data_27380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27380 _Entry.Title ; Assignment of the 1H, 13C, and 15N resonances of ataxin-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-23 _Entry.Accession_date 2018-01-23 _Entry.Last_release_date 2018-01-23 _Entry.Original_release_date 2018-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Assignment of backbone 1H, 15N and 13Ca/b of ataxin-3 containing a polyglutamine tract of 13Q' _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 Alessandro Sicorello . . . . 27380 2 Geoffry Kelly . P. . . 27380 3 Alain Oregioni . . . . 27380 4 Jiri Novacek . . . . 27380 5 Annalisa Pastore . . . . 27380 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Maurice Wohl Institute, King's College London" . 27380 2 . 'The Francis Crick Institute' . 27380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 27380 '15N chemical shifts' 316 27380 '1H chemical shifts' 316 27380 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 . . 2018-08-16 . original BMRB . 27380 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27380 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29972812 _Citation.Full_citation . _Citation.Title ; The Structural Properties in Solution of the Intrinsically Mixed Folded Protein Ataxin-3. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 115 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 59 _Citation.Page_last 71 _Citation.Year 2018 _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 Alessandro Sicorello A. . . . 27380 1 2 Geoff Kelly G. . . . 27380 1 3 Alain Oregioni A. . . . 27380 1 4 Jiri Novacek J. . . . 27380 1 5 Vladimir Sklenar V. . . . 27380 1 6 Annalisa Pastore A. . . . 27380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27380 _Assembly.ID 1 _Assembly.Name ataxin-3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 41307.09 _Assembly.Enzyme_commission_number 3.4.19.12 _Assembly.Details 'monomeric protein' _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 ataxin-3 1 $ataxin-3 A . yes native no no . . . 27380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ataxin-3 _Entity.Sf_category entity _Entity.Sf_framecode ataxin-3 _Entity.Entry_ID 27380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ataxin-3 _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 ; GMESIFHEKQEGSLCAQHCL NNLLQGEYFSPVELSSIAHQ LDEEERMRMAEGGVTSEDYR TFLQQPSGNMDDSGFFSIQV ISNALKVWGLELILFNSPEY QRLRIDPINERSFICNYKEH WFTVRKLGKQWFNLNSLLTG PELISDTYLALFLAQLQQEG YSIFVVKGDLPDCEADQLLQ MIRVQQMHRPKLIGEELAQL KEQRVHKTDLERVLEANDGS GMLDEDEEDLQRALALSRQE IDMEDEEADLRRAIQLSMQG SSRNISQDMTQTSGTNLTSE ELRKRREAYFEKQQQKQQQQ QQQQQQGDLSGQSSHPCERP ATSSGALGSDLGDAMSEEDM LQAAVTMSLETVRNDLKTEG KK ; _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 362 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 41307.09 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first glycine is a residual of the Tobacco Etch virus protease cleavage site.' _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 'Ubl conjugation pathway' 27380 1 transcription 27380 1 'transcription regulation' 27380 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 0 GLY . 27380 1 2 1 MET . 27380 1 3 2 GLU . 27380 1 4 3 SER . 27380 1 5 4 ILE . 27380 1 6 5 PHE . 27380 1 7 6 HIS . 27380 1 8 7 GLU . 27380 1 9 8 LYS . 27380 1 10 9 GLN . 27380 1 11 10 GLU . 27380 1 12 11 GLY . 27380 1 13 12 SER . 27380 1 14 13 LEU . 27380 1 15 14 CYS . 27380 1 16 15 ALA . 27380 1 17 16 GLN . 27380 1 18 17 HIS . 27380 1 19 18 CYS . 27380 1 20 19 LEU . 27380 1 21 20 ASN . 27380 1 22 21 ASN . 27380 1 23 22 LEU . 27380 1 24 23 LEU . 27380 1 25 24 GLN . 27380 1 26 25 GLY . 27380 1 27 26 GLU . 27380 1 28 27 TYR . 27380 1 29 28 PHE . 27380 1 30 29 SER . 27380 1 31 30 PRO . 27380 1 32 31 VAL . 27380 1 33 32 GLU . 27380 1 34 33 LEU . 27380 1 35 34 SER . 27380 1 36 35 SER . 27380 1 37 36 ILE . 27380 1 38 37 ALA . 27380 1 39 38 HIS . 27380 1 40 39 GLN . 27380 1 41 40 LEU . 27380 1 42 41 ASP . 27380 1 43 42 GLU . 27380 1 44 43 GLU . 27380 1 45 44 GLU . 27380 1 46 45 ARG . 27380 1 47 46 MET . 27380 1 48 47 ARG . 27380 1 49 48 MET . 27380 1 50 49 ALA . 27380 1 51 50 GLU . 27380 1 52 51 GLY . 27380 1 53 52 GLY . 27380 1 54 53 VAL . 27380 1 55 54 THR . 27380 1 56 55 SER . 27380 1 57 56 GLU . 27380 1 58 57 ASP . 27380 1 59 58 TYR . 27380 1 60 59 ARG . 27380 1 61 60 THR . 27380 1 62 61 PHE . 27380 1 63 62 LEU . 27380 1 64 63 GLN . 27380 1 65 64 GLN . 27380 1 66 65 PRO . 27380 1 67 66 SER . 27380 1 68 67 GLY . 27380 1 69 68 ASN . 27380 1 70 69 MET . 27380 1 71 70 ASP . 27380 1 72 71 ASP . 27380 1 73 72 SER . 27380 1 74 73 GLY . 27380 1 75 74 PHE . 27380 1 76 75 PHE . 27380 1 77 76 SER . 27380 1 78 77 ILE . 27380 1 79 78 GLN . 27380 1 80 79 VAL . 27380 1 81 80 ILE . 27380 1 82 81 SER . 27380 1 83 82 ASN . 27380 1 84 83 ALA . 27380 1 85 84 LEU . 27380 1 86 85 LYS . 27380 1 87 86 VAL . 27380 1 88 87 TRP . 27380 1 89 88 GLY . 27380 1 90 89 LEU . 27380 1 91 90 GLU . 27380 1 92 91 LEU . 27380 1 93 92 ILE . 27380 1 94 93 LEU . 27380 1 95 94 PHE . 27380 1 96 95 ASN . 27380 1 97 96 SER . 27380 1 98 97 PRO . 27380 1 99 98 GLU . 27380 1 100 99 TYR . 27380 1 101 100 GLN . 27380 1 102 101 ARG . 27380 1 103 102 LEU . 27380 1 104 103 ARG . 27380 1 105 104 ILE . 27380 1 106 105 ASP . 27380 1 107 106 PRO . 27380 1 108 107 ILE . 27380 1 109 108 ASN . 27380 1 110 109 GLU . 27380 1 111 110 ARG . 27380 1 112 111 SER . 27380 1 113 112 PHE . 27380 1 114 113 ILE . 27380 1 115 114 CYS . 27380 1 116 115 ASN . 27380 1 117 116 TYR . 27380 1 118 117 LYS . 27380 1 119 118 GLU . 27380 1 120 119 HIS . 27380 1 121 120 TRP . 27380 1 122 121 PHE . 27380 1 123 122 THR . 27380 1 124 123 VAL . 27380 1 125 124 ARG . 27380 1 126 125 LYS . 27380 1 127 126 LEU . 27380 1 128 127 GLY . 27380 1 129 128 LYS . 27380 1 130 129 GLN . 27380 1 131 130 TRP . 27380 1 132 131 PHE . 27380 1 133 132 ASN . 27380 1 134 133 LEU . 27380 1 135 134 ASN . 27380 1 136 135 SER . 27380 1 137 136 LEU . 27380 1 138 137 LEU . 27380 1 139 138 THR . 27380 1 140 139 GLY . 27380 1 141 140 PRO . 27380 1 142 141 GLU . 27380 1 143 142 LEU . 27380 1 144 143 ILE . 27380 1 145 144 SER . 27380 1 146 145 ASP . 27380 1 147 146 THR . 27380 1 148 147 TYR . 27380 1 149 148 LEU . 27380 1 150 149 ALA . 27380 1 151 150 LEU . 27380 1 152 151 PHE . 27380 1 153 152 LEU . 27380 1 154 153 ALA . 27380 1 155 154 GLN . 27380 1 156 155 LEU . 27380 1 157 156 GLN . 27380 1 158 157 GLN . 27380 1 159 158 GLU . 27380 1 160 159 GLY . 27380 1 161 160 TYR . 27380 1 162 161 SER . 27380 1 163 162 ILE . 27380 1 164 163 PHE . 27380 1 165 164 VAL . 27380 1 166 165 VAL . 27380 1 167 166 LYS . 27380 1 168 167 GLY . 27380 1 169 168 ASP . 27380 1 170 169 LEU . 27380 1 171 170 PRO . 27380 1 172 171 ASP . 27380 1 173 172 CYS . 27380 1 174 173 GLU . 27380 1 175 174 ALA . 27380 1 176 175 ASP . 27380 1 177 176 GLN . 27380 1 178 177 LEU . 27380 1 179 178 LEU . 27380 1 180 179 GLN . 27380 1 181 180 MET . 27380 1 182 181 ILE . 27380 1 183 182 ARG . 27380 1 184 183 VAL . 27380 1 185 184 GLN . 27380 1 186 185 GLN . 27380 1 187 186 MET . 27380 1 188 187 HIS . 27380 1 189 188 ARG . 27380 1 190 189 PRO . 27380 1 191 190 LYS . 27380 1 192 191 LEU . 27380 1 193 192 ILE . 27380 1 194 193 GLY . 27380 1 195 194 GLU . 27380 1 196 195 GLU . 27380 1 197 196 LEU . 27380 1 198 197 ALA . 27380 1 199 198 GLN . 27380 1 200 199 LEU . 27380 1 201 200 LYS . 27380 1 202 201 GLU . 27380 1 203 202 GLN . 27380 1 204 203 ARG . 27380 1 205 204 VAL . 27380 1 206 205 HIS . 27380 1 207 206 LYS . 27380 1 208 207 THR . 27380 1 209 208 ASP . 27380 1 210 209 LEU . 27380 1 211 210 GLU . 27380 1 212 211 ARG . 27380 1 213 212 VAL . 27380 1 214 213 LEU . 27380 1 215 214 GLU . 27380 1 216 215 ALA . 27380 1 217 216 ASN . 27380 1 218 217 ASP . 27380 1 219 218 GLY . 27380 1 220 219 SER . 27380 1 221 220 GLY . 27380 1 222 221 MET . 27380 1 223 222 LEU . 27380 1 224 223 ASP . 27380 1 225 224 GLU . 27380 1 226 225 ASP . 27380 1 227 226 GLU . 27380 1 228 227 GLU . 27380 1 229 228 ASP . 27380 1 230 229 LEU . 27380 1 231 230 GLN . 27380 1 232 231 ARG . 27380 1 233 232 ALA . 27380 1 234 233 LEU . 27380 1 235 234 ALA . 27380 1 236 235 LEU . 27380 1 237 236 SER . 27380 1 238 237 ARG . 27380 1 239 238 GLN . 27380 1 240 239 GLU . 27380 1 241 240 ILE . 27380 1 242 241 ASP . 27380 1 243 242 MET . 27380 1 244 243 GLU . 27380 1 245 244 ASP . 27380 1 246 245 GLU . 27380 1 247 246 GLU . 27380 1 248 247 ALA . 27380 1 249 248 ASP . 27380 1 250 249 LEU . 27380 1 251 250 ARG . 27380 1 252 251 ARG . 27380 1 253 252 ALA . 27380 1 254 253 ILE . 27380 1 255 254 GLN . 27380 1 256 255 LEU . 27380 1 257 256 SER . 27380 1 258 257 MET . 27380 1 259 258 GLN . 27380 1 260 259 GLY . 27380 1 261 260 SER . 27380 1 262 261 SER . 27380 1 263 262 ARG . 27380 1 264 263 ASN . 27380 1 265 264 ILE . 27380 1 266 265 SER . 27380 1 267 266 GLN . 27380 1 268 267 ASP . 27380 1 269 268 MET . 27380 1 270 269 THR . 27380 1 271 270 GLN . 27380 1 272 271 THR . 27380 1 273 272 SER . 27380 1 274 273 GLY . 27380 1 275 274 THR . 27380 1 276 275 ASN . 27380 1 277 276 LEU . 27380 1 278 277 THR . 27380 1 279 278 SER . 27380 1 280 279 GLU . 27380 1 281 280 GLU . 27380 1 282 281 LEU . 27380 1 283 282 ARG . 27380 1 284 283 LYS . 27380 1 285 284 ARG . 27380 1 286 285 ARG . 27380 1 287 286 GLU . 27380 1 288 287 ALA . 27380 1 289 288 TYR . 27380 1 290 289 PHE . 27380 1 291 290 GLU . 27380 1 292 291 LYS . 27380 1 293 292 GLN . 27380 1 294 293 GLN . 27380 1 295 294 GLN . 27380 1 296 295 LYS . 27380 1 297 296 GLN . 27380 1 298 297 GLN . 27380 1 299 298 GLN . 27380 1 300 299 GLN . 27380 1 301 300 GLN . 27380 1 302 301 GLN . 27380 1 303 302 GLN . 27380 1 304 303 GLN . 27380 1 305 304 GLN . 27380 1 306 305 GLN . 27380 1 307 306 GLY . 27380 1 308 307 ASP . 27380 1 309 308 LEU . 27380 1 310 309 SER . 27380 1 311 310 GLY . 27380 1 312 311 GLN . 27380 1 313 312 SER . 27380 1 314 313 SER . 27380 1 315 314 HIS . 27380 1 316 315 PRO . 27380 1 317 316 CYS . 27380 1 318 317 GLU . 27380 1 319 318 ARG . 27380 1 320 319 PRO . 27380 1 321 320 ALA . 27380 1 322 321 THR . 27380 1 323 322 SER . 27380 1 324 323 SER . 27380 1 325 324 GLY . 27380 1 326 325 ALA . 27380 1 327 326 LEU . 27380 1 328 327 GLY . 27380 1 329 328 SER . 27380 1 330 329 ASP . 27380 1 331 330 LEU . 27380 1 332 331 GLY . 27380 1 333 332 ASP . 27380 1 334 333 ALA . 27380 1 335 334 MET . 27380 1 336 335 SER . 27380 1 337 336 GLU . 27380 1 338 337 GLU . 27380 1 339 338 ASP . 27380 1 340 339 MET . 27380 1 341 340 LEU . 27380 1 342 341 GLN . 27380 1 343 342 ALA . 27380 1 344 343 ALA . 27380 1 345 344 VAL . 27380 1 346 345 THR . 27380 1 347 346 MET . 27380 1 348 347 SER . 27380 1 349 348 LEU . 27380 1 350 349 GLU . 27380 1 351 350 THR . 27380 1 352 351 VAL . 27380 1 353 352 ARG . 27380 1 354 353 ASN . 27380 1 355 354 ASP . 27380 1 356 355 LEU . 27380 1 357 356 LYS . 27380 1 358 357 THR . 27380 1 359 358 GLU . 27380 1 360 359 GLY . 27380 1 361 360 LYS . 27380 1 362 361 LYS . 