49 THR N N 15 115.951 0.031 . 1 . . . . . 41 THR N . 52495 1 133 . 1 . 1 50 50 LEU H H 1 8.998 0.004 . 1 . . . . . 42 LEU H . 52495 1 134 . 1 . 1 50 50 LEU C C 13 174.376 0.000 . 1 . . . . . 42 LEU C . 52495 1 135 . 1 . 1 50 50 LEU CA C 13 52.484 0.012 . 1 . . . . . 42 LEU CA . 52495 1 136 . 1 . 1 50 50 LEU CB C 13 43.026 0.077 . 1 . . . . . 42 LEU CB . 52495 1 137 . 1 . 1 50 50 LEU N N 15 129.052 0.030 . 1 . . . . . 42 LEU N . 52495 1 138 . 1 . 1 51 51 SER H H 1 9.344 0.002 . 1 . . . . . 43 SER H . 52495 1 139 . 1 . 1 51 51 SER CA C 13 56.245 0.006 . 1 . . . . . 43 SER CA . 52495 1 140 . 1 . 1 51 51 SER CB C 13 64.513 0.021 . 1 . . . . . 43 SER CB . 52495 1 141 . 1 . 1 51 51 SER N N 15 122.572 0.019 . 1 . . . . . 43 SER N . 52495 1 142 . 1 . 1 52 52 LEU H H 1 8.965 0.003 . 1 . . . . . 44 LEU H . 52495 1 143 . 1 . 1 52 52 LEU CA C 13 53.287 0.003 . 1 . . . . . 44 LEU CA . 52495 1 144 . 1 . 1 52 52 LEU CB C 13 44.575 0.030 . 1 . . . . . 44 LEU CB . 52495 1 145 . 1 . 1 52 52 LEU N N 15 125.112 0.018 . 1 . . . . . 44 LEU N . 52495 1 146 . 1 . 1 53 53 THR H H 1 8.610 0.003 . 1 . . . . . 45 THR H . 52495 1 147 . 1 . 1 53 53 THR C C 13 173.179 0.000 . 1 . . . . . 45 THR C . 52495 1 148 . 1 . 1 53 53 THR CA C 13 61.551 0.075 . 1 . . . . . 45 THR CA . 52495 1 149 . 1 . 1 53 53 THR CB C 13 70.846 0.000 . 1 . . . . . 45 THR CB . 52495 1 150 . 1 . 1 53 53 THR N N 15 117.720 0.016 . 1 . . . . . 45 THR N . 52495 1 151 . 1 . 1 54 54 GLY H H 1 9.018 0.003 . 1 . . . . . 46 GLY H . 52495 1 152 . 1 . 1 54 54 GLY C C 13 172.037 0.000 . 1 . . . . . 46 GLY C . 52495 1 153 . 1 . 1 54 54 GLY CA C 13 43.590 0.003 . 1 . . . . . 46 GLY CA . 52495 1 154 . 1 . 1 54 54 GLY N N 15 112.557 0.031 . 1 . . . . . 46 GLY N . 52495 1 155 . 1 . 1 55 55 THR H H 1 9.789 0.004 . 1 . . . . . 47 THR H . 52495 1 156 . 1 . 1 55 55 THR CA C 13 59.431 0.069 . 1 . . . . . 47 THR CA . 52495 1 157 . 1 . 1 55 55 THR CB C 13 71.243 0.000 . 1 . . . . . 47 THR CB . 52495 1 158 . 1 . 1 55 55 THR N N 15 118.118 0.010 . 1 . . . . . 47 THR N . 52495 1 159 . 1 . 1 56 56 ASP H H 1 7.793 0.012 . 1 . . . . . 48 ASP H . 52495 1 160 . 1 . 1 56 56 ASP CA C 13 52.787 0.022 . 1 . . . . . 48 ASP CA . 52495 1 161 . 1 . 1 56 56 ASP N N 15 123.596 0.017 . 1 . . . . . 48 ASP N . 52495 1 162 . 1 . 1 57 57 LEU H H 1 8.716 0.007 . 1 . . . . . 49 LEU H . 52495 1 163 . 1 . 1 57 57 LEU CA C 13 58.960 0.056 . 1 . . . . . 49 LEU CA . 52495 1 164 . 1 . 1 57 57 LEU N N 15 113.548 0.032 . 1 . . . . . 49 LEU N . 52495 1 165 . 1 . 1 58 58 GLU H H 1 8.626 0.009 . 1 . . . . . 50 GLU H . 52495 1 166 . 1 . 1 58 58 GLU CA C 13 57.563 0.009 . 1 . . . . . 50 GLU CA . 52495 1 167 . 1 . 1 58 58 GLU N N 15 121.496 0.009 . 1 . . . . . 50 GLU N . 52495 1 168 . 1 . 1 59 59 MET H H 1 9.164 0.007 . 1 . . . . . 51 MET H . 52495 1 169 . 1 . 1 59 59 MET C C 13 174.775 0.000 . 1 . . . . . 51 MET C . 52495 1 170 . 1 . 1 59 59 MET CA C 13 53.350 0.042 . 1 . . . . . 51 MET CA . 52495 1 171 . 1 . 1 59 59 MET CB C 13 34.417 0.000 . 1 . . . . . 51 MET CB . 52495 1 172 . 1 . 1 59 59 MET N N 15 117.799 0.022 . 1 . . . . . 51 MET N . 52495 1 173 . 1 . 1 60 60 GLU H H 1 9.222 0.003 . 1 . . . . . 52 GLU H . 52495 1 174 . 1 . 1 60 60 GLU C C 13 173.647 0.000 . 1 . . . . . 52 GLU C . 52495 1 175 . 1 . 1 60 60 GLU CA C 13 54.743 0.070 . 1 . . . . . 52 GLU CA . 52495 1 176 . 1 . 1 60 60 GLU CB C 13 34.132 0.017 . 1 . . . . . 52 GLU CB . 52495 1 177 . 1 . 1 60 60 GLU N N 15 123.800 0.028 . 1 . . . . . 52 GLU N . 52495 1 178 . 1 . 1 61 61 MET H H 1 9.151 0.002 . 1 . . . . . 53 MET H . 52495 1 179 . 1 . 1 61 61 MET CA C 13 53.816 0.068 . 1 . . . . . 53 MET CA . 52495 1 180 . 1 . 1 61 61 MET CB C 13 34.685 0.000 . 1 . . . . . 53 MET CB . 52495 1 181 . 1 . 1 61 61 MET N N 15 125.918 0.011 . 1 . . . . . 53 MET N . 52495 1 182 . 1 . 1 62 62 VAL H H 1 8.958 0.006 . 1 . . . . . 54 VAL H . 52495 1 183 . 1 . 1 62 62 VAL C C 13 175.194 0.000 . 1 . . . . . 54 VAL C . 52495 1 184 . 1 . 1 62 62 VAL CA C 13 59.822 0.001 . 1 . . . . . 54 VAL CA . 52495 1 185 . 1 . 1 62 62 VAL CB C 13 34.588 0.000 . 1 . . . . . 54 VAL CB . 52495 1 186 . 1 . 1 62 62 VAL N N 15 125.307 0.040 . 1 . . . . . 54 VAL N . 52495 1 187 . 1 . 1 63 63 ALA H H 1 9.181 0.004 . 1 . . . . . 55 ALA H . 52495 1 188 . 1 . 1 63 63 ALA C C 13 175.821 0.000 . 1 . . . . . 55 ALA C . 52495 1 189 . 1 . 1 63 63 ALA CA C 13 49.607 0.006 . 1 . . . . . 55 ALA CA . 52495 1 190 . 1 . 1 63 63 ALA CB C 13 23.625 0.009 . 1 . . . . . 55 ALA CB . 52495 1 191 . 1 . 1 63 63 ALA N N 15 127.479 0.018 . 1 . . . . . 55 ALA N . 52495 1 192 . 1 . 1 64 64 ARG H H 1 7.722 0.003 . 1 . . . . . 56 ARG H . 52495 1 193 . 1 . 1 64 64 ARG CA C 13 54.569 0.073 . 1 . . . . . 56 ARG CA . 52495 1 194 . 1 . 1 64 64 ARG CB C 13 32.086 0.000 . 1 . . . . . 56 ARG CB . 52495 1 195 . 1 . 1 64 64 ARG N N 15 119.339 0.021 . 1 . . . . . 56 ARG N . 52495 1 196 . 1 . 1 65 65 VAL H H 1 9.165 0.003 . 1 . . . . . 57 VAL H . 52495 1 197 . 1 . 1 65 65 VAL C C 13 174.320 0.000 . 1 . . . . . 57 VAL C . 52495 1 198 . 1 . 1 65 65 VAL CA C 13 60.328 0.006 . 1 . . . . . 57 VAL CA . 52495 1 199 . 1 . 1 65 65 VAL CB C 13 34.530 0.018 . 1 . . . . . 57 VAL CB . 52495 1 200 . 1 . 1 65 65 VAL N N 15 123.481 0.011 . 1 . . . . . 57 VAL N . 52495 1 201 . 1 . 1 66 66 ALA H H 1 8.462 0.003 . 1 . . . . . 58 ALA H . 52495 1 202 . 1 . 1 66 66 ALA C C 13 177.085 0.000 . 1 . . . . . 58 ALA C . 52495 1 203 . 1 . 1 66 66 ALA CA C 13 52.350 0.001 . 1 . . . . . 58 ALA CA . 52495 1 204 . 1 . 1 66 66 ALA CB C 13 17.968 0.010 . 1 . . . . . 58 ALA CB . 52495 1 205 . 1 . 1 66 66 ALA N N 15 130.011 0.009 . 1 . . . . . 58 ALA N . 52495 1 206 . 1 . 1 67 67 LEU H H 1 7.852 0.002 . 1 . . . . . 59 LEU H . 52495 1 207 . 1 . 1 67 67 LEU C C 13 176.429 0.000 . 1 . . . . . 59 LEU C . 52495 1 208 . 1 . 1 67 67 LEU CA C 13 52.943 0.076 . 1 . . . . . 59 LEU CA . 52495 1 209 . 1 . 1 67 67 LEU CB C 13 41.741 0.000 . 1 . . . . . 59 LEU CB . 52495 1 210 . 1 . 1 67 67 LEU N N 15 121.387 0.019 . 1 . . . . . 59 LEU N . 52495 1 211 . 1 . 1 68 68 VAL H H 1 8.124 0.003 . 1 . . . . . 60 VAL H . 52495 1 212 . 1 . 1 68 68 VAL C C 13 176.734 0.000 . 1 . . . . . 60 VAL C . 52495 1 213 . 1 . 1 68 68 VAL CA C 13 61.903 0.075 . 1 . . . . . 60 VAL CA . 52495 1 214 . 1 . 1 68 68 VAL N N 15 118.411 0.014 . 1 . . . . . 60 VAL N . 52495 1 215 . 1 . 1 69 69 GLN H H 1 8.092 0.004 . 1 . . . . . 61 GLN H . 52495 1 216 . 1 . 1 69 69 GLN CA C 13 54.343 0.000 . 1 . . . . . 61 GLN CA . 52495 1 217 . 1 . 1 69 69 GLN CB C 13 26.893 0.000 . 1 . . . . . 61 GLN CB . 52495 1 218 . 1 . 1 69 69 GLN N N 15 120.869 0.043 . 1 . . . . . 61 GLN N . 52495 1 219 . 1 . 1 70 70 PRO C C 13 175.162 0.000 . 1 . . . . . 62 PRO C . 52495 1 220 . 1 . 1 70 70 PRO CA C 13 64.064 0.000 . 1 . . . . . 62 PRO CA . 52495 1 221 . 1 . 1 71 71 HIS H H 1 8.025 0.004 . 1 . . . . . 63 HIS H . 52495 1 222 . 1 . 1 71 71 HIS C C 13 172.982 0.000 . 1 . . . . . 63 HIS C . 52495 1 223 . 1 . 1 71 71 HIS CA C 13 54.650 0.066 . 1 . . . . . 63 HIS CA . 52495 1 224 . 1 . 1 71 71 HIS CB C 13 30.949 0.000 . 1 . . . . . 63 HIS CB . 52495 1 225 . 1 . 1 71 71 HIS N N 15 120.446 0.029 . 1 . . . . . 63 HIS N . 52495 1 226 . 1 . 1 72 72 GLU H H 1 9.204 0.002 . 1 . . . . . 64 GLU H . 52495 1 227 . 1 . 1 72 72 GLU CA C 13 52.461 0.000 . 1 . . . . . 64 GLU CA . 52495 1 228 . 1 . 1 72 72 GLU CB C 13 31.485 0.000 . 1 . . . . . 64 GLU CB . 52495 1 229 . 1 . 1 72 72 GLU N N 15 120.803 0.007 . 1 . . . . . 64 GLU N . 52495 1 230 . 1 . 1 73 73 PRO CA C 13 61.977 0.000 . 1 . . . . . 65 PRO CA . 52495 1 231 . 1 . 1 74 74 GLY H H 1 7.912 0.003 . 1 . . . . . 66 GLY H . 52495 1 232 . 1 . 1 74 74 GLY C C 13 170.966 0.000 . 1 . . . . . 66 GLY C . 52495 1 233 . 1 . 1 74 74 GLY CA C 13 44.623 0.003 . 1 . . . . . 66 GLY CA . 52495 1 234 . 1 . 1 74 74 GLY N N 15 103.985 0.055 . 1 . . . . . 66 GLY N . 52495 1 235 . 1 . 1 75 75 ALA H H 1 8.169 0.001 . 1 . . . . . 67 ALA H . 52495 1 236 . 1 . 1 75 75 ALA C C 13 176.570 0.000 . 1 . . . . . 67 ALA C . 52495 1 237 . 1 . 1 75 75 ALA CA C 13 51.485 0.012 . 1 . . . . . 67 ALA CA . 52495 1 238 . 1 . 1 75 75 ALA CB C 13 22.159 0.009 . 1 . . . . . 67 ALA CB . 52495 1 239 . 1 . 1 75 75 ALA N N 15 120.887 0.026 . 1 . . . . . 67 ALA N . 52495 1 240 . 1 . 1 76 76 THR H H 1 8.759 0.003 . 1 . . . . . 68 THR H . 52495 1 241 . 1 . 1 76 76 THR CA C 13 61.170 0.008 . 1 . . . . . 68 THR CA . 52495 1 242 . 1 . 1 76 76 THR CB C 13 66.874 0.000 . 1 . . . . . 68 THR CB . 52495 1 243 . 1 . 1 76 76 THR N N 15 115.034 0.022 . 1 . . . . . 68 THR N . 52495 1 244 . 1 . 1 77 77 THR H H 1 8.367 0.003 . 1 . . . . . 69 THR H . 52495 1 245 . 1 . 1 77 77 THR CA C 13 59.744 0.004 . 1 . . . . . 69 THR CA . 52495 1 246 . 1 . 1 77 77 THR CB C 13 70.203 0.068 . 1 . . . . . 69 THR CB . 52495 1 247 . 1 . 1 77 77 THR N N 15 114.349 0.038 . 1 . . . . . 69 THR N . 52495 1 248 . 1 . 1 78 78 VAL H H 1 8.261 0.001 . 1 . . . . . 70 VAL H . 52495 1 249 . 1 . 1 78 78 VAL CA C 13 56.542 0.000 . 1 . . . . . 70 VAL CA . 52495 1 250 . 1 . 1 78 78 VAL CB C 13 34.954 0.000 . 1 . . . . . 70 VAL CB . 52495 1 251 . 1 . 1 78 78 VAL N N 15 115.886 0.014 . 1 . . . . . 70 VAL N . 52495 1 252 . 1 . 1 79 79 PRO CA C 13 63.070 0.000 . 1 . . . . . 71 PRO CA . 52495 1 253 . 1 . 1 79 79 PRO CB C 13 31.993 0.000 . 1 . . . . . 71 PRO CB . 52495 1 254 . 1 . 1 80 80 ALA H H 1 8.544 0.003 . 1 . . . . . 72 ALA H . 52495 1 255 . 1 . 1 80 80 ALA C C 13 179.084 0.000 . 1 . . . . . 72 ALA C . 52495 1 256 . 1 . 1 80 80 ALA CA C 13 56.227 0.080 . 1 . . . . . 72 ALA CA . 52495 1 257 . 1 . 1 80 80 ALA N N 15 129.132 0.012 . 1 . . . . . 72 ALA N . 52495 1 258 . 1 . 1 81 81 ARG H H 1 8.445 0.005 . 1 . . . . . 73 ARG H . 52495 1 259 . 1 . 1 81 81 ARG C C 13 178.736 0.000 . 1 . . . . . 73 ARG C . 52495 1 260 . 1 . 1 81 81 ARG CA C 13 58.467 0.060 . 1 . . . . . 73 ARG CA . 52495 1 261 . 1 . 1 81 81 ARG CB C 13 27.806 0.000 . 1 . . . . . 73 ARG CB . 52495 1 262 . 1 . 1 81 81 ARG N N 15 117.463 0.028 . 1 . . . . . 73 ARG N . 52495 1 263 . 1 . 1 82 82 LYS H H 1 7.576 0.003 . 1 . . . . . 74 LYS H . 52495 1 264 . 1 . 1 82 82 LYS C C 13 177.782 0.000 . 1 . . . . . 74 LYS C . 52495 1 265 . 1 . 1 82 82 LYS CA C 13 59.539 0.060 . 1 . . . . . 74 LYS CA . 52495 1 266 . 1 . 1 82 82 LYS CB C 13 32.784 0.000 . 1 . . . . . 74 LYS CB . 52495 1 267 . 1 . 1 82 82 LYS N N 15 116.891 0.028 . 1 . . . . . 74 LYS N . 52495 1 268 . 1 . 1 83 83 PHE H H 1 7.699 0.002 . 1 . . . . . 75 PHE H . 52495 1 269 . 1 . 1 83 83 PHE CA C 13 59.494 0.061 . 1 . . . . . 75 PHE CA . 52495 1 270 . 1 . 1 83 83 PHE CB C 13 38.551 0.023 . 1 . . . . . 75 PHE CB . 52495 1 271 . 1 . 1 83 83 PHE N N 15 116.407 0.025 . 1 . . . . . 75 PHE N . 52495 1 272 . 1 . 1 84 84 PHE H H 1 8.434 0.002 . 1 . . . . . 76 PHE H . 52495 1 273 . 1 . 1 84 84 PHE CA C 13 59.518 0.008 . 1 . . . . . 76 PHE CA . 52495 1 274 . 1 . 1 84 84 PHE CB C 13 37.753 0.008 . 1 . . . . . 76 PHE CB . 52495 1 275 . 1 . 1 84 84 PHE N N 15 118.733 0.022 . 1 . . . . . 76 PHE N . 52495 1 276 . 1 . 1 85 85 ASP H H 1 8.812 0.004 . 1 . . . . . 77 ASP H . 52495 1 277 . 1 . 1 85 85 ASP CA C 13 57.390 0.065 . 1 . . . . . 77 ASP CA . 52495 1 278 . 1 . 1 85 85 ASP CB C 13 39.042 0.015 . 1 . . . . . 77 ASP CB . 52495 1 279 . 1 . 1 85 85 ASP N N 15 119.968 0.023 . 1 . . . . . 77 ASP N . 52495 1 280 . 1 . 1 86 86 ILE H H 1 7.961 0.007 . 1 . . . . . 78 ILE H . 52495 1 281 . 1 . 1 86 86 ILE CA C 13 65.253 0.065 . 1 . . . . . 78 ILE CA . 52495 1 282 . 1 . 1 86 86 ILE CB C 13 36.952 0.000 . 1 . . . . . 78 ILE CB . 52495 1 283 . 1 . 1 86 86 ILE N N 15 122.181 0.031 . 1 . . . . . 78 ILE N . 52495 1 284 . 1 . 1 87 87 CYS H H 1 7.264 0.006 . 1 . . . . . 79 CYS H . 52495 1 285 . 1 . 1 87 87 CYS C C 13 177.245 0.000 . 1 . . . . . 79 CYS C . 52495 1 286 . 1 . 1 87 87 CYS CA C 13 63.571 0.076 . 1 . . . . . 79 CYS CA . 52495 1 287 . 1 . 1 87 87 CYS CB C 13 25.965 0.002 . 1 . . . . . 79 CYS CB . 52495 1 288 . 1 . 1 87 87 CYS N N 15 115.526 0.016 . 1 . . . . . 79 CYS N . 52495 1 289 . 1 . 1 88 88 ARG H H 1 8.531 0.004 . 1 . . . . . 80 ARG H . 52495 1 290 . 1 . 1 88 88 ARG C C 13 177.633 0.000 . 1 . . . . . 80 ARG C . 52495 1 291 . 1 . 1 88 88 ARG CA C 13 57.908 0.033 . 1 . . . . . 80 ARG CA . 52495 1 292 . 1 . 1 88 88 ARG CB C 13 28.670 0.003 . 1 . . . . . 80 ARG CB . 52495 1 293 . 1 . 1 88 88 ARG N N 15 116.837 0.020 . 1 . . . . . 80 ARG N . 52495 1 294 . 1 . 1 89 89 GLY H H 1 7.544 0.005 . 1 . . . . . 81 GLY H . 52495 1 295 . 1 . 1 89 89 GLY C C 13 174.992 0.000 . 1 . . . . . 81 GLY C . 52495 1 296 . 1 . 1 89 89 GLY CA C 13 44.688 0.003 . 1 . . . . . 81 GLY CA . 52495 1 297 . 1 . 1 89 89 GLY N N 15 105.845 0.020 . 1 . . . . . 81 GLY N . 52495 1 298 . 1 . 1 90 90 LEU H H 1 6.951 0.002 . 1 . . . . . 82 LEU H . 52495 1 299 . 1 . 1 90 90 LEU CA C 13 53.694 0.070 . 