data_50920 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50920 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of cAMP-Binding Domains A and B of the PKA Regulatory Subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-04 _Entry.Accession_date 2021-05-04 _Entry.Last_release_date 2021-05-04 _Entry.Original_release_date 2021-05-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tyler McNicholl . . . . 50920 2 Rahul Das . . . . 50920 3 Soumita SilDas . . . . 50920 4 'Jung Ah' Byun . . . . 50920 5 Madoka Akimoto . . . . 50920 6 Naeimeh Jafari . . . . 50920 7 Giuseppe Melacini . . . . 50920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 760 50920 '15N chemical shifts' 249 50920 '1H chemical shifts' 249 50920 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 2 . . 2021-11-09 2021-05-04 update BMRB 'update entry citation' 50920 1 . . 2021-06-13 2021-05-04 original author 'original release' 50920 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50920 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34118011 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of the cAMP-binding domains of the protein kinase A regulatory subunit Ia ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 379 _Citation.Page_last 382 _Citation.Year 2021 _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 Tyler McNicholl . . . . 50920 1 2 Rahul Das . . . . 50920 1 3 Soumita SilDas . . . . 50920 1 4 'Jung Ah' Byun . . . . 50920 1 5 Madoka Akimoto . . . . 50920 1 6 Naeimeh Jafari . . . . 50920 1 7 Giuseppe Melacini . . . . 50920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50920 _Assembly.ID 1 _Assembly.Name 'cAMP-bound PKA regulatory subunit' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cAMP-binding domains of PKA' 1 $entity_1 . . yes native no no . . . 50920 1 2 cAMP 2 $entity_CMP . . no native no no . . . 50920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DYKTMAALAKAIEKNVLFSH LDDNERSDIFDAMFPVSFIA GETVIQQGDEGDNFYVIDQG EMDVYVNNEWATSVGEGGSF GELALIYGTPRAATVKAKTN VKLWGIDRDSYRRILMGSTL RKRKMYEEFLSKVSILESLD KWERLTVADALEPVQFEDGQ KIVVQGEPGDEFFIILEGSA AVLQRRSENEEFVEVGRLGP SDYFGEIALLMNRPRAATVV ARGPLKCVKLDRPRFERVLG PCSDILKRNIQQYNSFVSLS V ; _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 261 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 119 ASP . 50920 1 2 120 TYR . 50920 1 3 121 LYS . 50920 1 4 122 THR . 50920 1 5 123 MET . 50920 1 6 124 ALA . 50920 1 7 125 ALA . 50920 1 8 126 LEU . 50920 1 9 127 ALA . 50920 1 10 128 LYS . 50920 1 11 129 ALA . 50920 1 12 130 ILE . 50920 1 13 131 GLU . 50920 1 14 132 LYS . 50920 1 15 133 ASN . 50920 1 16 134 VAL . 50920 1 17 135 LEU . 50920 1 18 136 PHE . 50920 1 19 137 SER . 50920 1 20 138 HIS . 50920 1 21 139 LEU . 50920 1 22 140 ASP . 50920 1 23 141 ASP . 50920 1 24 142 ASN . 50920 1 25 143 GLU . 50920 1 26 144 ARG . 50920 1 27 145 SER . 50920 1 28 146 ASP . 50920 1 29 147 ILE . 50920 1 30 148 PHE . 50920 1 31 149 ASP . 50920 1 32 150 ALA . 50920 1 33 151 MET . 50920 1 34 152 PHE . 50920 1 35 153 PRO . 50920 1 36 154 VAL . 50920 1 37 155 SER . 50920 1 38 156 PHE . 50920 1 39 157 ILE . 50920 1 40 158 ALA . 50920 1 41 159 GLY . 50920 1 42 160 GLU . 50920 1 43 161 THR . 50920 1 44 162 VAL . 50920 1 45 163 ILE . 50920 1 46 164 GLN . 50920 1 47 165 GLN . 50920 1 48 166 GLY . 50920 1 49 167 ASP . 50920 1 50 168 GLU . 50920 1 51 169 GLY . 50920 1 52 170 ASP . 50920 1 53 171 ASN . 50920 1 54 172 PHE . 50920 1 55 173 TYR . 50920 1 56 174 VAL . 50920 1 57 175 ILE . 50920 1 58 176 ASP . 50920 1 59 177 GLN . 50920 1 60 178 GLY . 50920 1 61 179 GLU . 50920 1 62 180 MET . 50920 1 63 181 ASP . 50920 1 64 182 VAL . 50920 1 65 183 TYR . 50920 1 66 184 VAL . 50920 1 67 185 ASN . 50920 1 68 186 ASN . 50920 1 69 187 GLU . 50920 1 70 188 TRP . 50920 1 71 189 ALA . 50920 1 72 190 THR . 50920 1 73 191 SER . 50920 1 74 192 VAL . 50920 1 75 193 GLY . 50920 1 76 194 GLU . 50920 1 77 195 GLY . 50920 1 78 196 GLY . 50920 1 79 197 SER . 50920 1 80 198 PHE . 50920 1 81 199 GLY . 50920 1 82 200 GLU . 50920 1 83 201 LEU . 50920 1 84 202 ALA . 50920 1 85 203 LEU . 50920 1 86 204 ILE . 50920 1 87 205 TYR . 50920 1 88 206 GLY . 50920 1 89 207 THR . 50920 1 90 208 PRO . 50920 1 91 209 ARG . 50920 1 92 210 ALA . 50920 1 93 211 ALA . 50920 1 94 212 THR . 50920 1 95 213 VAL . 50920 1 96 214 LYS . 50920 1 97 215 ALA . 50920 1 98 216 LYS . 50920 1 99 217 THR . 50920 1 100 218 ASN . 50920 1 101 219 VAL . 50920 1 102 220 LYS . 50920 1 103 221 LEU . 50920 1 104 222 TRP . 50920 1 105 223 GLY . 50920 1 106 224 ILE . 50920 1 107 225 ASP . 50920 1 108 226 ARG . 50920 1 109 227 ASP . 50920 1 110 228 SER . 50920 1 111 229 TYR . 50920 1 112 230 ARG . 50920 1 113 231 ARG . 50920 1 114 232 ILE . 50920 1 115 233 LEU . 50920 1 116 234 MET . 50920 1 117 235 GLY . 50920 1 118 236 SER . 50920 1 119 237 THR . 50920 1 120 238 LEU . 50920 1 121 239 ARG . 50920 1 122 240 LYS . 50920 1 123 241 ARG . 50920 1 124 242 LYS . 50920 1 125 243 MET . 50920 1 126 244 TYR . 50920 1 127 245 GLU . 50920 1 128 246 GLU . 50920 1 129 247 PHE . 50920 1 130 248 LEU . 50920 1 131 249 SER . 50920 1 132 250 LYS . 50920 1 133 251 VAL . 50920 1 134 252 SER . 50920 1 135 253 ILE . 50920 1 136 254 LEU . 50920 1 137 255 GLU . 50920 1 138 256 SER . 50920 1 139 257 LEU . 50920 1 140 258 ASP . 50920 1 141 259 LYS . 50920 1 142 260 TRP . 50920 1 143 261 GLU . 50920 1 144 262 ARG . 50920 1 145 263 LEU . 50920 1 146 264 THR . 50920 1 147 265 VAL . 50920 1 148 266 ALA . 50920 1 149 267 ASP . 50920 1 150 268 ALA . 50920 1 151 269 LEU . 50920 1 152 270 GLU . 50920 1 153 271 PRO . 50920 1 154 272 VAL . 50920 1 155 273 GLN . 50920 1 156 274 PHE . 50920 1 157 275 GLU . 50920 1 158 276 ASP . 50920 1 159 277 GLY . 50920 1 160 278 GLN . 50920 1 161 279 LYS . 50920 1 162 280 ILE . 50920 1 163 281 VAL . 50920 1 164 282 VAL . 50920 1 165 283 GLN . 50920 1 166 284 GLY . 50920 1 167 285 GLU . 50920 1 168 286 PRO . 50920 1 169 287 GLY . 50920 1 170 288 ASP . 50920 1 171 289 GLU . 50920 1 172 290 PHE . 50920 1 173 291 PHE . 50920 1 174 292 ILE . 50920 1 175 293 ILE . 