27380 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 . GLY 1 1 27380 1 . MET 2 2 27380 1 . GLU 3 3 27380 1 . SER 4 4 27380 1 . ILE 5 5 27380 1 . PHE 6 6 27380 1 . HIS 7 7 27380 1 . GLU 8 8 27380 1 . LYS 9 9 27380 1 . GLN 10 10 27380 1 . GLU 11 11 27380 1 . GLY 12 12 27380 1 . SER 13 13 27380 1 . LEU 14 14 27380 1 . CYS 15 15 27380 1 . ALA 16 16 27380 1 . GLN 17 17 27380 1 . HIS 18 18 27380 1 . CYS 19 19 27380 1 . LEU 20 20 27380 1 . ASN 21 21 27380 1 . ASN 22 22 27380 1 . LEU 23 23 27380 1 . LEU 24 24 27380 1 . GLN 25 25 27380 1 . GLY 26 26 27380 1 . GLU 27 27 27380 1 . TYR 28 28 27380 1 . PHE 29 29 27380 1 . SER 30 30 27380 1 . PRO 31 31 27380 1 . VAL 32 32 27380 1 . GLU 33 33 27380 1 . LEU 34 34 27380 1 . SER 35 35 27380 1 . SER 36 36 27380 1 . ILE 37 37 27380 1 . ALA 38 38 27380 1 . HIS 39 39 27380 1 . GLN 40 40 27380 1 . LEU 41 41 27380 1 . ASP 42 42 27380 1 . GLU 43 43 27380 1 . GLU 44 44 27380 1 . GLU 45 45 27380 1 . ARG 46 46 27380 1 . MET 47 47 27380 1 . ARG 48 48 27380 1 . MET 49 49 27380 1 . ALA 50 50 27380 1 . GLU 51 51 27380 1 . GLY 52 52 27380 1 . GLY 53 53 27380 1 . VAL 54 54 27380 1 . THR 55 55 27380 1 . SER 56 56 27380 1 . GLU 57 57 27380 1 . ASP 58 58 27380 1 . TYR 59 59 27380 1 . ARG 60 60 27380 1 . THR 61 61 27380 1 . PHE 62 62 27380 1 . LEU 63 63 27380 1 . GLN 64 64 27380 1 . GLN 65 65 27380 1 . PRO 66 66 27380 1 . SER 67 67 27380 1 . GLY 68 68 27380 1 . ASN 69 69 27380 1 . MET 70 70 27380 1 . ASP 71 71 27380 1 . ASP 72 72 27380 1 . SER 73 73 27380 1 . GLY 74 74 27380 1 . PHE 75 75 27380 1 . PHE 76 76 27380 1 . SER 77 77 27380 1 . ILE 78 78 27380 1 . GLN 79 79 27380 1 . VAL 80 80 27380 1 . ILE 81 81 27380 1 . SER 82 82 27380 1 . ASN 83 83 27380 1 . ALA 84 84 27380 1 . LEU 85 85 27380 1 . LYS 86 86 27380 1 . VAL 87 87 27380 1 . TRP 88 88 27380 1 . GLY 89 89 27380 1 . LEU 90 90 27380 1 . GLU 91 91 27380 1 . LEU 92 92 27380 1 . ILE 93 93 27380 1 . LEU 94 94 27380 1 . PHE 95 95 27380 1 . ASN 96 96 27380 1 . SER 97 97 27380 1 . PRO 98 98 27380 1 . GLU 99 99 27380 1 . TYR 100 100 27380 1 . GLN 101 101 27380 1 . ARG 102 102 27380 1 . LEU 103 103 27380 1 . ARG 104 104 27380 1 . ILE 105 105 27380 1 . ASP 106 106 27380 1 . PRO 107 107 27380 1 . ILE 108 108 27380 1 . ASN 109 109 27380 1 . GLU 110 110 27380 1 . ARG 111 111 27380 1 . SER 112 112 27380 1 . PHE 113 113 27380 1 . ILE 114 114 27380 1 . CYS 115 115 27380 1 . ASN 116 116 27380 1 . TYR 117 117 27380 1 . LYS 118 118 27380 1 . GLU 119 119 27380 1 . HIS 120 120 27380 1 . TRP 121 121 27380 1 . PHE 122 122 27380 1 . THR 123 123 27380 1 . VAL 124 124 27380 1 . ARG 125 125 27380 1 . LYS 126 126 27380 1 . LEU 127 127 27380 1 . GLY 128 128 27380 1 . LYS 129 129 27380 1 . GLN 130 130 27380 1 . TRP 131 131 27380 1 . PHE 132 132 27380 1 . ASN 133 133 27380 1 . LEU 134 134 27380 1 . ASN 135 135 27380 1 . SER 136 136 27380 1 . LEU 137 137 27380 1 . LEU 138 138 27380 1 . THR 139 139 27380 1 . GLY 140 140 27380 1 . PRO 141 141 27380 1 . GLU 142 142 27380 1 . LEU 143 143 27380 1 . ILE 144 144 27380 1 . SER 145 145 27380 1 . ASP 146 146 27380 1 . THR 147 147 27380 1 . TYR 148 148 27380 1 . LEU 149 149 27380 1 . ALA 150 150 27380 1 . LEU 151 151 27380 1 . PHE 152 152 27380 1 . LEU 153 153 27380 1 . ALA 154 154 27380 1 . GLN 155 155 27380 1 . LEU 156 156 27380 1 . GLN 157 157 27380 1 . GLN 158 158 27380 1 . GLU 159 159 27380 1 . GLY 160 160 27380 1 . TYR 161 161 27380 1 . SER 162 162 27380 1 . ILE 163 163 27380 1 . PHE 164 164 27380 1 . VAL 165 165 27380 1 . VAL 166 166 27380 1 . LYS 167 167 27380 1 . GLY 168 168 27380 1 . ASP 169 169 27380 1 . LEU 170 170 27380 1 . PRO 171 171 27380 1 . ASP 172 172 27380 1 . CYS 173 173 27380 1 . GLU 174 174 27380 1 . ALA 175 175 27380 1 . ASP 176 176 27380 1 . GLN 177 177 27380 1 . LEU 178 178 27380 1 . LEU 179 179 27380 1 . GLN 180 180 27380 1 . MET 181 181 27380 1 . ILE 182 182 27380 1 . ARG 183 183 27380 1 . VAL 184 184 27380 1 . GLN 185 185 27380 1 . GLN 186 186 27380 1 . MET 187 187 27380 1 . HIS 188 188 27380 1 . ARG 189 189 27380 1 . PRO 190 190 27380 1 . LYS 191 191 27380 1 . LEU 192 192 27380 1 . ILE 193 193 27380 1 . GLY 194 194 27380 1 . GLU 195 195 27380 1 . GLU 196 196 27380 1 . LEU 197 197 27380 1 . ALA 198 198 27380 1 . GLN 199 199 27380 1 . LEU 200 200 27380 1 . LYS 201 201 27380 1 . GLU 202 202 27380 1 . GLN 203 203 27380 1 . ARG 204 204 27380 1 . VAL 205 205 27380 1 . HIS 206 206 27380 1 . LYS 207 207 27380 1 . THR 208 208 27380 1 . ASP 209 209 27380 1 . LEU 210 210 27380 1 . GLU 211 211 27380 1 . ARG 212 212 27380 1 . VAL 213 213 27380 1 . LEU 214 214 27380 1 . GLU 215 215 27380 1 . ALA 216 216 27380 1 . ASN 217 217 27380 1 . ASP 218 218 27380 1 . GLY 219 219 27380 1 . SER 220 220 27380 1 . GLY 221 221 27380 1 . MET 222 222 27380 1 . LEU 223 223 27380 1 . ASP 224 224 27380 1 . GLU 225 225 27380 1 . ASP 226 226 27380 1 . GLU 227 227 27380 1 . GLU 228 228 27380 1 . ASP 229 229 27380 1 . LEU 230 230 27380 1 . GLN 231 231 27380 1 . ARG 232 232 27380 1 . ALA 233 233 27380 1 . LEU 234 234 27380 1 . ALA 235 235 27380 1 . LEU 236 236 27380 1 . SER 237 237 27380 1 . ARG 238 238 27380 1 . GLN 239 239 27380 1 . GLU 240 240 27380 1 . ILE 241 241 27380 1 . ASP 242 242 27380 1 . MET 243 243 27380 1 . GLU 244 244 27380 1 . ASP 245 245 27380 1 . GLU 246 246 27380 1 . GLU 247 247 27380 1 . ALA 248 248 27380 1 . ASP 249 249 27380 1 . LEU 250 250 27380 1 . ARG 251 251 27380 1 . ARG 252 252 27380 1 . ALA 253 253 27380 1 . ILE 254 254 27380 1 . GLN 255 255 27380 1 . LEU 256 256 27380 1 . SER 257 257 27380 1 . MET 258 258 27380 1 . GLN 259 259 27380 1 . GLY 260 260 27380 1 . SER 261 261 27380 1 . SER 262 262 27380 1 . ARG 263 263 27380 1 . ASN 264 264 27380 1 . ILE 265 265 27380 1 . SER 266 266 27380 1 . GLN 267 267 27380 1 . ASP 268 268 27380 1 . MET 269 269 27380 1 . THR 270 270 27380 1 . GLN 271 271 27380 1 . THR 272 272 27380 1 . SER 273 273 27380 1 . GLY 274 274 27380 1 . THR 275 275 27380 1 . ASN 276 276 27380 1 . LEU 277 277 27380 1 . THR 278 278 27380 1 . SER 279 279 27380 1 . GLU 280 280 27380 1 . GLU 281 281 27380 1 . LEU 282 282 27380 1 . ARG 283 283 27380 1 . LYS 284 284 27380 1 . ARG 285 285 27380 1 . ARG 286 286 27380 1 . GLU 287 287 27380 1 . ALA 288 288 27380 1 . TYR 289 289 27380 1 . PHE 290 290 27380 1 . GLU 291 291 27380 1 . LYS 292 292 27380 1 . GLN 293 293 27380 1 . GLN 294 294 27380 1 . GLN 295 295 27380 1 . LYS 296 296 27380 1 . GLN 297 297 27380 1 . GLN 298 298 27380 1 . GLN 299 299 27380 1 . GLN 300 300 27380 1 . GLN 301 301 27380 1 . GLN 302 302 27380 1 . GLN 303 303 27380 1 . GLN 304 304 27380 1 . GLN 305 305 27380 1 . GLN 306 306 27380 1 . GLY 307 307 27380 1 . ASP 308 308 27380 1 . LEU 309 309 27380 1 . SER 310 310 27380 1 . GLY 311 311 27380 1 . GLN 312 312 27380 1 . SER 313 313 27380 1 . SER 314 314 27380 1 . HIS 315 315 27380 1 . PRO 316 316 27380 1 . CYS 317 317 27380 1 . GLU 318 318 27380 1 . ARG 319 319 27380 1 . PRO 320 320 27380 1 . ALA 321 321 27380 1 . THR 322 322 27380 1 . SER 323 323 27380 1 . SER 324 324 27380 1 . GLY 325 325 27380 1 . ALA 326 326 27380 1 . LEU 327 327 27380 1 . GLY 328 328 27380 1 . SER 329 329 27380 1 . ASP 330 330 27380 1 . LEU 331 331 27380 1 . GLY 332 332 27380 1 . ASP 333 333 27380 1 . ALA 334 334 27380 1 . MET 335 335 27380 1 . SER 336 336 27380 1 . GLU 337 337 27380 1 . GLU 338 338 27380 1 . ASP 339 339 27380 1 . MET 340 340 27380 1 . LEU 341 341 27380 1 . GLN 342 342 27380 1 . ALA 343 343 27380 1 . ALA 344 344 27380 1 . VAL 345 345 27380 1 . THR 346 346 27380 1 . MET 347 347 27380 1 . SER 348 348 27380 1 . LEU 349 349 27380 1 . GLU 350 350 27380 1 . THR 351 351 27380 1 . VAL 352 352 27380 1 . ARG 353 353 27380 1 . ASN 354 354 27380 1 . ASP 355 355 27380 1 . LEU 356 356 27380 1 . LYS 357 357 27380 1 . THR 358 358 27380 1 . GLU 359 359 27380 1 . GLY 360 360 27380 1 . LYS 361 361 27380 1 . LYS 362 362 27380 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27380 _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 $ataxin-3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21 . . . . . . . . . . ATXN3 . 27380 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27380 _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 $ataxin-3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pMht . . ; The construct expressed contains from the N- to the C-terminus: maltose binding protein, a hexa-histidine tag, Tobacco Etch virus protease and ataxin-3. ; 27380 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27380 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TCEP, pH 6.5' _Sample.Aggregate_sample_number . _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 ataxin-3 '[U-100% 13C; U-100% 15N]' . . 1 $ataxin-3 . . 0.250 . . mM . . . . 27380 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27380 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27380 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample _Sample_condition_list.Entry_ID 27380 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 2 mM TCEP' 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 'ionic strength' 20 . mM 27380 1 pH 6.5 . pH 27380 1 pressure 1 . atm 27380 1 temperature 298.2 . K 27380 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27380 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details 'Software used for assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27380 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27380 1 'peak picking' 27380 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27380 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27380 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27380 2 processing 27380 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27380 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27380 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27380 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27380 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27380 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27380 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27380 1 2 spectrometer_2 Bruker Avance . 700 . . . 27380 1 3 spectrometer_3 Bruker Avance . 800 . . . 27380 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27380 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27380 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27380 1 3 '5D HNCaCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27380 1 4 '5D HabCabCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27380 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'H, N, Ca, Cb' 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 water protons . . . . ppm 0.0 internal indirect 0.251459844 . . . . . 27380 1 H 1 water protons . . . . ppm 4.775 internal direct 1 . . . . . 27380 1 N 15 water protons . . . . ppm 0.0 internal indirect 0.101341406 . . . . . 27380 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 HSQC' . . . 27380 1 2 '3D HNCACB' . . . 27380 1 3 '5D HNCaCONH' . . . 27380 1 4 '5D HabCabCONH' . . . 27380 1 5 '3D HNCO' . . . 27380 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 $CCPNMR . . 27380 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 SER H H 1 7.918 0.000 . 1 . . . . . 3 Ser H . 27380 1 2 . 1 1 4 4 SER N N 15 113.364 0.000 . 1 . . . . . 3 Ser N . 27380 1 3 . 1 1 5 5 ILE H H 1 7.416 0.000 . 1 . . . . . 4 Ile H . 27380 1 4 . 1 1 5 5 ILE N N 15 122.113 0.000 . 1 . . . . . 4 Ile N . 27380 1 5 . 1 1 6 6 PHE H H 1 8.816 0.000 . 1 . . . . . 5 Phe H . 27380 1 6 . 1 1 6 6 PHE N N 15 132.304 0.000 . 1 . . . . . 5 Phe N . 27380 1 7 . 1 1 7 7 HIS H H 1 8.059 0.000 . 1 . . . . . 6 His H . 27380 1 8 . 1 1 7 7 HIS N N 15 128.621 0.000 . 1 . . . . . 6 His N . 27380 1 9 . 1 1 8 8 GLU H H 1 9.749 0.000 . 1 . . . . . 7 Glu H . 27380 1 10 . 1 1 8 8 GLU N N 15 129.818 0.000 . 1 . . . . . 7 Glu N . 27380 1 11 . 1 1 9 9 LYS H H 1 7.747 0.000 . 1 . . . . . 8 Lys H . 27380 1 12 . 1 1 9 9 LYS N N 15 121.388 0.000 . 1 . . . . . 8 Lys N . 27380 1 13 . 1 1 10 10 GLN H H 1 7.710 0.000 . 1 . . . . . 9 Gln H . 27380 1 14 . 1 1 10 10 GLN N N 15 118.281 0.000 . 1 . . . . . 9 Gln N . 27380 1 15 . 1 1 11 11 GLU H H 1 8.939 0.000 . 1 . . . . . 10 Glu H . 27380 1 16 . 1 1 11 11 GLU N N 15 124.600 0.000 . 1 . . . . . 10 Glu N . 27380 1 17 . 1 1 12 12 GLY H H 1 8.511 0.000 . 1 . . . . . 11 Gly H . 27380 1 18 . 1 1 12 12 GLY N N 15 112.052 0.000 . 1 . . . . . 11 Gly N . 27380 1 19 . 1 1 14 14 LEU H H 1 8.102 0.000 . 1 . . . . . 13 Leu H . 27380 1 20 . 1 1 14 14 LEU N N 15 123.193 0.000 . 1 . . . . . 13 Leu N . 27380 1 21 . 1 1 15 15 CYS H H 1 9.249 0.000 . 1 . . . . . 14 Cys H . 27380 1 22 . 