1 . . . . . 82 LEU CA . 52495 1 300 . 1 . 1 90 90 LEU CB C 13 39.782 0.000 . 1 . . . . . 82 LEU CB . 52495 1 301 . 1 . 1 90 90 LEU N N 15 125.398 0.016 . 1 . . . . . 82 LEU N . 52495 1 302 . 1 . 1 91 91 PRO C C 13 175.481 0.000 . 1 . . . . . 83 PRO C . 52495 1 303 . 1 . 1 91 91 PRO CA C 13 62.128 0.000 . 1 . . . . . 83 PRO CA . 52495 1 304 . 1 . 1 91 91 PRO CB C 13 31.446 0.000 . 1 . . . . . 83 PRO CB . 52495 1 305 . 1 . 1 92 92 GLU H H 1 8.007 0.001 . 1 . . . . . 84 GLU H . 52495 1 306 . 1 . 1 92 92 GLU C C 13 178.766 0.000 . 1 . . . . . 84 GLU C . 52495 1 307 . 1 . 1 92 92 GLU CA C 13 57.255 0.036 . 1 . . . . . 84 GLU CA . 52495 1 308 . 1 . 1 92 92 GLU CB C 13 28.644 0.002 . 1 . . . . . 84 GLU CB . 52495 1 309 . 1 . 1 92 92 GLU N N 15 118.747 0.009 . 1 . . . . . 84 GLU N . 52495 1 310 . 1 . 1 93 93 GLY H H 1 10.071 0.005 . 1 . . . . . 85 GLY H . 52495 1 311 . 1 . 1 93 93 GLY C C 13 174.823 0.000 . 1 . . . . . 85 GLY C . 52495 1 312 . 1 . 1 93 93 GLY CA C 13 44.595 0.001 . 1 . . . . . 85 GLY CA . 52495 1 313 . 1 . 1 93 93 GLY N N 15 116.298 0.020 . 1 . . . . . 85 GLY N . 52495 1 314 . 1 . 1 94 94 ALA H H 1 7.740 0.003 . 1 . . . . . 86 ALA H . 52495 1 315 . 1 . 1 94 94 ALA C C 13 176.825 0.000 . 1 . . . . . 86 ALA C . 52495 1 316 . 1 . 1 94 94 ALA CA C 13 52.503 0.004 . 1 . . . . . 86 ALA CA . 52495 1 317 . 1 . 1 94 94 ALA CB C 13 19.161 0.010 . 1 . . . . . 86 ALA CB . 52495 1 318 . 1 . 1 94 94 ALA N N 15 122.407 0.018 . 1 . . . . . 86 ALA N . 52495 1 319 . 1 . 1 95 95 GLU H H 1 8.704 0.002 . 1 . . . . . 87 GLU H . 52495 1 320 . 1 . 1 95 95 GLU C C 13 175.991 0.000 . 1 . . . . . 87 GLU C . 52495 1 321 . 1 . 1 95 95 GLU CA C 13 55.791 0.004 . 1 . . . . . 87 GLU CA . 52495 1 322 . 1 . 1 95 95 GLU CB C 13 30.336 0.017 . 1 . . . . . 87 GLU CB . 52495 1 323 . 1 . 1 95 95 GLU N N 15 121.971 0.012 . 1 . . . . . 87 GLU N . 52495 1 324 . 1 . 1 96 96 ILE H H 1 9.122 0.004 . 1 . . . . . 88 ILE H . 52495 1 325 . 1 . 1 96 96 ILE C C 13 172.977 0.000 . 1 . . . . . 88 ILE C . 52495 1 326 . 1 . 1 96 96 ILE CA C 13 61.283 0.002 . 1 . . . . . 88 ILE CA . 52495 1 327 . 1 . 1 96 96 ILE CB C 13 37.914 0.060 . 1 . . . . . 88 ILE CB . 52495 1 328 . 1 . 1 96 96 ILE N N 15 128.712 0.029 . 1 . . . . . 88 ILE N . 52495 1 329 . 1 . 1 97 97 ALA H H 1 8.832 0.004 . 1 . . . . . 89 ALA H . 52495 1 330 . 1 . 1 97 97 ALA C C 13 176.521 0.000 . 1 . . . . . 89 ALA C . 52495 1 331 . 1 . 1 97 97 ALA CA C 13 50.481 0.002 . 1 . . . . . 89 ALA CA . 52495 1 332 . 1 . 1 97 97 ALA CB C 13 19.896 0.022 . 1 . . . . . 89 ALA CB . 52495 1 333 . 1 . 1 97 97 ALA N N 15 130.540 0.013 . 1 . . . . . 89 ALA N . 52495 1 334 . 1 . 1 98 98 VAL H H 1 8.799 0.002 . 1 . . . . . 90 VAL H . 52495 1 335 . 1 . 1 98 98 VAL C C 13 175.365 0.000 . 1 . . . . . 90 VAL C . 52495 1 336 . 1 . 1 98 98 VAL CA C 13 59.910 0.065 . 1 . . . . . 90 VAL CA . 52495 1 337 . 1 . 1 98 98 VAL CB C 13 32.651 0.020 . 1 . . . . . 90 VAL CB . 52495 1 338 . 1 . 1 98 98 VAL N N 15 125.030 0.014 . 1 . . . . . 90 VAL N . 52495 1 339 . 1 . 1 99 99 GLN H H 1 8.583 0.002 . 1 . . . . . 91 GLN H . 52495 1 340 . 1 . 1 99 99 GLN CA C 13 54.134 0.070 . 1 . . . . . 91 GLN CA . 52495 1 341 . 1 . 1 99 99 GLN CB C 13 31.987 0.058 . 1 . . . . . 91 GLN CB . 52495 1 342 . 1 . 1 99 99 GLN N N 15 123.185 0.022 . 1 . . . . . 91 GLN N . 52495 1 343 . 1 . 1 100 100 LEU H H 1 8.425 0.002 . 1 . . . . . 92 LEU H . 52495 1 344 . 1 . 1 100 100 LEU C C 13 176.092 0.000 . 1 . . . . . 92 LEU C . 52495 1 345 . 1 . 1 100 100 LEU CA C 13 54.180 0.075 . 1 . . . . . 92 LEU CA . 52495 1 346 . 1 . 1 100 100 LEU CB C 13 42.651 0.006 . 1 . . . . . 92 LEU CB . 52495 1 347 . 1 . 1 100 100 LEU N N 15 124.641 0.009 . 1 . . . . . 92 LEU N . 52495 1 348 . 1 . 1 101 101 GLU H H 1 8.768 0.003 . 1 . . . . . 93 GLU H . 52495 1 349 . 1 . 1 101 101 GLU CA C 13 54.962 0.000 . 1 . . . . . 93 GLU CA . 52495 1 350 . 1 . 1 101 101 GLU CB C 13 30.299 0.000 . 1 . . . . . 93 GLU CB . 52495 1 351 . 1 . 1 101 101 GLU N N 15 126.833 0.036 . 1 . . . . . 93 GLU N . 52495 1 352 . 1 . 1 103 103 GLU C C 13 176.317 0.000 . 1 . . . . . 95 GLU C . 52495 1 353 . 1 . 1 104 104 ARG H H 1 7.906 0.003 . 1 . . . . . 96 ARG H . 52495 1 354 . 1 . 1 104 104 ARG C C 13 174.080 0.000 . 1 . . . . . 96 ARG C . 52495 1 355 . 1 . 1 104 104 ARG CA C 13 53.903 0.000 . 1 . . . . . 96 ARG CA . 52495 1 356 . 1 . 1 104 104 ARG CB C 13 31.829 0.010 . 1 . . . . . 96 ARG CB . 52495 1 357 . 1 . 1 104 104 ARG N N 15 121.383 0.022 . 1 . . . . . 96 ARG N . 52495 1 358 . 1 . 1 105 105 MET H H 1 9.133 0.003 . 1 . . . . . 97 MET H . 52495 1 359 . 1 . 1 105 105 MET C C 13 173.528 0.000 . 1 . . . . . 97 MET C . 52495 1 360 . 1 . 1 105 105 MET CA C 13 54.422 0.074 . 1 . . . . . 97 MET CA . 52495 1 361 . 1 . 1 105 105 MET CB C 13 34.613 0.000 . 1 . . . . . 97 MET CB . 52495 1 362 . 1 . 1 105 105 MET N N 15 122.851 0.002 . 1 . . . . . 97 MET N . 52495 1 363 . 1 . 1 106 106 LEU H H 1 8.993 0.001 . 1 . . . . . 98 LEU H . 52495 1 364 . 1 . 1 106 106 LEU C C 13 176.166 0.000 . 1 . . . . . 98 LEU C . 52495 1 365 . 1 . 1 106 106 LEU CA C 13 52.974 0.005 . 1 . . . . . 98 LEU CA . 52495 1 366 . 1 . 1 106 106 LEU CB C 13 41.851 0.010 . 1 . . . . . 98 LEU CB . 52495 1 367 . 1 . 1 106 106 LEU N N 15 130.181 0.010 . 1 . . . . . 98 LEU N . 52495 1 368 . 1 . 1 107 107 VAL H H 1 9.269 0.001 . 1 . . . . . 99 VAL H . 52495 1 369 . 1 . 1 107 107 VAL C C 13 174.909 0.000 . 1 . . . . . 99 VAL C . 52495 1 370 . 1 . 1 107 107 VAL CA C 13 60.516 0.002 . 1 . . . . . 99 VAL CA . 52495 1 371 . 1 . 1 107 107 VAL CB C 13 33.175 0.000 . 1 . . . . . 99 VAL CB . 52495 1 372 . 1 . 1 107 107 VAL N N 15 124.790 0.025 . 1 . . . . . 99 VAL N . 52495 1 373 . 1 . 1 108 108 ARG H H 1 9.364 0.001 . 1 . . . . . 100 ARG H . 52495 1 374 . 1 . 1 108 108 ARG C C 13 175.686 0.000 . 1 . . . . . 100 ARG C . 52495 1 375 . 1 . 1 108 108 ARG CA C 13 54.355 0.001 . 1 . . . . . 100 ARG CA . 52495 1 376 . 1 . 1 108 108 ARG CB C 13 33.392 0.001 . 1 . . . . . 100 ARG CB . 52495 1 377 . 1 . 1 108 108 ARG N N 15 126.334 0.013 . 1 . . . . . 100 ARG N . 52495 1 378 . 1 . 1 109 109 SER H H 1 8.149 0.001 . 1 . . . . . 101 SER H . 52495 1 379 . 1 . 1 109 109 SER CA C 13 57.626 0.000 . 1 . . . . . 101 SER CA . 52495 1 380 . 1 . 1 109 109 SER CB C 13 64.505 0.000 . 1 . . . . . 101 SER CB . 52495 1 381 . 1 . 1 109 109 SER N N 15 116.776 0.028 . 1 . . . . . 101 SER N . 52495 1 382 . 1 . 1 111 111 ARG C C 13 175.202 0.000 . 1 . . . . . 103 ARG C . 52495 1 383 . 1 . 1 111 111 ARG CA C 13 55.573 0.000 . 1 . . . . . 103 ARG CA . 52495 1 384 . 1 . 1 112 112 SER H H 1 8.475 0.002 . 1 . . . . . 104 SER H . 52495 1 385 . 1 . 1 112 112 SER C C 13 173.764 0.000 . 1 . . . . . 104 SER C . 52495 1 386 . 1 . 1 112 112 SER CA C 13 58.151 0.075 . 1 . . . . . 104 SER CA . 52495 1 387 . 1 . 1 112 112 SER CB C 13 63.429 0.018 . 1 . . . . . 104 SER CB . 52495 1 388 . 1 . 1 112 112 SER N N 15 118.160 0.019 . 1 . . . . . 104 SER N . 52495 1 389 . 1 . 1 113 113 ARG H H 1 8.648 0.001 . 1 . . . . . 105 ARG H . 52495 1 390 . 1 . 1 113 113 ARG C C 13 173.196 0.000 . 1 . . . . . 105 ARG C . 52495 1 391 . 1 . 1 113 113 ARG CA C 13 54.741 0.064 . 1 . . . . . 105 ARG CA . 52495 1 392 . 1 . 1 113 113 ARG CB C 13 32.852 0.041 . 1 . . . . . 105 ARG CB . 52495 1 393 . 1 . 1 113 113 ARG N N 15 126.196 0.022 . 1 . . . . . 105 ARG N . 52495 1 394 . 1 . 1 114 114 PHE H H 1 9.149 0.003 . 1 . . . . . 106 PHE H . 52495 1 395 . 1 . 1 114 114 PHE C C 13 174.584 0.000 . 1 . . . . . 106 PHE C . 52495 1 396 . 1 . 1 114 114 PHE CA C 13 55.428 0.002 . 1 . . . . . 106 PHE CA . 52495 1 397 . 1 . 1 114 114 PHE CB C 13 41.949 0.030 . 1 . . . . . 106 PHE CB . 52495 1 398 . 1 . 1 114 114 PHE N N 15 121.740 0.018 . 1 . . . . . 106 PHE N . 52495 1 399 . 1 . 1 115 115 SER H H 1 9.228 0.002 . 1 . . . . . 107 SER H . 52495 1 400 . 1 . 1 115 115 SER C C 13 173.527 0.000 . 1 . . . . . 107 SER C . 52495 1 401 . 1 . 1 115 115 SER CA C 13 56.101 0.000 . 1 . . . . . 107 SER CA . 52495 1 402 . 1 . 1 115 115 SER CB C 13 63.706 0.053 . 1 . . . . . 107 SER CB . 52495 1 403 . 1 . 1 115 115 SER N N 15 118.869 0.014 . 1 . . . . . 107 SER N . 52495 1 404 . 1 . 1 116 116 LEU H H 1 8.991 0.003 . 1 . . . . . 108 LEU H . 52495 1 405 . 1 . 1 116 116 LEU C C 13 176.407 0.000 . 1 . . . . . 108 LEU C . 52495 1 406 . 1 . 1 116 116 LEU CA C 13 52.820 0.001 . 1 . . . . . 108 LEU CA . 52495 1 407 . 1 . 1 116 116 LEU CB C 13 44.613 0.046 . 1 . . . . . 108 LEU CB . 52495 1 408 . 1 . 1 116 116 LEU N N 15 123.467 0.028 . 1 . . . . . 108 LEU N . 52495 1 409 . 1 . 1 117 117 SER H H 1 9.903 0.003 . 1 . . . . . 109 SER H . 52495 1 410 . 1 . 1 117 117 SER C C 13 172.659 0.000 . 1 . . . . . 109 SER C . 52495 1 411 . 1 . 1 117 117 SER CA C 13 58.678 0.001 . 1 . . . . . 109 SER CA . 52495 1 412 . 1 . 1 117 117 SER CB C 13 63.764 0.018 . 1 . . . . . 109 SER CB . 52495 1 413 . 1 . 1 117 117 SER N N 15 119.489 0.021 . 1 . . . . . 109 SER N . 52495 1 414 . 1 . 1 118 118 THR H H 1 7.534 0.002 . 1 . . . . . 110 THR H . 52495 1 415 . 1 . 1 118 118 THR CA C 13 59.381 0.000 . 1 . . . . . 110 THR CA . 52495 1 416 . 1 . 1 118 118 THR CB C 13 73.091 0.000 . 1 . . . . . 110 THR CB . 52495 1 417 . 1 . 1 118 118 THR N N 15 107.610 0.016 . 1 . . . . . 110 THR N . 52495 1 418 . 1 . 1 120 120 PRO C C 13 177.377 0.000 . 1 . . . . . 112 PRO C . 52495 1 419 . 1 . 1 120 120 PRO CA C 13 63.019 0.000 . 1 . . . . . 112 PRO CA . 52495 1 420 . 1 . 1 120 120 PRO CB C 13 31.421 0.000 . 1 . . . . . 112 PRO CB . 52495 1 421 . 1 . 1 121 121 ALA H H 1 8.594 0.002 . 1 . . . . . 113 ALA H . 52495 1 422 . 1 . 1 121 121 ALA C C 13 180.066 0.000 . 1 . . . . . 113 ALA C . 52495 1 423 . 1 . 1 121 121 ALA CA C 13 54.374 0.058 . 1 . . . . . 113 ALA CA . 52495 1 424 . 1 . 1 121 121 ALA CB C 13 17.570 0.000 . 1 . . . . . 113 ALA CB . 52495 1 425 . 1 . 1 121 121 ALA N N 15 125.018 0.015 . 1 . . . . . 113 ALA N . 52495 1 426 . 1 . 1 122 122 ALA H H 1 8.265 0.004 . 1 . . . . . 114 ALA H . 52495 1 427 . 1 . 1 122 122 ALA C C 13 177.945 0.000 . 1 . . . . . 114 ALA C . 52495 1 428 . 1 . 1 122 122 ALA CA C 13 53.618 0.073 . 1 . . . . . 114 ALA CA . 52495 1 429 . 1 . 1 122 122 ALA CB C 13 17.763 0.040 . 1 . . . . . 114 ALA CB . 52495 1 430 . 1 . 1 122 122 ALA N N 15 118.541 0.023 . 1 . . . . . 114 ALA N . 52495 1 431 . 1 . 1 123 123 ASP H H 1 7.336 0.004 . 1 . . . . . 115 ASP H . 52495 1 432 . 1 . 1 123 123 ASP C C 13 175.751 0.000 . 1 . . . . . 115 ASP C . 52495 1 433 . 1 . 1 123 123 ASP CA C 13 53.888 0.042 . 1 . . . . . 115 ASP CA . 52495 1 434 . 1 . 1 123 123 ASP CB C 13 40.513 0.033 . 1 . . . . . 115 ASP CB . 52495 1 435 . 1 . 1 123 123 ASP N N 15 116.199 0.010 . 1 . . . . . 115 ASP N . 52495 1 436 . 1 . 1 124 124 PHE H H 1 7.773 0.003 . 1 . . . . . 116 PHE H . 52495 1 437 . 1 . 1 124 124 PHE CA C 13 57.065 0.000 . 1 . . . . . 116 PHE CA . 52495 1 438 . 1 . 1 124 124 PHE CB C 13 39.898 0.000 . 1 . . . . . 116 PHE CB . 52495 1 439 . 1 . 1 124 124 PHE N N 15 125.984 0.028 . 1 . . . . . 116 PHE N . 52495 1 440 . 1 . 1 125 125 PRO C C 13 174.459 0.000 . 1 . . . . . 117 PRO C . 52495 1 441 . 1 . 1 125 125 PRO CA C 13 62.574 0.000 . 1 . . . . . 117 PRO CA . 52495 1 442 . 1 . 1 126 126 ASN H H 1 8.033 0.002 . 1 . . . . . 118 ASN H . 52495 1 443 . 1 . 1 126 126 ASN C C 13 175.085 0.000 . 1 . . . . . 118 ASN C . 52495 1 444 . 1 . 1 126 126 ASN CA C 13 52.194 0.002 . 1 . . . . . 118 ASN CA . 52495 1 445 . 1 . 1 126 126 ASN CB C 13 40.566 0.000 . 1 . . . . . 118 ASN CB . 52495 1 446 . 1 . 1 126 126 ASN N N 15 118.436 0.010 . 1 . . . . . 118 ASN N . 52495 1 447 . 1 . 1 127 127 LEU H H 1 8.708 0.002 . 1 . . . . . 119 LEU H . 52495 1 448 . 1 . 1 127 127 LEU C C 13 177.365 0.000 . 1 . . . . . 119 LEU C . 52495 1 449 . 1 . 1 127 127 LEU CA C 13 54.320 0.088 . 1 . . . . . 119 LEU CA . 52495 1 450 . 1 . 1 127 127 LEU CB C 13 40.759 0.000 . 1 . . . . . 119 LEU CB . 52495 1 451 . 1 . 1 127 127 LEU N N 15 125.018 0.020 . 1 . . . . . 119 LEU N . 52495 1 452 . 1 . 1 128 128 ASP H H 1 8.228 0.001 . 1 . . . . . 120 ASP H . 52495 1 453 . 1 . 1 128 128 ASP C C 13 176.309 0.000 . 1 . . . . . 120 ASP C . 52495 1 454 . 1 . 1 128 128 ASP CA C 13 54.392 0.056 . 1 . . . . . 120 ASP CA . 52495 1 455 . 1 . 1 128 128 ASP CB C 13 41.021 0.000 . 1 . . . . . 120 ASP CB . 52495 1 456 . 1 . 1 128 128 ASP N N 15 121.820 0.005 . 1 . . . . . 120 ASP N . 52495 1 457 . 1 . 1 129 129 ASP H H 1 8.310 0.002 . 1 . . . . . 121 ASP H . 52495 1 458 . 1 . 1 129 129 ASP C C 13 175.004 0.000 . 1 . . . . . 121 ASP C . 52495 1 459 . 1 . 1 129 129 ASP CA C 13 54.062 0.010 . 1 . . . . . 121 ASP CA . 52495 1 460 . 1 . 1 129 129 ASP CB C 13 41.047 0.000 . 1 . . . . . 121 ASP CB . 52495 1 461 . 1 . 1 129 129 ASP N N 15 121.335 0.019 . 1 . . . . . 121 ASP N . 52495 1 462 . 