50920 1 176 294 LEU . 50920 1 177 295 GLU . 50920 1 178 296 GLY . 50920 1 179 297 SER . 50920 1 180 298 ALA . 50920 1 181 299 ALA . 50920 1 182 300 VAL . 50920 1 183 301 LEU . 50920 1 184 302 GLN . 50920 1 185 303 ARG . 50920 1 186 304 ARG . 50920 1 187 305 SER . 50920 1 188 306 GLU . 50920 1 189 307 ASN . 50920 1 190 308 GLU . 50920 1 191 309 GLU . 50920 1 192 310 PHE . 50920 1 193 311 VAL . 50920 1 194 312 GLU . 50920 1 195 313 VAL . 50920 1 196 314 GLY . 50920 1 197 315 ARG . 50920 1 198 316 LEU . 50920 1 199 317 GLY . 50920 1 200 318 PRO . 50920 1 201 319 SER . 50920 1 202 320 ASP . 50920 1 203 321 TYR . 50920 1 204 322 PHE . 50920 1 205 323 GLY . 50920 1 206 324 GLU . 50920 1 207 325 ILE . 50920 1 208 326 ALA . 50920 1 209 327 LEU . 50920 1 210 328 LEU . 50920 1 211 329 MET . 50920 1 212 330 ASN . 50920 1 213 331 ARG . 50920 1 214 332 PRO . 50920 1 215 333 ARG . 50920 1 216 334 ALA . 50920 1 217 335 ALA . 50920 1 218 336 THR . 50920 1 219 337 VAL . 50920 1 220 338 VAL . 50920 1 221 339 ALA . 50920 1 222 340 ARG . 50920 1 223 341 GLY . 50920 1 224 342 PRO . 50920 1 225 343 LEU . 50920 1 226 344 LYS . 50920 1 227 345 CYS . 50920 1 228 346 VAL . 50920 1 229 347 LYS . 50920 1 230 348 LEU . 50920 1 231 349 ASP . 50920 1 232 350 ARG . 50920 1 233 351 PRO . 50920 1 234 352 ARG . 50920 1 235 353 PHE . 50920 1 236 354 GLU . 50920 1 237 355 ARG . 50920 1 238 356 VAL . 50920 1 239 357 LEU . 50920 1 240 358 GLY . 50920 1 241 359 PRO . 50920 1 242 360 CYS . 50920 1 243 361 SER . 50920 1 244 362 ASP . 50920 1 245 363 ILE . 50920 1 246 364 LEU . 50920 1 247 365 LYS . 50920 1 248 366 ARG . 50920 1 249 367 ASN . 50920 1 250 368 ILE . 50920 1 251 369 GLN . 50920 1 252 370 GLN . 50920 1 253 371 TYR . 50920 1 254 372 ASN . 50920 1 255 373 SER . 50920 1 256 374 PHE . 50920 1 257 375 VAL . 50920 1 258 376 SER . 50920 1 259 377 LEU . 50920 1 260 378 SER . 50920 1 261 379 VAL . 50920 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 . ASP 1 1 50920 1 . TYR 2 2 50920 1 . LYS 3 3 50920 1 . THR 4 4 50920 1 . MET 5 5 50920 1 . ALA 6 6 50920 1 . ALA 7 7 50920 1 . LEU 8 8 50920 1 . ALA 9 9 50920 1 . LYS 10 10 50920 1 . ALA 11 11 50920 1 . ILE 12 12 50920 1 . GLU 13 13 50920 1 . LYS 14 14 50920 1 . ASN 15 15 50920 1 . VAL 16 16 50920 1 . LEU 17 17 50920 1 . PHE 18 18 50920 1 . SER 19 19 50920 1 . HIS 20 20 50920 1 . LEU 21 21 50920 1 . ASP 22 22 50920 1 . ASP 23 23 50920 1 . ASN 24 24 50920 1 . GLU 25 25 50920 1 . ARG 26 26 50920 1 . SER 27 27 50920 1 . ASP 28 28 50920 1 . ILE 29 29 50920 1 . PHE 30 30 50920 1 . ASP 31 31 50920 1 . ALA 32 32 50920 1 . MET 33 33 50920 1 . PHE 34 34 50920 1 . PRO 35 35 50920 1 . VAL 36 36 50920 1 . SER 37 37 50920 1 . PHE 38 38 50920 1 . ILE 39 39 50920 1 . ALA 40 40 50920 1 . GLY 41 41 50920 1 . GLU 42 42 50920 1 . THR 43 43 50920 1 . VAL 44 44 50920 1 . ILE 45 45 50920 1 . GLN 46 46 50920 1 . GLN 47 47 50920 1 . GLY 48 48 50920 1 . ASP 49 49 50920 1 . GLU 50 50 50920 1 . GLY 51 51 50920 1 . ASP 52 52 50920 1 . ASN 53 53 50920 1 . PHE 54 54 50920 1 . TYR 55 55 50920 1 . VAL 56 56 50920 1 . ILE 57 57 50920 1 . ASP 58 58 50920 1 . GLN 59 59 50920 1 . GLY 60 60 50920 1 . GLU 61 61 50920 1 . MET 62 62 50920 1 . ASP 63 63 50920 1 . VAL 64 64 50920 1 . TYR 65 65 50920 1 . VAL 66 66 50920 1 . ASN 67 67 50920 1 . ASN 68 68 50920 1 . GLU 69 69 50920 1 . TRP 70 70 50920 1 . ALA 71 71 50920 1 . THR 72 72 50920 1 . SER 73 73 50920 1 . VAL 74 74 50920 1 . GLY 75 75 50920 1 . GLU 76 76 50920 1 . GLY 77 77 50920 1 . GLY 78 78 50920 1 . SER 79 79 50920 1 . PHE 80 80 50920 1 . GLY 81 81 50920 1 . GLU 82 82 50920 1 . LEU 83 83 50920 1 . ALA 84 84 50920 1 . LEU 85 85 50920 1 . ILE 86 86 50920 1 . TYR 87 87 50920 1 . GLY 88 88 50920 1 . THR 89 89 50920 1 . PRO 90 90 50920 1 . ARG 91 91 50920 1 . ALA 92 92 50920 1 . ALA 93 93 50920 1 . THR 94 94 50920 1 . VAL 95 95 50920 1 . LYS 96 96 50920 1 . ALA 97 97 50920 1 . LYS 98 98 50920 1 . THR 99 99 50920 1 . ASN 100 100 50920 1 . VAL 101 101 50920 1 . LYS 102 102 50920 1 . LEU 103 103 50920 1 . TRP 104 104 50920 1 . GLY 105 105 50920 1 . ILE 106 106 50920 1 . ASP 107 107 50920 1 . ARG 108 108 50920 1 . ASP 109 109 50920 1 . SER 110 110 50920 1 . TYR 111 111 50920 1 . ARG 112 112 50920 1 . ARG 113 113 50920 1 . ILE 114 114 50920 1 . LEU 115 115 50920 1 . MET 116 116 50920 1 . GLY 117 117 50920 1 . SER 118 118 50920 1 . THR 119 119 50920 1 . LEU 120 120 50920 1 . ARG 121 121 50920 1 . LYS 122 122 50920 1 . ARG 123 123 50920 1 . LYS 124 124 50920 1 . MET 125 125 50920 1 . TYR 126 126 50920 1 . GLU 127 127 50920 1 . GLU 128 128 50920 1 . PHE 129 129 50920 1 . LEU 130 130 50920 1 . SER 131 131 50920 1 . LYS 132 132 50920 1 . VAL 133 133 50920 1 . SER 134 134 50920 1 . ILE 135 135 50920 1 . LEU 136 136 50920 1 . GLU 137 137 50920 1 . SER 138 138 50920 1 . LEU 139 139 50920 1 . ASP 140 140 50920 1 . LYS 141 141 50920 1 . TRP 142 142 50920 1 . GLU 143 143 50920 1 . ARG 144 144 50920 1 . LEU 145 145 50920 1 . THR 146 146 50920 1 . VAL 147 147 50920 1 . ALA 148 148 50920 1 . ASP 149 149 50920 1 . ALA 150 150 50920 1 . LEU 151 151 50920 1 . GLU 152 152 50920 1 . PRO 153 153 50920 1 . VAL 154 154 50920 1 . GLN 155 155 50920 1 . PHE 156 156 50920 1 . GLU 157 157 50920 1 . ASP 158 158 50920 1 . GLY 159 159 50920 1 . GLN 160 160 50920 1 . LYS 161 161 50920 1 . ILE 162 162 50920 1 . VAL 163 163 50920 1 . VAL 164 164 50920 1 . GLN 165 165 50920 1 . GLY 166 166 50920 1 . GLU 167 167 50920 1 . PRO 168 168 50920 1 . GLY 169 169 50920 1 . ASP 170 170 50920 1 . GLU 171 171 50920 1 . PHE 172 172 50920 1 . PHE 173 173 50920 1 . ILE 174 174 50920 1 . ILE 175 175 50920 1 . LEU 176 176 50920 1 . GLU 177 177 50920 1 . GLY 178 178 50920 1 . SER 179 179 50920 1 . ALA 180 180 50920 1 . ALA 181 181 50920 1 . VAL 182 182 50920 1 . LEU 183 183 50920 1 . GLN 184 184 50920 1 . ARG 185 185 50920 1 . ARG 186 186 50920 1 . SER 187 187 50920 1 . GLU 188 188 50920 1 . ASN 189 189 50920 1 . GLU 190 190 50920 1 . GLU 191 191 50920 1 . PHE 192 192 50920 1 . VAL 193 193 50920 1 . GLU 194 194 50920 1 . VAL 195 195 50920 1 . GLY 196 