1 1 15 15 CYS N N 15 118.998 0.000 . 1 . . . . . 14 Cys N . 27380 1 23 . 1 1 16 16 ALA H H 1 8.865 0.000 . 1 . . . . . 15 Ala H . 27380 1 24 . 1 1 16 16 ALA N N 15 126.501 0.000 . 1 . . . . . 15 Ala N . 27380 1 25 . 1 1 17 17 GLN H H 1 8.916 0.000 . 1 . . . . . 16 Gln H . 27380 1 26 . 1 1 17 17 GLN N N 15 115.939 0.000 . 1 . . . . . 16 Gln N . 27380 1 27 . 1 1 18 18 HIS H H 1 6.937 0.000 . 1 . . . . . 17 His H . 27380 1 28 . 1 1 18 18 HIS N N 15 118.511 0.000 . 1 . . . . . 17 His N . 27380 1 29 . 1 1 19 19 CYS H H 1 8.297 0.000 . 1 . . . . . 18 Cys H . 27380 1 30 . 1 1 19 19 CYS N N 15 119.625 0.000 . 1 . . . . . 18 Cys N . 27380 1 31 . 1 1 20 20 LEU H H 1 7.404 0.000 . 1 . . . . . 19 Leu H . 27380 1 32 . 1 1 20 20 LEU N N 15 118.238 0.000 . 1 . . . . . 19 Leu N . 27380 1 33 . 1 1 22 22 ASN H H 1 9.065 0.000 . 1 . . . . . 21 Asn H . 27380 1 34 . 1 1 22 22 ASN N N 15 119.994 0.000 . 1 . . . . . 21 Asn N . 27380 1 35 . 1 1 24 24 LEU H H 1 7.897 0.000 . 1 . . . . . 23 Leu H . 27380 1 36 . 1 1 24 24 LEU N N 15 115.144 0.000 . 1 . . . . . 23 Leu N . 27380 1 37 . 1 1 25 25 GLN H H 1 8.433 0.000 . 1 . . . . . 24 Gln H . 27380 1 38 . 1 1 25 25 GLN N N 15 116.513 0.000 . 1 . . . . . 24 Gln N . 27380 1 39 . 1 1 26 26 GLY H H 1 7.596 0.000 . 1 . . . . . 25 Gly H . 27380 1 40 . 1 1 26 26 GLY N N 15 106.170 0.000 . 1 . . . . . 25 Gly N . 27380 1 41 . 1 1 27 27 GLU H H 1 7.782 0.000 . 1 . . . . . 26 Glu H . 27380 1 42 . 1 1 27 27 GLU N N 15 118.992 0.000 . 1 . . . . . 26 Glu N . 27380 1 43 . 1 1 28 28 TYR H H 1 7.645 0.000 . 1 . . . . . 27 Tyr H . 27380 1 44 . 1 1 28 28 TYR N N 15 124.229 0.000 . 1 . . . . . 27 Tyr N . 27380 1 45 . 1 1 29 29 PHE H H 1 10.212 0.000 . 1 . . . . . 28 Phe H . 27380 1 46 . 1 1 29 29 PHE N N 15 118.937 0.000 . 1 . . . . . 28 Phe N . 27380 1 47 . 1 1 30 30 SER H H 1 8.487 0.000 . 1 . . . . . 29 Ser H . 27380 1 48 . 1 1 30 30 SER N N 15 119.665 0.000 . 1 . . . . . 29 Ser N . 27380 1 49 . 1 1 32 32 VAL H H 1 7.703 0.000 . 1 . . . . . 31 Val H . 27380 1 50 . 1 1 32 32 VAL N N 15 117.295 0.000 . 1 . . . . . 31 Val N . 27380 1 51 . 1 1 33 33 GLU H H 1 7.940 0.000 . 1 . . . . . 32 Glu H . 27380 1 52 . 1 1 33 33 GLU N N 15 121.037 0.000 . 1 . . . . . 32 Glu N . 27380 1 53 . 1 1 34 34 LEU H H 1 7.297 0.000 . 1 . . . . . 33 Leu H . 27380 1 54 . 1 1 34 34 LEU N N 15 116.822 0.000 . 1 . . . . . 33 Leu N . 27380 1 55 . 1 1 35 35 SER H H 1 8.373 0.000 . 1 . . . . . 34 Ser H . 27380 1 56 . 1 1 35 35 SER N N 15 114.929 0.000 . 1 . . . . . 34 Ser N . 27380 1 57 . 1 1 36 36 SER H H 1 8.021 0.000 . 1 . . . . . 35 Ser H . 27380 1 58 . 1 1 36 36 SER N N 15 118.068 0.000 . 1 . . . . . 35 Ser N . 27380 1 59 . 1 1 37 37 ILE H H 1 7.729 0.000 . 1 . . . . . 36 Ile H . 27380 1 60 . 1 1 37 37 ILE N N 15 122.808 0.000 . 1 . . . . . 36 Ile N . 27380 1 61 . 1 1 38 38 ALA H H 1 8.268 0.000 . 1 . . . . . 37 Ala H . 27380 1 62 . 1 1 38 38 ALA N N 15 121.410 0.000 . 1 . . . . . 37 Ala N . 27380 1 63 . 1 1 39 39 HIS H H 1 8.593 0.000 . 1 . . . . . 38 His H . 27380 1 64 . 1 1 39 39 HIS N N 15 114.955 0.000 . 1 . . . . . 38 His N . 27380 1 65 . 1 1 40 40 GLN H H 1 8.132 0.000 . 1 . . . . . 39 Gln H . 27380 1 66 . 1 1 40 40 GLN N N 15 120.857 0.000 . 1 . . . . . 39 Gln N . 27380 1 67 . 1 1 41 41 LEU H H 1 8.196 0.000 . 1 . . . . . 40 Leu H . 27380 1 68 . 1 1 41 41 LEU N N 15 120.632 0.000 . 1 . . . . . 40 Leu N . 27380 1 69 . 1 1 42 42 ASP H H 1 8.462 0.000 . 1 . . . . . 41 Asp H . 27380 1 70 . 1 1 42 42 ASP N N 15 121.331 0.000 . 1 . . . . . 41 Asp N . 27380 1 71 . 1 1 43 43 GLU H H 1 8.192 0.000 . 1 . . . . . 42 Glu H . 27380 1 72 . 1 1 43 43 GLU N N 15 121.293 0.000 . 1 . . . . . 42 Glu N . 27380 1 73 . 1 1 44 44 GLU H H 1 8.226 0.000 . 1 . . . . . 43 Glu H . 27380 1 74 . 1 1 44 44 GLU N N 15 120.186 0.000 . 1 . . . . . 43 Glu N . 27380 1 75 . 1 1 45 45 GLU H H 1 8.091 0.000 . 1 . . . . . 44 Glu H . 27380 1 76 . 1 1 45 45 GLU N N 15 120.254 0.000 . 1 . . . . . 44 Glu N . 27380 1 77 . 1 1 47 47 MET H H 1 8.218 0.000 . 1 . . . . . 46 Met H . 27380 1 78 . 1 1 47 47 MET N N 15 117.907 0.000 . 1 . . . . . 46 Met N . 27380 1 79 . 1 1 48 48 ARG H H 1 7.885 0.000 . 1 . . . . . 47 Arg H . 27380 1 80 . 1 1 48 48 ARG N N 15 119.977 0.000 . 1 . . . . . 47 Arg N . 27380 1 81 . 1 1 49 49 MET H H 1 8.065 0.000 . 1 . . . . . 48 Met H . 27380 1 82 . 1 1 49 49 MET N N 15 118.488 0.000 . 1 . . . . . 48 Met N . 27380 1 83 . 1 1 50 50 ALA H H 1 8.022 0.000 . 1 . . . . . 49 Ala H . 27380 1 84 . 1 1 50 50 ALA N N 15 122.435 0.000 . 1 . . . . . 49 Ala N . 27380 1 85 . 1 1 51 51 GLU H H 1 7.885 0.000 . 1 . . . . . 50 Glu H . 27380 1 86 . 1 1 51 51 GLU N N 15 119.017 0.000 . 1 . . . . . 50 Glu N . 27380 1 87 . 1 1 52 52 GLY H H 1 8.032 0.000 . 1 . . . . . 51 Gly H . 27380 1 88 . 1 1 52 52 GLY N N 15 107.379 0.000 . 1 . . . . . 51 Gly N . 27380 1 89 . 1 1 53 53 GLY H H 1 8.017 0.000 . 1 . . . . . 52 Gly H . 27380 1 90 . 1 1 53 53 GLY CA C 13 45.172 0.000 . 1 . . . . . 52 Gly CA . 27380 1 91 . 1 1 53 53 GLY N N 15 108.717 0.000 . 1 . . . . . 52 Gly N . 27380 1 92 . 1 1 54 54 VAL H H 1 8.049 0.000 . 1 . . . . . 53 Val H . 27380 1 93 . 1 1 54 54 VAL CA C 13 62.350 0.000 . 1 . . . . . 53 Val CA . 27380 1 94 . 1 1 54 54 VAL CB C 13 32.367 0.000 . 1 . . . . . 53 Val CB . 27380 1 95 . 1 1 54 54 VAL N N 15 118.729 0.009 . 1 . . . . . 53 Val N . 27380 1 96 . 1 1 55 55 THR H H 1 8.273 0.000 . 1 . . . . . 54 Thr H . 27380 1 97 . 1 1 55 55 THR N N 15 115.030 0.000 . 1 . . . . . 54 Thr N . 27380 1 98 . 1 1 56 56 SER H H 1 8.228 0.000 . 1 . . . . . 55 Ser H . 27380 1 99 . 1 1 56 56 SER N N 15 117.910 0.000 . 1 . . . . . 55 Ser N . 27380 1 100 . 1 1 57 57 GLU H H 1 8.707 0.000 . 1 . . . . . 56 Glu H . 27380 1 101 . 1 1 57 57 GLU N N 15 122.905 0.000 . 1 . . . . . 56 Glu N . 27380 1 102 . 1 1 58 58 ASP H H 1 8.246 0.000 . 1 . . . . . 57 Asp H . 27380 1 103 . 1 1 58 58 ASP N N 15 119.771 0.000 . 1 . . . . . 57 Asp N . 27380 1 104 . 1 1 59 59 TYR H H 1 8.077 0.000 . 1 . . . . . 58 Tyr H . 27380 1 105 . 1 1 59 59 TYR N N 15 121.585 0.000 . 1 . . . . . 58 Tyr N . 27380 1 106 . 1 1 60 60 ARG H H 1 8.016 0.000 . 1 . . . . . 59 Arg H . 27380 1 107 . 1 1 60 60 ARG N N 15 119.582 0.000 . 1 . . . . . 59 Arg N . 27380 1 108 . 1 1 61 61 THR H H 1 8.074 0.000 . 1 . . . . . 60 Thr H . 27380 1 109 . 1 1 61 61 THR N N 15 114.045 0.000 . 1 . . . . . 60 Thr N . 27380 1 110 . 1 1 62 62 PHE H H 1 7.944 0.000 . 1 . . . . . 61 Phe H . 27380 1 111 . 1 1 62 62 PHE N N 15 122.586 0.000 . 1 . . . . . 61 Phe N . 27380 1 112 . 1 1 63 63 LEU H H 1 7.941 0.002 . 1 . . . . . 62 Leu H . 27380 1 113 . 1 1 63 63 LEU CA C 13 55.760 0.000 . 1 . . . . . 62 Leu CA . 27380 1 114 . 1 1 63 63 LEU CB C 13 42.269 0.000 . 1 . . . . . 62 Leu CB . 27380 1 115 . 1 1 63 63 LEU N N 15 120.371 0.021 . 1 . . . . . 62 Leu N . 27380 1 116 . 1 1 64 64 GLN H H 1 7.780 0.000 . 1 . . . . . 63 Gln H . 27380 1 117 . 1 1 64 64 GLN N N 15 117.692 0.000 . 1 . . . . . 63 Gln N . 27380 1 118 . 1 1 65 65 GLN H H 1 7.909 0.000 . 1 . . . . . 64 Gln H . 27380 1 119 . 1 1 65 65 GLN N N 15 121.088 0.000 . 1 . . . . . 64 Gln N . 27380 1 120 . 1 1 67 67 SER H H 1 8.411 0.000 . 1 . . . . . 66 Ser H . 27380 1 121 . 1 1 67 67 SER N N 15 115.419 0.000 . 1 . . . . . 66 Ser N . 27380 1 122 . 1 1 68 68 GLY H H 1 8.708 0.000 . 1 . . . . . 67 Gly H . 27380 1 123 . 1 1 68 68 GLY N N 15 112.314 0.000 . 1 . . . . . 67 Gly N . 27380 1 124 . 1 1 69 69 ASN H H 1 9.014 0.000 . 1 . . . . . 68 Asn H . 27380 1 125 . 1 1 69 69 ASN N N 15 118.481 0.000 . 1 . . . . . 68 Asn N . 27380 1 126 . 1 1 70 70 MET H H 1 8.060 0.000 . 1 . . . . . 69 Met H . 27380 1 127 . 1 1 70 70 MET N N 15 117.237 0.000 . 1 . . . . . 69 Met N . 27380 1 128 . 1 1 71 71 ASP H H 1 7.980 0.000 . 1 . . . . . 70 Asp H . 27380 1 129 . 1 1 71 71 ASP N N 15 119.627 0.000 . 1 . . . . . 70 Asp N . 27380 1 130 . 1 1 72 72 ASP H H 1 8.311 0.000 . 1 . . . . . 71 Asp H . 27380 1 131 . 1 1 72 72 ASP N N 15 118.143 0.000 . 1 . . . . . 71 Asp N . 27380 1 132 . 1 1 73 73 SER H H 1 8.631 0.000 . 1 . . . . . 72 Ser H . 27380 1 133 . 1 1 73 73 SER N N 15 116.298 0.000 . 1 . . . . . 72 Ser N . 27380 1 134 . 1 1 74 74 GLY H H 1 7.915 0.000 . 1 . . . . . 73 Gly H . 27380 1 135 . 1 1 74 74 GLY N N 15 108.542 0.000 . 1 . . . . . 73 Gly N . 27380 1 136 . 1 1 75 75 PHE H H 1 7.924 0.000 . 1 . . . . . 74 Phe H . 27380 1 137 . 1 1 75 75 PHE N N 15 121.241 0.000 . 1 . . . . . 74 Phe N . 27380 1 138 . 1 1 76 76 PHE H H 1 7.624 0.000 . 1 . . . . . 75 Phe H . 27380 1 139 . 1 1 76 76 PHE N N 15 122.371 0.000 . 1 . . . . . 75 Phe N . 27380 1 140 . 1 1 77 77 SER H H 1 7.928 0.000 . 1 . . . . . 76 Ser H . 27380 1 141 . 1 1 77 77 SER N N 15 115.519 0.000 . 1 . . . . . 76 Ser N . 27380 1 142 . 1 1 78 78 ILE H H 1 8.992 0.000 . 1 . . . . . 77 Ile H . 27380 1 143 . 1 1 78 78 ILE N N 15 119.288 0.000 . 1 . . . . . 77 Ile N . 27380 1 144 . 1 1 80 80 VAL H H 1 7.507 0.000 . 1 . . . . . 79 Val H . 27380 1 145 . 1 1 80 80 VAL N N 15 121.155 0.000 . 1 . . . . . 79 Val N . 27380 1 146 . 1 1 81 81 ILE H H 1 7.074 0.000 . 1 . . . . . 80 Ile H . 27380 1 147 . 1 1 81 81 ILE N N 15 119.305 0.000 . 1 . . . . . 80 Ile N . 27380 1 148 . 1 1 82 82 SER H H 1 8.765 0.000 . 1 . . . . . 81 Ser H . 27380 1 149 . 1 1 82 82 SER N N 15 113.243 0.000 . 1 . . . . . 81 Ser N . 27380 1 150 . 1 1 84 84 ALA H H 1 8.365 0.000 . 1 . . . . . 83 Ala H . 27380 1 151 . 1 1 84 84 ALA N N 15 123.842 0.000 . 1 . . . . . 83 Ala N . 27380 1 152 . 1 1 85 85 LEU H H 1 7.644 0.000 . 1 . . . . . 84 Leu H . 27380 1 153 . 1 1 85 85 LEU N N 15 113.133 0.000 . 1 . . . . . 84 Leu N . 27380 1 154 . 1 1 86 86 LYS H H 1 7.969 0.000 . 1 . . . . . 85 Lys H . 27380 1 155 . 1 1 86 86 LYS N N 15 122.548 0.000 . 1 . . . . . 85 Lys N . 27380 1 156 . 1 1 87 87 VAL H H 1 7.319 0.000 . 1 . . . . . 86 Val H . 27380 1 157 . 1 1 87 87 VAL N N 15 117.852 0.000 . 1 . . . . . 86 Val N . 27380 1 158 . 1 1 88 88 TRP H H 1 7.281 0.000 . 1 . . . . . 87 Trp H . 27380 1 159 . 1 1 88 88 TRP N N 15 119.171 0.000 . 1 . . . . . 87 Trp N . 27380 1 160 . 1 1 89 89 GLY H H 1 8.075 0.000 . 1 . . . . . 88 Gly H . 27380 1 161 . 1 1 89 89 GLY N N 15 108.487 0.000 . 1 . . . . . 88 Gly N . 27380 1 162 . 1 1 90 90 LEU H H 1 7.271 0.000 . 1 . . . . . 89 Leu H . 27380 1 163 . 1 1 90 90 LEU N N 15 118.852 0.000 . 1 . . . . . 89 Leu N . 27380 1 164 . 1 1 91 91 GLU H H 1 8.704 0.000 . 1 . . . . . 90 Glu H . 27380 1 165 . 1 1 91 91 GLU N N 15 121.156 0.000 . 1 . . . . . 90 Glu N . 27380 1 166 . 1 1 92 92 LEU H H 1 8.616 0.000 . 1 . . . . . 91 Leu H . 27380 1 167 . 1 1 92 92 LEU N N 15 121.644 0.000 . 1 . . . . . 91 Leu N . 27380 1 168 . 1 1 93 93 ILE H H 1 8.998 0.000 . 1 . . . . . 92 Ile H . 27380 1 169 . 1 1 93 93 ILE N N 15 123.543 0.000 . 1 . . . . . 92 Ile N . 27380 1 170 . 1 1 94 94 LEU H H 1 9.163 0.000 . 1 . . . . . 93 Leu H . 27380 1 171 . 1 1 94 94 LEU N N 15 129.817 0.000 . 1 . . . . . 93 Leu N . 27380 1 172 . 1 1 95 95 PHE H H 1 9.040 0.000 . 1 . . . . . 94 Phe H . 27380 1 173 . 1 1 95 95 PHE N N 15 129.990 0.000 . 1 . . . . . 94 Phe N . 27380 1 174 . 1 1 97 97 SER H H 1 7.734 0.000 . 1 . . . . . 96 Ser H . 27380 1 175 . 1 1 97 97 SER N N 15 116.060 0.000 . 1 . . . . . 96 Ser N . 27380 1 176 . 1 1 99 99 GLU H H 1 8.938 0.000 . 1 . . . . . 98 Glu H . 27380 1 177 . 1 1 99 99 GLU N N 15 115.921 0.000 . 1 . . . . . 98 Glu N . 27380 1 178 . 1 1 100 100 TYR H H 1 7.520 0.000 . 1 . . . . . 99 Tyr H . 27380 1 179 . 1 1 100 100 TYR N N 15 119.191 0.000 . 1 . . . . . 99 Tyr N . 27380 1 180 . 1 1 101 101 GLN H H 1 8.646 0.000 . 1 . . . . . 100 Gln H . 27380 1 181 . 1 1 101 101 GLN N N 15 119.470 0.000 . 1 . . . . . 100 Gln N . 27380 1 182 . 1 1 102 102 ARG H H 1 7.916 0.000 . 1 . . . . . 101 Arg H . 27380 1 183 . 1 1 102 102 ARG N N 15 116.958 0.000 . 1 . . . . . 101 Arg N . 27380 1 184 . 