1 . 1 130 130 TRP H H 1 7.486 0.001 . 1 . . . . . 122 TRP H . 52495 1 463 . 1 . 1 130 130 TRP CA C 13 54.725 0.000 . 1 . . . . . 122 TRP CA . 52495 1 464 . 1 . 1 130 130 TRP N N 15 118.774 0.018 . 1 . . . . . 122 TRP N . 52495 1 465 . 1 . 1 132 132 SER C C 13 174.438 0.000 . 1 . . . . . 124 SER C . 52495 1 466 . 1 . 1 132 132 SER CA C 13 58.857 0.000 . 1 . . . . . 124 SER CA . 52495 1 467 . 1 . 1 133 133 GLU H H 1 9.248 0.006 . 1 . . . . . 125 GLU H . 52495 1 468 . 1 . 1 133 133 GLU C C 13 176.307 0.000 . 1 . . . . . 125 GLU C . 52495 1 469 . 1 . 1 133 133 GLU CA C 13 56.924 0.001 . 1 . . . . . 125 GLU CA . 52495 1 470 . 1 . 1 133 133 GLU N N 15 124.087 0.028 . 1 . . . . . 125 GLU N . 52495 1 471 . 1 . 1 134 134 VAL H H 1 7.896 0.003 . 1 . . . . . 126 VAL H . 52495 1 472 . 1 . 1 134 134 VAL C C 13 172.776 0.000 . 1 . . . . . 126 VAL C . 52495 1 473 . 1 . 1 134 134 VAL CA C 13 60.562 0.067 . 1 . . . . . 126 VAL CA . 52495 1 474 . 1 . 1 134 134 VAL CB C 13 34.215 0.003 . 1 . . . . . 126 VAL CB . 52495 1 475 . 1 . 1 134 134 VAL N N 15 118.372 0.024 . 1 . . . . . 126 VAL N . 52495 1 476 . 1 . 1 135 135 GLU H H 1 8.295 0.001 . 1 . . . . . 127 GLU H . 52495 1 477 . 1 . 1 135 135 GLU C C 13 174.581 0.000 . 1 . . . . . 127 GLU C . 52495 1 478 . 1 . 1 135 135 GLU CA C 13 54.111 0.001 . 1 . . . . . 127 GLU CA . 52495 1 479 . 1 . 1 135 135 GLU CB C 13 32.770 0.005 . 1 . . . . . 127 GLU CB . 52495 1 480 . 1 . 1 135 135 GLU N N 15 125.098 0.011 . 1 . . . . . 127 GLU N . 52495 1 481 . 1 . 1 136 136 PHE H H 1 8.406 0.002 . 1 . . . . . 128 PHE H . 52495 1 482 . 1 . 1 136 136 PHE C C 13 172.772 0.000 . 1 . . . . . 128 PHE C . 52495 1 483 . 1 . 1 136 136 PHE CA C 13 56.031 0.004 . 1 . . . . . 128 PHE CA . 52495 1 484 . 1 . 1 136 136 PHE CB C 13 39.237 0.019 . 1 . . . . . 128 PHE CB . 52495 1 485 . 1 . 1 136 136 PHE N N 15 118.125 0.009 . 1 . . . . . 128 PHE N . 52495 1 486 . 1 . 1 137 137 THR H H 1 8.361 0.003 . 1 . . . . . 129 THR H . 52495 1 487 . 1 . 1 137 137 THR C C 13 173.272 0.000 . 1 . . . . . 129 THR C . 52495 1 488 . 1 . 1 137 137 THR CA C 13 60.063 0.079 . 1 . . . . . 129 THR CA . 52495 1 489 . 1 . 1 137 137 THR CB C 13 71.032 0.000 . 1 . . . . . 129 THR CB . 52495 1 490 . 1 . 1 137 137 THR N N 15 113.977 0.014 . 1 . . . . . 129 THR N . 52495 1 491 . 1 . 1 138 138 LEU H H 1 8.908 0.004 . 1 . . . . . 130 LEU H . 52495 1 492 . 1 . 1 138 138 LEU CA C 13 53.994 0.000 . 1 . . . . . 130 LEU CA . 52495 1 493 . 1 . 1 138 138 LEU N N 15 123.822 0.050 . 1 . . . . . 130 LEU N . 52495 1 494 . 1 . 1 139 139 PRO C C 13 179.014 0.000 . 1 . . . . . 131 PRO C . 52495 1 495 . 1 . 1 139 139 PRO CA C 13 62.305 0.000 . 1 . . . . . 131 PRO CA . 52495 1 496 . 1 . 1 140 140 GLN H H 1 9.225 0.002 . 1 . . . . . 132 GLN H . 52495 1 497 . 1 . 1 140 140 GLN C C 13 178.725 0.000 . 1 . . . . . 132 GLN C . 52495 1 498 . 1 . 1 140 140 GLN CA C 13 60.422 0.017 . 1 . . . . . 132 GLN CA . 52495 1 499 . 1 . 1 140 140 GLN CB C 13 28.314 0.000 . 1 . . . . . 132 GLN CB . 52495 1 500 . 1 . 1 140 140 GLN N N 15 125.463 0.009 . 1 . . . . . 132 GLN N . 52495 1 501 . 1 . 1 141 141 ALA H H 1 8.855 0.004 . 1 . . . . . 133 ALA H . 52495 1 502 . 1 . 1 141 141 ALA C C 13 180.589 0.000 . 1 . . . . . 133 ALA C . 52495 1 503 . 1 . 1 141 141 ALA CA C 13 54.636 0.053 . 1 . . . . . 133 ALA CA . 52495 1 504 . 1 . 1 141 141 ALA CB C 13 17.933 0.000 . 1 . . . . . 133 ALA CB . 52495 1 505 . 1 . 1 141 141 ALA N N 15 118.227 0.020 . 1 . . . . . 133 ALA N . 52495 1 506 . 1 . 1 142 142 THR H H 1 7.237 0.004 . 1 . . . . . 134 THR H . 52495 1 507 . 1 . 1 142 142 THR CA C 13 65.995 0.065 . 1 . . . . . 134 THR CA . 52495 1 508 . 1 . 1 142 142 THR N N 15 115.247 0.043 . 1 . . . . . 134 THR N . 52495 1 509 . 1 . 1 143 143 MET H H 1 7.034 0.005 . 1 . . . . . 135 MET H . 52495 1 510 . 1 . 1 143 143 MET CA C 13 57.015 0.071 . 1 . . . . . 135 MET CA . 52495 1 511 . 1 . 1 143 143 MET CB C 13 32.362 0.000 . 1 . . . . . 135 MET CB . 52495 1 512 . 1 . 1 143 143 MET N N 15 120.371 0.029 . 1 . . . . . 135 MET N . 52495 1 513 . 1 . 1 144 144 LYS H H 1 8.508 0.004 . 1 . . . . . 136 LYS H . 52495 1 514 . 1 . 1 144 144 LYS CA C 13 59.959 0.065 . 1 . . . . . 136 LYS CA . 52495 1 515 . 1 . 1 144 144 LYS CB C 13 32.046 0.000 . 1 . . . . . 136 LYS CB . 52495 1 516 . 1 . 1 144 144 LYS N N 15 118.050 0.017 . 1 . . . . . 136 LYS N . 52495 1 517 . 1 . 1 145 145 ARG H H 1 7.509 0.003 . 1 . . . . . 137 ARG H . 52495 1 518 . 1 . 1 145 145 ARG CA C 13 58.445 0.000 . 1 . . . . . 137 ARG CA . 52495 1 519 . 1 . 1 145 145 ARG N N 15 118.698 0.018 . 1 . . . . . 137 ARG N . 52495 1 520 . 1 . 1 152 152 PHE CA C 13 57.546 0.000 . 1 . . . . . 144 PHE CA . 52495 1 521 . 1 . 1 153 153 SER H H 1 6.836 0.003 . 1 . . . . . 145 SER H . 52495 1 522 . 1 . 1 153 153 SER CA C 13 57.928 0.077 . 1 . . . . . 145 SER CA . 52495 1 523 . 1 . 1 153 153 SER CB C 13 64.583 0.000 . 1 . . . . . 145 SER CB . 52495 1 524 . 1 . 1 153 153 SER N N 15 113.510 0.028 . 1 . . . . . 145 SER N . 52495 1 525 . 1 . 1 154 154 MET H H 1 6.691 0.003 . 1 . . . . . 146 MET H . 52495 1 526 . 1 . 1 154 154 MET C C 13 177.369 0.000 . 1 . . . . . 146 MET C . 52495 1 527 . 1 . 1 154 154 MET CA C 13 56.455 0.043 . 1 . . . . . 146 MET CA . 52495 1 528 . 1 . 1 154 154 MET CB C 13 34.835 0.031 . 1 . . . . . 146 MET CB . 52495 1 529 . 1 . 1 154 154 MET N N 15 114.876 0.012 . 1 . . . . . 146 MET N . 52495 1 530 . 1 . 1 155 155 ALA H H 1 7.247 0.002 . 1 . . . . . 147 ALA H . 52495 1 531 . 1 . 1 155 155 ALA C C 13 176.079 0.000 . 1 . . . . . 147 ALA C . 52495 1 532 . 1 . 1 155 155 ALA CA C 13 51.956 0.068 . 1 . . . . . 147 ALA CA . 52495 1 533 . 1 . 1 155 155 ALA CB C 13 19.608 0.021 . 1 . . . . . 147 ALA CB . 52495 1 534 . 1 . 1 155 155 ALA N N 15 124.679 0.027 . 1 . . . . . 147 ALA N . 52495 1 535 . 1 . 1 156 156 HIS H H 1 8.343 0.003 . 1 . . . . . 148 HIS H . 52495 1 536 . 1 . 1 156 156 HIS CA C 13 56.630 0.000 . 1 . . . . . 148 HIS CA . 52495 1 537 . 1 . 1 156 156 HIS CB C 13 31.928 0.000 . 1 . . . . . 148 HIS CB . 52495 1 538 . 1 . 1 156 156 HIS N N 15 117.823 0.024 . 1 . . . . . 148 HIS N . 52495 1 539 . 1 . 1 158 158 ASP C C 13 177.802 0.000 . 1 . . . . . 150 ASP C . 52495 1 540 . 1 . 1 158 158 ASP CA C 13 54.459 0.000 . 1 . . . . . 150 ASP CA . 52495 1 541 . 1 . 1 159 159 VAL H H 1 8.261 0.003 . 1 . . . . . 151 VAL H . 52495 1 542 . 1 . 1 159 159 VAL CA C 13 64.189 0.006 . 1 . . . . . 151 VAL CA . 52495 1 543 . 1 . 1 159 159 VAL CB C 13 30.624 0.000 . 1 . . . . . 151 VAL CB . 52495 1 544 . 1 . 1 159 159 VAL N N 15 125.199 0.011 . 1 . . . . . 151 VAL N . 52495 1 545 . 1 . 1 160 160 ARG H H 1 9.823 0.003 . 1 . . . . . 152 ARG H . 52495 1 546 . 1 . 1 160 160 ARG C C 13 175.296 0.000 . 1 . . . . . 152 ARG C . 52495 1 547 . 1 . 1 160 160 ARG CA C 13 53.951 0.015 . 1 . . . . . 152 ARG CA . 52495 1 548 . 1 . 1 160 160 ARG N N 15 124.104 0.006 . 1 . . . . . 152 ARG N . 52495 1 549 . 1 . 1 161 161 TYR H H 1 7.078 0.002 . 1 . . . . . 153 TYR H . 52495 1 550 . 1 . 1 161 161 TYR CA C 13 58.959 0.000 . 1 . . . . . 153 TYR CA . 52495 1 551 . 1 . 1 161 161 TYR N N 15 123.515 0.008 . 1 . . . . . 153 TYR N . 52495 1 552 . 1 . 1 162 162 TYR H H 1 5.794 0.009 . 1 . . . . . 154 TYR H . 52495 1 553 . 1 . 1 162 162 TYR CA C 13 55.519 0.000 . 1 . . . . . 154 TYR CA . 52495 1 554 . 1 . 1 162 162 TYR N N 15 117.566 0.013 . 1 . . . . . 154 TYR N . 52495 1 555 . 1 . 1 163 163 LEU H H 1 6.977 0.006 . 1 . . . . . 155 LEU H . 52495 1 556 . 1 . 1 163 163 LEU CA C 13 54.075 0.056 . 1 . . . . . 155 LEU CA . 52495 1 557 . 1 . 1 163 163 LEU CB C 13 39.894 0.000 . 1 . . . . . 155 LEU CB . 52495 1 558 . 1 . 1 163 163 LEU N N 15 113.863 0.030 . 1 . . . . . 155 LEU N . 52495 1 559 . 1 . 1 164 164 ASN H H 1 7.262 0.004 . 1 . . . . . 156 ASN H . 52495 1 560 . 1 . 1 164 164 ASN C C 13 177.019 0.000 . 1 . . . . . 156 ASN C . 52495 1 561 . 1 . 1 164 164 ASN CA C 13 50.762 0.009 . 1 . . . . . 156 ASN CA . 52495 1 562 . 1 . 1 164 164 ASN CB C 13 36.085 0.000 . 1 . . . . . 156 ASN CB . 52495 1 563 . 1 . 1 164 164 ASN N N 15 121.494 0.010 . 1 . . . . . 156 ASN N . 52495 1 564 . 1 . 1 165 165 GLY H H 1 8.281 0.003 . 1 . . . . . 157 GLY H . 52495 1 565 . 1 . 1 165 165 GLY C C 13 168.963 0.000 . 1 . . . . . 157 GLY C . 52495 1 566 . 1 . 1 165 165 GLY CA C 13 46.077 0.011 . 1 . . . . . 157 GLY CA . 52495 1 567 . 1 . 1 165 165 GLY N N 15 108.706 0.010 . 1 . . . . . 157 GLY N . 52495 1 568 . 1 . 1 166 166 MET H H 1 8.892 0.002 . 1 . . . . . 158 MET H . 52495 1 569 . 1 . 1 166 166 MET CA C 13 53.821 0.036 . 1 . . . . . 158 MET CA . 52495 1 570 . 1 . 1 166 166 MET N N 15 121.601 0.025 . 1 . . . . . 158 MET N . 52495 1 571 . 1 . 1 167 167 LEU H H 1 8.451 0.003 . 1 . . . . . 159 LEU H . 52495 1 572 . 1 . 1 167 167 LEU CA C 13 53.972 0.044 . 1 . . . . . 159 LEU CA . 52495 1 573 . 1 . 1 167 167 LEU CB C 13 41.562 0.068 . 1 . . . . . 159 LEU CB . 52495 1 574 . 1 . 1 167 167 LEU N N 15 130.502 0.013 . 1 . . . . . 159 LEU N . 52495 1 575 . 1 . 1 168 168 PHE H H 1 9.423 0.001 . 1 . . . . . 160 PHE H . 52495 1 576 . 1 . 1 168 168 PHE CA C 13 55.653 0.004 . 1 . . . . . 160 PHE CA . 52495 1 577 . 1 . 1 168 168 PHE CB C 13 39.691 0.000 . 1 . . . . . 160 PHE CB . 52495 1 578 . 1 . 1 168 168 PHE N N 15 127.053 0.012 . 1 . . . . . 160 PHE N . 52495 1 579 . 1 . 1 169 169 GLU H H 1 9.406 0.003 . 1 . . . . . 161 GLU H . 52495 1 580 . 1 . 1 169 169 GLU C C 13 175.026 0.000 . 1 . . . . . 161 GLU C . 52495 1 581 . 1 . 1 169 169 GLU CA C 13 53.518 0.022 . 1 . . . . . 161 GLU CA . 52495 1 582 . 1 . 1 169 169 GLU CB C 13 33.158 0.000 . 1 . . . . . 161 GLU CB . 52495 1 583 . 1 . 1 169 169 GLU N N 15 122.674 0.022 . 1 . . . . . 161 GLU N . 52495 1 584 . 1 . 1 170 170 THR H H 1 8.936 0.003 . 1 . . . . . 162 THR H . 52495 1 585 . 1 . 1 170 170 THR C C 13 175.203 0.000 . 1 . . . . . 162 THR C . 52495 1 586 . 1 . 1 170 170 THR CA C 13 58.382 0.001 . 1 . . . . . 162 THR CA . 52495 1 587 . 1 . 1 170 170 THR CB C 13 69.045 0.015 . 1 . . . . . 162 THR CB . 52495 1 588 . 1 . 1 170 170 THR N N 15 114.621 0.021 . 1 . . . . . 162 THR N . 52495 1 589 . 1 . 1 171 171 GLU H H 1 8.242 0.002 . 1 . . . . . 163 GLU H . 52495 1 590 . 1 . 1 171 171 GLU C C 13 175.901 0.000 . 1 . . . . . 163 GLU C . 52495 1 591 . 1 . 1 171 171 GLU CA C 13 56.483 0.002 . 1 . . . . . 163 GLU CA . 52495 1 592 . 1 . 1 171 171 GLU CB C 13 30.410 0.002 . 1 . . . . . 163 GLU CB . 52495 1 593 . 1 . 1 171 171 GLU N N 15 122.545 0.022 . 1 . . . . . 163 GLU N . 52495 1 594 . 1 . 1 172 172 GLY H H 1 9.160 0.002 . 1 . . . . . 164 GLY H . 52495 1 595 . 1 . 1 172 172 GLY C C 13 173.638 0.000 . 1 . . . . . 164 GLY C . 52495 1 596 . 1 . 1 172 172 GLY CA C 13 47.141 0.000 . 1 . . . . . 164 GLY CA . 52495 1 597 . 1 . 1 172 172 GLY N N 15 120.267 0.005 . 1 . . . . . 164 GLY N . 52495 1 598 . 1 . 1 173 173 GLU H H 1 8.527 0.002 . 1 . . . . . 165 GLU H . 52495 1 599 . 1 . 1 173 173 GLU C C 13 175.545 0.000 . 1 . . . . . 165 GLU C . 52495 1 600 . 1 . 1 173 173 GLU CA C 13 54.640 0.073 . 1 . . . . . 165 GLU CA . 52495 1 601 . 1 . 1 173 173 GLU CB C 13 29.628 0.000 . 1 . . . . . 165 GLU CB . 52495 1 602 . 1 . 1 173 173 GLU N N 15 126.627 0.019 . 1 . . . . . 165 GLU N . 52495 1 603 . 1 . 1 174 174 GLU H H 1 8.134 0.002 . 1 . . . . . 166 GLU H . 52495 1 604 . 1 . 1 174 174 GLU C C 13 173.561 0.000 . 1 . . . . . 166 GLU C . 52495 1 605 . 1 . 1 174 174 GLU CA C 13 55.329 0.067 . 1 . . . . . 166 GLU CA . 52495 1 606 . 1 . 1 174 174 GLU CB C 13 32.486 0.002 . 1 . . . . . 166 GLU CB . 52495 1 607 . 1 . 1 174 174 GLU N N 15 119.722 0.025 . 1 . . . . . 166 GLU N . 52495 1 608 . 1 . 1 175 175 LEU H H 1 8.102 0.002 . 1 . . . . . 167 LEU H . 52495 1 609 . 1 . 1 175 175 LEU C C 13 173.426 0.000 . 1 . . . . . 167 LEU C . 52495 1 610 . 1 . 1 175 175 LEU CA C 13 52.698 0.091 . 1 . . . . . 167 LEU CA . 52495 1 611 . 1 . 1 175 175 LEU CB C 13 44.593 0.000 . 1 . . . . . 167 LEU CB . 52495 1 612 . 1 . 1 175 175 LEU N N 15 122.293 0.019 . 1 . . . . . 167 LEU N . 52495 1 613 . 1 . 1 176 176 ARG H H 1 9.104 0.004 . 1 . . . . . 168 ARG H . 52495 1 614 . 1 . 1 176 176 ARG CA C 13 52.712 0.078 . 1 . . . . . 168 ARG CA . 52495 1 615 . 1 . 1 176 176 ARG CB C 13 33.439 0.000 . 1 . . . . . 168 ARG CB . 52495 1 616 . 1 . 1 176 176 ARG N N 15 125.879 0.025 . 1 . . . . . 168 ARG N . 52495 1 617 . 1 . 1 177 177 THR H H 1 8.846 0.004 . 1 . . . . . 169 THR H . 52495 1 618 . 1 . 1 177 177 THR CA C 13 57.250 0.007 . 1 . . . . . 169 THR CA . 52495 1 619 . 1 . 1 177 177 THR CB C 13 70.848 0.000 . 1 . . . . . 169 THR CB . 52495 1 620 . 1 . 1 177 177 THR N N 15 113.611 0.002 . 1 . . . . . 169 THR N . 52495 1 621 . 1 . 1 178 178 VAL H H 1 8.055 0.002 . 1 . . . . . 170 VAL H . 52495 1 622 . 1 . 1 178 178 VAL CA C 13 59.516 0.075 . 1 . . . . . 170 VAL CA . 