196 50920 1 . ARG 197 197 50920 1 . LEU 198 198 50920 1 . GLY 199 199 50920 1 . PRO 200 200 50920 1 . SER 201 201 50920 1 . ASP 202 202 50920 1 . TYR 203 203 50920 1 . PHE 204 204 50920 1 . GLY 205 205 50920 1 . GLU 206 206 50920 1 . ILE 207 207 50920 1 . ALA 208 208 50920 1 . LEU 209 209 50920 1 . LEU 210 210 50920 1 . MET 211 211 50920 1 . ASN 212 212 50920 1 . ARG 213 213 50920 1 . PRO 214 214 50920 1 . ARG 215 215 50920 1 . ALA 216 216 50920 1 . ALA 217 217 50920 1 . THR 218 218 50920 1 . VAL 219 219 50920 1 . VAL 220 220 50920 1 . ALA 221 221 50920 1 . ARG 222 222 50920 1 . GLY 223 223 50920 1 . PRO 224 224 50920 1 . LEU 225 225 50920 1 . LYS 226 226 50920 1 . CYS 227 227 50920 1 . VAL 228 228 50920 1 . LYS 229 229 50920 1 . LEU 230 230 50920 1 . ASP 231 231 50920 1 . ARG 232 232 50920 1 . PRO 233 233 50920 1 . ARG 234 234 50920 1 . PHE 235 235 50920 1 . GLU 236 236 50920 1 . ARG 237 237 50920 1 . VAL 238 238 50920 1 . LEU 239 239 50920 1 . GLY 240 240 50920 1 . PRO 241 241 50920 1 . CYS 242 242 50920 1 . SER 243 243 50920 1 . ASP 244 244 50920 1 . ILE 245 245 50920 1 . LEU 246 246 50920 1 . LYS 247 247 50920 1 . ARG 248 248 50920 1 . ASN 249 249 50920 1 . ILE 250 250 50920 1 . GLN 251 251 50920 1 . GLN 252 252 50920 1 . TYR 253 253 50920 1 . ASN 254 254 50920 1 . SER 255 255 50920 1 . PHE 256 256 50920 1 . VAL 257 257 50920 1 . SER 258 258 50920 1 . LEU 259 259 50920 1 . SER 260 260 50920 1 . VAL 261 261 50920 1 stop_ save_ save_entity_CMP _Entity.Sf_category entity _Entity.Sf_framecode entity_CMP _Entity.Entry_ID 50920 _Entity.ID 2 _Entity.BMRB_code CMP _Entity.Name entity_CMP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CMP _Entity.Nonpolymer_comp_label $chem_comp_CMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 329.206 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE BMRB 50920 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE BMRB 50920 2 CMP 'Three letter code' 50920 2 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 1 CMP $chem_comp_CMP 50920 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50920 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 50920 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50920 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pRSET-B . . . 50920 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CMP _Chem_comp.Entry_ID 50920 _Chem_comp.ID CMP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CMP _Chem_comp.PDB_code CMP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CMP _Chem_comp.Number_atoms_all 34 _Chem_comp.Number_atoms_nh 22 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'CYCLIC AMP; CAMP' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H12 N5 O6 P' _Chem_comp.Formula_weight 329.206 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1RUN _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID IVOMOUWHDPKRLL-KQYNXXCUSA-N InChIKey InChI 1.03 50920 CMP ; InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 50920 CMP Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O SMILES_CANONICAL CACTVS 3.341 50920 CMP Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O SMILES CACTVS 3.341 50920 CMP O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O SMILES ACDLabs 10.04 50920 CMP c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 50920 CMP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50920 CMP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (1R,4R,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50920 CMP '(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide' 'SYSTEMATIC NAME' ACDLabs 10.04 50920 CMP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P P P P . P . . R 0 . . . 1 N N . . . . 23.331 . 65.840 . 7.282 . 0.035 0.457 -4.129 1 . 50920 CMP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 24.410 . 65.875 . 8.285 . 1.127 1.448 -4.010 2 . 50920 CMP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 22.096 . 66.642 . 7.482 . -0.773 0.723 -5.496 3 . 50920 CMP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 24.063 . 66.219 . 5.913 . 0.664 -1.020 -4.167 4 . 50920 CMP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 23.590 . 65.766 . 4.634 . 1.291 -1.282 -2.903 5 . 50920 CMP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 22.867 . 64.454 . 4.776 . 0.229 -1.157 -1.826 6 . 50920 CMP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 23.145 . 63.564 . 3.660 . 0.656 -1.453 -0.497 7 . 50920 CMP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 23.378 . 63.641 . 5.941 . -0.193 0.332 -1.731 8 . 50920 CMP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 22.893 . 64.317 . 7.078 . -0.970 0.624 -2.876 9 . 50920 CMP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 22.798 . 62.275 . 5.618 . -0.954 0.340 -0.394 10 . 50920 CMP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 21.396 . 62.250 . 5.837 . -2.353 0.144 -0.610 11 . 50920 CMP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 23.073 . 62.218 . 4.113 . -0.331 -0.851 0.372 12 . 50920 CMP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 24.303 . 61.528 . 3.719 . 0.309 -0.374 1.600 13 . 50920 CMP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 25.623 . 61.948 . 3.754 . 1.602 0.035 1.728 14 . 50920 CMP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 26.473 . 61.067 . 3.259 . 1.836 0.393 2.958 15 . 50920 CMP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 25.660 . 59.993 . 2.899 . 0.708 0.241 3.693 16 . 50920 CMP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 25.939 . 58.758 . 2.334 . 0.372 0.452 5.041 17 . 50920 CMP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 27.173 . 58.368 . 2.015 . 1.309 0.938 5.937 18 . 50920 CMP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 24.912 . 57.922 . 2.097 . -0.867 0.180 5.434 19 . 50920 CMP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 23.693 . 58.298 . 2.413 . -1.767 -0.282 4.587 20 . 50920 CMP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 23.282 . 59.438 . 2.960 . -1.496 -0.501 3.317 21 . 50920 CMP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 24.329 . 