1 1 103 103 LEU H H 1 7.304 0.000 . 1 . . . . . 102 Leu H . 27380 1 185 . 1 1 103 103 LEU N N 15 117.855 0.000 . 1 . . . . . 102 Leu N . 27380 1 186 . 1 1 104 104 ARG H H 1 7.480 0.000 . 1 . . . . . 103 Arg H . 27380 1 187 . 1 1 104 104 ARG N N 15 114.155 0.000 . 1 . . . . . 103 Arg N . 27380 1 188 . 1 1 105 105 ILE H H 1 8.241 0.000 . 1 . . . . . 104 Ile H . 27380 1 189 . 1 1 105 105 ILE N N 15 121.499 0.000 . 1 . . . . . 104 Ile N . 27380 1 190 . 1 1 106 106 ASP H H 1 8.986 0.000 . 1 . . . . . 105 Asp H . 27380 1 191 . 1 1 106 106 ASP N N 15 132.590 0.000 . 1 . . . . . 105 Asp N . 27380 1 192 . 1 1 108 108 ILE H H 1 7.703 0.000 . 1 . . . . . 107 Ile H . 27380 1 193 . 1 1 108 108 ILE N N 15 109.487 0.000 . 1 . . . . . 107 Ile N . 27380 1 194 . 1 1 109 109 ASN H H 1 8.671 0.000 . 1 . . . . . 108 Asn H . 27380 1 195 . 1 1 109 109 ASN N N 15 117.248 0.000 . 1 . . . . . 108 Asn N . 27380 1 196 . 1 1 110 110 GLU H H 1 7.679 0.000 . 1 . . . . . 109 Glu H . 27380 1 197 . 1 1 110 110 GLU N N 15 120.867 0.000 . 1 . . . . . 109 Glu N . 27380 1 198 . 1 1 111 111 ARG H H 1 8.729 0.000 . 1 . . . . . 110 Arg H . 27380 1 199 . 1 1 111 111 ARG N N 15 113.236 0.000 . 1 . . . . . 110 Arg N . 27380 1 200 . 1 1 112 112 SER H H 1 7.936 0.000 . 1 . . . . . 111 Ser H . 27380 1 201 . 1 1 112 112 SER N N 15 109.911 0.000 . 1 . . . . . 111 Ser N . 27380 1 202 . 1 1 113 113 PHE H H 1 9.401 0.000 . 1 . . . . . 112 Phe H . 27380 1 203 . 1 1 113 113 PHE N N 15 119.306 0.000 . 1 . . . . . 112 Phe N . 27380 1 204 . 1 1 114 114 ILE H H 1 9.473 0.000 . 1 . . . . . 113 Ile H . 27380 1 205 . 1 1 114 114 ILE N N 15 119.158 0.000 . 1 . . . . . 113 Ile N . 27380 1 206 . 1 1 115 115 CYS H H 1 9.012 0.000 . 1 . . . . . 114 Cys H . 27380 1 207 . 1 1 115 115 CYS N N 15 123.308 0.000 . 1 . . . . . 114 Cys N . 27380 1 208 . 1 1 116 116 ASN H H 1 9.131 0.000 . 1 . . . . . 115 Asn H . 27380 1 209 . 1 1 116 116 ASN N N 15 120.444 0.000 . 1 . . . . . 115 Asn N . 27380 1 210 . 1 1 117 117 TYR H H 1 8.292 0.000 . 1 . . . . . 116 Tyr H . 27380 1 211 . 1 1 117 117 TYR N N 15 128.148 0.000 . 1 . . . . . 116 Tyr N . 27380 1 212 . 1 1 118 118 LYS H H 1 8.878 0.000 . 1 . . . . . 117 Lys H . 27380 1 213 . 1 1 118 118 LYS N N 15 126.649 0.000 . 1 . . . . . 117 Lys N . 27380 1 214 . 1 1 119 119 GLU H H 1 9.188 0.000 . 1 . . . . . 118 Glu H . 27380 1 215 . 1 1 119 119 GLU N N 15 123.654 0.000 . 1 . . . . . 118 Glu N . 27380 1 216 . 1 1 120 120 HIS H H 1 8.547 0.000 . 1 . . . . . 119 His H . 27380 1 217 . 1 1 120 120 HIS N N 15 121.551 0.000 . 1 . . . . . 119 His N . 27380 1 218 . 1 1 121 121 TRP H H 1 7.590 0.000 . 1 . . . . . 120 Trp H . 27380 1 219 . 1 1 121 121 TRP N N 15 129.889 0.000 . 1 . . . . . 120 Trp N . 27380 1 220 . 1 1 122 122 PHE H H 1 9.265 0.000 . 1 . . . . . 121 Phe H . 27380 1 221 . 1 1 122 122 PHE N N 15 116.289 0.000 . 1 . . . . . 121 Phe N . 27380 1 222 . 1 1 123 123 THR H H 1 8.817 0.000 . 1 . . . . . 122 Thr H . 27380 1 223 . 1 1 123 123 THR N N 15 119.349 0.000 . 1 . . . . . 122 Thr N . 27380 1 224 . 1 1 124 124 VAL H H 1 8.785 0.000 . 1 . . . . . 123 Val H . 27380 1 225 . 1 1 124 124 VAL N N 15 128.559 0.000 . 1 . . . . . 123 Val N . 27380 1 226 . 1 1 126 126 LYS H H 1 8.058 0.000 . 1 . . . . . 125 Lys H . 27380 1 227 . 1 1 126 126 LYS N N 15 128.365 0.000 . 1 . . . . . 125 Lys N . 27380 1 228 . 1 1 127 127 LEU H H 1 9.381 0.000 . 1 . . . . . 126 Leu H . 27380 1 229 . 1 1 127 127 LEU N N 15 132.780 0.000 . 1 . . . . . 126 Leu N . 27380 1 230 . 1 1 128 128 GLY H H 1 9.454 0.000 . 1 . . . . . 127 Gly H . 27380 1 231 . 1 1 128 128 GLY N N 15 114.797 0.000 . 1 . . . . . 127 Gly N . 27380 1 232 . 1 1 129 129 LYS H H 1 8.826 0.000 . 1 . . . . . 128 Lys H . 27380 1 233 . 1 1 129 129 LYS N N 15 124.204 0.000 . 1 . . . . . 128 Lys N . 27380 1 234 . 1 1 130 130 GLN H H 1 7.796 0.000 . 1 . . . . . 129 Gln H . 27380 1 235 . 1 1 130 130 GLN N N 15 119.674 0.000 . 1 . . . . . 129 Gln N . 27380 1 236 . 1 1 131 131 TRP H H 1 8.868 0.000 . 1 . . . . . 130 Trp H . 27380 1 237 . 1 1 131 131 TRP N N 15 122.936 0.000 . 1 . . . . . 130 Trp N . 27380 1 238 . 1 1 132 132 PHE H H 1 8.986 0.000 . 1 . . . . . 131 Phe H . 27380 1 239 . 1 1 132 132 PHE N N 15 116.552 0.000 . 1 . . . . . 131 Phe N . 27380 1 240 . 1 1 133 133 ASN H H 1 9.764 0.000 . 1 . . . . . 132 Asn H . 27380 1 241 . 1 1 133 133 ASN N N 15 121.031 0.000 . 1 . . . . . 132 Asn N . 27380 1 242 . 1 1 134 134 LEU H H 1 8.663 0.000 . 1 . . . . . 133 Leu H . 27380 1 243 . 1 1 134 134 LEU N N 15 123.029 0.000 . 1 . . . . . 133 Leu N . 27380 1 244 . 1 1 135 135 ASN H H 1 8.841 0.000 . 1 . . . . . 134 Asn H . 27380 1 245 . 1 1 135 135 ASN N N 15 122.051 0.000 . 1 . . . . . 134 Asn N . 27380 1 246 . 1 1 136 136 SER H H 1 8.433 0.000 . 1 . . . . . 135 Ser H . 27380 1 247 . 1 1 136 136 SER N N 15 124.517 0.000 . 1 . . . . . 135 Ser N . 27380 1 248 . 1 1 137 137 LEU H H 1 7.686 0.000 . 1 . . . . . 136 Leu H . 27380 1 249 . 1 1 137 137 LEU N N 15 121.462 0.000 . 1 . . . . . 136 Leu N . 27380 1 250 . 1 1 138 138 LEU H H 1 7.161 0.000 . 1 . . . . . 137 Leu H . 27380 1 251 . 1 1 138 138 LEU N N 15 117.990 0.000 . 1 . . . . . 137 Leu N . 27380 1 252 . 1 1 139 139 THR H H 1 8.568 0.000 . 1 . . . . . 138 Thr H . 27380 1 253 . 1 1 139 139 THR N N 15 110.248 0.000 . 1 . . . . . 138 Thr N . 27380 1 254 . 1 1 140 140 GLY H H 1 7.321 0.000 . 1 . . . . . 139 Gly H . 27380 1 255 . 1 1 140 140 GLY N N 15 107.696 0.000 . 1 . . . . . 139 Gly N . 27380 1 256 . 1 1 143 143 LEU H H 1 8.642 0.000 . 1 . . . . . 142 Leu H . 27380 1 257 . 1 1 143 143 LEU N N 15 129.626 0.000 . 1 . . . . . 142 Leu N . 27380 1 258 . 1 1 144 144 ILE H H 1 8.586 0.000 . 1 . . . . . 143 Ile H . 27380 1 259 . 1 1 144 144 ILE N N 15 128.375 0.000 . 1 . . . . . 143 Ile N . 27380 1 260 . 1 1 145 145 SER H H 1 8.814 0.000 . 1 . . . . . 144 Ser H . 27380 1 261 . 1 1 145 145 SER N N 15 122.051 0.000 . 1 . . . . . 144 Ser N . 27380 1 262 . 1 1 146 146 ASP H H 1 9.093 0.000 . 1 . . . . . 145 Asp H . 27380 1 263 . 1 1 146 146 ASP N N 15 125.983 0.000 . 1 . . . . . 145 Asp N . 27380 1 264 . 1 1 147 147 THR H H 1 7.810 0.000 . 1 . . . . . 146 Thr H . 27380 1 265 . 1 1 147 147 THR N N 15 107.053 0.000 . 1 . . . . . 146 Thr N . 27380 1 266 . 1 1 148 148 TYR H H 1 7.898 0.000 . 1 . . . . . 147 Tyr H . 27380 1 267 . 1 1 148 148 TYR N N 15 122.043 0.000 . 1 . . . . . 147 Tyr N . 27380 1 268 . 1 1 149 149 LEU H H 1 7.021 0.000 . 1 . . . . . 148 Leu H . 27380 1 269 . 1 1 149 149 LEU N N 15 120.203 0.000 . 1 . . . . . 148 Leu N . 27380 1 270 . 1 1 150 150 ALA H H 1 8.860 0.000 . 1 . . . . . 149 Ala H . 27380 1 271 . 1 1 150 150 ALA N N 15 117.405 0.000 . 1 . . . . . 149 Ala N . 27380 1 272 . 1 1 151 151 LEU H H 1 7.340 0.000 . 1 . . . . . 150 Leu H . 27380 1 273 . 1 1 151 151 LEU N N 15 120.397 0.000 . 1 . . . . . 150 Leu N . 27380 1 274 . 1 1 152 152 PHE H H 1 8.346 0.000 . 1 . . . . . 151 Phe H . 27380 1 275 . 1 1 152 152 PHE N N 15 122.671 0.000 . 1 . . . . . 151 Phe N . 27380 1 276 . 1 1 153 153 LEU H H 1 7.918 0.000 . 1 . . . . . 152 Leu H . 27380 1 277 . 1 1 153 153 LEU N N 15 116.759 0.000 . 1 . . . . . 152 Leu N . 27380 1 278 . 1 1 154 154 ALA H H 1 7.679 0.000 . 1 . . . . . 153 Ala H . 27380 1 279 . 1 1 154 154 ALA N N 15 120.768 0.000 . 1 . . . . . 153 Ala N . 27380 1 280 . 1 1 155 155 GLN H H 1 8.368 0.000 . 1 . . . . . 154 Gln H . 27380 1 281 . 1 1 155 155 GLN N N 15 120.452 0.000 . 1 . . . . . 154 Gln N . 27380 1 282 . 1 1 156 156 LEU H H 1 7.660 0.000 . 1 . . . . . 155 Leu H . 27380 1 283 . 1 1 156 156 LEU N N 15 119.295 0.000 . 1 . . . . . 155 Leu N . 27380 1 284 . 1 1 157 157 GLN H H 1 7.908 0.000 . 1 . . . . . 156 Gln H . 27380 1 285 . 1 1 157 157 GLN N N 15 119.307 0.000 . 1 . . . . . 156 Gln N . 27380 1 286 . 1 1 158 158 GLN H H 1 8.053 0.000 . 1 . . . . . 157 Gln H . 27380 1 287 . 1 1 158 158 GLN N N 15 121.343 0.000 . 1 . . . . . 157 Gln N . 27380 1 288 . 1 1 159 159 GLU H H 1 7.659 0.000 . 1 . . . . . 158 Glu H . 27380 1 289 . 1 1 159 159 GLU N N 15 117.776 0.000 . 1 . . . . . 158 Glu N . 27380 1 290 . 1 1 160 160 GLY H H 1 7.528 0.000 . 1 . . . . . 159 Gly H . 27380 1 291 . 1 1 160 160 GLY N N 15 104.019 0.000 . 1 . . . . . 159 Gly N . 27380 1 292 . 1 1 161 161 TYR H H 1 8.147 0.000 . 1 . . . . . 160 Tyr H . 27380 1 293 . 1 1 161 161 TYR N N 15 119.626 0.000 . 1 . . . . . 160 Tyr N . 27380 1 294 . 1 1 162 162 SER H H 1 9.229 0.000 . 1 . . . . . 161 Ser H . 27380 1 295 . 1 1 162 162 SER N N 15 117.452 0.000 . 1 . . . . . 161 Ser N . 27380 1 296 . 1 1 163 163 ILE H H 1 8.311 0.000 . 1 . . . . . 162 Ile H . 27380 1 297 . 1 1 163 163 ILE N N 15 124.763 0.000 . 1 . . . . . 162 Ile N . 27380 1 298 . 1 1 164 164 PHE H H 1 9.812 0.000 . 1 . . . . . 163 Phe H . 27380 1 299 . 1 1 164 164 PHE N N 15 126.059 0.000 . 1 . . . . . 163 Phe N . 27380 1 300 . 1 1 165 165 VAL H H 1 9.828 0.000 . 1 . . . . . 164 Val H . 27380 1 301 . 1 1 165 165 VAL N N 15 124.788 0.000 . 1 . . . . . 164 Val N . 27380 1 302 . 1 1 166 166 VAL H H 1 7.924 0.000 . 1 . . . . . 165 Val H . 27380 1 303 . 1 1 166 166 VAL N N 15 126.657 0.000 . 1 . . . . . 165 Val N . 27380 1 304 . 1 1 167 167 LYS H H 1 9.424 0.000 . 1 . . . . . 166 Lys H . 27380 1 305 . 1 1 167 167 LYS N N 15 130.330 0.000 . 1 . . . . . 166 Lys N . 27380 1 306 . 1 1 168 168 GLY H H 1 8.291 0.000 . 1 . . . . . 167 Gly H . 27380 1 307 . 1 1 168 168 GLY N N 15 111.666 0.000 . 1 . . . . . 167 Gly N . 27380 1 308 . 1 1 169 169 ASP H H 1 8.384 0.000 . 1 . . . . . 168 Asp H . 27380 1 309 . 1 1 169 169 ASP N N 15 119.352 0.000 . 1 . . . . . 168 Asp N . 27380 1 310 . 1 1 170 170 LEU H H 1 7.823 0.000 . 1 . . . . . 169 Leu H . 27380 1 311 . 1 1 170 170 LEU N N 15 125.719 0.000 . 1 . . . . . 169 Leu N . 27380 1 312 . 1 1 172 172 ASP H H 1 8.796 0.000 . 1 . . . . . 171 Asp H . 27380 1 313 . 1 1 172 172 ASP N N 15 123.496 0.000 . 1 . . . . . 171 Asp N . 27380 1 314 . 1 1 174 174 GLU H H 1 9.021 0.000 . 1 . . . . . 173 Glu H . 27380 1 315 . 1 1 174 174 GLU N N 15 122.727 0.000 . 1 . . . . . 173 Glu N . 27380 1 316 . 1 1 175 175 ALA H H 1 8.602 0.000 . 1 . . . . . 174 Ala H . 27380 1 317 . 1 1 175 175 ALA N N 15 119.721 0.000 . 1 . . . . . 174 Ala N . 27380 1 318 . 1 1 177 177 GLN H H 1 7.617 0.000 . 1 . . . . . 176 Gln H . 27380 1 319 . 1 1 177 177 GLN N N 15 116.246 0.000 . 1 . . . . . 176 Gln N . 27380 1 320 . 1 1 181 181 MET H H 1 7.938 0.000 . 1 . . . . . 180 Met H . 27380 1 321 . 1 1 181 181 MET N N 15 119.321 0.000 . 1 . . . . . 180 Met N . 27380 1 322 . 1 1 183 183 ARG CB C 13 30.683 0.000 . 1 . . . . . 182 Arg CB . 27380 1 323 . 1 1 184 184 VAL H H 1 8.081 0.001 . 1 . . . . . 183 Val H . 27380 1 324 . 1 1 184 184 VAL CA C 13 62.418 0.000 . 1 . . . . . 183 Val CA . 27380 1 325 . 1 1 184 184 VAL CB C 13 32.701 0.000 . 1 . . . . . 183 Val CB . 27380 1 326 . 1 1 184 184 VAL N N 15 120.732 0.019 . 1 . . . . . 183 Val N . 27380 1 327 . 1 1 188 188 HIS H H 1 8.456 0.001 . 1 . . . . . 187 His H . 27380 1 328 . 1 1 188 188 HIS CA C 13 55.735 0.000 . 1 . . . . . 187 His CA . 27380 1 329 . 1 1 188 188 HIS CB C 13 30.382 0.000 . 1 . . . . . 187 His CB . 27380 1 330 . 1 1 188 188 HIS N N 15 123.261 0.004 . 1 . . . . . 187 His N . 27380 1 331 . 1 1 192 192 LEU H H 1 8.408 0.000 . 1 . . . . . 191 Leu H . 27380 1 332 . 1 1 192 192 LEU CA C 13 55.156 0.000 . 1 . . . . . 191 Leu CA . 27380 1 333 . 1 1 192 192 LEU CB C 13 40.794 0.000 . 1 . . . . . 191 Leu CB . 27380 1 334 . 1 1 192 192 LEU N N 15 122.588 0.000 . 1 . . . . . 191 Leu N . 27380 1 335 . 1 1 194 194 GLY H H 1 8.588 0.000 . 1 . . . . . 193 Gly H . 27380 1 336 . 1 1 194 194 GLY CA C 13 45.677 0.000 . 1 . . . . . 193 Gly CA . 27380 1 337 . 1 1 194 194 GLY N N 15 111.623 0.019 . 1 . . . . . 193 Gly N . 27380 1 338 . 1 1 195 195 GLU H H 1 8.213 0.000 . 1 . . . . . 194 Glu H . 