52495 1 623 . 1 . 1 178 178 VAL N N 15 118.692 0.010 . 1 . . . . . 170 VAL N . 52495 1 624 . 1 . 1 179 179 ALA H H 1 8.665 0.002 . 1 . . . . . 171 ALA H . 52495 1 625 . 1 . 1 179 179 ALA CA C 13 50.165 0.000 . 1 . . . . . 171 ALA CA . 52495 1 626 . 1 . 1 179 179 ALA CB C 13 24.003 0.000 . 1 . . . . . 171 ALA CB . 52495 1 627 . 1 . 1 179 179 ALA N N 15 125.712 0.001 . 1 . . . . . 171 ALA N . 52495 1 628 . 1 . 1 184 184 ARG H H 1 8.259 0.003 . 1 . . . . . 176 ARG H . 52495 1 629 . 1 . 1 184 184 ARG C C 13 175.633 0.000 . 1 . . . . . 176 ARG C . 52495 1 630 . 1 . 1 184 184 ARG CA C 13 52.973 0.065 . 1 . . . . . 176 ARG CA . 52495 1 631 . 1 . 1 184 184 ARG N N 15 113.077 0.008 . 1 . . . . . 176 ARG N . 52495 1 632 . 1 . 1 185 185 LEU H H 1 9.721 0.005 . 1 . . . . . 177 LEU H . 52495 1 633 . 1 . 1 185 185 LEU C C 13 173.928 0.000 . 1 . . . . . 177 LEU C . 52495 1 634 . 1 . 1 185 185 LEU CA C 13 54.001 0.062 . 1 . . . . . 177 LEU CA . 52495 1 635 . 1 . 1 185 185 LEU CB C 13 45.937 0.000 . 1 . . . . . 177 LEU CB . 52495 1 636 . 1 . 1 185 185 LEU N N 15 126.561 0.012 . 1 . . . . . 177 LEU N . 52495 1 637 . 1 . 1 186 186 ALA H H 1 9.548 0.003 . 1 . . . . . 178 ALA H . 52495 1 638 . 1 . 1 186 186 ALA CA C 13 50.652 0.074 . 1 . . . . . 178 ALA CA . 52495 1 639 . 1 . 1 186 186 ALA CB C 13 23.665 0.025 . 1 . . . . . 178 ALA CB . 52495 1 640 . 1 . 1 186 186 ALA N N 15 132.280 0.030 . 1 . . . . . 178 ALA N . 52495 1 641 . 1 . 1 187 187 VAL H H 1 8.268 0.002 . 1 . . . . . 179 VAL H . 52495 1 642 . 1 . 1 187 187 VAL CA C 13 58.634 0.099 . 1 . . . . . 179 VAL CA . 52495 1 643 . 1 . 1 187 187 VAL CB C 13 33.810 0.000 . 1 . . . . . 179 VAL CB . 52495 1 644 . 1 . 1 187 187 VAL N N 15 120.359 0.023 . 1 . . . . . 179 VAL N . 52495 1 645 . 1 . 1 188 188 CYS H H 1 8.714 0.003 . 1 . . . . . 180 CYS H . 52495 1 646 . 1 . 1 188 188 CYS C C 13 171.436 0.000 . 1 . . . . . 180 CYS C . 52495 1 647 . 1 . 1 188 188 CYS CA C 13 56.863 0.064 . 1 . . . . . 180 CYS CA . 52495 1 648 . 1 . 1 188 188 CYS CB C 13 28.694 0.019 . 1 . . . . . 180 CYS CB . 52495 1 649 . 1 . 1 188 188 CYS N N 15 127.129 0.028 . 1 . . . . . 180 CYS N . 52495 1 650 . 1 . 1 189 189 SER H H 1 8.249 0.002 . 1 . . . . . 181 SER H . 52495 1 651 . 1 . 1 189 189 SER C C 13 174.238 0.000 . 1 . . . . . 181 SER C . 52495 1 652 . 1 . 1 189 189 SER CA C 13 56.491 0.007 . 1 . . . . . 181 SER CA . 52495 1 653 . 1 . 1 189 189 SER CB C 13 65.305 0.033 . 1 . . . . . 181 SER CB . 52495 1 654 . 1 . 1 189 189 SER N N 15 121.497 0.017 . 1 . . . . . 181 SER N . 52495 1 655 . 1 . 1 190 190 MET H H 1 8.923 0.002 . 1 . . . . . 182 MET H . 52495 1 656 . 1 . 1 190 190 MET CA C 13 51.591 0.000 . 1 . . . . . 182 MET CA . 52495 1 657 . 1 . 1 190 190 MET CB C 13 35.780 0.000 . 1 . . . . . 182 MET CB . 52495 1 658 . 1 . 1 190 190 MET N N 15 123.208 0.014 . 1 . . . . . 182 MET N . 52495 1 659 . 1 . 1 191 191 PRO C C 13 178.381 0.000 . 1 . . . . . 183 PRO C . 52495 1 660 . 1 . 1 191 191 PRO CA C 13 61.802 0.000 . 1 . . . . . 183 PRO CA . 52495 1 661 . 1 . 1 191 191 PRO CB C 13 31.263 0.000 . 1 . . . . . 183 PRO CB . 52495 1 662 . 1 . 1 192 192 ILE H H 1 8.975 0.003 . 1 . . . . . 184 ILE H . 52495 1 663 . 1 . 1 192 192 ILE C C 13 178.156 0.000 . 1 . . . . . 184 ILE C . 52495 1 664 . 1 . 1 192 192 ILE CA C 13 59.938 0.106 . 1 . . . . . 184 ILE CA . 52495 1 665 . 1 . 1 192 192 ILE CB C 13 38.936 0.000 . 1 . . . . . 184 ILE CB . 52495 1 666 . 1 . 1 192 192 ILE N N 15 115.660 0.014 . 1 . . . . . 184 ILE N . 52495 1 667 . 1 . 1 193 193 GLY H H 1 8.312 0.002 . 1 . . . . . 185 GLY H . 52495 1 668 . 1 . 1 193 193 GLY C C 13 173.455 0.000 . 1 . . . . . 185 GLY C . 52495 1 669 . 1 . 1 193 193 GLY CA C 13 46.519 0.003 . 1 . . . . . 185 GLY CA . 52495 1 670 . 1 . 1 193 193 GLY N N 15 110.212 0.012 . 1 . . . . . 185 GLY N . 52495 1 671 . 1 . 1 194 194 GLN H H 1 7.097 0.005 . 1 . . . . . 186 GLN H . 52495 1 672 . 1 . 1 194 194 GLN C C 13 172.892 0.000 . 1 . . . . . 186 GLN C . 52495 1 673 . 1 . 1 194 194 GLN CA C 13 53.805 0.071 . 1 . . . . . 186 GLN CA . 52495 1 674 . 1 . 1 194 194 GLN CB C 13 31.633 0.053 . 1 . . . . . 186 GLN CB . 52495 1 675 . 1 . 1 194 194 GLN N N 15 116.296 0.011 . 1 . . . . . 186 GLN N . 52495 1 676 . 1 . 1 195 195 SER H H 1 8.257 0.001 . 1 . . . . . 187 SER H . 52495 1 677 . 1 . 1 195 195 SER C C 13 174.692 0.000 . 1 . . . . . 187 SER C . 52495 1 678 . 1 . 1 195 195 SER CA C 13 57.921 0.002 . 1 . . . . . 187 SER CA . 52495 1 679 . 1 . 1 195 195 SER CB C 13 62.419 0.010 . 1 . . . . . 187 SER CB . 52495 1 680 . 1 . 1 195 195 SER N N 15 115.393 0.008 . 1 . . . . . 187 SER N . 52495 1 681 . 1 . 1 196 196 LEU H H 1 8.646 0.006 . 1 . . . . . 188 LEU H . 52495 1 682 . 1 . 1 196 196 LEU CA C 13 52.123 0.000 . 1 . . . . . 188 LEU CA . 52495 1 683 . 1 . 1 196 196 LEU CB C 13 42.512 0.000 . 1 . . . . . 188 LEU CB . 52495 1 684 . 1 . 1 196 196 LEU N N 15 128.649 0.014 . 1 . . . . . 188 LEU N . 52495 1 685 . 1 . 1 197 197 PRO C C 13 175.962 0.000 . 1 . . . . . 189 PRO C . 52495 1 686 . 1 . 1 197 197 PRO CA C 13 61.418 0.000 . 1 . . . . . 189 PRO CA . 52495 1 687 . 1 . 1 197 197 PRO CB C 13 31.261 0.000 . 1 . . . . . 189 PRO CB . 52495 1 688 . 1 . 1 198 198 SER H H 1 8.410 0.001 . 1 . . . . . 190 SER H . 52495 1 689 . 1 . 1 198 198 SER C C 13 173.950 0.000 . 1 . . . . . 190 SER C . 52495 1 690 . 1 . 1 198 198 SER CA C 13 58.074 0.082 . 1 . . . . . 190 SER CA . 52495 1 691 . 1 . 1 198 198 SER CB C 13 62.213 0.031 . 1 . . . . . 190 SER CB . 52495 1 692 . 1 . 1 198 198 SER N N 15 117.625 0.031 . 1 . . . . . 190 SER N . 52495 1 693 . 1 . 1 199 199 HIS H H 1 8.445 0.003 . 1 . . . . . 191 HIS H . 52495 1 694 . 1 . 1 199 199 HIS C C 13 173.644 0.000 . 1 . . . . . 191 HIS C . 52495 1 695 . 1 . 1 199 199 HIS CA C 13 55.947 0.002 . 1 . . . . . 191 HIS CA . 52495 1 696 . 1 . 1 199 199 HIS CB C 13 33.586 0.015 . 1 . . . . . 191 HIS CB . 52495 1 697 . 1 . 1 199 199 HIS N N 15 128.714 0.035 . 1 . . . . . 191 HIS N . 52495 1 698 . 1 . 1 200 200 SER H H 1 7.806 0.002 . 1 . . . . . 192 SER H . 52495 1 699 . 1 . 1 200 200 SER C C 13 173.234 0.000 . 1 . . . . . 192 SER C . 52495 1 700 . 1 . 1 200 200 SER CA C 13 57.376 0.073 . 1 . . . . . 192 SER CA . 52495 1 701 . 1 . 1 200 200 SER CB C 13 64.018 0.012 . 1 . . . . . 192 SER CB . 52495 1 702 . 1 . 1 200 200 SER N N 15 118.044 0.019 . 1 . . . . . 192 SER N . 52495 1 703 . 1 . 1 201 201 VAL H H 1 8.861 0.003 . 1 . . . . . 193 VAL H . 52495 1 704 . 1 . 1 201 201 VAL C C 13 172.793 0.000 . 1 . . . . . 193 VAL C . 52495 1 705 . 1 . 1 201 201 VAL CA C 13 58.601 0.002 . 1 . . . . . 193 VAL CA . 52495 1 706 . 1 . 1 201 201 VAL CB C 13 35.549 0.037 . 1 . . . . . 193 VAL CB . 52495 1 707 . 1 . 1 201 201 VAL N N 15 116.554 0.015 . 1 . . . . . 193 VAL N . 52495 1 708 . 1 . 1 202 202 ILE H H 1 8.870 0.002 . 1 . . . . . 194 ILE H . 52495 1 709 . 1 . 1 202 202 ILE CA C 13 59.901 0.000 . 1 . . . . . 194 ILE CA . 52495 1 710 . 1 . 1 202 202 ILE CB C 13 39.056 0.000 . 1 . . . . . 194 ILE CB . 52495 1 711 . 1 . 1 202 202 ILE N N 15 121.448 0.010 . 1 . . . . . 194 ILE N . 52495 1 712 . 1 . 1 203 203 VAL H H 1 9.088 0.005 . 1 . . . . . 195 VAL H . 52495 1 713 . 1 . 1 203 203 VAL CA C 13 58.454 0.000 . 1 . . . . . 195 VAL CA . 52495 1 714 . 1 . 1 203 203 VAL N N 15 130.255 0.027 . 1 . . . . . 195 VAL N . 52495 1 715 . 1 . 1 204 204 PRO C C 13 177.983 0.000 . 1 . . . . . 196 PRO C . 52495 1 716 . 1 . 1 204 204 PRO CA C 13 62.837 0.000 . 1 . . . . . 196 PRO CA . 52495 1 717 . 1 . 1 205 205 ARG H H 1 8.123 0.008 . 1 . . . . . 197 ARG H . 52495 1 718 . 1 . 1 205 205 ARG C C 13 176.520 0.000 . 1 . . . . . 197 ARG C . 52495 1 719 . 1 . 1 205 205 ARG CA C 13 59.806 0.065 . 1 . . . . . 197 ARG CA . 52495 1 720 . 1 . 1 205 205 ARG CB C 13 28.891 0.006 . 1 . . . . . 197 ARG CB . 52495 1 721 . 1 . 1 205 205 ARG N N 15 122.811 0.007 . 1 . . . . . 197 ARG N . 52495 1 722 . 1 . 1 206 206 LYS H H 1 8.895 0.003 . 1 . . . . . 198 LYS H . 52495 1 723 . 1 . 1 206 206 LYS C C 13 178.820 0.000 . 1 . . . . . 198 LYS C . 52495 1 724 . 1 . 1 206 206 LYS CA C 13 59.552 0.081 . 1 . . . . . 198 LYS CA . 52495 1 725 . 1 . 1 206 206 LYS CB C 13 31.304 0.027 . 1 . . . . . 198 LYS CB . 52495 1 726 . 1 . 1 206 206 LYS N N 15 117.747 0.022 . 1 . . . . . 198 LYS N . 52495 1 727 . 1 . 1 207 207 GLY H H 1 7.350 0.002 . 1 . . . . . 199 GLY H . 52495 1 728 . 1 . 1 207 207 GLY CA C 13 46.498 0.018 . 1 . . . . . 199 GLY CA . 52495 1 729 . 1 . 1 207 207 GLY N N 15 106.147 0.032 . 1 . . . . . 199 GLY N . 52495 1 730 . 1 . 1 208 208 VAL H H 1 7.842 0.004 . 1 . . . . . 200 VAL H . 52495 1 731 . 1 . 1 208 208 VAL CA C 13 66.465 0.003 . 1 . . . . . 200 VAL CA . 52495 1 732 . 1 . 1 208 208 VAL N N 15 121.739 0.012 . 1 . . . . . 200 VAL N . 52495 1 733 . 1 . 1 209 209 ILE H H 1 7.514 0.003 . 1 . . . . . 201 ILE H . 52495 1 734 . 1 . 1 209 209 ILE CA C 13 63.698 0.000 . 1 . . . . . 201 ILE CA . 52495 1 735 . 1 . 1 209 209 ILE N N 15 118.704 0.007 . 1 . . . . . 201 ILE N . 52495 1 736 . 1 . 1 211 211 LEU CA C 13 57.450 0.000 . 1 . . . . . 203 LEU CA . 52495 1 737 . 1 . 1 212 212 MET H H 1 7.789 0.002 . 1 . . . . . 204 MET H . 52495 1 738 . 1 . 1 212 212 MET CA C 13 58.436 0.008 . 1 . . . . . 204 MET CA . 52495 1 739 . 1 . 1 212 212 MET N N 15 115.964 0.046 . 1 . . . . . 204 MET N . 52495 1 740 . 1 . 1 213 213 ARG H H 1 7.503 0.004 . 1 . . . . . 205 ARG H . 52495 1 741 . 1 . 1 213 213 ARG CA C 13 57.938 0.009 . 1 . . . . . 205 ARG CA . 52495 1 742 . 1 . 1 213 213 ARG CB C 13 29.700 0.000 . 1 . . . . . 205 ARG CB . 52495 1 743 . 1 . 1 213 213 ARG N N 15 117.238 0.010 . 1 . . . . . 205 ARG N . 52495 1 744 . 1 . 1 214 214 MET H H 1 7.476 0.001 . 1 . . . . . 206 MET H . 52495 1 745 . 1 . 1 214 214 MET CA C 13 56.083 0.019 . 1 . . . . . 206 MET CA . 52495 1 746 . 1 . 1 214 214 MET CB C 13 33.085 0.000 . 1 . . . . . 206 MET CB . 52495 1 747 . 1 . 1 214 214 MET N N 15 116.338 0.003 . 1 . . . . . 206 MET N . 52495 1 748 . 1 . 1 215 215 LEU H H 1 6.914 0.003 . 1 . . . . . 207 LEU H . 52495 1 749 . 1 . 1 215 215 LEU C C 13 176.328 0.000 . 1 . . . . . 207 LEU C . 52495 1 750 . 1 . 1 215 215 LEU CA C 13 53.777 0.071 . 1 . . . . . 207 LEU CA . 52495 1 751 . 1 . 1 215 215 LEU CB C 13 39.667 0.039 . 1 . . . . . 207 LEU CB . 52495 1 752 . 1 . 1 215 215 LEU N N 15 118.478 0.032 . 1 . . . . . 207 LEU N . 52495 1 753 . 1 . 1 216 216 ASP H H 1 8.263 0.002 . 1 . . . . . 208 ASP H . 52495 1 754 . 1 . 1 216 216 ASP CA C 13 53.553 0.000 . 1 . . . . . 208 ASP CA . 52495 1 755 . 1 . 1 216 216 ASP CB C 13 41.102 0.000 . 1 . . . . . 208 ASP CB . 52495 1 756 . 1 . 1 216 216 ASP N N 15 123.230 0.004 . 1 . . . . . 208 ASP N . 52495 1 757 . 1 . 1 221 221 PRO C C 13 176.309 0.000 . 1 . . . . . 213 PRO C . 52495 1 758 . 1 . 1 221 221 PRO CA C 13 62.896 0.000 . 1 . . . . . 213 PRO CA . 52495 1 759 . 1 . 1 221 221 PRO CB C 13 32.010 0.000 . 1 . . . . . 213 PRO CB . 52495 1 760 . 1 . 1 222 222 LEU H H 1 8.760 0.004 . 1 . . . . . 214 LEU H . 52495 1 761 . 1 . 1 222 222 LEU C C 13 174.172 0.000 . 1 . . . . . 214 LEU C . 52495 1 762 . 1 . 1 222 222 LEU CA C 13 53.948 0.076 . 1 . . . . . 214 LEU CA . 52495 1 763 . 1 . 1 222 222 LEU CB C 13 43.649 0.006 . 1 . . . . . 214 LEU CB . 52495 1 764 . 1 . 1 222 222 LEU N N 15 122.057 0.015 . 1 . . . . . 214 LEU N . 52495 1 765 . 1 . 1 223 223 ARG H H 1 8.194 0.004 . 1 . . . . . 215 ARG H . 52495 1 766 . 1 . 1 223 223 ARG CA C 13 54.451 0.072 . 1 . . . . . 215 ARG CA . 52495 1 767 . 1 . 1 223 223 ARG CB C 13 31.832 0.000 . 1 . . . . . 215 ARG CB . 52495 1 768 . 1 . 1 223 223 ARG N N 15 125.175 0.024 . 1 . . . . . 215 ARG N . 52495 1 769 . 1 . 1 224 224 VAL H H 1 8.955 0.003 . 1 . . . . . 216 VAL H . 52495 1 770 . 1 . 1 224 224 VAL CA C 13 60.335 0.011 . 1 . . . . . 216 VAL CA . 52495 1 771 . 1 . 1 224 224 VAL CB C 13 32.207 0.000 . 1 . . . . . 216 VAL CB . 52495 1 772 . 1 . 1 224 224 VAL N N 15 128.282 0.014 . 1 . . . . . 216 VAL N . 52495 1 773 . 1 . 1 225 225 GLN H H 1 9.221 0.003 . 1 . . . . . 217 GLN H . 52495 1 774 . 1 . 1 225 225 GLN C C 13 174.789 0.000 . 1 . . . . . 217 GLN C . 52495 1 775 . 1 . 1 225 225 GLN CA C 13 53.670 0.026 . 1 . . . . . 217 GLN CA . 52495 1 776 . 1 . 1 225 225 GLN CB C 13 32.347 0.000 . 1 . . . . . 217 GLN CB . 52495 1 777 . 1 . 1 225 225 GLN N N 15 123.305 0.022 . 1 . . . . . 217 GLN N . 52495 1 778 . 1 . 1 226 226 ILE H H 1 9.156 0.003 . 1 . . . . . 218 ILE H . 52495 1 779 . 1 . 1 226 226 ILE C C 13 175.947 0.000 . 1 . . . . . 218 ILE C . 52495 1 780 . 1 . 1 226 226 ILE CA C 13 60.906 0.002 . 1 . . . . . 218 ILE CA . 52495 1 781 . 1 . 1 226 226 ILE CB C 13 39.297 0.020 . 1 . . . . . 218 ILE CB . 52495 1 782 . 1 . 1 226 226 ILE N N 15 122.259 0.004 . 1 . . . . . 218 ILE N . 52495 1 783 . 1 . 1 227 227 GLY H H 1 8.628 0.004 . 