60.259 . 3.182 . -0.282 -0.258 2.833 22 . 50920 CMP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 21.400 . 66.619 . 6.835 . -0.136 0.638 -6.218 23 . 50920 CMP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 22.959 . 66.534 . 4.128 . 2.083 -0.554 -2.726 24 . 50920 CMP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 24.413 . 65.707 . 3.884 . 1.706 -2.290 -2.899 25 . 50920 CMP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 21.796 . 64.749 . 4.871 . -0.632 -1.772 -2.084 26 . 50920 CMP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 24.471 . 63.518 . 6.123 . 0.687 0.973 -1.690 27 . 50920 CMP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 23.219 . 61.440 . 6.226 . -0.776 1.272 0.143 28 . 50920 CMP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 21.033 . 61.395 . 5.635 . -2.775 0.159 0.259 29 . 50920 CMP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 22.248 . 61.623 . 3.654 . -1.104 -1.580 0.616 30 . 50920 CMP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 25.973 . 62.916 . 4.148 . 2.327 0.059 0.928 31 . 50920 CMP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 27.378 . 57.459 . 1.599 . 1.063 1.083 6.864 32 . 50920 CMP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 27.747 . 58.456 . 2.853 . 2.212 1.129 5.639 33 . 50920 CMP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 22.908 . 57.556 . 2.188 . -2.763 -0.490 4.948 34 . 50920 CMP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P N N 1 . 50920 CMP 2 . SING P O2P N N 2 . 50920 CMP 3 . SING P O5' N N 3 . 50920 CMP 4 . SING P O3' N N 4 . 50920 CMP 5 . SING O2P HOP2 N N 5 . 50920 CMP 6 . SING O5' C5' N N 6 . 50920 CMP 7 . SING C5' C4' N N 7 . 50920 CMP 8 . SING C5' H5'1 N N 8 . 50920 CMP 9 . SING C5' H5'2 N N 9 . 50920 CMP 10 . SING C4' O4' N N 10 . 50920 CMP 11 . SING C4' C3' N N 11 . 50920 CMP 12 . SING C4' H4' N N 12 . 50920 CMP 13 . SING O4' C1' N N 13 . 50920 CMP 14 . SING C3' O3' N N 14 . 50920 CMP 15 . SING C3' C2' N N 15 . 50920 CMP 16 . SING C3' H3' N N 16 . 50920 CMP 17 . SING C2' O2' N N 17 . 50920 CMP 18 . SING C2' C1' N N 18 . 50920 CMP 19 . SING C2' H2' N N 19 . 50920 CMP 20 . SING O2' HO2' N N 20 . 50920 CMP 21 . SING C1' N9 N N 21 . 50920 CMP 22 . SING C1' H1' N N 22 . 50920 CMP 23 . SING N9 C8 Y N 23 . 50920 CMP 24 . SING N9 C4 Y N 24 . 50920 CMP 25 . DOUB C8 N7 Y N 25 . 50920 CMP 26 . SING C8 H8 N N 26 . 50920 CMP 27 . SING N7 C5 Y N 27 . 50920 CMP 28 . SING C5 C6 Y N 28 . 50920 CMP 29 . DOUB C5 C4 Y N 29 . 50920 CMP 30 . SING C6 N6 N N 30 . 50920 CMP 31 . DOUB C6 N1 Y N 31 . 50920 CMP 32 . SING N6 HN61 N N 32 . 50920 CMP 33 . SING N6 HN62 N N 33 . 50920 CMP 34 . SING N1 C2 Y N 34 . 50920 CMP 35 . DOUB C2 N3 Y N 35 . 50920 CMP 36 . SING C2 H2 N N 36 . 50920 CMP 37 . SING N3 C4 Y N 37 . 50920 CMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50920 _Sample.ID 1 _Sample.Name 'cAMP-bound PKA regulatory subunit' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PKA regulatory subunit' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50920 1 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50920 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50920 1 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 50920 1 5 ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE 'natural abundance' . . . . . . 2 . . mM . . . . 50920 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 50920 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50920 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50920 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'cAMP-bound PKA regulatory subunit' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50920 1 temperature 306 . K 50920 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50920 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50920 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50920 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50920 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50920 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50920 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference set' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50920 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50920 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50920 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50920 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PKAR119379cAMP _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50920 1 2 '3D HNCA' . . . 50920 1 3 '3D HN(CO)CA' . . . 50920 1 4 '3D HNCO' . . . 50920 1 5 '3D HNCACO' . . . 50920 1 6 '3D HNCACB' . . . 50920 1 7 '3D CBCA(CO)NH' . . . 50920 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50920 1 2 $software_2 . . 50920 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP C C 13 175.9 0.15 . 1 . . . . . 119 ASP C . 50920 1 2 . 1 . 1 1 1 ASP CA C 13 53.4 0.15 . 1 . . . . . 119 ASP CA . 50920 1 3 . 1 . 1 1 1 ASP CB C 13 41.7 0.15 . 1 . . . . . 119 ASP CB . 50920 1 4 . 1 . 1 2 2 TYR H H 1 8.48 0.02 . 1 . . . . . 120 TYR H . 50920 1 5 . 1 . 1 2 2 TYR C C 13 177.2 0.15 . 1 . . . . . 120 TYR C . 50920 1 6 . 1 . 1 2 2 TYR CA C 13 61.2 0.15 . 1 . . . . . 120 TYR CA . 50920 1 7 . 1 . 1 2 2 TYR CB C 13 38.0 0.15 . 1 . . . . . 120 TYR CB . 50920 1 8 . 1 . 1 2 2 TYR N N 15 121.7 0.15 . 1 . . . . . 120 TYR N . 50920 1 9 . 1 . 1 3 3 LYS H H 1 8.11 0.02 . 1 . . . . . 121 LYS H . 50920 1 10 . 1 . 1 3 3 LYS C C 13 179.5 0.15 . 1 . . . . . 121 LYS C . 50920 1 11 . 1 . 1 3 3 LYS CA C 13 59.4 0.15 . 1 . . . . . 121 LYS CA . 50920 1 12 . 1 . 1 3 3 LYS CB C 13 31.7 0.15 . 1 . . . . . 121 LYS CB . 50920 1 13 . 1 . 1 3 3 LYS N N 15 119.9 0.15 . 1 . . . . . 121 LYS N . 50920 1 14 . 1 . 1 4 4 THR H H 1 7.89 0.02 . 1 . . . . . 122 THR H . 50920 1 15 . 1 . 1 4 4 THR C C 13 175.8 0.15 . 1 . . . . . 122 THR C . 50920 1 16 . 1 . 1 4 4 THR CA C 13 66.1 0.15 . 1 . . . . . 122 THR CA . 50920 1 17 . 1 . 1 4 4 THR CB C 13 68.3 0.15 . 1 . . . . . 122 THR CB . 50920 1 18 . 1 . 1 4 4 THR N N 15 118.1 0.15 . 1 . . . . . 122 THR N . 