27380 1 339 . 1 1 195 195 GLU CA C 13 56.703 0.000 . 1 . . . . . 194 Glu CA . 27380 1 340 . 1 1 195 195 GLU CB C 13 30.078 0.004 . 1 . . . . . 194 Glu CB . 27380 1 341 . 1 1 195 195 GLU N N 15 120.552 0.000 . 1 . . . . . 194 Glu N . 27380 1 342 . 1 1 196 196 GLU H H 1 8.511 0.000 . 1 . . . . . 195 Glu H . 27380 1 343 . 1 1 196 196 GLU CA C 13 57.510 0.001 . 1 . . . . . 195 Glu CA . 27380 1 344 . 1 1 196 196 GLU CB C 13 29.881 0.001 . 1 . . . . . 195 Glu CB . 27380 1 345 . 1 1 196 196 GLU N N 15 121.220 0.025 . 1 . . . . . 195 Glu N . 27380 1 346 . 1 1 197 197 LEU H H 1 8.123 0.001 . 1 . . . . . 196 Leu H . 27380 1 347 . 1 1 197 197 LEU CA C 13 55.886 0.001 . 1 . . . . . 196 Leu CA . 27380 1 348 . 1 1 197 197 LEU CB C 13 41.895 0.065 . 1 . . . . . 196 Leu CB . 27380 1 349 . 1 1 197 197 LEU N N 15 121.739 0.024 . 1 . . . . . 196 Leu N . 27380 1 350 . 1 1 198 198 ALA H H 1 8.074 0.001 . 1 . . . . . 197 Ala H . 27380 1 351 . 1 1 198 198 ALA CA C 13 53.515 0.009 . 1 . . . . . 197 Ala CA . 27380 1 352 . 1 1 198 198 ALA CB C 13 18.731 0.019 . 1 . . . . . 197 Ala CB . 27380 1 353 . 1 1 198 198 ALA N N 15 123.248 0.040 . 1 . . . . . 197 Ala N . 27380 1 354 . 1 1 199 199 GLN H H 1 8.122 0.001 . 1 . . . . . 198 Gln H . 27380 1 355 . 1 1 199 199 GLN CA C 13 56.610 0.010 . 1 . . . . . 198 Gln CA . 27380 1 356 . 1 1 199 199 GLN CB C 13 29.061 0.005 . 1 . . . . . 198 Gln CB . 27380 1 357 . 1 1 199 199 GLN N N 15 117.982 0.002 . 1 . . . . . 198 Gln N . 27380 1 358 . 1 1 200 200 LEU H H 1 8.026 0.000 . 1 . . . . . 199 Leu H . 27380 1 359 . 1 1 200 200 LEU CA C 13 55.813 0.001 . 1 . . . . . 199 Leu CA . 27380 1 360 . 1 1 200 200 LEU CB C 13 42.091 0.014 . 1 . . . . . 199 Leu CB . 27380 1 361 . 1 1 200 200 LEU N N 15 122.077 0.004 . 1 . . . . . 199 Leu N . 27380 1 362 . 1 1 201 201 LYS H H 1 8.151 0.000 . 1 . . . . . 200 Lys H . 27380 1 363 . 1 1 201 201 LYS CA C 13 57.082 0.000 . 1 . . . . . 200 Lys CA . 27380 1 364 . 1 1 201 201 LYS CB C 13 32.825 0.000 . 1 . . . . . 200 Lys CB . 27380 1 365 . 1 1 201 201 LYS N N 15 121.017 0.002 . 1 . . . . . 200 Lys N . 27380 1 366 . 1 1 203 203 GLN H H 1 8.261 0.000 . 1 . . . . . 202 Gln H . 27380 1 367 . 1 1 203 203 GLN CA C 13 56.034 0.000 . 1 . . . . . 202 Gln CA . 27380 1 368 . 1 1 203 203 GLN CB C 13 29.347 0.001 . 1 . . . . . 202 Gln CB . 27380 1 369 . 1 1 203 203 GLN N N 15 120.671 0.017 . 1 . . . . . 202 Gln N . 27380 1 370 . 1 1 204 204 ARG H H 1 8.247 0.000 . 1 . . . . . 203 Arg H . 27380 1 371 . 1 1 204 204 ARG CA C 13 63.524 0.000 . 1 . . . . . 203 Arg CA . 27380 1 372 . 1 1 204 204 ARG CB C 13 30.779 0.000 . 1 . . . . . 203 Arg CB . 27380 1 373 . 1 1 204 204 ARG N N 15 121.866 0.014 . 1 . . . . . 203 Arg N . 27380 1 374 . 1 1 205 205 VAL H H 1 8.025 0.000 . 1 . . . . . 204 Val H . 27380 1 375 . 1 1 205 205 VAL CA C 13 59.250 0.000 . 1 . . . . . 204 Val CA . 27380 1 376 . 1 1 205 205 VAL CB C 13 32.306 0.000 . 1 . . . . . 204 Val CB . 27380 1 377 . 1 1 205 205 VAL N N 15 119.034 0.000 . 1 . . . . . 204 Val N . 27380 1 378 . 1 1 207 207 LYS H H 1 8.378 0.000 . 1 . . . . . 206 Lys H . 27380 1 379 . 1 1 207 207 LYS CA C 13 56.620 0.000 . 1 . . . . . 206 Lys CA . 27380 1 380 . 1 1 207 207 LYS CB C 13 33.435 0.002 . 1 . . . . . 206 Lys CB . 27380 1 381 . 1 1 207 207 LYS N N 15 123.714 0.000 . 1 . . . . . 206 Lys N . 27380 1 382 . 1 1 208 208 THR H H 1 8.342 0.002 . 1 . . . . . 207 Thr H . 27380 1 383 . 1 1 208 208 THR CA C 13 61.901 0.015 . 1 . . . . . 207 Thr CA . 27380 1 384 . 1 1 208 208 THR CB C 13 69.954 0.001 . 1 . . . . . 207 Thr CB . 27380 1 385 . 1 1 208 208 THR N N 15 114.705 0.030 . 1 . . . . . 207 Thr N . 27380 1 386 . 1 1 209 209 ASP H H 1 8.417 0.002 . 1 . . . . . 208 Asp H . 27380 1 387 . 1 1 209 209 ASP CA C 13 55.163 0.009 . 1 . . . . . 208 Asp CA . 27380 1 388 . 1 1 209 209 ASP CB C 13 40.795 0.007 . 1 . . . . . 208 Asp CB . 27380 1 389 . 1 1 209 209 ASP N N 15 122.153 0.046 . 1 . . . . . 208 Asp N . 27380 1 390 . 1 1 210 210 LEU H H 1 8.104 0.000 . 1 . . . . . 209 Leu H . 27380 1 391 . 1 1 210 210 LEU CA C 13 56.621 0.000 . 1 . . . . . 209 Leu CA . 27380 1 392 . 1 1 210 210 LEU CB C 13 42.256 0.004 . 1 . . . . . 209 Leu CB . 27380 1 393 . 1 1 210 210 LEU N N 15 121.409 0.001 . 1 . . . . . 209 Leu N . 27380 1 394 . 1 1 211 211 GLU H H 1 8.171 0.000 . 1 . . . . . 210 Glu H . 27380 1 395 . 1 1 211 211 GLU CA C 13 57.225 0.000 . 1 . . . . . 210 Glu CA . 27380 1 396 . 1 1 211 211 GLU CB C 13 30.032 0.000 . 1 . . . . . 210 Glu CB . 27380 1 397 . 1 1 211 211 GLU N N 15 120.004 0.004 . 1 . . . . . 210 Glu N . 27380 1 398 . 1 1 212 212 ARG H H 1 8.051 0.000 . 1 . . . . . 211 Arg H . 27380 1 399 . 1 1 212 212 ARG N N 15 120.701 0.000 . 1 . . . . . 211 Arg N . 27380 1 400 . 1 1 213 213 VAL H H 1 8.075 0.000 . 1 . . . . . 212 Val H . 27380 1 401 . 1 1 213 213 VAL CA C 13 63.066 0.010 . 1 . . . . . 212 Val CA . 27380 1 402 . 1 1 213 213 VAL CB C 13 32.223 0.002 . 1 . . . . . 212 Val CB . 27380 1 403 . 1 1 213 213 VAL N N 15 121.363 0.000 . 1 . . . . . 212 Val N . 27380 1 404 . 1 1 214 214 LEU H H 1 8.243 0.002 . 1 . . . . . 213 Leu H . 27380 1 405 . 1 1 214 214 LEU CA C 13 55.487 0.001 . 1 . . . . . 213 Leu CA . 27380 1 406 . 1 1 214 214 LEU CB C 13 42.131 0.001 . 1 . . . . . 213 Leu CB . 27380 1 407 . 1 1 214 214 LEU N N 15 124.863 0.020 . 1 . . . . . 213 Leu N . 27380 1 408 . 1 1 215 215 GLU H H 1 8.245 0.001 . 1 . . . . . 214 Glu H . 27380 1 409 . 1 1 215 215 GLU CA C 13 56.631 0.001 . 1 . . . . . 214 Glu CA . 27380 1 410 . 1 1 215 215 GLU CB C 13 30.238 0.002 . 1 . . . . . 214 Glu CB . 27380 1 411 . 1 1 215 215 GLU N N 15 121.187 0.001 . 1 . . . . . 214 Glu N . 27380 1 412 . 1 1 216 216 ALA H H 1 8.191 0.001 . 1 . . . . . 215 Ala H . 27380 1 413 . 1 1 216 216 ALA CA C 13 52.656 0.001 . 1 . . . . . 215 Ala CA . 27380 1 414 . 1 1 216 216 ALA CB C 13 19.212 0.000 . 1 . . . . . 215 Ala CB . 27380 1 415 . 1 1 216 216 ALA N N 15 124.344 0.001 . 1 . . . . . 215 Ala N . 27380 1 416 . 1 1 217 217 ASN H H 1 8.381 0.000 . 1 . . . . . 216 Asn H . 27380 1 417 . 1 1 217 217 ASN CA C 13 53.248 0.063 . 1 . . . . . 216 Asn CA . 27380 1 418 . 1 1 217 217 ASN CB C 13 39.014 0.001 . 1 . . . . . 216 Asn CB . 27380 1 419 . 1 1 217 217 ASN N N 15 117.957 0.021 . 1 . . . . . 216 Asn N . 27380 1 420 . 1 1 218 218 ASP H H 1 8.291 0.003 . 1 . . . . . 217 Asp H . 27380 1 421 . 1 1 218 218 ASP CA C 13 54.336 0.057 . 1 . . . . . 217 Asp CA . 27380 1 422 . 1 1 218 218 ASP CB C 13 41.034 0.002 . 1 . . . . . 217 Asp CB . 27380 1 423 . 1 1 218 218 ASP N N 15 120.667 0.023 . 1 . . . . . 217 Asp N . 27380 1 424 . 1 1 219 219 GLY H H 1 8.417 0.001 . 1 . . . . . 218 Gly H . 27380 1 425 . 1 1 219 219 GLY CA C 13 45.628 0.039 . 1 . . . . . 218 Gly CA . 27380 1 426 . 1 1 219 219 GLY N N 15 109.405 0.074 . 1 . . . . . 218 Gly N . 27380 1 427 . 1 1 220 220 SER H H 1 8.297 0.001 . 1 . . . . . 219 Ser H . 27380 1 428 . 1 1 220 220 SER CA C 13 59.135 0.006 . 1 . . . . . 219 Ser CA . 27380 1 429 . 1 1 220 220 SER CB C 13 63.827 0.001 . 1 . . . . . 219 Ser CB . 27380 1 430 . 1 1 220 220 SER N N 15 116.003 0.006 . 1 . . . . . 219 Ser N . 27380 1 431 . 1 1 221 221 GLY H H 1 8.516 0.001 . 1 . . . . . 220 Gly H . 27380 1 432 . 1 1 221 221 GLY CA C 13 45.473 0.005 . 1 . . . . . 220 Gly CA . 27380 1 433 . 1 1 221 221 GLY N N 15 110.728 0.006 . 1 . . . . . 220 Gly N . 27380 1 434 . 1 1 222 222 MET H H 1 8.144 0.001 . 1 . . . . . 221 Met H . 27380 1 435 . 1 1 222 222 MET CA C 13 55.693 0.001 . 1 . . . . . 221 Met CA . 27380 1 436 . 1 1 222 222 MET CB C 13 33.021 0.003 . 1 . . . . . 221 Met CB . 27380 1 437 . 1 1 222 222 MET N N 15 119.674 0.056 . 1 . . . . . 221 Met N . 27380 1 438 . 1 1 223 223 LEU H H 1 8.331 0.001 . 1 . . . . . 222 Leu H . 27380 1 439 . 1 1 223 223 LEU CA C 13 55.068 0.004 . 1 . . . . . 222 Leu CA . 27380 1 440 . 1 1 223 223 LEU CB C 13 42.553 0.000 . 1 . . . . . 222 Leu CB . 27380 1 441 . 1 1 223 223 LEU N N 15 123.298 0.001 . 1 . . . . . 222 Leu N . 27380 1 442 . 1 1 224 224 ASP H H 1 8.402 0.000 . 1 . . . . . 223 Asp H . 27380 1 443 . 1 1 224 224 ASP CA C 13 54.356 0.000 . 1 . . . . . 223 Asp CA . 27380 1 444 . 1 1 224 224 ASP CB C 13 41.211 0.002 . 1 . . . . . 223 Asp CB . 27380 1 445 . 1 1 224 224 ASP N N 15 121.768 0.011 . 1 . . . . . 223 Asp N . 27380 1 446 . 1 1 225 225 GLU H H 1 8.438 0.000 . 1 . . . . . 224 Glu H . 27380 1 447 . 1 1 225 225 GLU CA C 13 57.158 0.001 . 1 . . . . . 224 Glu CA . 27380 1 448 . 1 1 225 225 GLU CB C 13 30.346 0.016 . 1 . . . . . 224 Glu CB . 27380 1 449 . 1 1 225 225 GLU N N 15 121.228 0.002 . 1 . . . . . 224 Glu N . 27380 1 450 . 1 1 226 226 ASP H H 1 8.409 0.000 . 1 . . . . . 225 Asp H . 27380 1 451 . 1 1 226 226 ASP CA C 13 54.857 0.002 . 1 . . . . . 225 Asp CA . 27380 1 452 . 1 1 226 226 ASP CB C 13 41.229 0.001 . 1 . . . . . 225 Asp CB . 27380 1 453 . 1 1 226 226 ASP N N 15 121.104 0.001 . 1 . . . . . 225 Asp N . 27380 1 454 . 1 1 227 227 GLU H H 1 8.337 0.001 . 1 . . . . . 226 Glu H . 27380 1 455 . 1 1 227 227 GLU CA C 13 57.990 0.000 . 1 . . . . . 226 Glu CA . 27380 1 456 . 1 1 227 227 GLU CB C 13 29.933 0.005 . 1 . . . . . 226 Glu CB . 27380 1 457 . 1 1 227 227 GLU N N 15 122.145 0.007 . 1 . . . . . 226 Glu N . 27380 1 458 . 1 1 228 228 GLU H H 1 8.438 0.001 . 1 . . . . . 227 Glu H . 27380 1 459 . 1 1 228 228 GLU CA C 13 58.299 0.000 . 1 . . . . . 227 Glu CA . 27380 1 460 . 1 1 228 228 GLU CB C 13 30.137 0.000 . 1 . . . . . 227 Glu CB . 27380 1 461 . 1 1 228 228 GLU N N 15 121.029 0.000 . 1 . . . . . 227 Glu N . 27380 1 462 . 1 1 229 229 ASP CA C 13 55.986 0.000 . 1 . . . . . 228 Asp CA . 27380 1 463 . 1 1 229 229 ASP CB C 13 40.788 0.000 . 1 . . . . . 228 Asp CB . 27380 1 464 . 1 1 230 230 LEU H H 1 8.111 0.001 . 1 . . . . . 229 Leu H . 27380 1 465 . 1 1 230 230 LEU CA C 13 57.353 0.000 . 1 . . . . . 229 Leu CA . 27380 1 466 . 1 1 230 230 LEU CB C 13 41.706 0.001 . 1 . . . . . 229 Leu CB . 27380 1 467 . 1 1 230 230 LEU N N 15 122.709 0.002 . 1 . . . . . 229 Leu N . 27380 1 468 . 1 1 231 231 GLN H H 1 8.221 0.001 . 1 . . . . . 230 Gln H . 27380 1 469 . 1 1 231 231 GLN CA C 13 58.147 0.000 . 1 . . . . . 230 Gln CA . 27380 1 470 . 1 1 231 231 GLN CB C 13 28.179 0.000 . 1 . . . . . 230 Gln CB . 27380 1 471 . 1 1 231 231 GLN N N 15 117.865 0.008 . 1 . . . . . 230 Gln N . 27380 1 472 . 1 1 232 232 ARG H H 1 8.034 0.000 . 1 . . . . . 231 Arg H . 27380 1 473 . 1 1 232 232 ARG CA C 13 58.402 0.027 . 1 . . . . . 231 Arg CA . 27380 1 474 . 1 1 232 232 ARG CB C 13 30.231 0.000 . 1 . . . . . 231 Arg CB . 27380 1 475 . 1 1 232 232 ARG N N 15 120.736 0.002 . 1 . . . . . 231 Arg N . 27380 1 476 . 1 1 233 233 ALA H H 1 7.973 0.003 . 1 . . . . . 232 Ala H . 27380 1 477 . 1 1 233 233 ALA CA C 13 54.308 0.048 . 1 . . . . . 232 Ala CA . 27380 1 478 . 1 1 233 233 ALA CB C 13 18.384 0.000 . 1 . . . . . 232 Ala CB . 27380 1 479 . 1 1 233 233 ALA N N 15 122.225 0.050 . 1 . . . . . 232 Ala N . 27380 1 480 . 1 1 234 234 LEU H H 1 8.104 0.002 . 1 . . . . . 233 Leu H . 27380 1 481 . 1 1 234 234 LEU CA C 13 56.610 0.030 . 1 . . . . . 233 Leu CA . 27380 1 482 . 1 1 234 234 LEU CB C 13 41.954 0.001 . 1 . . . . . 233 Leu CB . 27380 1 483 . 1 1 234 234 LEU N N 15 119.597 0.060 . 1 . . . . . 233 Leu N . 27380 1 484 . 1 1 235 235 ALA H H 1 7.906 0.000 . 1 . . . . . 234 Ala H . 27380 1 485 . 1 1 235 235 ALA CA C 13 53.894 0.004 . 1 . . . . . 234 Ala CA . 27380 1 486 . 1 1 235 235 ALA CB C 13 18.471 0.000 . 1 . . . . . 234 Ala CB . 27380 1 487 . 1 1 235 235 ALA N N 15 122.498 0.004 . 1 . . . . . 234 Ala N . 27380 1 488 . 1 1 236 236 LEU H H 1 7.909 0.001 . 1 . . . . . 235 Leu H . 27380 1 489 . 1 1 236 236 LEU CA C 13 56.210 0.050 . 1 . . . . . 235 Leu CA . 27380 1 490 . 1 1 236 236 LEU CB C 13 42.116 0.000 . 1 . . . . . 235 Leu CB . 27380 1 491 . 1 1 236 236 LEU N N 15 119.181 0.020 . 