1 . . . . . 219 GLY H . 52495 1 784 . 1 . 1 227 227 GLY C C 13 172.401 0.000 . 1 . . . . . 219 GLY C . 52495 1 785 . 1 . 1 227 227 GLY CA C 13 43.737 0.006 . 1 . . . . . 219 GLY CA . 52495 1 786 . 1 . 1 227 227 GLY N N 15 118.234 0.015 . 1 . . . . . 219 GLY N . 52495 1 787 . 1 . 1 228 228 SER H H 1 8.922 0.003 . 1 . . . . . 220 SER H . 52495 1 788 . 1 . 1 228 228 SER CA C 13 60.800 0.000 . 1 . . . . . 220 SER CA . 52495 1 789 . 1 . 1 228 228 SER CB C 13 62.698 0.000 . 1 . . . . . 220 SER CB . 52495 1 790 . 1 . 1 228 228 SER N N 15 115.633 0.020 . 1 . . . . . 220 SER N . 52495 1 791 . 1 . 1 229 229 ASN C C 13 173.640 0.000 . 1 . . . . . 221 ASN C . 52495 1 792 . 1 . 1 230 230 ASN H H 1 6.576 0.003 . 1 . . . . . 222 ASN H . 52495 1 793 . 1 . 1 230 230 ASN CA C 13 52.240 0.066 . 1 . . . . . 222 ASN CA . 52495 1 794 . 1 . 1 230 230 ASN CB C 13 42.927 0.037 . 1 . . . . . 222 ASN CB . 52495 1 795 . 1 . 1 230 230 ASN N N 15 115.311 0.023 . 1 . . . . . 222 ASN N . 52495 1 796 . 1 . 1 231 231 ILE H H 1 8.609 0.001 . 1 . . . . . 223 ILE H . 52495 1 797 . 1 . 1 231 231 ILE CA C 13 58.596 0.080 . 1 . . . . . 223 ILE CA . 52495 1 798 . 1 . 1 231 231 ILE CB C 13 41.623 0.000 . 1 . . . . . 223 ILE CB . 52495 1 799 . 1 . 1 231 231 ILE N N 15 117.717 0.011 . 1 . . . . . 223 ILE N . 52495 1 800 . 1 . 1 232 232 ARG H H 1 9.379 0.003 . 1 . . . . . 224 ARG H . 52495 1 801 . 1 . 1 232 232 ARG CA C 13 53.421 0.078 . 1 . . . . . 224 ARG CA . 52495 1 802 . 1 . 1 232 232 ARG CB C 13 34.249 0.000 . 1 . . . . . 224 ARG CB . 52495 1 803 . 1 . 1 232 232 ARG N N 15 127.775 0.011 . 1 . . . . . 224 ARG N . 52495 1 804 . 1 . 1 233 233 ALA H H 1 9.822 0.002 . 1 . . . . . 225 ALA H . 52495 1 805 . 1 . 1 233 233 ALA C C 13 174.867 0.000 . 1 . . . . . 225 ALA C . 52495 1 806 . 1 . 1 233 233 ALA CA C 13 49.321 0.064 . 1 . . . . . 225 ALA CA . 52495 1 807 . 1 . 1 233 233 ALA CB C 13 21.795 0.000 . 1 . . . . . 225 ALA CB . 52495 1 808 . 1 . 1 233 233 ALA N N 15 128.077 0.033 . 1 . . . . . 225 ALA N . 52495 1 809 . 1 . 1 234 234 HIS H H 1 9.237 0.003 . 1 . . . . . 226 HIS H . 52495 1 810 . 1 . 1 234 234 HIS C C 13 175.721 0.000 . 1 . . . . . 226 HIS C . 52495 1 811 . 1 . 1 234 234 HIS CA C 13 54.475 0.093 . 1 . . . . . 226 HIS CA . 52495 1 812 . 1 . 1 234 234 HIS CB C 13 32.436 0.084 . 1 . . . . . 226 HIS CB . 52495 1 813 . 1 . 1 234 234 HIS N N 15 123.157 0.023 . 1 . . . . . 226 HIS N . 52495 1 814 . 1 . 1 235 235 VAL H H 1 8.570 0.002 . 1 . . . . . 227 VAL H . 52495 1 815 . 1 . 1 235 235 VAL C C 13 175.388 0.000 . 1 . . . . . 227 VAL C . 52495 1 816 . 1 . 1 235 235 VAL CA C 13 60.363 0.079 . 1 . . . . . 227 VAL CA . 52495 1 817 . 1 . 1 235 235 VAL CB C 13 32.933 0.000 . 1 . . . . . 227 VAL CB . 52495 1 818 . 1 . 1 235 235 VAL N N 15 125.244 0.015 . 1 . . . . . 227 VAL N . 52495 1 819 . 1 . 1 236 236 GLY H H 1 8.999 0.001 . 1 . . . . . 228 GLY H . 52495 1 820 . 1 . 1 236 236 GLY C C 13 175.296 0.000 . 1 . . . . . 228 GLY C . 52495 1 821 . 1 . 1 236 236 GLY CA C 13 46.975 0.046 . 1 . . . . . 228 GLY CA . 52495 1 822 . 1 . 1 236 236 GLY N N 15 116.822 0.023 . 1 . . . . . 228 GLY N . 52495 1 823 . 1 . 1 237 237 ASP H H 1 8.616 0.006 . 1 . . . . . 229 ASP H . 52495 1 824 . 1 . 1 237 237 ASP C C 13 174.306 0.000 . 1 . . . . . 229 ASP C . 52495 1 825 . 1 . 1 237 237 ASP CA C 13 54.555 0.088 . 1 . . . . . 229 ASP CA . 52495 1 826 . 1 . 1 237 237 ASP CB C 13 40.378 0.000 . 1 . . . . . 229 ASP CB . 52495 1 827 . 1 . 1 237 237 ASP N N 15 128.721 0.027 . 1 . . . . . 229 ASP N . 52495 1 828 . 1 . 1 238 238 PHE H H 1 8.250 0.004 . 1 . . . . . 230 PHE H . 52495 1 829 . 1 . 1 238 238 PHE CA C 13 55.956 0.001 . 1 . . . . . 230 PHE CA . 52495 1 830 . 1 . 1 238 238 PHE CB C 13 41.435 0.005 . 1 . . . . . 230 PHE CB . 52495 1 831 . 1 . 1 238 238 PHE N N 15 119.346 0.019 . 1 . . . . . 230 PHE N . 52495 1 832 . 1 . 1 239 239 ILE H H 1 9.151 0.004 . 1 . . . . . 231 ILE H . 52495 1 833 . 1 . 1 239 239 ILE CA C 13 61.012 0.072 . 1 . . . . . 231 ILE CA . 52495 1 834 . 1 . 1 239 239 ILE CB C 13 40.168 0.000 . 1 . . . . . 231 ILE CB . 52495 1 835 . 1 . 1 239 239 ILE N N 15 123.368 0.022 . 1 . . . . . 231 ILE N . 52495 1 836 . 1 . 1 240 240 PHE H H 1 9.112 0.002 . 1 . . . . . 232 PHE H . 52495 1 837 . 1 . 1 240 240 PHE C C 13 173.896 0.000 . 1 . . . . . 232 PHE C . 52495 1 838 . 1 . 1 240 240 PHE CA C 13 55.316 0.079 . 1 . . . . . 232 PHE CA . 52495 1 839 . 1 . 1 240 240 PHE CB C 13 42.704 0.023 . 1 . . . . . 232 PHE CB . 52495 1 840 . 1 . 1 240 240 PHE N N 15 130.361 0.020 . 1 . . . . . 232 PHE N . 52495 1 841 . 1 . 1 241 241 THR H H 1 8.602 0.002 . 1 . . . . . 233 THR H . 52495 1 842 . 1 . 1 241 241 THR CA C 13 60.665 0.072 . 1 . . . . . 233 THR CA . 52495 1 843 . 1 . 1 241 241 THR CB C 13 70.493 0.000 . 1 . . . . . 233 THR CB . 52495 1 844 . 1 . 1 241 241 THR N N 15 123.675 0.010 . 1 . . . . . 233 THR N . 52495 1 845 . 1 . 1 242 242 SER H H 1 8.636 0.002 . 1 . . . . . 234 SER H . 52495 1 846 . 1 . 1 242 242 SER C C 13 174.724 0.000 . 1 . . . . . 234 SER C . 52495 1 847 . 1 . 1 242 242 SER CA C 13 55.998 0.070 . 1 . . . . . 234 SER CA . 52495 1 848 . 1 . 1 242 242 SER CB C 13 65.409 0.023 . 1 . . . . . 234 SER CB . 52495 1 849 . 1 . 1 242 242 SER N N 15 116.068 0.029 . 1 . . . . . 234 SER N . 52495 1 850 . 1 . 1 243 243 LYS H H 1 7.957 0.003 . 1 . . . . . 235 LYS H . 52495 1 851 . 1 . 1 243 243 LYS C C 13 176.462 0.000 . 1 . . . . . 235 LYS C . 52495 1 852 . 1 . 1 243 243 LYS CA C 13 57.282 0.007 . 1 . . . . . 235 LYS CA . 52495 1 853 . 1 . 1 243 243 LYS CB C 13 32.699 0.028 . 1 . . . . . 235 LYS CB . 52495 1 854 . 1 . 1 243 243 LYS N N 15 126.909 0.023 . 1 . . . . . 235 LYS N . 52495 1 855 . 1 . 1 244 244 LEU H H 1 7.032 0.002 . 1 . . . . . 236 LEU H . 52495 1 856 . 1 . 1 244 244 LEU C C 13 177.658 0.000 . 1 . . . . . 236 LEU C . 52495 1 857 . 1 . 1 244 244 LEU CA C 13 52.880 0.002 . 1 . . . . . 236 LEU CA . 52495 1 858 . 1 . 1 244 244 LEU CB C 13 42.122 0.006 . 1 . . . . . 236 LEU CB . 52495 1 859 . 1 . 1 244 244 LEU N N 15 119.441 0.012 . 1 . . . . . 236 LEU N . 52495 1 860 . 1 . 1 245 245 VAL H H 1 8.509 0.002 . 1 . . . . . 237 VAL H . 52495 1 861 . 1 . 1 245 245 VAL C C 13 175.483 0.000 . 1 . . . . . 237 VAL C . 52495 1 862 . 1 . 1 245 245 VAL CA C 13 62.184 0.006 . 1 . . . . . 237 VAL CA . 52495 1 863 . 1 . 1 245 245 VAL CB C 13 31.363 0.035 . 1 . . . . . 237 VAL CB . 52495 1 864 . 1 . 1 245 245 VAL N N 15 121.780 0.014 . 1 . . . . . 237 VAL N . 52495 1 865 . 1 . 1 246 246 ASP H H 1 8.678 0.003 . 1 . . . . . 238 ASP H . 52495 1 866 . 1 . 1 246 246 ASP C C 13 175.306 0.000 . 1 . . . . . 238 ASP C . 52495 1 867 . 1 . 1 246 246 ASP CA C 13 52.974 0.088 . 1 . . . . . 238 ASP CA . 52495 1 868 . 1 . 1 246 246 ASP CB C 13 39.964 0.004 . 1 . . . . . 238 ASP CB . 52495 1 869 . 1 . 1 246 246 ASP N N 15 128.332 0.026 . 1 . . . . . 238 ASP N . 52495 1 870 . 1 . 1 247 247 GLY H H 1 7.703 0.002 . 1 . . . . . 239 GLY H . 52495 1 871 . 1 . 1 247 247 GLY C C 13 170.434 0.000 . 1 . . . . . 239 GLY C . 52495 1 872 . 1 . 1 247 247 GLY CA C 13 44.080 0.021 . 1 . . . . . 239 GLY CA . 52495 1 873 . 1 . 1 247 247 GLY N N 15 110.311 0.017 . 1 . . . . . 239 GLY N . 52495 1 874 . 1 . 1 248 248 ARG H H 1 7.580 0.002 . 1 . . . . . 240 ARG H . 52495 1 875 . 1 . 1 248 248 ARG C C 13 173.793 0.000 . 1 . . . . . 240 ARG C . 52495 1 876 . 1 . 1 248 248 ARG CA C 13 53.540 0.066 . 1 . . . . . 240 ARG CA . 52495 1 877 . 1 . 1 248 248 ARG CB C 13 29.884 0.034 . 1 . . . . . 240 ARG CB . 52495 1 878 . 1 . 1 248 248 ARG N N 15 120.028 0.025 . 1 . . . . . 240 ARG N . 52495 1 879 . 1 . 1 249 249 PHE H H 1 8.756 0.004 . 1 . . . . . 241 PHE H . 52495 1 880 . 1 . 1 249 249 PHE CA C 13 56.503 0.000 . 1 . . . . . 241 PHE CA . 52495 1 881 . 1 . 1 249 249 PHE CB C 13 40.699 0.000 . 1 . . . . . 241 PHE CB . 52495 1 882 . 1 . 1 249 249 PHE N N 15 129.201 0.012 . 1 . . . . . 241 PHE N . 52495 1 883 . 1 . 1 250 250 PRO C C 13 175.121 0.000 . 1 . . . . . 242 PRO C . 52495 1 884 . 1 . 1 250 250 PRO CA C 13 61.961 0.000 . 1 . . . . . 242 PRO CA . 52495 1 885 . 1 . 1 250 250 PRO CB C 13 32.004 0.000 . 1 . . . . . 242 PRO CB . 52495 1 886 . 1 . 1 251 251 ASP H H 1 8.168 0.002 . 1 . . . . . 243 ASP H . 52495 1 887 . 1 . 1 251 251 ASP CA C 13 52.614 0.003 . 1 . . . . . 243 ASP CA . 52495 1 888 . 1 . 1 251 251 ASP CB C 13 39.448 0.000 . 1 . . . . . 243 ASP CB . 52495 1 889 . 1 . 1 251 251 ASP N N 15 119.189 0.007 . 1 . . . . . 243 ASP N . 52495 1 890 . 1 . 1 252 252 TYR H H 1 8.706 0.002 . 1 . . . . . 244 TYR H . 52495 1 891 . 1 . 1 252 252 TYR C C 13 175.782 0.000 . 1 . . . . . 244 TYR C . 52495 1 892 . 1 . 1 252 252 TYR CA C 13 59.026 0.005 . 1 . . . . . 244 TYR CA . 52495 1 893 . 1 . 1 252 252 TYR CB C 13 37.565 0.000 . 1 . . . . . 244 TYR CB . 52495 1 894 . 1 . 1 252 252 TYR N N 15 126.724 0.021 . 1 . . . . . 244 TYR N . 52495 1 895 . 1 . 1 253 253 ARG H H 1 7.390 0.003 . 1 . . . . . 245 ARG H . 52495 1 896 . 1 . 1 253 253 ARG CA C 13 58.080 0.006 . 1 . . . . . 245 ARG CA . 52495 1 897 . 1 . 1 253 253 ARG CB C 13 28.205 0.000 . 1 . . . . . 245 ARG CB . 52495 1 898 . 1 . 1 253 253 ARG N N 15 120.601 0.015 . 1 . . . . . 245 ARG N . 52495 1 899 . 1 . 1 254 254 ARG H H 1 7.343 0.004 . 1 . . . . . 246 ARG H . 52495 1 900 . 1 . 1 254 254 ARG CA C 13 56.970 0.000 . 1 . . . . . 246 ARG CA . 52495 1 901 . 1 . 1 254 254 ARG CB C 13 29.679 0.000 . 1 . . . . . 246 ARG CB . 52495 1 902 . 1 . 1 254 254 ARG N N 15 115.160 0.009 . 1 . . . . . 246 ARG N . 52495 1 903 . 1 . 1 255 255 VAL H H 1 7.233 0.002 . 1 . . . . . 247 VAL H . 52495 1 904 . 1 . 1 255 255 VAL CA C 13 60.358 0.000 . 1 . . . . . 247 VAL CA . 52495 1 905 . 1 . 1 255 255 VAL N N 15 110.658 0.004 . 1 . . . . . 247 VAL N . 52495 1 906 . 1 . 1 256 256 LEU H H 1 6.704 0.002 . 1 . . . . . 248 LEU H . 52495 1 907 . 1 . 1 256 256 LEU CA C 13 53.321 0.000 . 1 . . . . . 248 LEU CA . 52495 1 908 . 1 . 1 256 256 LEU CB C 13 39.040 0.000 . 1 . . . . . 248 LEU CB . 52495 1 909 . 1 . 1 256 256 LEU N N 15 122.149 0.004 . 1 . . . . . 248 LEU N . 52495 1 910 . 1 . 1 260 260 PRO C C 13 177.244 0.000 . 1 . . . . . 252 PRO C . 52495 1 911 . 1 . 1 260 260 PRO CA C 13 63.479 0.000 . 1 . . . . . 252 PRO CA . 52495 1 912 . 1 . 1 260 260 PRO CB C 13 30.336 0.000 . 1 . . . . . 252 PRO CB . 52495 1 913 . 1 . 1 261 261 ASP H H 1 8.351 0.002 . 1 . . . . . 253 ASP H . 52495 1 914 . 1 . 1 261 261 ASP CA C 13 53.382 0.074 . 1 . . . . . 253 ASP CA . 52495 1 915 . 1 . 1 261 261 ASP CB C 13 40.571 0.000 . 1 . . . . . 253 ASP CB . 52495 1 916 . 1 . 1 261 261 ASP N N 15 120.068 0.030 . 1 . . . . . 253 ASP N . 52495 1 917 . 1 . 1 262 262 LYS H H 1 7.976 0.001 . 1 . . . . . 254 LYS H . 52495 1 918 . 1 . 1 262 262 LYS C C 13 174.996 0.000 . 1 . . . . . 254 LYS C . 52495 1 919 . 1 . 1 262 262 LYS CA C 13 55.346 0.071 . 1 . . . . . 254 LYS CA . 52495 1 920 . 1 . 1 262 262 LYS CB C 13 33.241 0.011 . 1 . . . . . 254 LYS CB . 52495 1 921 . 1 . 1 262 262 LYS N N 15 122.203 0.020 . 1 . . . . . 254 LYS N . 52495 1 922 . 1 . 1 263 263 HIS H H 1 8.417 0.002 . 1 . . . . . 255 HIS H . 52495 1 923 . 1 . 1 263 263 HIS C C 13 173.303 0.000 . 1 . . . . . 255 HIS C . 52495 1 924 . 1 . 1 263 263 HIS CA C 13 54.653 0.043 . 1 . . . . . 255 HIS CA . 52495 1 925 . 1 . 1 263 263 HIS CB C 13 32.798 0.052 . 1 . . . . . 255 HIS CB . 52495 1 926 . 1 . 1 263 263 HIS N N 15 122.117 0.010 . 1 . . . . . 255 HIS N . 52495 1 927 . 1 . 1 264 264 LEU H H 1 9.189 0.004 . 1 . . . . . 256 LEU H . 52495 1 928 . 1 . 1 264 264 LEU C C 13 175.031 0.000 . 1 . . . . . 256 LEU C . 52495 1 929 . 1 . 1 264 264 LEU CA C 13 53.363 0.006 . 1 . . . . . 256 LEU CA . 52495 1 930 . 1 . 1 264 264 LEU CB C 13 45.665 0.004 . 1 . . . . . 256 LEU CB . 52495 1 931 . 1 . 1 264 264 LEU N N 15 126.901 0.025 . 1 . . . . . 256 LEU N . 52495 1 932 . 1 . 1 265 265 GLU H H 1 8.927 0.002 . 1 . . . . . 257 GLU H . 52495 1 933 . 1 . 1 265 265 GLU C C 13 174.918 0.000 . 1 . . . . . 257 GLU C . 52495 1 934 . 1 . 1 265 265 GLU CA C 13 54.622 0.043 . 1 . . . . . 257 GLU CA . 52495 1 935 . 1 . 1 265 265 GLU CB C 13 32.655 0.000 . 1 . . . . . 257 GLU CB . 52495 1 936 . 1 . 1 265 265 GLU N N 15 125.162 0.025 . 1 . . . . . 257 GLU N . 52495 1 937 . 1 . 1 266 266 ALA H H 1 8.590 0.002 . 1 . . . . . 258 ALA H . 52495 1 938 . 1 . 1 266 266 ALA C C 13 176.080 0.000 . 1 . . . . . 258 ALA C . 52495 1 939 . 1 . 1 266 266 ALA CA C 13 50.147 0.009 . 1 . . . . . 258 ALA CA . 52495 1 940 . 1 . 1 266 266 ALA CB C 13 22.927 0.027 . 1 . . . . . 258 ALA CB . 52495 1 941 . 1 . 1 266 266 ALA N N 15 123.921 0.035 . 1 . . . . . 258 ALA N . 52495 1 942 . 1 . 1 267 267 GLY H H 1 8.506 0.004 . 1 . . . . . 259 GLY H . 52495 1 943 . 1 . 1 267 267 GLY C C 13 174.079 0.000 . 1 . . . . . 259 GLY C . 52495 1 944 . 1 . 