50920 1 19 . 1 . 1 5 5 MET H H 1 8.05 0.02 . 1 . . . . . 123 MET H . 50920 1 20 . 1 . 1 5 5 MET C C 13 177.9 0.15 . 1 . . . . . 123 MET C . 50920 1 21 . 1 . 1 5 5 MET CA C 13 59.0 0.15 . 1 . . . . . 123 MET CA . 50920 1 22 . 1 . 1 5 5 MET CB C 13 32.6 0.15 . 1 . . . . . 123 MET CB . 50920 1 23 . 1 . 1 5 5 MET N N 15 121.3 0.15 . 1 . . . . . 123 MET N . 50920 1 24 . 1 . 1 6 6 ALA H H 1 8.06 0.02 . 1 . . . . . 124 ALA H . 50920 1 25 . 1 . 1 6 6 ALA C C 13 180.3 0.15 . 1 . . . . . 124 ALA C . 50920 1 26 . 1 . 1 6 6 ALA CA C 13 54.7 0.15 . 1 . . . . . 124 ALA CA . 50920 1 27 . 1 . 1 6 6 ALA CB C 13 17.4 0.15 . 1 . . . . . 124 ALA CB . 50920 1 28 . 1 . 1 6 6 ALA N N 15 121.1 0.15 . 1 . . . . . 124 ALA N . 50920 1 29 . 1 . 1 7 7 ALA H H 1 7.45 0.02 . 1 . . . . . 125 ALA H . 50920 1 30 . 1 . 1 7 7 ALA C C 13 180.4 0.15 . 1 . . . . . 125 ALA C . 50920 1 31 . 1 . 1 7 7 ALA CA C 13 54.8 0.15 . 1 . . . . . 125 ALA CA . 50920 1 32 . 1 . 1 7 7 ALA CB C 13 18.1 0.15 . 1 . . . . . 125 ALA CB . 50920 1 33 . 1 . 1 7 7 ALA N N 15 121.1 0.15 . 1 . . . . . 125 ALA N . 50920 1 34 . 1 . 1 8 8 LEU H H 1 8.02 0.02 . 1 . . . . . 126 LEU H . 50920 1 35 . 1 . 1 8 8 LEU C C 13 177.9 0.15 . 1 . . . . . 126 LEU C . 50920 1 36 . 1 . 1 8 8 LEU CA C 13 57.3 0.15 . 1 . . . . . 126 LEU CA . 50920 1 37 . 1 . 1 8 8 LEU CB C 13 40.2 0.15 . 1 . . . . . 126 LEU CB . 50920 1 38 . 1 . 1 8 8 LEU N N 15 123.0 0.15 . 1 . . . . . 126 LEU N . 50920 1 39 . 1 . 1 9 9 ALA H H 1 8.08 0.02 . 1 . . . . . 127 ALA H . 50920 1 40 . 1 . 1 9 9 ALA C C 13 180.3 0.15 . 1 . . . . . 127 ALA C . 50920 1 41 . 1 . 1 9 9 ALA CA C 13 55.1 0.15 . 1 . . . . . 127 ALA CA . 50920 1 42 . 1 . 1 9 9 ALA CB C 13 17.6 0.15 . 1 . . . . . 127 ALA CB . 50920 1 43 . 1 . 1 9 9 ALA N N 15 120.1 0.15 . 1 . . . . . 127 ALA N . 50920 1 44 . 1 . 1 10 10 LYS H H 1 7.35 0.02 . 1 . . . . . 128 LYS H . 50920 1 45 . 1 . 1 10 10 LYS C C 13 178.4 0.15 . 1 . . . . . 128 LYS C . 50920 1 46 . 1 . 1 10 10 LYS CA C 13 58.6 0.15 . 1 . . . . . 128 LYS CA . 50920 1 47 . 1 . 1 10 10 LYS CB C 13 32.0 0.15 . 1 . . . . . 128 LYS CB . 50920 1 48 . 1 . 1 10 10 LYS N N 15 116.8 0.15 . 1 . . . . . 128 LYS N . 50920 1 49 . 1 . 1 11 11 ALA H H 1 7.58 0.02 . 1 . . . . . 129 ALA H . 50920 1 50 . 1 . 1 11 11 ALA C C 13 180.5 0.15 . 1 . . . . . 129 ALA C . 50920 1 51 . 1 . 1 11 11 ALA CA C 13 55.1 0.15 . 1 . . . . . 129 ALA CA . 50920 1 52 . 1 . 1 11 11 ALA CB C 13 17.9 0.15 . 1 . . . . . 129 ALA CB . 50920 1 53 . 1 . 1 11 11 ALA N N 15 121.9 0.15 . 1 . . . . . 129 ALA N . 50920 1 54 . 1 . 1 12 12 ILE H H 1 7.68 0.02 . 1 . . . . . 130 ILE H . 50920 1 55 . 1 . 1 12 12 ILE C C 13 177.7 0.15 . 1 . . . . . 130 ILE C . 50920 1 56 . 1 . 1 12 12 ILE CA C 13 63.3 0.15 . 1 . . . . . 130 ILE CA . 50920 1 57 . 1 . 1 12 12 ILE CB C 13 37.5 0.15 . 1 . . . . . 130 ILE CB . 50920 1 58 . 1 . 1 12 12 ILE N N 15 115.0 0.15 . 1 . . . . . 130 ILE N . 50920 1 59 . 1 . 1 13 13 GLU H H 1 7.43 0.02 . 1 . . . . . 131 GLU H . 50920 1 60 . 1 . 1 13 13 GLU C C 13 177.9 0.15 . 1 . . . . . 131 GLU C . 50920 1 61 . 1 . 1 13 13 GLU CA C 13 58.7 0.15 . 1 . . . . . 131 GLU CA . 50920 1 62 . 1 . 1 13 13 GLU CB C 13 29.7 0.15 . 1 . . . . . 131 GLU CB . 50920 1 63 . 1 . 1 13 13 GLU N N 15 119.0 0.15 . 1 . . . . . 131 GLU N . 50920 1 64 . 1 . 1 14 14 LYS H H 1 7.44 0.02 . 1 . . . . . 132 LYS H . 50920 1 65 . 1 . 1 14 14 LYS C C 13 176.4 0.15 . 1 . . . . . 132 LYS C . 50920 1 66 . 1 . 1 14 14 LYS CA C 13 56.4 0.15 . 1 . . . . . 132 LYS CA . 50920 1 67 . 1 . 1 14 14 LYS CB C 13 32.9 0.15 . 1 . . . . . 132 LYS CB . 50920 1 68 . 1 . 1 14 14 LYS N N 15 114.1 0.15 . 1 . . . . . 132 LYS N . 50920 1 69 . 1 . 1 15 15 ASN H H 1 7.53 0.02 . 1 . . . . . 133 ASN H . 50920 1 70 . 1 . 1 15 15 ASN C C 13 176.8 0.15 . 1 . . . . . 133 ASN C . 50920 1 71 . 1 . 1 15 15 ASN CA C 13 53.6 0.15 . 1 . . . . . 133 ASN CA . 50920 1 72 . 1 . 1 15 15 ASN CB C 13 40.3 0.15 . 1 . . . . . 133 ASN CB . 50920 1 73 . 1 . 1 15 15 ASN N N 15 119.6 0.15 . 1 . . . . . 133 ASN N . 50920 1 74 . 1 . 1 16 16 VAL H H 1 8.43 0.02 . 1 . . . . . 134 VAL H . 50920 1 75 . 1 . 1 16 16 VAL C C 13 177.3 0.15 . 1 . . . . . 134 VAL C . 50920 1 76 . 1 . 1 16 16 VAL CA C 13 64.4 0.15 . 1 . . . . . 134 VAL CA . 50920 1 77 . 1 . 1 16 16 VAL CB C 13 31.5 0.15 . 1 . . . . . 134 VAL CB . 50920 1 78 . 1 . 1 16 16 VAL N N 15 125.4 0.15 . 1 . . . . . 134 VAL N . 50920 1 79 . 1 . 1 17 17 LEU H H 1 8.16 0.02 . 1 . . . . . 135 LEU H . 50920 1 80 . 1 . 1 17 17 LEU C C 13 178.0 0.15 . 1 . . . . . 135 LEU C . 50920 1 81 . 1 . 1 17 17 LEU CA C 13 57.1 0.15 . 1 . . . . . 135 LEU CA . 50920 1 82 . 1 . 1 17 17 LEU CB C 13 41.9 0.15 . 1 . . . . . 135 LEU CB . 50920 1 83 . 1 . 1 17 17 LEU N N 15 121.8 0.15 . 1 . . . . . 135 LEU N . 50920 1 84 . 1 . 1 18 18 PHE H H 1 7.44 0.02 . 1 . . . . . 136 PHE H . 50920 1 85 . 1 . 1 18 18 PHE C C 13 177.6 0.15 . 1 . . . . . 136 PHE C . 50920 1 86 . 1 . 1 18 18 PHE CA C 13 56.5 0.15 . 1 . . . . . 136 PHE CA . 50920 1 87 . 1 . 1 18 18 PHE CB C 13 39.1 0.15 . 1 . . . . . 136 PHE CB . 50920 1 88 . 1 . 1 18 18 PHE N N 15 113.5 0.15 . 1 . . . . . 136 PHE N . 50920 1 89 . 1 . 1 19 19 SER H H 1 7.62 0.02 . 1 . . . . . 137 SER H . 50920 1 90 . 1 . 1 19 19 SER CA C 13 61.4 0.15 . 1 . . . . . 137 SER CA . 50920 1 91 . 1 . 1 19 19 SER CB C 13 63.6 0.15 . 1 . . . . . 137 SER CB . 50920 1 92 . 1 . 1 19 19 SER N N 15 115.0 0.15 . 1 . . . . . 137 SER N . 50920 1 93 . 1 . 1 20 20 HIS C C 13 174.9 0.15 . 1 . . . . . 138 HIS C . 50920 1 94 . 1 . 1 20 20 HIS CA C 13 55.5 0.15 . 1 . . . . . 138 HIS CA . 50920 1 95 . 1 . 1 20 20 HIS CB C 13 29.0 0.15 . 1 . . . . . 138 HIS CB . 50920 1 96 . 1 . 1 21 21 LEU H H 1 6.86 0.02 . 1 . . . . . 139 LEU H . 50920 1 97 . 1 . 1 21 21 LEU C C 13 177.5 0.15 . 1 . . . . . 139 LEU C . 50920 1 98 . 1 . 1 21 21 LEU CA C 13 54.7 0.15 . 1 . . . . . 139 LEU CA . 50920 1 99 . 1 . 1 21 21 LEU CB C 13 41.9 0.15 . 1 . . . . . 139 LEU CB . 50920 1 100 . 1 . 1 21 21 LEU N N 15 120.5 0.15 . 1 . . . . . 139 LEU N . 50920 1 101 . 1 . 1 22 22 ASP H H 1 9.26 0.02 . 1 . . . . . 140 ASP H . 50920 1 102 . 1 . 