1 . . . . . 235 Leu N . 27380 1 492 . 1 1 237 237 SER H H 1 8.026 0.001 . 1 . . . . . 236 Ser H . 27380 1 493 . 1 1 237 237 SER CA C 13 59.413 0.035 . 1 . . . . . 236 Ser CA . 27380 1 494 . 1 1 237 237 SER CB C 13 63.665 0.000 . 1 . . . . . 236 Ser CB . 27380 1 495 . 1 1 237 237 SER N N 15 115.270 0.015 . 1 . . . . . 236 Ser N . 27380 1 496 . 1 1 238 238 ARG H H 1 8.026 0.000 . 1 . . . . . 237 Arg H . 27380 1 497 . 1 1 238 238 ARG CA C 13 55.450 0.000 . 1 . . . . . 237 Arg CA . 27380 1 498 . 1 1 238 238 ARG CB C 13 30.661 0.006 . 1 . . . . . 237 Arg CB . 27380 1 499 . 1 1 238 238 ARG N N 15 121.908 0.000 . 1 . . . . . 237 Arg N . 27380 1 500 . 1 1 239 239 GLN H H 1 8.198 0.000 . 1 . . . . . 238 Gln H . 27380 1 501 . 1 1 239 239 GLN CA C 13 53.993 0.000 . 1 . . . . . 238 Gln CA . 27380 1 502 . 1 1 239 239 GLN CB C 13 29.360 0.006 . 1 . . . . . 238 Gln CB . 27380 1 503 . 1 1 239 239 GLN N N 15 120.357 0.000 . 1 . . . . . 238 Gln N . 27380 1 504 . 1 1 240 240 GLU H H 1 8.334 0.000 . 1 . . . . . 239 Glu H . 27380 1 505 . 1 1 240 240 GLU CA C 13 56.898 0.002 . 1 . . . . . 239 Glu CA . 27380 1 506 . 1 1 240 240 GLU CB C 13 30.084 0.001 . 1 . . . . . 239 Glu CB . 27380 1 507 . 1 1 240 240 GLU N N 15 121.309 0.001 . 1 . . . . . 239 Glu N . 27380 1 508 . 1 1 241 241 ILE H H 1 8.011 0.000 . 1 . . . . . 240 Ile H . 27380 1 509 . 1 1 241 241 ILE CA C 13 61.219 0.001 . 1 . . . . . 240 Ile CA . 27380 1 510 . 1 1 241 241 ILE CB C 13 39.037 0.000 . 1 . . . . . 240 Ile CB . 27380 1 511 . 1 1 241 241 ILE N N 15 120.441 0.003 . 1 . . . . . 240 Ile N . 27380 1 512 . 1 1 242 242 ASP H H 1 8.367 0.000 . 1 . . . . . 241 Asp H . 27380 1 513 . 1 1 242 242 ASP CA C 13 54.417 0.000 . 1 . . . . . 241 Asp CA . 27380 1 514 . 1 1 242 242 ASP CB C 13 41.085 0.001 . 1 . . . . . 241 Asp CB . 27380 1 515 . 1 1 242 242 ASP N N 15 123.767 0.003 . 1 . . . . . 241 Asp N . 27380 1 516 . 1 1 243 243 MET H H 1 8.257 0.000 . 1 . . . . . 242 Met H . 27380 1 517 . 1 1 243 243 MET CA C 13 55.882 0.000 . 1 . . . . . 242 Met CA . 27380 1 518 . 1 1 243 243 MET CB C 13 33.025 0.001 . 1 . . . . . 242 Met CB . 27380 1 519 . 1 1 243 243 MET N N 15 120.959 0.001 . 1 . . . . . 242 Met N . 27380 1 520 . 1 1 244 244 GLU H H 1 8.468 0.001 . 1 . . . . . 243 Glu H . 27380 1 521 . 1 1 244 244 GLU CA C 13 57.014 0.002 . 1 . . . . . 243 Glu CA . 27380 1 522 . 1 1 244 244 GLU CB C 13 29.949 0.000 . 1 . . . . . 243 Glu CB . 27380 1 523 . 1 1 244 244 GLU N N 15 121.552 0.006 . 1 . . . . . 243 Glu N . 27380 1 524 . 1 1 245 245 ASP H H 1 8.272 0.000 . 1 . . . . . 244 Asp H . 27380 1 525 . 1 1 245 245 ASP CA C 13 54.499 0.003 . 1 . . . . . 244 Asp CA . 27380 1 526 . 1 1 245 245 ASP CB C 13 41.232 0.000 . 1 . . . . . 244 Asp CB . 27380 1 527 . 1 1 245 245 ASP N N 15 121.283 0.000 . 1 . . . . . 244 Asp N . 27380 1 528 . 1 1 246 246 GLU H H 1 8.553 0.001 . 1 . . . . . 245 Glu H . 27380 1 529 . 1 1 246 246 GLU CA C 13 58.314 0.001 . 1 . . . . . 245 Glu CA . 27380 1 530 . 1 1 246 246 GLU CB C 13 29.936 0.000 . 1 . . . . . 245 Glu CB . 27380 1 531 . 1 1 246 246 GLU N N 15 121.978 0.004 . 1 . . . . . 245 Glu N . 27380 1 532 . 1 1 247 247 GLU H H 1 8.317 0.002 . 1 . . . . . 246 Glu H . 27380 1 533 . 1 1 247 247 GLU CA C 13 57.882 0.040 . 1 . . . . . 246 Glu CA . 27380 1 534 . 1 1 247 247 GLU CB C 13 29.607 0.004 . 1 . . . . . 246 Glu CB . 27380 1 535 . 1 1 247 247 GLU N N 15 119.986 0.013 . 1 . . . . . 246 Glu N . 27380 1 536 . 1 1 248 248 ALA H H 1 8.040 0.002 . 1 . . . . . 247 Ala H . 27380 1 537 . 1 1 248 248 ALA CA C 13 54.623 0.052 . 1 . . . . . 247 Ala CA . 27380 1 538 . 1 1 248 248 ALA CB C 13 18.660 0.013 . 1 . . . . . 247 Ala CB . 27380 1 539 . 1 1 248 248 ALA N N 15 123.251 0.024 . 1 . . . . . 247 Ala N . 27380 1 540 . 1 1 249 249 ASP H H 1 8.275 0.001 . 1 . . . . . 248 Asp H . 27380 1 541 . 1 1 249 249 ASP CA C 13 56.460 0.017 . 1 . . . . . 248 Asp CA . 27380 1 542 . 1 1 249 249 ASP CB C 13 40.638 0.003 . 1 . . . . . 248 Asp CB . 27380 1 543 . 1 1 249 249 ASP N N 15 118.623 0.007 . 1 . . . . . 248 Asp N . 27380 1 544 . 1 1 250 250 LEU H H 1 8.002 0.001 . 1 . . . . . 249 Leu H . 27380 1 545 . 1 1 250 250 LEU CA C 13 57.251 0.056 . 1 . . . . . 249 Leu CA . 27380 1 546 . 1 1 250 250 LEU CB C 13 41.666 0.001 . 1 . . . . . 249 Leu CB . 27380 1 547 . 1 1 250 250 LEU N N 15 122.561 0.005 . 1 . . . . . 249 Leu N . 27380 1 548 . 1 1 251 251 ARG H H 1 8.112 0.000 . 1 . . . . . 250 Arg H . 27380 1 549 . 1 1 251 251 ARG CA C 13 58.819 0.001 . 1 . . . . . 250 Arg CA . 27380 1 550 . 1 1 251 251 ARG CB C 13 30.005 0.001 . 1 . . . . . 250 Arg CB . 27380 1 551 . 1 1 251 251 ARG N N 15 118.344 0.000 . 1 . . . . . 250 Arg N . 27380 1 552 . 1 1 252 252 ARG H H 1 7.963 0.000 . 1 . . . . . 251 Arg H . 27380 1 553 . 1 1 252 252 ARG CA C 13 58.390 0.003 . 1 . . . . . 251 Arg CA . 27380 1 554 . 1 1 252 252 ARG CB C 13 30.313 0.003 . 1 . . . . . 251 Arg CB . 27380 1 555 . 1 1 252 252 ARG N N 15 119.555 0.000 . 1 . . . . . 251 Arg N . 27380 1 556 . 1 1 253 253 ALA H H 1 7.977 0.000 . 1 . . . . . 252 Ala H . 27380 1 557 . 1 1 253 253 ALA CA C 13 54.330 0.060 . 1 . . . . . 252 Ala CA . 27380 1 558 . 1 1 253 253 ALA CB C 13 18.389 0.004 . 1 . . . . . 252 Ala CB . 27380 1 559 . 1 1 253 253 ALA N N 15 122.369 0.001 . 1 . . . . . 252 Ala N . 27380 1 560 . 1 1 254 254 ILE H H 1 8.106 0.000 . 1 . . . . . 253 Ile H . 27380 1 561 . 1 1 254 254 ILE CA C 13 63.519 0.003 . 1 . . . . . 253 Ile CA . 27380 1 562 . 1 1 254 254 ILE CB C 13 38.213 0.000 . 1 . . . . . 253 Ile CB . 27380 1 563 . 1 1 254 254 ILE N N 15 119.209 0.007 . 1 . . . . . 253 Ile N . 27380 1 564 . 1 1 255 255 GLN H H 1 8.116 0.000 . 1 . . . . . 254 Gln H . 27380 1 565 . 1 1 255 255 GLN CA C 13 57.952 0.002 . 1 . . . . . 254 Gln CA . 27380 1 566 . 1 1 255 255 GLN CB C 13 28.619 0.000 . 1 . . . . . 254 Gln CB . 27380 1 567 . 1 1 255 255 GLN N N 15 121.487 0.029 . 1 . . . . . 254 Gln N . 27380 1 568 . 1 1 256 256 LEU H H 1 8.221 0.000 . 1 . . . . . 255 Leu H . 27380 1 569 . 1 1 256 256 LEU CA C 13 56.565 0.000 . 1 . . . . . 255 Leu CA . 27380 1 570 . 1 1 256 256 LEU CB C 13 41.929 0.001 . 1 . . . . . 255 Leu CB . 27380 1 571 . 1 1 256 256 LEU N N 15 120.649 0.001 . 1 . . . . . 255 Leu N . 27380 1 572 . 1 1 257 257 SER H H 1 8.025 0.001 . 1 . . . . . 256 Ser H . 27380 1 573 . 1 1 257 257 SER CA C 13 59.703 0.002 . 1 . . . . . 256 Ser CA . 27380 1 574 . 1 1 257 257 SER CB C 13 63.493 0.004 . 1 . . . . . 256 Ser CB . 27380 1 575 . 1 1 257 257 SER N N 15 115.101 0.001 . 1 . . . . . 256 Ser N . 27380 1 576 . 1 1 258 258 MET H H 1 8.045 0.001 . 1 . . . . . 257 Met H . 27380 1 577 . 1 1 258 258 MET CA C 13 56.175 0.000 . 1 . . . . . 257 Met CA . 27380 1 578 . 1 1 258 258 MET CB C 13 32.645 0.001 . 1 . . . . . 257 Met CB . 27380 1 579 . 1 1 258 258 MET N N 15 120.698 0.028 . 1 . . . . . 257 Met N . 27380 1 580 . 1 1 259 259 GLN H H 1 8.105 0.001 . 1 . . . . . 258 Gln H . 27380 1 581 . 1 1 259 259 GLN CA C 13 56.597 0.001 . 1 . . . . . 258 Gln CA . 27380 1 582 . 1 1 259 259 GLN CB C 13 29.195 0.001 . 1 . . . . . 258 Gln CB . 27380 1 583 . 1 1 259 259 GLN N N 15 119.785 0.007 . 1 . . . . . 258 Gln N . 27380 1 584 . 1 1 260 260 GLY H H 1 8.343 0.000 . 1 . . . . . 259 Gly H . 27380 1 585 . 1 1 260 260 GLY CA C 13 45.595 0.001 . 1 . . . . . 259 Gly CA . 27380 1 586 . 1 1 260 260 GLY N N 15 109.344 0.002 . 1 . . . . . 259 Gly N . 27380 1 587 . 1 1 261 261 SER H H 1 8.192 0.000 . 1 . . . . . 260 Ser H . 27380 1 588 . 1 1 261 261 SER CA C 13 58.459 0.000 . 1 . . . . . 260 Ser CA . 27380 1 589 . 1 1 261 261 SER CB C 13 63.942 0.000 . 1 . . . . . 260 Ser CB . 27380 1 590 . 1 1 261 261 SER N N 15 115.445 0.001 . 1 . . . . . 260 Ser N . 27380 1 591 . 1 1 262 262 SER CA C 13 58.540 0.000 . 1 . . . . . 261 Ser CA . 27380 1 592 . 1 1 262 262 SER CB C 13 63.688 0.000 . 1 . . . . . 261 Ser CB . 27380 1 593 . 1 1 263 263 ARG H H 1 8.257 0.001 . 1 . . . . . 262 Arg H . 27380 1 594 . 1 1 263 263 ARG CA C 13 56.246 0.004 . 1 . . . . . 262 Arg CA . 27380 1 595 . 1 1 263 263 ARG CB C 13 30.754 0.007 . 1 . . . . . 262 Arg CB . 27380 1 596 . 1 1 263 263 ARG N N 15 122.140 0.000 . 1 . . . . . 262 Arg N . 27380 1 597 . 1 1 264 264 ASN H H 1 8.394 0.000 . 1 . . . . . 263 Asn H . 27380 1 598 . 1 1 264 264 ASN CA C 13 53.228 0.035 . 1 . . . . . 263 Asn CA . 27380 1 599 . 1 1 264 264 ASN CB C 13 38.731 0.000 . 1 . . . . . 263 Asn CB . 27380 1 600 . 1 1 264 264 ASN N N 15 119.677 0.005 . 1 . . . . . 263 Asn N . 27380 1 601 . 1 1 265 265 ILE H H 1 8.089 0.001 . 1 . . . . . 264 Ile H . 27380 1 602 . 1 1 265 265 ILE CA C 13 61.358 0.058 . 1 . . . . . 264 Ile CA . 27380 1 603 . 1 1 265 265 ILE CB C 13 38.733 0.000 . 1 . . . . . 264 Ile CB . 27380 1 604 . 1 1 265 265 ILE N N 15 120.889 0.016 . 1 . . . . . 264 Ile N . 27380 1 605 . 1 1 266 266 SER H H 1 8.319 0.001 . 1 . . . . . 265 Ser H . 27380 1 606 . 1 1 266 266 SER CA C 13 58.475 0.057 . 1 . . . . . 265 Ser CA . 27380 1 607 . 1 1 266 266 SER CB C 13 63.799 0.001 . 1 . . . . . 265 Ser CB . 27380 1 608 . 1 1 266 266 SER N N 15 119.160 0.000 . 1 . . . . . 265 Ser N . 27380 1 609 . 1 1 267 267 GLN H H 1 8.378 0.000 . 1 . . . . . 266 Gln H . 27380 1 610 . 1 1 267 267 GLN CA C 13 56.181 0.000 . 1 . . . . . 266 Gln CA . 27380 1 611 . 1 1 267 267 GLN CB C 13 29.429 0.002 . 1 . . . . . 266 Gln CB . 27380 1 612 . 1 1 267 267 GLN N N 15 122.133 0.000 . 1 . . . . . 266 Gln N . 27380 1 613 . 1 1 268 268 ASP H H 1 8.302 0.000 . 1 . . . . . 267 Asp H . 27380 1 614 . 1 1 268 268 ASP CA C 13 54.438 0.001 . 1 . . . . . 267 Asp CA . 27380 1 615 . 1 1 268 268 ASP CB C 13 40.992 0.001 . 1 . . . . . 267 Asp CB . 27380 1 616 . 1 1 268 268 ASP N N 15 120.828 0.000 . 1 . . . . . 267 Asp N . 27380 1 617 . 1 1 269 269 MET H H 1 8.392 0.000 . 1 . . . . . 268 Met H . 27380 1 618 . 1 1 269 269 MET CA C 13 55.741 0.002 . 1 . . . . . 268 Met CA . 27380 1 619 . 1 1 269 269 MET CB C 13 32.348 0.000 . 1 . . . . . 268 Met CB . 27380 1 620 . 1 1 269 269 MET N N 15 121.309 0.001 . 1 . . . . . 268 Met N . 27380 1 621 . 1 1 270 270 THR H H 1 8.245 0.000 . 1 . . . . . 269 Thr H . 27380 1 622 . 1 1 270 270 THR CA C 13 62.783 0.000 . 1 . . . . . 269 Thr CA . 27380 1 623 . 1 1 270 270 THR CB C 13 69.599 0.000 . 1 . . . . . 269 Thr CB . 27380 1 624 . 1 1 270 270 THR N N 15 114.264 0.000 . 1 . . . . . 269 Thr N . 27380 1 625 . 1 1 271 271 GLN H H 1 8.268 0.000 . 1 . . . . . 270 Gln H . 27380 1 626 . 1 1 271 271 GLN CA C 13 55.886 0.000 . 1 . . . . . 270 Gln CA . 27380 1 627 . 1 1 271 271 GLN CB C 13 29.345 0.000 . 1 . . . . . 270 Gln CB . 27380 1 628 . 1 1 271 271 GLN N N 15 121.950 0.000 . 1 . . . . . 270 Gln N . 27380 1 629 . 1 1 272 272 THR H H 1 8.175 0.000 . 1 . . . . . 271 Thr H . 27380 1 630 . 1 1 272 272 THR CA C 13 61.908 0.003 . 1 . . . . . 271 Thr CA . 27380 1 631 . 1 1 272 272 THR CB C 13 69.678 0.000 . 1 . . . . . 271 Thr CB . 27380 1 632 . 1 1 272 272 THR N N 15 114.557 0.000 . 1 . . . . . 271 Thr N . 27380 1 633 . 1 1 273 273 SER H H 1 8.342 0.000 . 1 . . . . . 272 Ser H . 27380 1 634 . 1 1 273 273 SER CA C 13 58.567 0.056 . 1 . . . . . 272 Ser CA . 27380 1 635 . 1 1 273 273 SER CB C 13 63.814 0.010 . 1 . . . . . 272 Ser CB . 27380 1 636 . 1 1 273 273 SER N N 15 117.909 0.001 . 1 . . . . . 272 Ser N . 27380 1 637 . 1 1 274 274 GLY H H 1 8.469 0.001 . 1 . . . . . 273 Gly H . 27380 1 638 . 1 1 274 274 GLY CA C 13 45.515 0.014 . 1 . . . . . 273 Gly CA . 27380 1 639 . 1 1 274 274 GLY N N 15 110.731 0.014 . 1 . . . . . 273 Gly N . 27380 1 640 . 1 1 275 275 THR H H 1 8.046 0.002 . 1 . . . . . 274 Thr H . 27380 1 641 . 1 1 275 275 THR CA C 13 61.947 0.014 . 1 . . . . . 274 Thr CA . 27380 1 642 . 1 1 275 275 THR CB C 13 69.740 0.000 . 1 . . . . . 274 Thr CB . 27380 1 643 . 1 1 275 275 THR N N 15 113.388 0.007 . 1 . . . . . 274 Thr N . 27380 1 644 . 