1 267 267 GLY CA C 13 45.766 0.029 . 1 . . . . . 259 GLY CA . 52495 1 945 . 1 . 1 267 267 GLY N N 15 108.081 0.018 . 1 . . . . . 259 GLY N . 52495 1 946 . 1 . 1 268 268 CYS H H 1 8.506 0.003 . 1 . . . . . 260 CYS H . 52495 1 947 . 1 . 1 268 268 CYS C C 13 175.921 0.000 . 1 . . . . . 260 CYS C . 52495 1 948 . 1 . 1 268 268 CYS CA C 13 62.334 0.086 . 1 . . . . . 260 CYS CA . 52495 1 949 . 1 . 1 268 268 CYS CB C 13 27.948 0.000 . 1 . . . . . 260 CYS CB . 52495 1 950 . 1 . 1 268 268 CYS N N 15 126.764 0.014 . 1 . . . . . 260 CYS N . 52495 1 951 . 1 . 1 269 269 ASP H H 1 8.792 0.003 . 1 . . . . . 261 ASP H . 52495 1 952 . 1 . 1 269 269 ASP C C 13 178.368 0.000 . 1 . . . . . 261 ASP C . 52495 1 953 . 1 . 1 269 269 ASP CA C 13 57.586 0.084 . 1 . . . . . 261 ASP CA . 52495 1 954 . 1 . 1 269 269 ASP CB C 13 39.880 0.012 . 1 . . . . . 261 ASP CB . 52495 1 955 . 1 . 1 269 269 ASP N N 15 118.600 0.019 . 1 . . . . . 261 ASP N . 52495 1 956 . 1 . 1 270 270 LEU H H 1 7.843 0.004 . 1 . . . . . 262 LEU H . 52495 1 957 . 1 . 1 270 270 LEU CA C 13 57.503 0.006 . 1 . . . . . 262 LEU CA . 52495 1 958 . 1 . 1 270 270 LEU CB C 13 40.991 0.017 . 1 . . . . . 262 LEU CB . 52495 1 959 . 1 . 1 270 270 LEU N N 15 119.981 0.011 . 1 . . . . . 262 LEU N . 52495 1 960 . 1 . 1 271 271 LEU H H 1 7.812 0.008 . 1 . . . . . 263 LEU H . 52495 1 961 . 1 . 1 271 271 LEU C C 13 178.123 0.000 . 1 . . . . . 263 LEU C . 52495 1 962 . 1 . 1 271 271 LEU CA C 13 57.391 0.001 . 1 . . . . . 263 LEU CA . 52495 1 963 . 1 . 1 271 271 LEU CB C 13 41.611 0.000 . 1 . . . . . 263 LEU CB . 52495 1 964 . 1 . 1 271 271 LEU N N 15 118.927 0.011 . 1 . . . . . 263 LEU N . 52495 1 965 . 1 . 1 272 272 LYS H H 1 8.663 0.003 . 1 . . . . . 264 LYS H . 52495 1 966 . 1 . 1 272 272 LYS C C 13 178.328 0.000 . 1 . . . . . 264 LYS C . 52495 1 967 . 1 . 1 272 272 LYS CA C 13 60.069 0.077 . 1 . . . . . 264 LYS CA . 52495 1 968 . 1 . 1 272 272 LYS CB C 13 31.532 0.000 . 1 . . . . . 264 LYS CB . 52495 1 969 . 1 . 1 272 272 LYS N N 15 119.855 0.015 . 1 . . . . . 264 LYS N . 52495 1 970 . 1 . 1 273 273 GLN H H 1 8.182 0.004 . 1 . . . . . 265 GLN H . 52495 1 971 . 1 . 1 273 273 GLN CA C 13 57.996 0.068 . 1 . . . . . 265 GLN CA . 52495 1 972 . 1 . 1 273 273 GLN CB C 13 27.592 0.000 . 1 . . . . . 265 GLN CB . 52495 1 973 . 1 . 1 273 273 GLN N N 15 116.409 0.024 . 1 . . . . . 265 GLN N . 52495 1 974 . 1 . 1 274 274 ALA H H 1 7.448 0.010 . 1 . . . . . 266 ALA H . 52495 1 975 . 1 . 1 274 274 ALA CA C 13 54.757 0.089 . 1 . . . . . 266 ALA CA . 52495 1 976 . 1 . 1 274 274 ALA CB C 13 18.527 0.000 . 1 . . . . . 266 ALA CB . 52495 1 977 . 1 . 1 274 274 ALA N N 15 121.331 0.013 . 1 . . . . . 266 ALA N . 52495 1 978 . 1 . 1 275 275 PHE H H 1 8.459 0.005 . 1 . . . . . 267 PHE H . 52495 1 979 . 1 . 1 275 275 PHE CA C 13 62.374 0.008 . 1 . . . . . 267 PHE CA . 52495 1 980 . 1 . 1 275 275 PHE CB C 13 37.700 0.000 . 1 . . . . . 267 PHE CB . 52495 1 981 . 1 . 1 275 275 PHE N N 15 116.526 0.016 . 1 . . . . . 267 PHE N . 52495 1 982 . 1 . 1 276 276 ALA H H 1 8.231 0.005 . 1 . . . . . 268 ALA H . 52495 1 983 . 1 . 1 276 276 ALA CA C 13 54.681 0.094 . 1 . . . . . 268 ALA CA . 52495 1 984 . 1 . 1 276 276 ALA CB C 13 17.017 0.000 . 1 . . . . . 268 ALA CB . 52495 1 985 . 1 . 1 276 276 ALA N N 15 119.339 0.022 . 1 . . . . . 268 ALA N . 52495 1 986 . 1 . 1 277 277 ARG H H 1 7.568 0.006 . 1 . . . . . 269 ARG H . 52495 1 987 . 1 . 1 277 277 ARG CA C 13 59.203 0.071 . 1 . . . . . 269 ARG CA . 52495 1 988 . 1 . 1 277 277 ARG CB C 13 31.007 0.000 . 1 . . . . . 269 ARG CB . 52495 1 989 . 1 . 1 277 277 ARG N N 15 117.228 0.016 . 1 . . . . . 269 ARG N . 52495 1 990 . 1 . 1 278 278 ALA H H 1 7.999 0.004 . 1 . . . . . 270 ALA H . 52495 1 991 . 1 . 1 278 278 ALA CA C 13 54.374 0.084 . 1 . . . . . 270 ALA CA . 52495 1 992 . 1 . 1 278 278 ALA N N 15 120.424 0.005 . 1 . . . . . 270 ALA N . 52495 1 993 . 1 . 1 279 279 ALA H H 1 7.847 0.003 . 1 . . . . . 271 ALA H . 52495 1 994 . 1 . 1 279 279 ALA CA C 13 53.384 0.071 . 1 . . . . . 271 ALA CA . 52495 1 995 . 1 . 1 279 279 ALA CB C 13 18.426 0.041 . 1 . . . . . 271 ALA CB . 52495 1 996 . 1 . 1 279 279 ALA N N 15 113.518 0.028 . 1 . . . . . 271 ALA N . 52495 1 997 . 1 . 1 280 280 ILE H H 1 7.487 0.002 . 1 . . . . . 272 ILE H . 52495 1 998 . 1 . 1 280 280 ILE C C 13 177.646 0.000 . 1 . . . . . 272 ILE C . 52495 1 999 . 1 . 1 280 280 ILE CA C 13 64.302 0.001 . 1 . . . . . 272 ILE CA . 52495 1 1000 . 1 . 1 280 280 ILE CB C 13 37.808 0.000 . 1 . . . . . 272 ILE CB . 52495 1 1001 . 1 . 1 280 280 ILE N N 15 119.225 0.010 . 1 . . . . . 272 ILE N . 52495 1 1002 . 1 . 1 281 281 LEU H H 1 6.985 0.006 . 1 . . . . . 273 LEU H . 52495 1 1003 . 1 . 1 281 281 LEU C C 13 173.362 0.000 . 1 . . . . . 273 LEU C . 52495 1 1004 . 1 . 1 281 281 LEU CA C 13 52.956 0.068 . 1 . . . . . 273 LEU CA . 52495 1 1005 . 1 . 1 281 281 LEU CB C 13 39.180 0.000 . 1 . . . . . 273 LEU CB . 52495 1 1006 . 1 . 1 281 281 LEU N N 15 116.058 0.020 . 1 . . . . . 273 LEU N . 52495 1 1007 . 1 . 1 282 282 SER H H 1 6.965 0.003 . 1 . . . . . 274 SER H . 52495 1 1008 . 1 . 1 282 282 SER C C 13 174.994 0.000 . 1 . . . . . 274 SER C . 52495 1 1009 . 1 . 1 282 282 SER CA C 13 57.438 0.052 . 1 . . . . . 274 SER CA . 52495 1 1010 . 1 . 1 282 282 SER CB C 13 65.238 0.024 . 1 . . . . . 274 SER CB . 52495 1 1011 . 1 . 1 282 282 SER N N 15 110.483 0.016 . 1 . . . . . 274 SER N . 52495 1 1012 . 1 . 1 283 283 ASN H H 1 9.043 0.002 . 1 . . . . . 275 ASN H . 52495 1 1013 . 1 . 1 283 283 ASN CA C 13 53.620 0.000 . 1 . . . . . 275 ASN CA . 52495 1 1014 . 1 . 1 283 283 ASN CB C 13 39.303 0.000 . 1 . . . . . 275 ASN CB . 52495 1 1015 . 1 . 1 283 283 ASN N N 15 122.028 0.031 . 1 . . . . . 275 ASN N . 52495 1 1016 . 1 . 1 284 284 GLU C C 13 176.795 0.000 . 1 . . . . . 276 GLU C . 52495 1 1017 . 1 . 1 284 284 GLU CA C 13 58.621 0.000 . 1 . . . . . 276 GLU CA . 52495 1 1018 . 1 . 1 285 285 LYS H H 1 8.137 0.003 . 1 . . . . . 277 LYS H . 52495 1 1019 . 1 . 1 285 285 LYS C C 13 177.242 0.000 . 1 . . . . . 277 LYS C . 52495 1 1020 . 1 . 1 285 285 LYS CA C 13 57.283 0.084 . 1 . . . . . 277 LYS CA . 52495 1 1021 . 1 . 1 285 285 LYS CB C 13 31.771 0.000 . 1 . . . . . 277 LYS CB . 52495 1 1022 . 1 . 1 285 285 LYS N N 15 117.569 0.021 . 1 . . . . . 277 LYS N . 52495 1 1023 . 1 . 1 286 286 PHE H H 1 7.131 0.004 . 1 . . . . . 278 PHE H . 52495 1 1024 . 1 . 1 286 286 PHE C C 13 174.815 0.000 . 1 . . . . . 278 PHE C . 52495 1 1025 . 1 . 1 286 286 PHE CA C 13 57.237 0.102 . 1 . . . . . 278 PHE CA . 52495 1 1026 . 1 . 1 286 286 PHE CB C 13 39.480 0.005 . 1 . . . . . 278 PHE CB . 52495 1 1027 . 1 . 1 286 286 PHE N N 15 115.305 0.018 . 1 . . . . . 278 PHE N . 52495 1 1028 . 1 . 1 287 287 ARG H H 1 8.455 0.004 . 1 . . . . . 279 ARG H . 52495 1 1029 . 1 . 1 287 287 ARG CA C 13 55.109 0.080 . 1 . . . . . 279 ARG CA . 52495 1 1030 . 1 . 1 287 287 ARG CB C 13 26.870 0.000 . 1 . . . . . 279 ARG CB . 52495 1 1031 . 1 . 1 287 287 ARG N N 15 116.119 0.026 . 1 . . . . . 279 ARG N . 52495 1 1032 . 1 . 1 288 288 GLY H H 1 7.302 0.005 . 1 . . . . . 280 GLY H . 52495 1 1033 . 1 . 1 288 288 GLY CA C 13 46.104 0.013 . 1 . . . . . 280 GLY CA . 52495 1 1034 . 1 . 1 288 288 GLY N N 15 104.417 0.017 . 1 . . . . . 280 GLY N . 52495 1 1035 . 1 . 1 289 289 VAL H H 1 9.141 0.003 . 1 . . . . . 281 VAL H . 52495 1 1036 . 1 . 1 289 289 VAL C C 13 173.535 0.000 . 1 . . . . . 281 VAL C . 52495 1 1037 . 1 . 1 289 289 VAL CA C 13 58.929 0.087 . 1 . . . . . 281 VAL CA . 52495 1 1038 . 1 . 1 289 289 VAL CB C 13 34.300 0.039 . 1 . . . . . 281 VAL CB . 52495 1 1039 . 1 . 1 289 289 VAL N N 15 119.105 0.005 . 1 . . . . . 281 VAL N . 52495 1 1040 . 1 . 1 290 290 ARG H H 1 9.027 0.002 . 1 . . . . . 282 ARG H . 52495 1 1041 . 1 . 1 290 290 ARG CA C 13 55.047 0.002 . 1 . . . . . 282 ARG CA . 52495 1 1042 . 1 . 1 290 290 ARG CB C 13 32.094 0.086 . 1 . . . . . 282 ARG CB . 52495 1 1043 . 1 . 1 290 290 ARG N N 15 122.608 0.018 . 1 . . . . . 282 ARG N . 52495 1 1044 . 1 . 1 291 291 LEU H H 1 9.401 0.002 . 1 . . . . . 283 LEU H . 52495 1 1045 . 1 . 1 291 291 LEU C C 13 175.120 0.000 . 1 . . . . . 283 LEU C . 52495 1 1046 . 1 . 1 291 291 LEU CA C 13 53.961 0.003 . 1 . . . . . 283 LEU CA . 52495 1 1047 . 1 . 1 291 291 LEU CB C 13 42.360 0.008 . 1 . . . . . 283 LEU CB . 52495 1 1048 . 1 . 1 291 291 LEU N N 15 125.442 0.011 . 1 . . . . . 283 LEU N . 52495 1 1049 . 1 . 1 292 292 TYR H H 1 9.295 0.002 . 1 . . . . . 284 TYR H . 52495 1 1050 . 1 . 1 292 292 TYR C C 13 175.612 0.000 . 1 . . . . . 284 TYR C . 52495 1 1051 . 1 . 1 292 292 TYR CA C 13 56.544 0.072 . 1 . . . . . 284 TYR CA . 52495 1 1052 . 1 . 1 292 292 TYR CB C 13 39.251 0.045 . 1 . . . . . 284 TYR CB . 52495 1 1053 . 1 . 1 292 292 TYR N N 15 122.326 0.020 . 1 . . . . . 284 TYR N . 52495 1 1054 . 1 . 1 293 293 VAL H H 1 8.697 0.002 . 1 . . . . . 285 VAL H . 52495 1 1055 . 1 . 1 293 293 VAL C C 13 173.421 0.000 . 1 . . . . . 285 VAL C . 52495 1 1056 . 1 . 1 293 293 VAL CA C 13 59.589 0.074 . 1 . . . . . 285 VAL CA . 52495 1 1057 . 1 . 1 293 293 VAL CB C 13 32.177 0.041 . 1 . . . . . 285 VAL CB . 52495 1 1058 . 1 . 1 293 293 VAL N N 15 127.233 0.015 . 1 . . . . . 285 VAL N . 52495 1 1059 . 1 . 1 294 294 SER H H 1 8.374 0.001 . 1 . . . . . 286 SER H . 52495 1 1060 . 1 . 1 294 294 SER C C 13 173.410 0.000 . 1 . . . . . 286 SER C . 52495 1 1061 . 1 . 1 294 294 SER CA C 13 56.950 0.002 . 1 . . . . . 286 SER CA . 52495 1 1062 . 1 . 1 294 294 SER CB C 13 64.047 0.011 . 1 . . . . . 286 SER CB . 52495 1 1063 . 1 . 1 294 294 SER N N 15 118.005 0.022 . 1 . . . . . 286 SER N . 52495 1 1064 . 1 . 1 295 295 GLU H H 1 8.584 0.001 . 1 . . . . . 287 GLU H . 52495 1 1065 . 1 . 1 295 295 GLU C C 13 176.946 0.000 . 1 . . . . . 287 GLU C . 52495 1 1066 . 1 . 1 295 295 GLU CA C 13 58.908 0.007 . 1 . . . . . 287 GLU CA . 52495 1 1067 . 1 . 1 295 295 GLU CB C 13 28.529 0.039 . 1 . . . . . 287 GLU CB . 52495 1 1068 . 1 . 1 295 295 GLU N N 15 120.993 0.007 . 1 . . . . . 287 GLU N . 52495 1 1069 . 1 . 1 296 296 ASN H H 1 9.304 0.003 . 1 . . . . . 288 ASN H . 52495 1 1070 . 1 . 1 296 296 ASN C C 13 174.978 0.000 . 1 . . . . . 288 ASN C . 52495 1 1071 . 1 . 1 296 296 ASN CA C 13 54.659 0.047 . 1 . . . . . 288 ASN CA . 52495 1 1072 . 1 . 1 296 296 ASN CB C 13 38.082 0.000 . 1 . . . . . 288 ASN CB . 52495 1 1073 . 1 . 1 296 296 ASN N N 15 120.624 0.005 . 1 . . . . . 288 ASN N . 52495 1 1074 . 1 . 1 297 297 GLN H H 1 8.483 0.004 . 1 . . . . . 289 GLN H . 52495 1 1075 . 1 . 1 297 297 GLN C C 13 171.796 0.000 . 1 . . . . . 289 GLN C . 52495 1 1076 . 1 . 1 297 297 GLN CA C 13 56.328 0.069 . 1 . . . . . 289 GLN CA . 52495 1 1077 . 1 . 1 297 297 GLN CB C 13 33.083 0.048 . 1 . . . . . 289 GLN CB . 52495 1 1078 . 1 . 1 297 297 GLN N N 15 121.094 0.021 . 1 . . . . . 289 GLN N . 52495 1 1079 . 1 . 1 298 298 LEU H H 1 8.549 0.004 . 1 . . . . . 290 LEU H . 52495 1 1080 . 1 . 1 298 298 LEU C C 13 173.441 0.000 . 1 . . . . . 290 LEU C . 52495 1 1081 . 1 . 1 298 298 LEU CA C 13 52.625 0.008 . 1 . . . . . 290 LEU CA . 52495 1 1082 . 1 . 1 298 298 LEU CB C 13 45.637 0.022 . 1 . . . . . 290 LEU CB . 52495 1 1083 . 1 . 1 298 298 LEU N N 15 125.025 0.021 . 1 . . . . . 290 LEU N . 52495 1 1084 . 1 . 1 299 299 LYS H H 1 8.841 0.003 . 1 . . . . . 291 LYS H . 52495 1 1085 . 1 . 1 299 299 LYS C C 13 174.995 0.000 . 1 . . . . . 291 LYS C . 52495 1 1086 . 1 . 1 299 299 LYS CA C 13 53.746 0.005 . 1 . . . . . 291 LYS CA . 52495 1 1087 . 1 . 1 299 299 LYS CB C 13 34.274 0.083 . 1 . . . . . 291 LYS CB . 52495 1 1088 . 1 . 1 299 299 LYS N N 15 127.370 0.019 . 1 . . . . . 291 LYS N . 52495 1 1089 . 1 . 1 300 300 ILE H H 1 9.273 0.003 . 1 . . . . . 292 ILE H . 52495 1 1090 . 1 . 1 300 300 ILE C C 13 175.619 0.000 . 1 . . . . . 292 ILE C . 52495 1 1091 . 1 . 1 300 300 ILE CA C 13 59.352 0.002 . 1 . . . . . 292 ILE CA . 52495 1 1092 . 1 . 1 300 300 ILE CB C 13 40.170 0.016 . 1 . . . . . 292 ILE CB . 52495 1 1093 . 1 . 1 300 300 ILE N N 15 128.611 0.020 . 1 . . . . . 292 ILE N . 52495 1 1094 . 1 . 1 301 301 THR H H 1 9.281 0.001 . 1 . . . . . 293 THR H . 52495 1 1095 . 1 . 1 301 301 THR C C 13 173.281 0.000 . 1 . . . . . 293 THR C . 52495 1 1096 . 1 . 1 301 301 THR CA C 13 59.149 0.001 . 1 . . . . . 293 THR CA . 52495 1 1097 . 1 . 1 301 301 THR CB C 13 72.249 0.000 . 1 . . . . . 293 THR CB . 52495 1 1098 . 1 . 1 301 301 THR N N 15 117.962 0.010 . 1 . . . . . 293 THR N . 52495 1 1099 . 1 . 1 302 302 ALA H H 1 8.547 0.003 . 1 . . . . . 294 ALA H . 52495 1 1100 . 1 . 1 302 302 ALA C C 13 175.286 0.000 . 1 . . . . . 294 ALA C . 52495 1 1101 . 1 . 1 302 302 ALA CA C 13 50.706 0.006 . 1 . . . . . 294 ALA CA . 52495 1 1102 . 1 . 1 302 302 ALA CB C 13 23.810 0.000 . 1 . . . . . 294 ALA CB . 52495 1 1103 . 1 . 1 302 302 ALA N N 15 123.366 0.020 . 1 . . . . . 