1 22 22 ASP C C 13 176.5 0.15 . 1 . . . . . 140 ASP C . 50920 1 103 . 1 . 1 22 22 ASP CA C 13 52.9 0.15 . 1 . . . . . 140 ASP CA . 50920 1 104 . 1 . 1 22 22 ASP CB C 13 40.7 0.15 . 1 . . . . . 140 ASP CB . 50920 1 105 . 1 . 1 22 22 ASP N N 15 124.0 0.15 . 1 . . . . . 140 ASP N . 50920 1 106 . 1 . 1 23 23 ASP H H 1 8.24 0.02 . 1 . . . . . 141 ASP H . 50920 1 107 . 1 . 1 23 23 ASP C C 13 179.0 0.15 . 1 . . . . . 141 ASP C . 50920 1 108 . 1 . 1 23 23 ASP CA C 13 58.2 0.15 . 1 . . . . . 141 ASP CA . 50920 1 109 . 1 . 1 23 23 ASP CB C 13 40.5 0.15 . 1 . . . . . 141 ASP CB . 50920 1 110 . 1 . 1 23 23 ASP N N 15 116.9 0.15 . 1 . . . . . 141 ASP N . 50920 1 111 . 1 . 1 24 24 ASN H H 1 8.14 0.02 . 1 . . . . . 142 ASN H . 50920 1 112 . 1 . 1 24 24 ASN C C 13 177.5 0.15 . 1 . . . . . 142 ASN C . 50920 1 113 . 1 . 1 24 24 ASN CA C 13 56.3 0.15 . 1 . . . . . 142 ASN CA . 50920 1 114 . 1 . 1 24 24 ASN CB C 13 38.0 0.15 . 1 . . . . . 142 ASN CB . 50920 1 115 . 1 . 1 24 24 ASN N N 15 119.3 0.15 . 1 . . . . . 142 ASN N . 50920 1 116 . 1 . 1 25 25 GLU H H 1 8.38 0.02 . 1 . . . . . 143 GLU H . 50920 1 117 . 1 . 1 25 25 GLU C C 13 178.9 0.15 . 1 . . . . . 143 GLU C . 50920 1 118 . 1 . 1 25 25 GLU CA C 13 59.1 0.15 . 1 . . . . . 143 GLU CA . 50920 1 119 . 1 . 1 25 25 GLU CB C 13 31.1 0.15 . 1 . . . . . 143 GLU CB . 50920 1 120 . 1 . 1 25 25 GLU N N 15 122.2 0.15 . 1 . . . . . 143 GLU N . 50920 1 121 . 1 . 1 26 26 ARG H H 1 8.45 0.02 . 1 . . . . . 144 ARG H . 50920 1 122 . 1 . 1 26 26 ARG C C 13 177.7 0.15 . 1 . . . . . 144 ARG C . 50920 1 123 . 1 . 1 26 26 ARG CA C 13 59.8 0.15 . 1 . . . . . 144 ARG CA . 50920 1 124 . 1 . 1 26 26 ARG CB C 13 30.0 0.15 . 1 . . . . . 144 ARG CB . 50920 1 125 . 1 . 1 26 26 ARG N N 15 117.9 0.15 . 1 . . . . . 144 ARG N . 50920 1 126 . 1 . 1 27 27 SER H H 1 7.46 0.02 . 1 . . . . . 145 SER H . 50920 1 127 . 1 . 1 27 27 SER C C 13 176.7 0.15 . 1 . . . . . 145 SER C . 50920 1 128 . 1 . 1 27 27 SER CA C 13 61.8 0.15 . 1 . . . . . 145 SER CA . 50920 1 129 . 1 . 1 27 27 SER CB C 13 62.7 0.15 . 1 . . . . . 145 SER CB . 50920 1 130 . 1 . 1 27 27 SER N N 15 113.2 0.15 . 1 . . . . . 145 SER N . 50920 1 131 . 1 . 1 28 28 ASP H H 1 7.65 0.02 . 1 . . . . . 146 ASP H . 50920 1 132 . 1 . 1 28 28 ASP C C 13 179.5 0.15 . 1 . . . . . 146 ASP C . 50920 1 133 . 1 . 1 28 28 ASP CA C 13 57.1 0.15 . 1 . . . . . 146 ASP CA . 50920 1 134 . 1 . 1 28 28 ASP CB C 13 40.4 0.15 . 1 . . . . . 146 ASP CB . 50920 1 135 . 1 . 1 28 28 ASP N N 15 120.6 0.15 . 1 . . . . . 146 ASP N . 50920 1 136 . 1 . 1 29 29 ILE H H 1 8.09 0.02 . 1 . . . . . 147 ILE H . 50920 1 137 . 1 . 1 29 29 ILE C C 13 177.2 0.15 . 1 . . . . . 147 ILE C . 50920 1 138 . 1 . 1 29 29 ILE CA C 13 62.9 0.15 . 1 . . . . . 147 ILE CA . 50920 1 139 . 1 . 1 29 29 ILE CB C 13 36.6 0.15 . 1 . . . . . 147 ILE CB . 50920 1 140 . 1 . 1 29 29 ILE N N 15 121.2 0.15 . 1 . . . . . 147 ILE N . 50920 1 141 . 1 . 1 30 30 PHE H H 1 7.87 0.02 . 1 . . . . . 148 PHE H . 50920 1 142 . 1 . 1 30 30 PHE C C 13 177.4 0.15 . 1 . . . . . 148 PHE C . 50920 1 143 . 1 . 1 30 30 PHE CA C 13 60.5 0.15 . 1 . . . . . 148 PHE CA . 50920 1 144 . 1 . 1 30 30 PHE CB C 13 38.2 0.15 . 1 . . . . . 148 PHE CB . 50920 1 145 . 1 . 1 30 30 PHE N N 15 121.1 0.15 . 1 . . . . . 148 PHE N . 50920 1 146 . 1 . 1 31 31 ASP H H 1 7.39 0.02 . 1 . . . . . 149 ASP H . 50920 1 147 . 1 . 1 31 31 ASP C C 13 177.0 0.15 . 1 . . . . . 149 ASP C . 50920 1 148 . 1 . 1 31 31 ASP CA C 13 56.2 0.15 . 1 . . . . . 149 ASP CA . 50920 1 149 . 1 . 1 31 31 ASP CB C 13 41.3 0.15 . 1 . . . . . 149 ASP CB . 50920 1 150 . 1 . 1 31 31 ASP N N 15 115.5 0.15 . 1 . . . . . 149 ASP N . 50920 1 151 . 1 . 1 32 32 ALA H H 1 7.45 0.02 . 1 . . . . . 150 ALA H . 50920 1 152 . 1 . 1 32 32 ALA C C 13 178.4 0.15 . 1 . . . . . 150 ALA C . 50920 1 153 . 1 . 1 32 32 ALA CA C 13 53.0 0.15 . 1 . . . . . 150 ALA CA . 50920 1 154 . 1 . 1 32 32 ALA CB C 13 20.6 0.15 . 1 . . . . . 150 ALA CB . 50920 1 155 . 1 . 1 32 32 ALA N N 15 120.5 0.15 . 1 . . . . . 150 ALA N . 50920 1 156 . 1 . 1 33 33 MET H H 1 7.41 0.02 . 1 . . . . . 151 MET H . 50920 1 157 . 1 . 1 33 33 MET C C 13 176.1 0.15 . 1 . . . . . 151 MET C . 50920 1 158 . 1 . 1 33 33 MET CA C 13 56.9 0.15 . 1 . . . . . 151 MET CA . 50920 1 159 . 1 . 1 33 33 MET CB C 13 35.5 0.15 . 1 . . . . . 151 MET CB . 50920 1 160 . 1 . 1 33 33 MET N N 15 118.4 0.15 . 1 . . . . . 151 MET N . 50920 1 161 . 1 . 1 34 34 PHE H H 1 8.53 0.02 . 1 . . . . . 152 PHE H . 50920 1 162 . 1 . 1 34 34 PHE C C 13 172.3 0.15 . 1 . . . . . 152 PHE C . 50920 1 163 . 1 . 1 34 34 PHE CA C 13 52.9 0.15 . 1 . . . . . 152 PHE CA . 50920 1 164 . 1 . 1 34 34 PHE CB C 13 39.6 0.15 . 1 . . . . . 152 PHE CB . 50920 1 165 . 1 . 1 34 34 PHE N N 15 117.7 0.15 . 1 . . . . . 152 PHE N . 50920 1 166 . 1 . 1 35 35 PRO C C 13 177.3 0.15 . 1 . . . . . 153 PRO C . 50920 1 167 . 1 . 1 35 35 PRO CA C 13 62.0 0.15 . 1 . . . . . 153 PRO CA . 50920 1 168 . 1 . 1 35 35 PRO CB C 13 31.3 0.15 . 1 . . . . . 153 PRO CB . 50920 1 169 . 1 . 1 36 36 VAL H H 1 8.20 0.02 . 1 . . . . . 154 VAL H . 50920 1 170 . 1 . 1 36 36 VAL C C 13 173.0 0.15 . 1 . . . . . 154 VAL C . 50920 1 171 . 1 . 1 36 36 VAL CA C 13 61.4 0.15 . 1 . . . . . 154 VAL CA . 50920 1 172 . 1 . 1 36 36 VAL CB C 13 35.0 0.15 . 1 . . . . . 154 VAL CB . 50920 1 173 . 1 . 1 36 36 VAL N N 15 119.4 0.15 . 1 . . . . . 154 VAL N . 50920 1 174 . 1 . 1 37 37 SER H H 1 7.92 0.02 . 1 . . . . . 155 SER H . 50920 1 175 . 1 . 1 37 37 SER C C 13 172.3 0.15 . 1 . . . . . 155 SER C . 50920 1 176 . 1 . 1 37 37 SER CA C 13 56.9 0.15 . 1 . . . . . 155 SER CA . 50920 1 177 . 1 . 1 37 37 SER CB C 13 65.7 0.15 . 1 . . . . . 155 SER CB . 50920 1 178 . 1 . 1 37 37 SER N N 15 120.5 0.15 . 1 . . . . . 155 SER N . 50920 1 179 . 1 . 1 38 38 PHE H H 1 8.01 0.02 . 1 . . . . . 156 PHE H . 50920 1 180 . 1 . 1 38 38 PHE C C 13 175.1 0.15 . 1 . . . . . 156 PHE C . 50920 1 181 . 1 . 1 38 38 PHE CA C 13 57.0 0.15 . 1 . . . . . 156 PHE CA . 50920 1 182 . 1 . 1 38 38 PHE CB C 13 43.0 0.15 . 1 . . . . . 156 PHE CB . 50920 1 183 . 1 . 1 38 38 PHE N N 15 117.3 0.15 . 1 . . . . . 