1 1 276 276 ASN H H 1 8.505 0.001 . 1 . . . . . 275 Asn H . 27380 1 645 . 1 1 276 276 ASN CA C 13 53.272 0.035 . 1 . . . . . 275 Asn CA . 27380 1 646 . 1 1 276 276 ASN CB C 13 38.727 0.003 . 1 . . . . . 275 Asn CB . 27380 1 647 . 1 1 276 276 ASN N N 15 121.138 0.020 . 1 . . . . . 275 Asn N . 27380 1 648 . 1 1 277 277 LEU H H 1 8.169 0.005 . 1 . . . . . 276 Leu H . 27380 1 649 . 1 1 277 277 LEU CA C 13 55.198 0.033 . 1 . . . . . 276 Leu CA . 27380 1 650 . 1 1 277 277 LEU CB C 13 42.798 0.004 . 1 . . . . . 276 Leu CB . 27380 1 651 . 1 1 277 277 LEU N N 15 122.537 0.006 . 1 . . . . . 276 Leu N . 27380 1 652 . 1 1 278 278 THR H H 1 8.384 0.008 . 1 . . . . . 277 Thr H . 27380 1 653 . 1 1 278 278 THR CA C 13 61.652 0.020 . 1 . . . . . 277 Thr CA . 27380 1 654 . 1 1 278 278 THR CB C 13 70.612 0.002 . 1 . . . . . 277 Thr CB . 27380 1 655 . 1 1 278 278 THR N N 15 113.563 0.008 . 1 . . . . . 277 Thr N . 27380 1 656 . 1 1 279 279 SER H H 1 8.744 0.001 . 1 . . . . . 278 Ser H . 27380 1 657 . 1 1 279 279 SER CA C 13 61.167 0.004 . 1 . . . . . 278 Ser CA . 27380 1 658 . 1 1 279 279 SER CB C 13 62.647 0.001 . 1 . . . . . 278 Ser CB . 27380 1 659 . 1 1 279 279 SER N N 15 116.832 0.010 . 1 . . . . . 278 Ser N . 27380 1 660 . 1 1 280 280 GLU H H 1 8.506 0.001 . 1 . . . . . 279 Glu H . 27380 1 661 . 1 1 280 280 GLU CA C 13 59.137 0.001 . 1 . . . . . 279 Glu CA . 27380 1 662 . 1 1 280 280 GLU CB C 13 29.496 0.008 . 1 . . . . . 279 Glu CB . 27380 1 663 . 1 1 280 280 GLU N N 15 122.475 0.002 . 1 . . . . . 279 Glu N . 27380 1 664 . 1 1 281 281 GLU H H 1 8.362 0.001 . 1 . . . . . 280 Glu H . 27380 1 665 . 1 1 281 281 GLU CA C 13 59.069 0.003 . 1 . . . . . 280 Glu CA . 27380 1 666 . 1 1 281 281 GLU CB C 13 29.687 0.002 . 1 . . . . . 280 Glu CB . 27380 1 667 . 1 1 281 281 GLU N N 15 119.432 0.000 . 1 . . . . . 280 Glu N . 27380 1 668 . 1 1 282 282 LEU H H 1 8.268 0.000 . 1 . . . . . 281 Leu H . 27380 1 669 . 1 1 282 282 LEU CA C 13 58.097 0.003 . 1 . . . . . 281 Leu CA . 27380 1 670 . 1 1 282 282 LEU CB C 13 41.673 0.001 . 1 . . . . . 281 Leu CB . 27380 1 671 . 1 1 282 282 LEU N N 15 120.481 0.000 . 1 . . . . . 281 Leu N . 27380 1 672 . 1 1 283 283 ARG H H 1 8.049 0.000 . 1 . . . . . 282 Arg H . 27380 1 673 . 1 1 283 283 ARG CA C 13 59.603 0.000 . 1 . . . . . 282 Arg CA . 27380 1 674 . 1 1 283 283 ARG CB C 13 29.777 0.000 . 1 . . . . . 282 Arg CB . 27380 1 675 . 1 1 283 283 ARG N N 15 120.215 0.016 . 1 . . . . . 282 Arg N . 27380 1 676 . 1 1 284 284 LYS H H 1 7.910 0.001 . 1 . . . . . 283 Lys H . 27380 1 677 . 1 1 284 284 LYS CA C 13 58.338 0.000 . 1 . . . . . 283 Lys CA . 27380 1 678 . 1 1 284 284 LYS CB C 13 32.127 0.000 . 1 . . . . . 283 Lys CB . 27380 1 679 . 1 1 284 284 LYS N N 15 119.945 0.001 . 1 . . . . . 283 Lys N . 27380 1 680 . 1 1 285 285 ARG H H 1 8.072 0.000 . 1 . . . . . 284 Arg H . 27380 1 681 . 1 1 285 285 ARG CA C 13 58.821 0.000 . 1 . . . . . 284 Arg CA . 27380 1 682 . 1 1 285 285 ARG CB C 13 30.380 0.000 . 1 . . . . . 284 Arg CB . 27380 1 683 . 1 1 285 285 ARG N N 15 119.779 0.002 . 1 . . . . . 284 Arg N . 27380 1 684 . 1 1 286 286 ARG H H 1 8.200 0.000 . 1 . . . . . 285 Arg H . 27380 1 685 . 1 1 286 286 ARG CA C 13 59.020 0.000 . 1 . . . . . 285 Arg CA . 27380 1 686 . 1 1 286 286 ARG CB C 13 29.619 0.000 . 1 . . . . . 285 Arg CB . 27380 1 687 . 1 1 286 286 ARG N N 15 120.892 0.003 . 1 . . . . . 285 Arg N . 27380 1 688 . 1 1 287 287 GLU H H 1 7.948 0.000 . 1 . . . . . 286 Glu H . 27380 1 689 . 1 1 287 287 GLU CA C 13 59.137 0.001 . 1 . . . . . 286 Glu CA . 27380 1 690 . 1 1 287 287 GLU CB C 13 29.655 0.000 . 1 . . . . . 286 Glu CB . 27380 1 691 . 1 1 287 287 GLU N N 15 120.476 0.000 . 1 . . . . . 286 Glu N . 27380 1 692 . 1 1 288 288 ALA H H 1 8.031 0.000 . 1 . . . . . 287 Ala H . 27380 1 693 . 1 1 288 288 ALA CA C 13 53.091 0.000 . 1 . . . . . 287 Ala CA . 27380 1 694 . 1 1 288 288 ALA CB C 13 18.594 0.001 . 1 . . . . . 287 Ala CB . 27380 1 695 . 1 1 288 288 ALA N N 15 121.841 0.001 . 1 . . . . . 287 Ala N . 27380 1 696 . 1 1 289 289 TYR H H 1 7.943 0.000 . 1 . . . . . 288 Tyr H . 27380 1 697 . 1 1 289 289 TYR CA C 13 60.766 0.000 . 1 . . . . . 288 Tyr CA . 27380 1 698 . 1 1 289 289 TYR CB C 13 38.125 0.000 . 1 . . . . . 288 Tyr CB . 27380 1 699 . 1 1 289 289 TYR N N 15 119.514 0.010 . 1 . . . . . 288 Tyr N . 27380 1 700 . 1 1 290 290 PHE H H 1 8.174 0.000 . 1 . . . . . 289 Phe H . 27380 1 701 . 1 1 290 290 PHE CA C 13 60.530 0.000 . 1 . . . . . 289 Phe CA . 27380 1 702 . 1 1 290 290 PHE CB C 13 38.583 0.000 . 1 . . . . . 289 Phe CB . 27380 1 703 . 1 1 290 290 PHE N N 15 119.592 0.009 . 1 . . . . . 289 Phe N . 27380 1 704 . 1 1 299 299 GLN H H 1 8.247 0.000 . 1 . . . . . 298 Gln H . 27380 1 705 . 1 1 299 299 GLN CA C 13 56.947 0.000 . 1 . . . . . 298 Gln CA . 27380 1 706 . 1 1 299 299 GLN CB C 13 29.048 0.000 . 1 . . . . . 298 Gln CB . 27380 1 707 . 1 1 299 299 GLN N N 15 120.315 0.000 . 1 . . . . . 298 Gln N . 27380 1 708 . 1 1 300 300 GLN H H 1 8.270 0.000 . 1 . . . . . 299 Gln H . 27380 1 709 . 1 1 300 300 GLN CA C 13 56.859 0.000 . 1 . . . . . 299 Gln CA . 27380 1 710 . 1 1 300 300 GLN CB C 13 29.188 0.000 . 1 . . . . . 299 Gln CB . 27380 1 711 . 1 1 300 300 GLN N N 15 120.453 0.000 . 1 . . . . . 299 Gln N . 27380 1 712 . 1 1 301 301 GLN H H 1 8.300 0.000 . 1 . . . . . 300 Gln H . 27380 1 713 . 1 1 301 301 GLN CA C 13 56.681 0.000 . 1 . . . . . 300 Gln CA . 27380 1 714 . 1 1 301 301 GLN CB C 13 29.202 0.000 . 1 . . . . . 300 Gln CB . 27380 1 715 . 1 1 301 301 GLN N N 15 120.570 0.000 . 1 . . . . . 300 Gln N . 27380 1 716 . 1 1 302 302 GLN H H 1 8.310 0.000 . 1 . . . . . 301 Gln H . 27380 1 717 . 1 1 302 302 GLN CA C 13 56.543 0.000 . 1 . . . . . 301 Gln CA . 27380 1 718 . 1 1 302 302 GLN CB C 13 29.210 0.000 . 1 . . . . . 301 Gln CB . 27380 1 719 . 1 1 302 302 GLN N N 15 120.404 0.001 . 1 . . . . . 301 Gln N . 27380 1 720 . 1 1 303 303 GLN H H 1 8.331 0.000 . 1 . . . . . 302 Gln H . 27380 1 721 . 1 1 303 303 GLN CA C 13 56.350 0.000 . 1 . . . . . 302 Gln CA . 27380 1 722 . 1 1 303 303 GLN CB C 13 29.252 0.000 . 1 . . . . . 302 Gln CB . 27380 1 723 . 1 1 303 303 GLN N N 15 120.828 0.000 . 1 . . . . . 302 Gln N . 27380 1 724 . 1 1 304 304 GLN H H 1 8.354 0.000 . 1 . . . . . 303 Gln H . 27380 1 725 . 1 1 304 304 GLN CA C 13 56.289 0.000 . 1 . . . . . 303 Gln CA . 27380 1 726 . 1 1 304 304 GLN CB C 13 29.350 0.000 . 1 . . . . . 303 Gln CB . 27380 1 727 . 1 1 304 304 GLN N N 15 121.064 0.007 . 1 . . . . . 303 Gln N . 27380 1 728 . 1 1 305 305 GLN H H 1 8.421 0.000 . 1 . . . . . 304 Gln H . 27380 1 729 . 1 1 305 305 GLN CA C 13 56.001 0.000 . 1 . . . . . 304 Gln CA . 27380 1 730 . 1 1 305 305 GLN CB C 13 29.395 0.000 . 1 . . . . . 304 Gln CB . 27380 1 731 . 1 1 305 305 GLN N N 15 121.346 0.000 . 1 . . . . . 304 Gln N . 27380 1 732 . 1 1 306 306 GLN H H 1 8.439 0.000 . 1 . . . . . 305 Gln H . 27380 1 733 . 1 1 306 306 GLN CA C 13 56.123 0.001 . 1 . . . . . 305 Gln CA . 27380 1 734 . 1 1 306 306 GLN CB C 13 29.494 0.001 . 1 . . . . . 305 Gln CB . 27380 1 735 . 1 1 306 306 GLN N N 15 121.399 0.000 . 1 . . . . . 305 Gln N . 27380 1 736 . 1 1 307 307 GLY H H 1 8.392 0.000 . 1 . . . . . 306 Gly H . 27380 1 737 . 1 1 307 307 GLY CA C 13 45.296 0.003 . 1 . . . . . 306 Gly CA . 27380 1 738 . 1 1 307 307 GLY N N 15 109.881 0.007 . 1 . . . . . 306 Gly N . 27380 1 739 . 1 1 308 308 ASP H H 1 8.245 0.000 . 1 . . . . . 307 Asp H . 27380 1 740 . 1 1 308 308 ASP CA C 13 54.273 0.004 . 1 . . . . . 307 Asp CA . 27380 1 741 . 1 1 308 308 ASP CB C 13 41.201 0.005 . 1 . . . . . 307 Asp CB . 27380 1 742 . 1 1 308 308 ASP N N 15 120.323 0.001 . 1 . . . . . 307 Asp N . 27380 1 743 . 1 1 309 309 LEU H H 1 8.363 0.000 . 1 . . . . . 308 Leu H . 27380 1 744 . 1 1 309 309 LEU CA C 13 55.437 0.001 . 1 . . . . . 308 Leu CA . 27380 1 745 . 1 1 309 309 LEU CB C 13 41.806 0.002 . 1 . . . . . 308 Leu CB . 27380 1 746 . 1 1 309 309 LEU N N 15 123.365 0.001 . 1 . . . . . 308 Leu N . 27380 1 747 . 1 1 310 310 SER H H 1 8.360 0.001 . 1 . . . . . 309 Ser H . 27380 1 748 . 1 1 310 310 SER CA C 13 59.380 0.023 . 1 . . . . . 309 Ser CA . 27380 1 749 . 1 1 310 310 SER CB C 13 63.724 0.000 . 1 . . . . . 309 Ser CB . 27380 1 750 . 1 1 310 310 SER N N 15 116.192 0.014 . 1 . . . . . 309 Ser N . 27380 1 751 . 1 1 311 311 GLY H H 1 8.391 0.001 . 1 . . . . . 310 Gly H . 27380 1 752 . 1 1 311 311 GLY CA C 13 45.458 0.019 . 1 . . . . . 310 Gly CA . 27380 1 753 . 1 1 311 311 GLY N N 15 110.644 0.002 . 1 . . . . . 310 Gly N . 27380 1 754 . 1 1 312 312 GLN H H 1 8.144 0.001 . 1 . . . . . 311 Gln H . 27380 1 755 . 1 1 312 312 GLN CA C 13 55.621 0.000 . 1 . . . . . 311 Gln CA . 27380 1 756 . 1 1 312 312 GLN CB C 13 29.430 0.000 . 1 . . . . . 311 Gln CB . 27380 1 757 . 1 1 312 312 GLN N N 15 119.644 0.050 . 1 . . . . . 311 Gln N . 27380 1 758 . 1 1 313 313 SER H H 1 8.363 0.001 . 1 . . . . . 312 Ser H . 27380 1 759 . 1 1 313 313 SER CA C 13 58.338 0.028 . 1 . . . . . 312 Ser CA . 27380 1 760 . 1 1 313 313 SER CB C 13 63.695 0.000 . 1 . . . . . 312 Ser CB . 27380 1 761 . 1 1 313 313 SER N N 15 116.567 0.006 . 1 . . . . . 312 Ser N . 27380 1 762 . 1 1 314 314 SER H H 1 8.261 0.001 . 1 . . . . . 313 Ser H . 27380 1 763 . 1 1 314 314 SER CA C 13 58.292 0.010 . 1 . . . . . 313 Ser CA . 27380 1 764 . 1 1 314 314 SER CB C 13 63.812 0.002 . 1 . . . . . 313 Ser CB . 27380 1 765 . 1 1 314 314 SER N N 15 117.409 0.005 . 1 . . . . . 313 Ser N . 27380 1 766 . 1 1 315 315 HIS H H 1 8.334 0.000 . 1 . . . . . 314 His H . 27380 1 767 . 1 1 315 315 HIS CA C 13 53.991 0.009 . 1 . . . . . 314 His CA . 27380 1 768 . 1 1 315 315 HIS N N 15 121.660 0.021 . 1 . . . . . 314 His N . 27380 1 769 . 1 1 316 316 PRO CA C 13 63.490 0.000 . 1 . . . . . 315 Pro CA . 27380 1 770 . 1 1 316 316 PRO CB C 13 32.101 0.000 . 1 . . . . . 315 Pro CB . 27380 1 771 . 1 1 317 317 CYS H H 1 8.636 0.001 . 1 . . . . . 316 Cys H . 27380 1 772 . 1 1 317 317 CYS CA C 13 58.416 0.011 . 1 . . . . . 316 Cys CA . 27380 1 773 . 1 1 317 317 CYS CB C 13 28.023 0.003 . 1 . . . . . 316 Cys CB . 27380 1 774 . 1 1 317 317 CYS N N 15 119.672 0.006 . 1 . . . . . 316 Cys N . 27380 1 775 . 1 1 318 318 GLU H H 1 8.508 0.001 . 1 . . . . . 317 Glu H . 27380 1 776 . 1 1 318 318 GLU CA C 13 56.585 0.002 . 1 . . . . . 317 Glu CA . 27380 1 777 . 1 1 318 318 GLU CB C 13 30.438 0.000 . 1 . . . . . 317 Glu CB . 27380 1 778 . 1 1 318 318 GLU N N 15 123.643 0.012 . 1 . . . . . 317 Glu N . 27380 1 779 . 1 1 319 319 ARG H H 1 8.363 0.000 . 1 . . . . . 318 Arg H . 27380 1 780 . 1 1 319 319 ARG CA C 13 55.433 0.000 . 1 . . . . . 318 Arg CA . 27380 1 781 . 1 1 319 319 ARG CB C 13 30.340 0.000 . 1 . . . . . 318 Arg CB . 27380 1 782 . 1 1 319 319 ARG N N 15 123.249 0.000 . 1 . . . . . 318 Arg N . 27380 1 783 . 1 1 320 320 PRO CA C 13 62.948 0.043 . 1 . . . . . 319 Pro CA . 27380 1 784 . 1 1 320 320 PRO CB C 13 32.131 0.000 . 1 . . . . . 319 Pro CB . 27380 1 785 . 1 1 321 321 ALA H H 1 8.528 0.001 . 1 . . . . . 320 Ala H . 27380 1 786 . 1 1 321 321 ALA CA C 13 52.657 0.007 . 1 . . . . . 320 Ala CA . 27380 1 787 . 1 1 321 321 ALA CB C 13 19.159 0.003 . 1 . . . . . 320 Ala CB . 27380 1 788 . 1 1 321 321 ALA N N 15 124.795 0.009 . 1 . . . . . 320 Ala N . 27380 1 789 . 1 1 322 322 THR H H 1 8.111 0.002 . 1 . . . . . 321 Thr H . 27380 1 790 . 1 1 322 322 THR CA C 13 61.608 0.045 . 1 . . . . . 321 Thr CA . 27380 1 791 . 1 1 322 322 THR CB C 13 69.867 0.002 . 1 . . . . . 321 Thr CB . 27380 1 792 . 1 1 322 322 THR N N 15 112.637 0.014 . 1 . . . . . 321 Thr N . 27380 1 793 . 1 1 323 323 SER H H 1 8.346 0.001 . 1 . . . . . 322 Ser H . 27380 1 794 . 1 1 323 323 SER CA C 13 58.475 0.072 . 1 . . . . . 322 Ser CA . 27380 1 795 . 1 1 323 323 SER CB C 13 63.805 0.000 . 1 . . . . . 322 Ser CB . 27380 1 796 . 1 1 323 323 SER N N 15 117.860 0.024 . 