294 ALA N . 52495 1 1104 . 1 . 1 303 303 ASN H H 1 8.107 0.002 . 1 . . . . . 295 ASN H . 52495 1 1105 . 1 . 1 303 303 ASN C C 13 173.698 0.000 . 1 . . . . . 295 ASN C . 52495 1 1106 . 1 . 1 303 303 ASN CA C 13 52.685 0.073 . 1 . . . . . 295 ASN CA . 52495 1 1107 . 1 . 1 303 303 ASN CB C 13 42.214 0.058 . 1 . . . . . 295 ASN CB . 52495 1 1108 . 1 . 1 303 303 ASN N N 15 116.642 0.016 . 1 . . . . . 295 ASN N . 52495 1 1109 . 1 . 1 304 304 ASN H H 1 7.521 0.004 . 1 . . . . . 296 ASN H . 52495 1 1110 . 1 . 1 304 304 ASN CA C 13 50.772 0.000 . 1 . . . . . 296 ASN CA . 52495 1 1111 . 1 . 1 304 304 ASN CB C 13 37.667 0.000 . 1 . . . . . 296 ASN CB . 52495 1 1112 . 1 . 1 304 304 ASN N N 15 116.698 0.019 . 1 . . . . . 296 ASN N . 52495 1 1113 . 1 . 1 305 305 PRO C C 13 177.395 0.000 . 1 . . . . . 297 PRO C . 52495 1 1114 . 1 . 1 305 305 PRO CA C 13 64.853 0.000 . 1 . . . . . 297 PRO CA . 52495 1 1115 . 1 . 1 305 305 PRO CB C 13 30.877 0.000 . 1 . . . . . 297 PRO CB . 52495 1 1116 . 1 . 1 306 306 GLU H H 1 7.884 0.002 . 1 . . . . . 298 GLU H . 52495 1 1117 . 1 . 1 306 306 GLU C C 13 175.283 0.000 . 1 . . . . . 298 GLU C . 52495 1 1118 . 1 . 1 306 306 GLU CA C 13 56.825 0.073 . 1 . . . . . 298 GLU CA . 52495 1 1119 . 1 . 1 306 306 GLU CB C 13 27.628 0.000 . 1 . . . . . 298 GLU CB . 52495 1 1120 . 1 . 1 306 306 GLU N N 15 117.230 0.009 . 1 . . . . . 298 GLU N . 52495 1 1121 . 1 . 1 307 307 GLN H H 1 8.436 0.002 . 1 . . . . . 299 GLN H . 52495 1 1122 . 1 . 1 307 307 GLN C C 13 175.766 0.000 . 1 . . . . . 299 GLN C . 52495 1 1123 . 1 . 1 307 307 GLN CA C 13 56.792 0.079 . 1 . . . . . 299 GLN CA . 52495 1 1124 . 1 . 1 307 307 GLN CB C 13 24.617 0.000 . 1 . . . . . 299 GLN CB . 52495 1 1125 . 1 . 1 307 307 GLN N N 15 112.521 0.018 . 1 . . . . . 299 GLN N . 52495 1 1126 . 1 . 1 308 308 GLU H H 1 7.906 0.005 . 1 . . . . . 300 GLU H . 52495 1 1127 . 1 . 1 308 308 GLU C C 13 175.849 0.000 . 1 . . . . . 300 GLU C . 52495 1 1128 . 1 . 1 308 308 GLU CA C 13 55.722 0.000 . 1 . . . . . 300 GLU CA . 52495 1 1129 . 1 . 1 308 308 GLU CB C 13 29.536 0.018 . 1 . . . . . 300 GLU CB . 52495 1 1130 . 1 . 1 308 308 GLU N N 15 120.771 0.024 . 1 . . . . . 300 GLU N . 52495 1 1131 . 1 . 1 309 309 GLU H H 1 7.976 0.002 . 1 . . . . . 301 GLU H . 52495 1 1132 . 1 . 1 309 309 GLU C C 13 174.204 0.000 . 1 . . . . . 301 GLU C . 52495 1 1133 . 1 . 1 309 309 GLU CA C 13 54.715 0.067 . 1 . . . . . 301 GLU CA . 52495 1 1134 . 1 . 1 309 309 GLU CB C 13 34.477 0.018 . 1 . . . . . 301 GLU CB . 52495 1 1135 . 1 . 1 309 309 GLU N N 15 117.446 0.027 . 1 . . . . . 301 GLU N . 52495 1 1136 . 1 . 1 310 310 ALA H H 1 9.007 0.002 . 1 . . . . . 302 ALA H . 52495 1 1137 . 1 . 1 310 310 ALA C C 13 176.005 0.000 . 1 . . . . . 302 ALA C . 52495 1 1138 . 1 . 1 310 310 ALA CA C 13 49.702 0.000 . 1 . . . . . 302 ALA CA . 52495 1 1139 . 1 . 1 310 310 ALA CB C 13 23.654 0.017 . 1 . . . . . 302 ALA CB . 52495 1 1140 . 1 . 1 310 310 ALA N N 15 125.858 0.011 . 1 . . . . . 302 ALA N . 52495 1 1141 . 1 . 1 311 311 GLU H H 1 8.651 0.001 . 1 . . . . . 303 GLU H . 52495 1 1142 . 1 . 1 311 311 GLU C C 13 173.660 0.000 . 1 . . . . . 303 GLU C . 52495 1 1143 . 1 . 1 311 311 GLU CA C 13 55.129 0.071 . 1 . . . . . 303 GLU CA . 52495 1 1144 . 1 . 1 311 311 GLU CB C 13 33.440 0.000 . 1 . . . . . 303 GLU CB . 52495 1 1145 . 1 . 1 311 311 GLU N N 15 122.446 0.016 . 1 . . . . . 303 GLU N . 52495 1 1146 . 1 . 1 312 312 GLU H H 1 8.844 0.002 . 1 . . . . . 304 GLU H . 52495 1 1147 . 1 . 1 312 312 GLU C C 13 175.327 0.000 . 1 . . . . . 304 GLU C . 52495 1 1148 . 1 . 1 312 312 GLU CA C 13 54.318 0.002 . 1 . . . . . 304 GLU CA . 52495 1 1149 . 1 . 1 312 312 GLU CB C 13 33.474 0.000 . 1 . . . . . 304 GLU CB . 52495 1 1150 . 1 . 1 312 312 GLU N N 15 126.061 0.009 . 1 . . . . . 304 GLU N . 52495 1 1151 . 1 . 1 313 313 ILE H H 1 7.455 0.003 . 1 . . . . . 305 ILE H . 52495 1 1152 . 1 . 1 313 313 ILE C C 13 175.024 0.000 . 1 . . . . . 305 ILE C . 52495 1 1153 . 1 . 1 313 313 ILE CA C 13 59.996 0.001 . 1 . . . . . 305 ILE CA . 52495 1 1154 . 1 . 1 313 313 ILE CB C 13 38.813 0.021 . 1 . . . . . 305 ILE CB . 52495 1 1155 . 1 . 1 313 313 ILE N N 15 121.143 0.015 . 1 . . . . . 305 ILE N . 52495 1 1156 . 1 . 1 314 314 LEU H H 1 9.086 0.003 . 1 . . . . . 306 LEU H . 52495 1 1157 . 1 . 1 314 314 LEU C C 13 175.579 0.000 . 1 . . . . . 306 LEU C . 52495 1 1158 . 1 . 1 314 314 LEU CA C 13 53.823 0.005 . 1 . . . . . 306 LEU CA . 52495 1 1159 . 1 . 1 314 314 LEU CB C 13 44.392 0.008 . 1 . . . . . 306 LEU CB . 52495 1 1160 . 1 . 1 314 314 LEU N N 15 126.727 0.025 . 1 . . . . . 306 LEU N . 52495 1 1161 . 1 . 1 315 315 ASP H H 1 8.310 0.002 . 1 . . . . . 307 ASP H . 52495 1 1162 . 1 . 1 315 315 ASP C C 13 175.389 0.000 . 1 . . . . . 307 ASP C . 52495 1 1163 . 1 . 1 315 315 ASP CA C 13 54.448 0.002 . 1 . . . . . 307 ASP CA . 52495 1 1164 . 1 . 1 315 315 ASP CB C 13 40.324 0.020 . 1 . . . . . 307 ASP CB . 52495 1 1165 . 1 . 1 315 315 ASP N N 15 122.461 0.018 . 1 . . . . . 307 ASP N . 52495 1 1166 . 1 . 1 316 316 VAL H H 1 7.382 0.002 . 1 . . . . . 308 VAL H . 52495 1 1167 . 1 . 1 316 316 VAL C C 13 174.727 0.000 . 1 . . . . . 308 VAL C . 52495 1 1168 . 1 . 1 316 316 VAL CA C 13 58.650 0.001 . 1 . . . . . 308 VAL CA . 52495 1 1169 . 1 . 1 316 316 VAL CB C 13 34.634 0.005 . 1 . . . . . 308 VAL CB . 52495 1 1170 . 1 . 1 316 316 VAL N N 15 114.329 0.022 . 1 . . . . . 308 VAL N . 52495 1 1171 . 1 . 1 317 317 THR H H 1 8.685 0.002 . 1 . . . . . 309 THR H . 52495 1 1172 . 1 . 1 317 317 THR C C 13 174.189 0.000 . 1 . . . . . 309 THR C . 52495 1 1173 . 1 . 1 317 317 THR CA C 13 61.932 0.001 . 1 . . . . . 309 THR CA . 52495 1 1174 . 1 . 1 317 317 THR CB C 13 68.850 0.011 . 1 . . . . . 309 THR CB . 52495 1 1175 . 1 . 1 317 317 THR N N 15 117.303 0.024 . 1 . . . . . 309 THR N . 52495 1 1176 . 1 . 1 318 318 TYR H H 1 8.809 0.005 . 1 . . . . . 310 TYR H . 52495 1 1177 . 1 . 1 318 318 TYR C C 13 173.643 0.000 . 1 . . . . . 310 TYR C . 52495 1 1178 . 1 . 1 318 318 TYR CA C 13 58.652 0.059 . 1 . . . . . 310 TYR CA . 52495 1 1179 . 1 . 1 318 318 TYR CB C 13 40.168 0.000 . 1 . . . . . 310 TYR CB . 52495 1 1180 . 1 . 1 318 318 TYR N N 15 126.501 0.029 . 1 . . . . . 310 TYR N . 52495 1 1181 . 1 . 1 319 319 SER H H 1 8.241 0.004 . 1 . . . . . 311 SER H . 52495 1 1182 . 1 . 1 319 319 SER C C 13 172.883 0.000 . 1 . . . . . 311 SER C . 52495 1 1183 . 1 . 1 319 319 SER CA C 13 56.109 0.054 . 1 . . . . . 311 SER CA . 52495 1 1184 . 1 . 1 319 319 SER CB C 13 63.736 0.000 . 1 . . . . . 311 SER CB . 52495 1 1185 . 1 . 1 319 319 SER N N 15 123.581 0.016 . 1 . . . . . 311 SER N . 52495 1 1186 . 1 . 1 320 320 GLY H H 1 6.583 0.004 . 1 . . . . . 312 GLY H . 52495 1 1187 . 1 . 1 320 320 GLY C C 13 171.850 0.000 . 1 . . . . . 312 GLY C . 52495 1 1188 . 1 . 1 320 320 GLY CA C 13 43.627 0.002 . 1 . . . . . 312 GLY CA . 52495 1 1189 . 1 . 1 320 320 GLY N N 15 110.469 0.017 . 1 . . . . . 312 GLY N . 52495 1 1190 . 1 . 1 321 321 ALA H H 1 7.778 0.003 . 1 . . . . . 313 ALA H . 52495 1 1191 . 1 . 1 321 321 ALA C C 13 177.927 0.000 . 1 . . . . . 313 ALA C . 52495 1 1192 . 1 . 1 321 321 ALA CA C 13 51.489 0.002 . 1 . . . . . 313 ALA CA . 52495 1 1193 . 1 . 1 321 321 ALA CB C 13 18.887 0.013 . 1 . . . . . 313 ALA CB . 52495 1 1194 . 1 . 1 321 321 ALA N N 15 121.159 0.013 . 1 . . . . . 313 ALA N . 52495 1 1195 . 1 . 1 322 322 GLU H H 1 8.455 0.001 . 1 . . . . . 314 GLU H . 52495 1 1196 . 1 . 1 322 322 GLU C C 13 176.953 0.000 . 1 . . . . . 314 GLU C . 52495 1 1197 . 1 . 1 322 322 GLU CA C 13 56.403 0.066 . 1 . . . . . 314 GLU CA . 52495 1 1198 . 1 . 1 322 322 GLU CB C 13 29.112 0.032 . 1 . . . . . 314 GLU CB . 52495 1 1199 . 1 . 1 322 322 GLU N N 15 121.033 0.025 . 1 . . . . . 314 GLU N . 52495 1 1200 . 1 . 1 323 323 MET H H 1 7.948 0.001 . 1 . . . . . 315 MET H . 52495 1 1201 . 1 . 1 323 323 MET C C 13 172.278 0.000 . 1 . . . . . 315 MET C . 52495 1 1202 . 1 . 1 323 323 MET CA C 13 55.166 0.000 . 1 . . . . . 315 MET CA . 52495 1 1203 . 1 . 1 323 323 MET CB C 13 35.473 0.014 . 1 . . . . . 315 MET CB . 52495 1 1204 . 1 . 1 323 323 MET N N 15 118.378 0.018 . 1 . . . . . 315 MET N . 52495 1 1205 . 1 . 1 324 324 GLU H H 1 8.057 0.001 . 1 . . . . . 316 GLU H . 52495 1 1206 . 1 . 1 324 324 GLU C C 13 174.784 0.000 . 1 . . . . . 316 GLU C . 52495 1 1207 . 1 . 1 324 324 GLU CA C 13 53.621 0.006 . 1 . . . . . 316 GLU CA . 52495 1 1208 . 1 . 1 324 324 GLU CB C 13 32.469 0.031 . 1 . . . . . 316 GLU CB . 52495 1 1209 . 1 . 1 324 324 GLU N N 15 122.115 0.013 . 1 . . . . . 316 GLU N . 52495 1 1210 . 1 . 1 325 325 ILE H H 1 8.899 0.003 . 1 . . . . . 317 ILE H . 52495 1 1211 . 1 . 1 325 325 ILE C C 13 172.061 0.000 . 1 . . . . . 317 ILE C . 52495 1 1212 . 1 . 1 325 325 ILE CA C 13 60.167 0.079 . 1 . . . . . 317 ILE CA . 52495 1 1213 . 1 . 1 325 325 ILE CB C 13 41.128 0.003 . 1 . . . . . 317 ILE CB . 52495 1 1214 . 1 . 1 325 325 ILE N N 15 123.741 0.016 . 1 . . . . . 317 ILE N . 52495 1 1215 . 1 . 1 326 326 GLY H H 1 8.483 0.001 . 1 . . . . . 318 GLY H . 52495 1 1216 . 1 . 1 326 326 GLY C C 13 172.472 0.000 . 1 . . . . . 318 GLY C . 52495 1 1217 . 1 . 1 326 326 GLY CA C 13 43.626 0.005 . 1 . . . . . 318 GLY CA . 52495 1 1218 . 1 . 1 326 326 GLY N N 15 114.238 0.015 . 1 . . . . . 318 GLY N . 52495 1 1219 . 1 . 1 327 327 PHE H H 1 8.522 0.005 . 1 . . . . . 319 PHE H . 52495 1 1220 . 1 . 1 327 327 PHE C C 13 174.746 0.000 . 1 . . . . . 319 PHE C . 52495 1 1221 . 1 . 1 327 327 PHE CA C 13 57.053 0.011 . 1 . . . . . 319 PHE CA . 52495 1 1222 . 1 . 1 327 327 PHE CB C 13 45.721 0.000 . 1 . . . . . 319 PHE CB . 52495 1 1223 . 1 . 1 327 327 PHE N N 15 115.764 0.035 . 1 . . . . . 319 PHE N . 52495 1 1224 . 1 . 1 328 328 ASN H H 1 9.115 0.001 . 1 . . . . . 320 ASN H . 52495 1 1225 . 1 . 1 328 328 ASN C C 13 176.811 0.000 . 1 . . . . . 320 ASN C . 52495 1 1226 . 1 . 1 328 328 ASN CA C 13 52.780 0.009 . 1 . . . . . 320 ASN CA . 52495 1 1227 . 1 . 1 328 328 ASN CB C 13 36.725 0.000 . 1 . . . . . 320 ASN CB . 52495 1 1228 . 1 . 1 328 328 ASN N N 15 120.474 0.003 . 1 . . . . . 320 ASN N . 52495 1 1229 . 1 . 1 329 329 VAL H H 1 9.019 0.005 . 1 . . . . . 321 VAL H . 52495 1 1230 . 1 . 1 329 329 VAL C C 13 175.991 0.000 . 1 . . . . . 321 VAL C . 52495 1 1231 . 1 . 1 329 329 VAL CA C 13 64.479 0.070 . 1 . . . . . 321 VAL CA . 52495 1 1232 . 1 . 1 329 329 VAL CB C 13 31.083 0.000 . 1 . . . . . 321 VAL CB . 52495 1 1233 . 1 . 1 329 329 VAL N N 15 128.762 0.014 . 1 . . . . . 321 VAL N . 52495 1 1234 . 1 . 1 330 330 SER H H 1 8.138 0.003 . 1 . . . . . 322 SER H . 52495 1 1235 . 1 . 1 330 330 SER CA C 13 61.175 0.072 . 1 . . . . . 322 SER CA . 52495 1 1236 . 1 . 1 330 330 SER CB C 13 61.871 0.000 . 1 . . . . . 322 SER CB . 52495 1 1237 . 1 . 1 330 330 SER N N 15 118.520 0.009 . 1 . . . . . 322 SER N . 52495 1 1238 . 1 . 1 331 331 TYR H H 1 7.093 0.004 . 1 . . . . . 323 TYR H . 52495 1 1239 . 1 . 1 331 331 TYR CA C 13 56.170 0.045 . 1 . . . . . 323 TYR CA . 52495 1 1240 . 1 . 1 331 331 TYR CB C 13 35.574 0.000 . 1 . . . . . 323 TYR CB . 52495 1 1241 . 1 . 1 331 331 TYR N N 15 119.413 0.006 . 1 . . . . . 323 TYR N . 52495 1 1242 . 1 . 1 332 332 VAL H H 1 6.938 0.003 . 1 . . . . . 324 VAL H . 52495 1 1243 . 1 . 1 332 332 VAL CA C 13 65.636 0.064 . 1 . . . . . 324 VAL CA . 52495 1 1244 . 1 . 1 332 332 VAL CB C 13 30.317 0.067 . 1 . . . . . 324 VAL CB . 52495 1 1245 . 1 . 1 332 332 VAL N N 15 118.094 0.016 . 1 . . . . . 324 VAL N . 52495 1 1246 . 1 . 1 333 333 LEU H H 1 8.275 0.006 . 1 . . . . . 325 LEU H . 52495 1 1247 . 1 . 1 333 333 LEU C C 13 178.575 0.000 . 1 . . . . . 325 LEU C . 52495 1 1248 . 1 . 1 333 333 LEU CA C 13 58.139 0.077 . 1 . . . . . 325 LEU CA . 52495 1 1249 . 1 . 1 333 333 LEU CB C 13 40.256 0.000 . 1 . . . . . 325 LEU CB . 52495 1 1250 . 1 . 1 333 333 LEU N N 15 121.088 0.021 . 1 . . . . . 325 LEU N . 52495 1 1251 . 1 . 1 334 334 ASP H H 1 7.990 0.004 . 1 . . . . . 326 ASP H . 52495 1 1252 . 1 . 1 334 334 ASP CA C 13 56.650 0.076 . 1 . . . . . 326 ASP CA . 52495 1 1253 . 1 . 1 334 334 ASP CB C 13 40.110 0.000 . 1 . . . . . 326 ASP CB . 52495 1 1254 . 1 . 1 334 334 ASP N N 15 118.285 0.022 . 1 . . . . . 326 ASP N . 52495 1 1255 . 1 . 1 335 335 VAL H H 1 6.356 0.003 . 1 . . . . . 327 VAL H . 52495 1 1256 . 1 . 1 335 335 VAL CA C 13 65.272 0.066 . 1 . . . . . 327 VAL CA . 52495 1 1257 . 1 . 1 335 335 VAL CB C 13 30.353 0.000 . 1 . . . . . 327 VAL CB . 52495 1 1258 . 1 . 1 335 335 VAL N N 15 117.351 0.023 . 1 . . . . . 327 VAL N . 52495 1 1259 . 1 . 1 336 336 LEU H H 1 7.757 0.005 . 1 . . . . . 328 LEU H . 52495 1 1260 . 1 . 1 336 336 LEU CA C 13 57.389 0.076 . 1 . . . . . 328 LEU CA . 52495 1 1261 . 1 . 1 336 336 LEU CB C 13 39.497 0.000 . 1 . . . . . 328 LEU CB . 52495 1 1262 . 1 . 1 336 336 LEU N N 15 116.927 0.039 . 