156 PHE N . 50920 1 184 . 1 . 1 39 39 ILE H H 1 9.11 0.02 . 1 . . . . . 157 ILE H . 50920 1 185 . 1 . 1 39 39 ILE C C 13 175.1 0.15 . 1 . . . . . 157 ILE C . 50920 1 186 . 1 . 1 39 39 ILE CA C 13 59.5 0.15 . 1 . . . . . 157 ILE CA . 50920 1 187 . 1 . 1 39 39 ILE CB C 13 39.5 0.15 . 1 . . . . . 157 ILE CB . 50920 1 188 . 1 . 1 39 39 ILE N N 15 121.8 0.15 . 1 . . . . . 157 ILE N . 50920 1 189 . 1 . 1 40 40 ALA H H 1 7.72 0.02 . 1 . . . . . 158 ALA H . 50920 1 190 . 1 . 1 40 40 ALA C C 13 178.2 0.15 . 1 . . . . . 158 ALA C . 50920 1 191 . 1 . 1 40 40 ALA CA C 13 54.0 0.15 . 1 . . . . . 158 ALA CA . 50920 1 192 . 1 . 1 40 40 ALA CB C 13 18.5 0.15 . 1 . . . . . 158 ALA CB . 50920 1 193 . 1 . 1 40 40 ALA N N 15 123.3 0.15 . 1 . . . . . 158 ALA N . 50920 1 194 . 1 . 1 41 41 GLY H H 1 8.71 0.02 . 1 . . . . . 159 GLY H . 50920 1 195 . 1 . 1 41 41 GLY C C 13 175.2 0.15 . 1 . . . . . 159 GLY C . 50920 1 196 . 1 . 1 41 41 GLY CA C 13 44.7 0.15 . 1 . . . . . 159 GLY CA . 50920 1 197 . 1 . 1 41 41 GLY N N 15 111.6 0.15 . 1 . . . . . 159 GLY N . 50920 1 198 . 1 . 1 42 42 GLU H H 1 8.10 0.02 . 1 . . . . . 160 GLU H . 50920 1 199 . 1 . 1 42 42 GLU C C 13 176.3 0.15 . 1 . . . . . 160 GLU C . 50920 1 200 . 1 . 1 42 42 GLU CA C 13 57.9 0.15 . 1 . . . . . 160 GLU CA . 50920 1 201 . 1 . 1 42 42 GLU CB C 13 31.1 0.15 . 1 . . . . . 160 GLU CB . 50920 1 202 . 1 . 1 42 42 GLU N N 15 120.1 0.15 . 1 . . . . . 160 GLU N . 50920 1 203 . 1 . 1 43 43 THR H H 1 8.71 0.02 . 1 . . . . . 161 THR H . 50920 1 204 . 1 . 1 43 43 THR C C 13 173.1 0.15 . 1 . . . . . 161 THR C . 50920 1 205 . 1 . 1 43 43 THR CA C 13 64.3 0.15 . 1 . . . . . 161 THR CA . 50920 1 206 . 1 . 1 43 43 THR CB C 13 69.0 0.15 . 1 . . . . . 161 THR CB . 50920 1 207 . 1 . 1 43 43 THR N N 15 119.4 0.15 . 1 . . . . . 161 THR N . 50920 1 208 . 1 . 1 44 44 VAL H H 1 8.15 0.02 . 1 . . . . . 162 VAL H . 50920 1 209 . 1 . 1 44 44 VAL C C 13 175.2 0.15 . 1 . . . . . 162 VAL C . 50920 1 210 . 1 . 1 44 44 VAL CA C 13 63.8 0.15 . 1 . . . . . 162 VAL CA . 50920 1 211 . 1 . 1 44 44 VAL CB C 13 32.3 0.15 . 1 . . . . . 162 VAL CB . 50920 1 212 . 1 . 1 44 44 VAL N N 15 127.8 0.15 . 1 . . . . . 162 VAL N . 50920 1 213 . 1 . 1 45 45 ILE H H 1 7.27 0.02 . 1 . . . . . 163 ILE H . 50920 1 214 . 1 . 1 45 45 ILE C C 13 173.2 0.15 . 1 . . . . . 163 ILE C . 50920 1 215 . 1 . 1 45 45 ILE CA C 13 59.9 0.15 . 1 . . . . . 163 ILE CA . 50920 1 216 . 1 . 1 45 45 ILE CB C 13 43.6 0.15 . 1 . . . . . 163 ILE CB . 50920 1 217 . 1 . 1 45 45 ILE N N 15 117.0 0.15 . 1 . . . . . 163 ILE N . 50920 1 218 . 1 . 1 46 46 GLN H H 1 8.86 0.02 . 1 . . . . . 164 GLN H . 50920 1 219 . 1 . 1 46 46 GLN C C 13 174.3 0.15 . 1 . . . . . 164 GLN C . 50920 1 220 . 1 . 1 46 46 GLN CA C 13 53.5 0.15 . 1 . . . . . 164 GLN CA . 50920 1 221 . 1 . 1 46 46 GLN CB C 13 30.3 0.15 . 1 . . . . . 164 GLN CB . 50920 1 222 . 1 . 1 46 46 GLN N N 15 128.7 0.15 . 1 . . . . . 164 GLN N . 50920 1 223 . 1 . 1 47 47 GLN H H 1 8.41 0.02 . 1 . . . . . 165 GLN H . 50920 1 224 . 1 . 1 47 47 GLN C C 13 176.9 0.15 . 1 . . . . . 165 GLN C . 50920 1 225 . 1 . 1 47 47 GLN CA C 13 58.6 0.15 . 1 . . . . . 165 GLN CA . 50920 1 226 . 1 . 1 47 47 GLN CB C 13 26.9 0.15 . 1 . . . . . 165 GLN CB . 50920 1 227 . 1 . 1 47 47 GLN N N 15 128.7 0.15 . 1 . . . . . 165 GLN N . 50920 1 228 . 1 . 1 48 48 GLY H H 1 8.91 0.02 . 1 . . . . . 166 GLY H . 50920 1 229 . 1 . 1 48 48 GLY C C 13 174.3 0.15 . 1 . . . . . 166 GLY C . 50920 1 230 . 1 . 1 48 48 GLY CA C 13 45.0 0.15 . 1 . . . . . 166 GLY CA . 50920 1 231 . 1 . 1 48 48 GLY N N 15 114.6 0.15 . 1 . . . . . 166 GLY N . 50920 1 232 . 1 . 1 49 49 ASP H H 1 7.44 0.02 . 1 . . . . . 167 ASP H . 50920 1 233 . 1 . 1 49 49 ASP C C 13 176.2 0.15 . 1 . . . . . 167 ASP C . 50920 1 234 . 1 . 1 49 49 ASP CA C 13 54.2 0.15 . 1 . . . . . 167 ASP CA . 50920 1 235 . 1 . 1 49 49 ASP CB C 13 41.2 0.15 . 1 . . . . . 167 ASP CB . 50920 1 236 . 1 . 1 49 49 ASP N N 15 121.5 0.15 . 1 . . . . . 167 ASP N . 50920 1 237 . 1 . 1 50 50 GLU H H 1 8.53 0.02 . 1 . . . . . 168 GLU H . 50920 1 238 . 1 . 1 50 50 GLU C C 13 178.4 0.15 . 1 . . . . . 168 GLU C . 50920 1 239 . 1 . 1 50 50 GLU CA C 13 56.2 0.15 . 1 . . . . . 168 GLU CA . 50920 1 240 . 1 . 1 50 50 GLU CB C 13 30.0 0.15 . 1 . . . . . 168 GLU CB . 50920 1 241 . 1 . 1 50 50 GLU N N 15 119.5 0.15 . 1 . . . . . 168 GLU N . 50920 1 242 . 1 . 1 51 51 GLY H H 1 9.16 0.02 . 1 . . . . . 169 GLY H . 50920 1 243 . 1 . 1 51 51 GLY C C 13 171.5 0.15 . 1 . . . . . 169 GLY C . 50920 1 244 . 1 . 1 51 51 GLY CA C 13 46.0 0.15 . 1 . . . . . 169 GLY CA . 50920 1 245 . 1 . 1 51 51 GLY N N 15 110.7 0.15 . 1 . . . . . 169 GLY N . 50920 1 246 . 1 . 1 52 52 ASP H H 1 7.72 0.02 . 1 . . . . . 170 ASP H . 50920 1 247 . 1 . 1 52 52 ASP C C 13 173.7 0.15 . 1 . . . . . 170 ASP C . 50920 1 248 . 1 . 1 52 52 ASP CA C 13 55.7 0.15 . 1 . . . . . 170 ASP CA . 50920 1 249 . 1 . 1 52 52 ASP CB C 13 40.7 0.15 . 1 . . . . . 170 ASP CB . 50920 1 250 . 1 . 1 52 52 ASP N N 15 121.8 0.15 . 1 . . . . . 170 ASP N . 50920 1 251 . 1 . 1 53 53 ASN H H 1 9.36 0.02 . 1 . . . . . 171 ASN H . 50920 1 252 . 1 . 1 53 53 ASN C C 13 173.8 0.15 . 1 . . . . . 171 ASN C . 50920 1 253 . 1 . 1 53 53 ASN CA C 13 52.1 0.15 . 1 . . . . . 171 ASN CA . 50920 1 254 . 1 . 1 53 53 ASN CB C 13 42.0 0.15 . 1 . . . . . 171 ASN CB . 50920 1 255 . 1 . 1 53 53 ASN N N 15 118.4 0.15 . 1 . . . . . 171 ASN N . 50920 1 256 . 1 . 1 54 54 PHE H H 1 8.50 0.02 . 1 . . . . . 172 PHE H . 50920 1 257 . 1 . 1 54 54 PHE C C 13 172.7 0.15 . 1 . . . . . 172 PHE C . 50920 1 258 . 1 . 1 54 54 PHE CA C 13 55.1 0.15 . 1 . . . . . 172 PHE CA . 50920 1 259 . 1 . 1 54 54 PHE CB C 13 42.0 0.15 . 1 . . . . . 172 PHE CB . 50920 1 260 . 1 . 1 54 54 PHE N N 15 122.3 0.15 . 1 . . . . . 172 PHE N . 50920 1 261 . 1 . 1 55 55 TYR H H 1 7.04 0.02 . 1 . . . . . 173 TYR H . 50920 1 262 . 1 . 1 55 55 TYR C C 13 173.7 0.15 . 1 . . . . . 173 TYR C . 50920 1 263 . 1 . 1 55 55 TYR CA C 13 56.2 0.15 . 1 . . . . . 173 TYR CA . 50920 1 264 . 1 . 1 55 55 TYR CB C 13 42.3 0.15 . 1 . . . . . 173 TYR CB . 50920 1 265 . 1 . 