1 . . . . . 322 Ser N . 27380 1 797 . 1 1 324 324 SER H H 1 8.419 0.001 . 1 . . . . . 323 Ser H . 27380 1 798 . 1 1 324 324 SER CA C 13 58.589 0.075 . 1 . . . . . 323 Ser CA . 27380 1 799 . 1 1 324 324 SER CB C 13 63.783 0.003 . 1 . . . . . 323 Ser CB . 27380 1 800 . 1 1 324 324 SER N N 15 117.846 0.023 . 1 . . . . . 323 Ser N . 27380 1 801 . 1 1 325 325 GLY H H 1 8.387 0.002 . 1 . . . . . 324 Gly H . 27380 1 802 . 1 1 325 325 GLY CA C 13 45.359 0.071 . 1 . . . . . 324 Gly CA . 27380 1 803 . 1 1 325 325 GLY N N 15 110.869 0.061 . 1 . . . . . 324 Gly N . 27380 1 804 . 1 1 326 326 ALA H H 1 8.127 0.002 . 1 . . . . . 325 Ala H . 27380 1 805 . 1 1 326 326 ALA CA C 13 52.478 0.003 . 1 . . . . . 325 Ala CA . 27380 1 806 . 1 1 326 326 ALA CB C 13 19.282 0.001 . 1 . . . . . 325 Ala CB . 27380 1 807 . 1 1 326 326 ALA N N 15 123.741 0.011 . 1 . . . . . 325 Ala N . 27380 1 808 . 1 1 327 327 LEU H H 1 8.297 0.001 . 1 . . . . . 326 Leu H . 27380 1 809 . 1 1 327 327 LEU CA C 13 55.395 0.050 . 1 . . . . . 326 Leu CA . 27380 1 810 . 1 1 327 327 LEU CB C 13 42.335 0.002 . 1 . . . . . 326 Leu CB . 27380 1 811 . 1 1 327 327 LEU N N 15 121.462 0.013 . 1 . . . . . 326 Leu N . 27380 1 812 . 1 1 328 328 GLY H H 1 8.410 0.001 . 1 . . . . . 327 Gly H . 27380 1 813 . 1 1 328 328 GLY CA C 13 45.418 0.027 . 1 . . . . . 327 Gly CA . 27380 1 814 . 1 1 328 328 GLY N N 15 109.839 0.001 . 1 . . . . . 327 Gly N . 27380 1 815 . 1 1 329 329 SER H H 1 8.175 0.000 . 1 . . . . . 328 Ser H . 27380 1 816 . 1 1 329 329 SER CA C 13 58.384 0.037 . 1 . . . . . 328 Ser CA . 27380 1 817 . 1 1 329 329 SER CB C 13 63.958 0.000 . 1 . . . . . 328 Ser CB . 27380 1 818 . 1 1 329 329 SER N N 15 115.315 0.004 . 1 . . . . . 328 Ser N . 27380 1 819 . 1 1 330 330 ASP H H 1 8.477 0.001 . 1 . . . . . 329 Asp H . 27380 1 820 . 1 1 330 330 ASP CA C 13 54.400 0.047 . 1 . . . . . 329 Asp CA . 27380 1 821 . 1 1 330 330 ASP CB C 13 41.034 0.000 . 1 . . . . . 329 Asp CB . 27380 1 822 . 1 1 330 330 ASP N N 15 122.271 0.018 . 1 . . . . . 329 Asp N . 27380 1 823 . 1 1 331 331 LEU H H 1 8.197 0.001 . 1 . . . . . 330 Leu H . 27380 1 824 . 1 1 331 331 LEU CA C 13 55.424 0.032 . 1 . . . . . 330 Leu CA . 27380 1 825 . 1 1 331 331 LEU CB C 13 42.206 0.001 . 1 . . . . . 330 Leu CB . 27380 1 826 . 1 1 331 331 LEU N N 15 122.128 0.015 . 1 . . . . . 330 Leu N . 27380 1 827 . 1 1 332 332 GLY H H 1 8.322 0.001 . 1 . . . . . 331 Gly H . 27380 1 828 . 1 1 332 332 GLY CA C 13 45.509 0.046 . 1 . . . . . 331 Gly CA . 27380 1 829 . 1 1 332 332 GLY N N 15 108.965 0.007 . 1 . . . . . 331 Gly N . 27380 1 830 . 1 1 333 333 ASP H H 1 8.200 0.001 . 1 . . . . . 332 Asp H . 27380 1 831 . 1 1 333 333 ASP CA C 13 54.278 0.026 . 1 . . . . . 332 Asp CA . 27380 1 832 . 1 1 333 333 ASP CB C 13 41.259 0.002 . 1 . . . . . 332 Asp CB . 27380 1 833 . 1 1 333 333 ASP N N 15 120.548 0.007 . 1 . . . . . 332 Asp N . 27380 1 834 . 1 1 334 334 ALA H H 1 8.193 0.001 . 1 . . . . . 333 Ala H . 27380 1 835 . 1 1 334 334 ALA CA C 13 52.633 0.014 . 1 . . . . . 333 Ala CA . 27380 1 836 . 1 1 334 334 ALA CB C 13 19.208 0.007 . 1 . . . . . 333 Ala CB . 27380 1 837 . 1 1 334 334 ALA N N 15 123.918 0.028 . 1 . . . . . 333 Ala N . 27380 1 838 . 1 1 335 335 MET H H 1 8.288 0.001 . 1 . . . . . 334 Met H . 27380 1 839 . 1 1 335 335 MET CA C 13 55.543 0.020 . 1 . . . . . 334 Met CA . 27380 1 840 . 1 1 335 335 MET CB C 13 33.513 0.000 . 1 . . . . . 334 Met CB . 27380 1 841 . 1 1 335 335 MET N N 15 119.528 0.016 . 1 . . . . . 334 Met N . 27380 1 842 . 1 1 336 336 SER H H 1 8.627 0.002 . 1 . . . . . 335 Ser H . 27380 1 843 . 1 1 336 336 SER CA C 13 58.000 0.016 . 1 . . . . . 335 Ser CA . 27380 1 844 . 1 1 336 336 SER CB C 13 64.397 0.001 . 1 . . . . . 335 Ser CB . 27380 1 845 . 1 1 336 336 SER N N 15 118.073 0.011 . 1 . . . . . 335 Ser N . 27380 1 846 . 1 1 337 337 GLU H H 1 8.710 0.000 . 1 . . . . . 336 Glu H . 27380 1 847 . 1 1 337 337 GLU CA C 13 58.199 0.007 . 1 . . . . . 336 Glu CA . 27380 1 848 . 1 1 337 337 GLU CB C 13 29.852 0.000 . 1 . . . . . 336 Glu CB . 27380 1 849 . 1 1 337 337 GLU N N 15 122.953 0.028 . 1 . . . . . 336 Glu N . 27380 1 850 . 1 1 338 338 GLU H H 1 8.507 0.000 . 1 . . . . . 337 Glu H . 27380 1 851 . 1 1 338 338 GLU CA C 13 58.324 0.055 . 1 . . . . . 337 Glu CA . 27380 1 852 . 1 1 338 338 GLU CB C 13 29.755 0.000 . 1 . . . . . 337 Glu CB . 27380 1 853 . 1 1 338 338 GLU N N 15 120.111 0.003 . 1 . . . . . 337 Glu N . 27380 1 854 . 1 1 339 339 ASP H H 1 8.124 0.001 . 1 . . . . . 338 Asp H . 27380 1 855 . 1 1 339 339 ASP CA C 13 55.711 0.042 . 1 . . . . . 338 Asp CA . 27380 1 856 . 1 1 339 339 ASP CB C 13 40.779 0.003 . 1 . . . . . 338 Asp CB . 27380 1 857 . 1 1 339 339 ASP N N 15 120.722 0.070 . 1 . . . . . 338 Asp N . 27380 1 858 . 1 1 340 340 MET H H 1 8.198 0.000 . 1 . . . . . 339 Met H . 27380 1 859 . 1 1 340 340 MET CA C 13 56.943 0.001 . 1 . . . . . 339 Met CA . 27380 1 860 . 1 1 340 340 MET CB C 13 32.533 0.000 . 1 . . . . . 339 Met CB . 27380 1 861 . 1 1 340 340 MET N N 15 120.539 0.000 . 1 . . . . . 339 Met N . 27380 1 862 . 1 1 341 341 LEU H H 1 8.109 0.000 . 1 . . . . . 340 Leu H . 27380 1 863 . 1 1 341 341 LEU CA C 13 56.492 0.000 . 1 . . . . . 340 Leu CA . 27380 1 864 . 1 1 341 341 LEU CB C 13 41.814 0.001 . 1 . . . . . 340 Leu CB . 27380 1 865 . 1 1 341 341 LEU N N 15 121.667 0.003 . 1 . . . . . 340 Leu N . 27380 1 866 . 1 1 342 342 GLN H H 1 8.041 0.002 . 1 . . . . . 341 Gln H . 27380 1 867 . 1 1 342 342 GLN CA C 13 56.701 0.021 . 1 . . . . . 341 Gln CA . 27380 1 868 . 1 1 342 342 GLN CB C 13 28.852 0.004 . 1 . . . . . 341 Gln CB . 27380 1 869 . 1 1 342 342 GLN N N 15 119.213 0.009 . 1 . . . . . 341 Gln N . 27380 1 870 . 1 1 343 343 ALA H H 1 8.064 0.001 . 1 . . . . . 342 Ala H . 27380 1 871 . 1 1 343 343 ALA CA C 13 53.245 0.067 . 1 . . . . . 342 Ala CA . 27380 1 872 . 1 1 343 343 ALA CB C 13 18.799 0.000 . 1 . . . . . 342 Ala CB . 27380 1 873 . 1 1 343 343 ALA N N 15 123.562 0.013 . 1 . . . . . 342 Ala N . 27380 1 874 . 1 1 344 344 ALA H H 1 8.009 0.002 . 1 . . . . . 343 Ala H . 27380 1 875 . 1 1 344 344 ALA CA C 13 53.155 0.058 . 1 . . . . . 343 Ala CA . 27380 1 876 . 1 1 344 344 ALA CB C 13 18.798 0.001 . 1 . . . . . 343 Ala CB . 27380 1 877 . 1 1 344 344 ALA N N 15 121.964 0.011 . 1 . . . . . 343 Ala N . 27380 1 878 . 1 1 345 345 VAL H H 1 7.981 0.001 . 1 . . . . . 344 Val H . 27380 1 879 . 1 1 345 345 VAL CA C 13 63.290 0.025 . 1 . . . . . 344 Val CA . 27380 1 880 . 1 1 345 345 VAL CB C 13 32.429 0.002 . 1 . . . . . 344 Val CB . 27380 1 881 . 1 1 345 345 VAL N N 15 118.732 0.012 . 1 . . . . . 344 Val N . 27380 1 882 . 1 1 346 346 THR H H 1 8.151 0.001 . 1 . . . . . 345 Thr H . 27380 1 883 . 1 1 346 346 THR CA C 13 62.794 0.067 . 1 . . . . . 345 Thr CA . 27380 1 884 . 1 1 346 346 THR CB C 13 69.518 0.003 . 1 . . . . . 345 Thr CB . 27380 1 885 . 1 1 346 346 THR N N 15 117.214 0.015 . 1 . . . . . 345 Thr N . 27380 1 886 . 1 1 347 347 MET H H 1 8.265 0.001 . 1 . . . . . 346 Met H . 27380 1 887 . 1 1 347 347 MET CA C 13 55.954 0.041 . 1 . . . . . 346 Met CA . 27380 1 888 . 1 1 347 347 MET CB C 13 32.872 0.000 . 1 . . . . . 346 Met CB . 27380 1 889 . 1 1 347 347 MET N N 15 122.387 0.004 . 1 . . . . . 346 Met N . 27380 1 890 . 1 1 348 348 SER H H 1 8.246 0.001 . 1 . . . . . 347 Ser H . 27380 1 891 . 1 1 348 348 SER CA C 13 58.506 0.065 . 1 . . . . . 347 Ser CA . 27380 1 892 . 1 1 348 348 SER CB C 13 63.642 0.003 . 1 . . . . . 347 Ser CB . 27380 1 893 . 1 1 348 348 SER N N 15 116.780 0.008 . 1 . . . . . 347 Ser N . 27380 1 894 . 1 1 349 349 LEU H H 1 8.267 0.002 . 1 . . . . . 348 Leu H . 27380 1 895 . 1 1 349 349 LEU CA C 13 55.614 0.036 . 1 . . . . . 348 Leu CA . 27380 1 896 . 1 1 349 349 LEU CB C 13 42.248 0.005 . 1 . . . . . 348 Leu CB . 27380 1 897 . 1 1 349 349 LEU N N 15 124.073 0.016 . 1 . . . . . 348 Leu N . 27380 1 898 . 1 1 350 350 GLU H H 1 8.327 0.002 . 1 . . . . . 349 Glu H . 27380 1 899 . 1 1 350 350 GLU CA C 13 56.929 0.024 . 1 . . . . . 349 Glu CA . 27380 1 900 . 1 1 350 350 GLU CB C 13 30.154 0.003 . 1 . . . . . 349 Glu CB . 27380 1 901 . 1 1 350 350 GLU N N 15 120.675 0.012 . 1 . . . . . 349 Glu N . 27380 1 902 . 1 1 351 351 THR H H 1 8.079 0.001 . 1 . . . . . 350 Thr H . 27380 1 903 . 1 1 351 351 THR CA C 13 62.440 0.000 . 1 . . . . . 350 Thr CA . 27380 1 904 . 1 1 351 351 THR CB C 13 69.649 0.000 . 1 . . . . . 350 Thr CB . 27380 1 905 . 1 1 351 351 THR N N 15 115.150 0.010 . 1 . . . . . 350 Thr N . 27380 1 906 . 1 1 352 352 VAL H H 1 8.042 0.000 . 1 . . . . . 351 Val H . 27380 1 907 . 1 1 352 352 VAL CA C 13 62.626 0.055 . 1 . . . . . 351 Val CA . 27380 1 908 . 1 1 352 352 VAL CB C 13 32.532 0.003 . 1 . . . . . 351 Val CB . 27380 1 909 . 1 1 352 352 VAL N N 15 122.808 0.009 . 1 . . . . . 351 Val N . 27380 1 910 . 1 1 353 353 ARG H H 1 8.363 0.001 . 1 . . . . . 352 Arg H . 27380 1 911 . 1 1 353 353 ARG CA C 13 56.074 0.044 . 1 . . . . . 352 Arg CA . 27380 1 912 . 1 1 353 353 ARG CB C 13 30.834 0.003 . 1 . . . . . 352 Arg CB . 27380 1 913 . 1 1 353 353 ARG N N 15 124.623 0.004 . 1 . . . . . 352 Arg N . 27380 1 914 . 1 1 354 354 ASN H H 1 8.491 0.001 . 1 . . . . . 353 Asn H . 27380 1 915 . 1 1 354 354 ASN CA C 13 53.500 0.066 . 1 . . . . . 353 Asn CA . 27380 1 916 . 1 1 354 354 ASN CB C 13 38.920 0.001 . 1 . . . . . 353 Asn CB . 27380 1 917 . 1 1 354 354 ASN N N 15 120.464 0.010 . 1 . . . . . 353 Asn N . 27380 1 918 . 1 1 355 355 ASP H H 1 8.432 0.001 . 1 . . . . . 354 Asp H . 27380 1 919 . 1 1 355 355 ASP CA C 13 54.376 0.070 . 1 . . . . . 354 Asp CA . 27380 1 920 . 1 1 355 355 ASP CB C 13 40.779 0.001 . 1 . . . . . 354 Asp CB . 27380 1 921 . 1 1 355 355 ASP N N 15 120.421 0.010 . 1 . . . . . 354 Asp N . 27380 1 922 . 1 1 356 356 LEU H H 1 8.032 0.001 . 1 . . . . . 355 Leu H . 27380 1 923 . 1 1 356 356 LEU CA C 13 55.476 0.028 . 1 . . . . . 355 Leu CA . 27380 1 924 . 1 1 356 356 LEU CB C 13 42.105 0.004 . 1 . . . . . 355 Leu CB . 27380 1 925 . 1 1 356 356 LEU N N 15 121.663 0.008 . 1 . . . . . 355 Leu N . 27380 1 926 . 1 1 357 357 LYS H H 1 8.243 0.000 . 1 . . . . . 356 Lys H . 27380 1 927 . 1 1 357 357 LYS CA C 13 56.515 0.036 . 1 . . . . . 356 Lys CA . 27380 1 928 . 1 1 357 357 LYS CB C 13 32.666 0.003 . 1 . . . . . 356 Lys CB . 27380 1 929 . 1 1 357 357 LYS N N 15 121.672 0.003 . 1 . . . . . 356 Lys N . 27380 1 930 . 1 1 358 358 THR H H 1 8.096 0.001 . 1 . . . . . 357 Thr H . 27380 1 931 . 1 1 358 358 THR CA C 13 61.895 0.009 . 1 . . . . . 357 Thr CA . 27380 1 932 . 1 1 358 358 THR CB C 13 69.673 0.000 . 1 . . . . . 357 Thr CB . 27380 1 933 . 1 1 358 358 THR N N 15 114.957 0.005 . 1 . . . . . 357 Thr N . 27380 1 934 . 1 1 359 359 GLU H H 1 8.428 0.001 . 1 . . . . . 358 Glu H . 27380 1 935 . 1 1 359 359 GLU CA C 13 56.796 0.026 . 1 . . . . . 358 Glu CA . 27380 1 936 . 1 1 359 359 GLU CB C 13 30.361 0.000 . 1 . . . . . 358 Glu CB . 27380 1 937 . 1 1 359 359 GLU N N 15 123.310 0.003 . 1 . . . . . 358 Glu N . 27380 1 938 . 1 1 360 360 GLY H H 1 8.441 0.001 . 1 . . . . . 359 Gly H . 27380 1 939 . 1 1 360 360 GLY CA C 13 45.276 0.021 . 1 . . . . . 359 Gly CA . 27380 1 940 . 1 1 360 360 GLY N N 15 110.166 0.007 . 1 . . . . . 359 Gly N . 27380 1 941 . 1 1 361 361 LYS H H 1 8.091 0.001 . 1 . . . . . 360 Lys H . 27380 1 942 . 1 1 361 361 LYS CA C 13 56.241 0.013 . 1 . . . . . 360 Lys CA . 27380 1 943 . 1 1 361 361 LYS CB C 13 33.142 0.001 . 1 . . . . . 360 Lys CB . 27380 1 944 . 1 1 361 361 LYS N N 15 121.406 0.010 . 1 . . . . . 360 Lys N . 27380 1 945 . 1 1 362 362 LYS H H 1 8.026 0.000 . 1 . . . . . 361 Lys H . 27380 1 946 . 1 1 362 362 LYS CA C 13 57.679 0.000 . 1 . . . . . 361 Lys CA . 27380 1 947 . 1 1 362 362 LYS CB C 13 33.626 0.000 . 1 . . . . . 361 Lys CB . 27380 1 948 . 1 1 362 362 LYS N N 15 128.617 0.003 . 1 . . . . . 361 Lys N . 27380 1 stop_ save_