1 . . . . . 328 LEU N . 52495 1 1263 . 1 . 1 337 337 ASN H H 1 8.299 0.006 . 1 . . . . . 329 ASN H . 52495 1 1264 . 1 . 1 337 337 ASN C C 13 176.056 0.000 . 1 . . . . . 329 ASN C . 52495 1 1265 . 1 . 1 337 337 ASN CA C 13 54.926 0.073 . 1 . . . . . 329 ASN CA . 52495 1 1266 . 1 . 1 337 337 ASN CB C 13 38.081 0.000 . 1 . . . . . 329 ASN CB . 52495 1 1267 . 1 . 1 337 337 ASN N N 15 115.550 0.081 . 1 . . . . . 329 ASN N . 52495 1 1268 . 1 . 1 338 338 ALA H H 1 6.970 0.005 . 1 . . . . . 330 ALA H . 52495 1 1269 . 1 . 1 338 338 ALA C C 13 179.560 0.000 . 1 . . . . . 330 ALA C . 52495 1 1270 . 1 . 1 338 338 ALA CA C 13 52.956 0.068 . 1 . . . . . 330 ALA CA . 52495 1 1271 . 1 . 1 338 338 ALA CB C 13 18.685 0.000 . 1 . . . . . 330 ALA CB . 52495 1 1272 . 1 . 1 338 338 ALA N N 15 121.580 0.034 . 1 . . . . . 330 ALA N . 52495 1 1273 . 1 . 1 339 339 LEU H H 1 7.461 0.004 . 1 . . . . . 331 LEU H . 52495 1 1274 . 1 . 1 339 339 LEU CA C 13 56.382 0.074 . 1 . . . . . 331 LEU CA . 52495 1 1275 . 1 . 1 339 339 LEU CB C 13 42.446 0.000 . 1 . . . . . 331 LEU CB . 52495 1 1276 . 1 . 1 339 339 LEU N N 15 120.026 0.036 . 1 . . . . . 331 LEU N . 52495 1 1277 . 1 . 1 340 340 LYS H H 1 7.477 0.002 . 1 . . . . . 332 LYS H . 52495 1 1278 . 1 . 1 340 340 LYS C C 13 175.001 0.000 . 1 . . . . . 332 LYS C . 52495 1 1279 . 1 . 1 340 340 LYS CA C 13 55.726 0.005 . 1 . . . . . 332 LYS CA . 52495 1 1280 . 1 . 1 340 340 LYS CB C 13 29.887 0.019 . 1 . . . . . 332 LYS CB . 52495 1 1281 . 1 . 1 340 340 LYS N N 15 116.342 0.018 . 1 . . . . . 332 LYS N . 52495 1 1282 . 1 . 1 341 341 CYS H H 1 7.060 0.002 . 1 . . . . . 333 CYS H . 52495 1 1283 . 1 . 1 341 341 CYS CB C 13 30.487 0.000 . 1 . . . . . 333 CYS CB . 52495 1 1284 . 1 . 1 341 341 CYS N N 15 114.324 0.026 . 1 . . . . . 333 CYS N . 52495 1 1285 . 1 . 1 342 342 GLU C C 13 178.049 0.000 . 1 . . . . . 334 GLU C . 52495 1 1286 . 1 . 1 342 342 GLU CA C 13 59.011 0.000 . 1 . . . . . 334 GLU CA . 52495 1 1287 . 1 . 1 343 343 ASN H H 1 9.049 0.003 . 1 . . . . . 335 ASN H . 52495 1 1288 . 1 . 1 343 343 ASN C C 13 173.562 0.000 . 1 . . . . . 335 ASN C . 52495 1 1289 . 1 . 1 343 343 ASN CA C 13 52.222 0.072 . 1 . . . . . 335 ASN CA . 52495 1 1290 . 1 . 1 343 343 ASN CB C 13 41.961 0.002 . 1 . . . . . 335 ASN CB . 52495 1 1291 . 1 . 1 343 343 ASN N N 15 118.582 0.014 . 1 . . . . . 335 ASN N . 52495 1 1292 . 1 . 1 344 344 VAL H H 1 9.349 0.003 . 1 . . . . . 336 VAL H . 52495 1 1293 . 1 . 1 344 344 VAL C C 13 173.088 0.000 . 1 . . . . . 336 VAL C . 52495 1 1294 . 1 . 1 344 344 VAL CA C 13 58.927 0.000 . 1 . . . . . 336 VAL CA . 52495 1 1295 . 1 . 1 344 344 VAL CB C 13 33.843 0.000 . 1 . . . . . 336 VAL CB . 52495 1 1296 . 1 . 1 344 344 VAL N N 15 119.227 0.018 . 1 . . . . . 336 VAL N . 52495 1 1297 . 1 . 1 345 345 ARG H H 1 9.109 0.002 . 1 . . . . . 337 ARG H . 52495 1 1298 . 1 . 1 345 345 ARG C C 13 174.755 0.000 . 1 . . . . . 337 ARG C . 52495 1 1299 . 1 . 1 345 345 ARG CA C 13 53.491 0.006 . 1 . . . . . 337 ARG CA . 52495 1 1300 . 1 . 1 345 345 ARG CB C 13 32.922 0.033 . 1 . . . . . 337 ARG CB . 52495 1 1301 . 1 . 1 345 345 ARG N N 15 123.580 0.011 . 1 . . . . . 337 ARG N . 52495 1 1302 . 1 . 1 346 346 MET H H 1 9.457 0.002 . 1 . . . . . 338 MET H . 52495 1 1303 . 1 . 1 346 346 MET C C 13 174.577 0.000 . 1 . . . . . 338 MET C . 52495 1 1304 . 1 . 1 346 346 MET CA C 13 53.711 0.071 . 1 . . . . . 338 MET CA . 52495 1 1305 . 1 . 1 346 346 MET CB C 13 35.287 0.010 . 1 . . . . . 338 MET CB . 52495 1 1306 . 1 . 1 346 346 MET N N 15 123.590 0.011 . 1 . . . . . 338 MET N . 52495 1 1307 . 1 . 1 347 347 MET H H 1 9.423 0.002 . 1 . . . . . 339 MET H . 52495 1 1308 . 1 . 1 347 347 MET C C 13 175.262 0.000 . 1 . . . . . 339 MET C . 52495 1 1309 . 1 . 1 347 347 MET CA C 13 54.528 0.073 . 1 . . . . . 339 MET CA . 52495 1 1310 . 1 . 1 347 347 MET CB C 13 34.004 0.038 . 1 . . . . . 339 MET CB . 52495 1 1311 . 1 . 1 347 347 MET N N 15 123.532 0.022 . 1 . . . . . 339 MET N . 52495 1 1312 . 1 . 1 348 348 LEU H H 1 9.039 0.002 . 1 . . . . . 340 LEU H . 52495 1 1313 . 1 . 1 348 348 LEU C C 13 174.624 0.000 . 1 . . . . . 340 LEU C . 52495 1 1314 . 1 . 1 348 348 LEU CA C 13 54.697 0.002 . 1 . . . . . 340 LEU CA . 52495 1 1315 . 1 . 1 348 348 LEU CB C 13 44.121 0.000 . 1 . . . . . 340 LEU CB . 52495 1 1316 . 1 . 1 348 348 LEU N N 15 123.670 0.014 . 1 . . . . . 340 LEU N . 52495 1 1317 . 1 . 1 349 349 THR H H 1 9.089 0.004 . 1 . . . . . 341 THR H . 52495 1 1318 . 1 . 1 349 349 THR CA C 13 63.242 0.000 . 1 . . . . . 341 THR CA . 52495 1 1319 . 1 . 1 349 349 THR N N 15 113.977 0.011 . 1 . . . . . 341 THR N . 52495 1 1320 . 1 . 1 350 350 ASP H H 1 7.807 0.005 . 1 . . . . . 342 ASP H . 52495 1 1321 . 1 . 1 350 350 ASP C C 13 177.102 0.000 . 1 . . . . . 342 ASP C . 52495 1 1322 . 1 . 1 350 350 ASP CA C 13 53.347 0.025 . 1 . . . . . 342 ASP CA . 52495 1 1323 . 1 . 1 350 350 ASP N N 15 118.922 0.004 . 1 . . . . . 342 ASP N . 52495 1 1324 . 1 . 1 351 351 SER H H 1 8.126 0.009 . 1 . . . . . 343 SER H . 52495 1 1325 . 1 . 1 351 351 SER C C 13 173.900 0.000 . 1 . . . . . 343 SER C . 52495 1 1326 . 1 . 1 351 351 SER CA C 13 60.854 0.012 . 1 . . . . . 343 SER CA . 52495 1 1327 . 1 . 1 351 351 SER CB C 13 63.405 0.000 . 1 . . . . . 343 SER CB . 52495 1 1328 . 1 . 1 351 351 SER N N 15 110.173 0.058 . 1 . . . . . 343 SER N . 52495 1 1329 . 1 . 1 352 352 VAL H H 1 7.634 0.004 . 1 . . . . . 344 VAL H . 52495 1 1330 . 1 . 1 352 352 VAL CA C 13 59.997 0.000 . 1 . . . . . 344 VAL CA . 52495 1 1331 . 1 . 1 352 352 VAL N N 15 109.768 0.027 . 1 . . . . . 344 VAL N . 52495 1 1332 . 1 . 1 353 353 SER H H 1 6.985 0.003 . 1 . . . . . 345 SER H . 52495 1 1333 . 1 . 1 353 353 SER C C 13 171.940 0.000 . 1 . . . . . 345 SER C . 52495 1 1334 . 1 . 1 353 353 SER CA C 13 57.597 0.076 . 1 . . . . . 345 SER CA . 52495 1 1335 . 1 . 1 353 353 SER CB C 13 64.125 0.000 . 1 . . . . . 345 SER CB . 52495 1 1336 . 1 . 1 353 353 SER N N 15 117.943 0.026 . 1 . . . . . 345 SER N . 52495 1 1337 . 1 . 1 354 354 SER H H 1 8.181 0.001 . 1 . . . . . 346 SER H . 52495 1 1338 . 1 . 1 354 354 SER CA C 13 58.940 0.074 . 1 . . . . . 346 SER CA . 52495 1 1339 . 1 . 1 354 354 SER CB C 13 64.189 0.011 . 1 . . . . . 346 SER CB . 52495 1 1340 . 1 . 1 354 354 SER N N 15 114.476 0.022 . 1 . . . . . 346 SER N . 52495 1 1341 . 1 . 1 355 355 VAL H H 1 7.914 0.002 . 1 . . . . . 347 VAL H . 52495 1 1342 . 1 . 1 355 355 VAL C C 13 174.403 0.000 . 1 . . . . . 347 VAL C . 52495 1 1343 . 1 . 1 355 355 VAL CA C 13 60.305 0.075 . 1 . . . . . 347 VAL CA . 52495 1 1344 . 1 . 1 355 355 VAL CB C 13 34.032 0.000 . 1 . . . . . 347 VAL CB . 52495 1 1345 . 1 . 1 355 355 VAL N N 15 120.075 0.018 . 1 . . . . . 347 VAL N . 52495 1 1346 . 1 . 1 356 356 GLN H H 1 8.190 0.002 . 1 . . . . . 348 GLN H . 52495 1 1347 . 1 . 1 356 356 GLN C C 13 174.514 0.000 . 1 . . . . . 348 GLN C . 52495 1 1348 . 1 . 1 356 356 GLN CA C 13 53.367 0.003 . 1 . . . . . 348 GLN CA . 52495 1 1349 . 1 . 1 356 356 GLN CB C 13 30.872 0.054 . 1 . . . . . 348 GLN CB . 52495 1 1350 . 1 . 1 356 356 GLN N N 15 125.915 0.014 . 1 . . . . . 348 GLN N . 52495 1 1351 . 1 . 1 357 357 ILE H H 1 9.708 0.004 . 1 . . . . . 349 ILE H . 52495 1 1352 . 1 . 1 357 357 ILE C C 13 174.316 0.000 . 1 . . . . . 349 ILE C . 52495 1 1353 . 1 . 1 357 357 ILE CA C 13 60.173 0.002 . 1 . . . . . 349 ILE CA . 52495 1 1354 . 1 . 1 357 357 ILE CB C 13 40.204 0.069 . 1 . . . . . 349 ILE CB . 52495 1 1355 . 1 . 1 357 357 ILE N N 15 127.206 0.045 . 1 . . . . . 349 ILE N . 52495 1 1356 . 1 . 1 358 358 GLU H H 1 8.848 0.001 . 1 . . . . . 350 GLU H . 52495 1 1357 . 1 . 1 358 358 GLU C C 13 175.027 0.000 . 1 . . . . . 350 GLU C . 52495 1 1358 . 1 . 1 358 358 GLU CA C 13 53.938 0.097 . 1 . . . . . 350 GLU CA . 52495 1 1359 . 1 . 1 358 358 GLU CB C 13 33.629 0.018 . 1 . . . . . 350 GLU CB . 52495 1 1360 . 1 . 1 358 358 GLU N N 15 122.261 0.011 . 1 . . . . . 350 GLU N . 52495 1 1361 . 1 . 1 359 359 ASP H H 1 8.852 0.001 . 1 . . . . . 351 ASP H . 52495 1 1362 . 1 . 1 359 359 ASP C C 13 177.842 0.000 . 1 . . . . . 351 ASP C . 52495 1 1363 . 1 . 1 359 359 ASP CA C 13 54.201 0.084 . 1 . . . . . 351 ASP CA . 52495 1 1364 . 1 . 1 359 359 ASP CB C 13 41.082 0.039 . 1 . . . . . 351 ASP CB . 52495 1 1365 . 1 . 1 359 359 ASP N N 15 122.565 0.033 . 1 . . . . . 351 ASP N . 52495 1 1366 . 1 . 1 360 360 ALA H H 1 8.796 0.003 . 1 . . . . . 352 ALA H . 52495 1 1367 . 1 . 1 360 360 ALA C C 13 178.031 0.000 . 1 . . . . . 352 ALA C . 52495 1 1368 . 1 . 1 360 360 ALA CA C 13 53.880 0.074 . 1 . . . . . 352 ALA CA . 52495 1 1369 . 1 . 1 360 360 ALA CB C 13 18.054 0.000 . 1 . . . . . 352 ALA CB . 52495 1 1370 . 1 . 1 360 360 ALA N N 15 130.924 0.024 . 1 . . . . . 352 ALA N . 52495 1 1371 . 1 . 1 361 361 ALA H H 1 9.187 0.003 . 1 . . . . . 353 ALA H . 52495 1 1372 . 1 . 1 361 361 ALA C C 13 177.639 0.000 . 1 . . . . . 353 ALA C . 52495 1 1373 . 1 . 1 361 361 ALA CA C 13 51.272 0.002 . 1 . . . . . 353 ALA CA . 52495 1 1374 . 1 . 1 361 361 ALA CB C 13 19.728 0.007 . 1 . . . . . 353 ALA CB . 52495 1 1375 . 1 . 1 361 361 ALA N N 15 119.147 0.021 . 1 . . . . . 353 ALA N . 52495 1 1376 . 1 . 1 362 362 SER H H 1 7.206 0.002 . 1 . . . . . 354 SER H . 52495 1 1377 . 1 . 1 362 362 SER CA C 13 57.624 0.000 . 1 . . . . . 354 SER CA . 52495 1 1378 . 1 . 1 362 362 SER CB C 13 64.039 0.000 . 1 . . . . . 354 SER CB . 52495 1 1379 . 1 . 1 362 362 SER N N 15 112.176 0.011 . 1 . . . . . 354 SER N . 52495 1 1380 . 1 . 1 364 364 SER C C 13 173.428 0.000 . 1 . . . . . 356 SER C . 52495 1 1381 . 1 . 1 364 364 SER CA C 13 60.492 0.000 . 1 . . . . . 356 SER CA . 52495 1 1382 . 1 . 1 364 364 SER CB C 13 62.883 0.000 . 1 . . . . . 356 SER CB . 52495 1 1383 . 1 . 1 365 365 ALA H H 1 7.345 0.004 . 1 . . . . . 357 ALA H . 52495 1 1384 . 1 . 1 365 365 ALA C C 13 176.388 0.000 . 1 . . . . . 357 ALA C . 52495 1 1385 . 1 . 1 365 365 ALA CA C 13 50.015 0.003 . 1 . . . . . 357 ALA CA . 52495 1 1386 . 1 . 1 365 365 ALA CB C 13 21.287 0.000 . 1 . . . . . 357 ALA CB . 52495 1 1387 . 1 . 1 365 365 ALA N N 15 120.799 0.031 . 1 . . . . . 357 ALA N . 52495 1 1388 . 1 . 1 366 366 ALA H H 1 8.727 0.003 . 1 . . . . . 358 ALA H . 52495 1 1389 . 1 . 1 366 366 ALA CA C 13 51.415 0.001 . 1 . . . . . 358 ALA CA . 52495 1 1390 . 1 . 1 366 366 ALA CB C 13 21.324 0.021 . 1 . . . . . 358 ALA CB . 52495 1 1391 . 1 . 1 366 366 ALA N N 15 124.073 0.034 . 1 . . . . . 358 ALA N . 52495 1 1392 . 1 . 1 367 367 TYR H H 1 7.940 0.002 . 1 . . . . . 359 TYR H . 52495 1 1393 . 1 . 1 367 367 TYR C C 13 175.196 0.000 . 1 . . . . . 359 TYR C . 52495 1 1394 . 1 . 1 367 367 TYR CA C 13 56.216 0.068 . 1 . . . . . 359 TYR CA . 52495 1 1395 . 1 . 1 367 367 TYR CB C 13 40.926 0.073 . 1 . . . . . 359 TYR CB . 52495 1 1396 . 1 . 1 367 367 TYR N N 15 116.819 0.019 . 1 . . . . . 359 TYR N . 52495 1 1397 . 1 . 1 368 368 VAL H H 1 9.200 0.008 . 1 . . . . . 360 VAL H . 52495 1 1398 . 1 . 1 368 368 VAL CA C 13 59.910 0.067 . 1 . . . . . 360 VAL CA . 52495 1 1399 . 1 . 1 368 368 VAL CB C 13 34.147 0.000 . 1 . . . . . 360 VAL CB . 52495 1 1400 . 1 . 1 368 368 VAL N N 15 123.261 0.039 . 1 . . . . . 360 VAL N . 52495 1 1401 . 1 . 1 369 369 VAL H H 1 8.801 0.002 . 1 . . . . . 361 VAL H . 52495 1 1402 . 1 . 1 369 369 VAL C C 13 175.148 0.000 . 1 . . . . . 361 VAL C . 52495 1 1403 . 1 . 1 369 369 VAL CA C 13 60.721 0.073 . 1 . . . . . 361 VAL CA . 52495 1 1404 . 1 . 1 369 369 VAL CB C 13 34.365 0.075 . 1 . . . . . 361 VAL CB . 52495 1 1405 . 1 . 1 369 369 VAL N N 15 125.959 0.023 . 1 . . . . . 361 VAL N . 52495 1 1406 . 1 . 1 370 370 MET H H 1 7.912 0.002 . 1 . . . . . 362 MET H . 52495 1 1407 . 1 . 1 370 370 MET CA C 13 51.035 0.000 . 1 . . . . . 362 MET CA . 52495 1 1408 . 1 . 1 370 370 MET CB C 13 30.845 0.000 . 1 . . . . . 362 MET CB . 52495 1 1409 . 1 . 1 370 370 MET N N 15 124.870 0.016 . 1 . . . . . 362 MET N . 52495 1 1410 . 1 . 1 372 372 MET C C 13 175.989 0.000 . 1 . . . . . 364 MET C . 52495 1 1411 . 1 . 1 372 372 MET CA C 13 53.463 0.000 . 1 . . . . . 364 MET CA . 52495 1 1412 . 1 . 1 373 373 ARG H H 1 8.707 0.003 . 1 . . . . . 365 ARG H . 52495 1 1413 . 1 . 1 373 373 ARG C C 13 175.113 0.000 . 1 . . . . . 365 ARG C . 52495 1 1414 . 1 . 1 373 373 ARG CA C 13 55.895 0.056 . 1 . . . . . 365 ARG CA . 52495 1 1415 . 1 . 1 373 373 ARG CB C 13 29.343 0.025 . 1 . . . . . 365 ARG CB . 52495 1 1416 . 1 . 1 373 373 ARG N N 15 124.134 0.006 . 1 . . . . . 365 ARG N . 52495 1 1417 . 1 . 1 374 374 LEU H H 1 7.995 0.001 . 1 . . . . . 366 LEU H . 52495 1 1418 . 1 . 1 374 374 LEU CA C 13 55.776 0.000 . 1 . . . . . 366 LEU CA . 52495 1 1419 . 1 . 1 374 374 LEU CB C 13 42.323 0.000 . 1 . . . . . 366 LEU CB . 52495 1 1420 . 1 . 1 374 374 LEU N N 15 132.529 0.023 . 1 . . . . . 366 LEU N . 52495 1 stop_ save_