1 55 55 TYR N N 15 119.8 0.15 . 1 . . . . . 173 TYR N . 50920 1 266 . 1 . 1 56 56 VAL H H 1 8.65 0.02 . 1 . . . . . 174 VAL H . 50920 1 267 . 1 . 1 56 56 VAL C C 13 175.9 0.15 . 1 . . . . . 174 VAL C . 50920 1 268 . 1 . 1 56 56 VAL CA C 13 60.0 0.15 . 1 . . . . . 174 VAL CA . 50920 1 269 . 1 . 1 56 56 VAL CB C 13 34.3 0.15 . 1 . . . . . 174 VAL CB . 50920 1 270 . 1 . 1 56 56 VAL N N 15 116.9 0.15 . 1 . . . . . 174 VAL N . 50920 1 271 . 1 . 1 57 57 ILE H H 1 8.38 0.02 . 1 . . . . . 175 ILE H . 50920 1 272 . 1 . 1 57 57 ILE C C 13 176.0 0.15 . 1 . . . . . 175 ILE C . 50920 1 273 . 1 . 1 57 57 ILE CA C 13 62.7 0.15 . 1 . . . . . 175 ILE CA . 50920 1 274 . 1 . 1 57 57 ILE CB C 13 38.0 0.15 . 1 . . . . . 175 ILE CB . 50920 1 275 . 1 . 1 57 57 ILE N N 15 124.6 0.15 . 1 . . . . . 175 ILE N . 50920 1 276 . 1 . 1 58 58 ASP H H 1 8.62 0.02 . 1 . . . . . 176 ASP H . 50920 1 277 . 1 . 1 58 58 ASP C C 13 175.2 0.15 . 1 . . . . . 176 ASP C . 50920 1 278 . 1 . 1 58 58 ASP CA C 13 56.0 0.15 . 1 . . . . . 176 ASP CA . 50920 1 279 . 1 . 1 58 58 ASP CB C 13 43.8 0.15 . 1 . . . . . 176 ASP CB . 50920 1 280 . 1 . 1 58 58 ASP N N 15 132.3 0.15 . 1 . . . . . 176 ASP N . 50920 1 281 . 1 . 1 59 59 GLN H H 1 7.84 0.02 . 1 . . . . . 177 GLN H . 50920 1 282 . 1 . 1 59 59 GLN C C 13 174.5 0.15 . 1 . . . . . 177 GLN C . 50920 1 283 . 1 . 1 59 59 GLN CA C 13 55.1 0.15 . 1 . . . . . 177 GLN CA . 50920 1 284 . 1 . 1 59 59 GLN CB C 13 33.5 0.15 . 1 . . . . . 177 GLN CB . 50920 1 285 . 1 . 1 59 59 GLN N N 15 114.6 0.15 . 1 . . . . . 177 GLN N . 50920 1 286 . 1 . 1 60 60 GLY H H 1 8.83 0.02 . 1 . . . . . 178 GLY H . 50920 1 287 . 1 . 1 60 60 GLY C C 13 170.8 0.15 . 1 . . . . . 178 GLY C . 50920 1 288 . 1 . 1 60 60 GLY CA C 13 44.2 0.15 . 1 . . . . . 178 GLY CA . 50920 1 289 . 1 . 1 60 60 GLY N N 15 112.0 0.15 . 1 . . . . . 178 GLY N . 50920 1 290 . 1 . 1 61 61 GLU H H 1 7.12 0.02 . 1 . . . . . 179 GLU H . 50920 1 291 . 1 . 1 61 61 GLU C C 13 174.9 0.15 . 1 . . . . . 179 GLU C . 50920 1 292 . 1 . 1 61 61 GLU CA C 13 54.7 0.15 . 1 . . . . . 179 GLU CA . 50920 1 293 . 1 . 1 61 61 GLU CB C 13 35.0 0.15 . 1 . . . . . 179 GLU CB . 50920 1 294 . 1 . 1 61 61 GLU N N 15 113.3 0.15 . 1 . . . . . 179 GLU N . 50920 1 295 . 1 . 1 62 62 MET H H 1 8.87 0.02 . 1 . . . . . 180 MET H . 50920 1 296 . 1 . 1 62 62 MET C C 13 175.9 0.15 . 1 . . . . . 180 MET C . 50920 1 297 . 1 . 1 62 62 MET CA C 13 52.3 0.15 . 1 . . . . . 180 MET CA . 50920 1 298 . 1 . 1 62 62 MET CB C 13 32.8 0.15 . 1 . . . . . 180 MET CB . 50920 1 299 . 1 . 1 62 62 MET N N 15 117.6 0.15 . 1 . . . . . 180 MET N . 50920 1 300 . 1 . 1 63 63 ASP H H 1 8.96 0.02 . 1 . . . . . 181 ASP H . 50920 1 301 . 1 . 1 63 63 ASP C C 13 174.0 0.15 . 1 . . . . . 181 ASP C . 50920 1 302 . 1 . 1 63 63 ASP CA C 13 54.4 0.15 . 1 . . . . . 181 ASP CA . 50920 1 303 . 1 . 1 63 63 ASP CB C 13 46.1 0.15 . 1 . . . . . 181 ASP CB . 50920 1 304 . 1 . 1 63 63 ASP N N 15 120.9 0.15 . 1 . . . . . 181 ASP N . 50920 1 305 . 1 . 1 64 64 VAL H H 1 8.08 0.02 . 1 . . . . . 182 VAL H . 50920 1 306 . 1 . 1 64 64 VAL C C 13 173.8 0.15 . 1 . . . . . 182 VAL C . 50920 1 307 . 1 . 1 64 64 VAL CA C 13 60.6 0.15 . 1 . . . . . 182 VAL CA . 50920 1 308 . 1 . 1 64 64 VAL CB C 13 32.2 0.15 . 1 . . . . . 182 VAL CB . 50920 1 309 . 1 . 1 64 64 VAL N N 15 120.4 0.15 . 1 . . . . . 182 VAL N . 50920 1 310 . 1 . 1 65 65 TYR H H 1 9.24 0.02 . 1 . . . . . 183 TYR H . 50920 1 311 . 1 . 1 65 65 TYR C C 13 174.4 0.15 . 1 . . . . . 183 TYR C . 50920 1 312 . 1 . 1 65 65 TYR CA C 13 56.2 0.15 . 1 . . . . . 183 TYR CA . 50920 1 313 . 1 . 1 65 65 TYR CB C 13 41.5 0.15 . 1 . . . . . 183 TYR CB . 50920 1 314 . 1 . 1 65 65 TYR N N 15 125.5 0.15 . 1 . . . . . 183 TYR N . 50920 1 315 . 1 . 1 66 66 VAL H H 1 8.47 0.02 . 1 . . . . . 184 VAL H . 50920 1 316 . 1 . 1 66 66 VAL C C 13 177.2 0.15 . 1 . . . . . 184 VAL C . 50920 1 317 . 1 . 1 66 66 VAL CA C 13 61.5 0.15 . 1 . . . . . 184 VAL CA . 50920 1 318 . 1 . 1 66 66 VAL CB C 13 33.1 0.15 . 1 . . . . . 184 VAL CB . 50920 1 319 . 1 . 1 66 66 VAL N N 15 122.2 0.15 . 1 . . . . . 184 VAL N . 50920 1 320 . 1 . 1 67 67 ASN H H 1 10.03 0.02 . 1 . . . . . 185 ASN H . 50920 1 321 . 1 . 1 67 67 ASN C C 13 175.2 0.15 . 1 . . . . . 185 ASN C . 50920 1 322 . 1 . 1 67 67 ASN CA C 13 54.5 0.15 . 1 . . . . . 185 ASN CA . 50920 1 323 . 1 . 1 67 67 ASN CB C 13 36.3 0.15 . 1 . . . . . 185 ASN CB . 50920 1 324 . 1 . 1 67 67 ASN N N 15 129.6 0.15 . 1 . . . . . 185 ASN N . 50920 1 325 . 1 . 1 68 68 ASN H H 1 8.81 0.02 . 1 . . . . . 186 ASN H . 50920 1 326 . 1 . 1 68 68 ASN C C 13 173.8 0.15 . 1 . . . . . 186 ASN C . 50920 1 327 . 1 . 1 68 68 ASN CA C 13 55.1 0.15 . 1 . . . . . 186 ASN CA . 50920 1 328 . 1 . 1 68 68 ASN CB C 13 38.0 0.15 . 1 . . . . . 186 ASN CB . 50920 1 329 . 1 . 1 68 68 ASN N N 15 108.2 0.15 . 1 . . . . . 186 ASN N . 50920 1 330 . 1 . 1 69 69 GLU H H 1 7.62 0.02 . 1 . . . . . 187 GLU H . 50920 1 331 . 1 . 1 69 69 GLU C C 13 175.8 0.15 . 1 . . . . . 187 GLU C . 50920 1 332 . 1 . 1 69 69 GLU CA C 13 54.9 0.15 . 1 . . . . . 187 GLU CA . 50920 1 333 . 1 . 1 69 69 GLU CB C 13 31.5 0.15 . 1 . . . . . 187 GLU CB . 50920 1 334 . 1 . 1 69 69 GLU N N 15 119.8 0.15 . 1 . . . . . 187 GLU N . 50920 1 335 . 1 . 1 70 70 TRP H H 1 9.07 0.02 . 1 . . . . . 188 TRP H . 50920 1 336 . 1 . 1 70 70 TRP C C 13 175.4 0.15 . 1 . . . . . 188 TRP C . 50920 1 337 . 1 . 1 70 70 TRP CA C 13 61.6 0.15 . 1 . . . . . 188 TRP CA . 50920 1 338 . 1 . 1 70 70 TRP CB C 13 28.2 0.15 . 1 . . . . . 188 TRP CB . 50920 1 339 . 1 . 1 70 70 TRP N N 15 128.0 0.15 . 1 . . . . . 188 TRP N . 50920 1 340 . 1 . 1 71 71 ALA H H 1 8.48 0.02 . 1 . . . . . 189 ALA H . 50920 1 341 . 1 . 1 71 71 ALA C C 13 175.7 0.15 . 1 . . . . . 189 ALA C . 50920 1 342 . 1 . 1 71 71 ALA CA C 13 52.8 0.15 . 1 . . . . . 189 ALA CA . 50920 1 343 . 1 . 1 71 71 ALA CB C 13 21.0 0.15 . 1 . . . . . 189 ALA CB . 50920 1 344 . 1 . 1 71 71 ALA N N 15 130.3 0.15 . 1 . . . . . 189 ALA N . 50920 1 345 . 1 . 1 72 72 THR C C 13 171.0 0.15 . 1 . . . . . 190 THR C . 50920 1 346 . 1 . 1 72 72 THR CA C 13 61.1 0.15 . 1 . . . . . 190 THR CA . 50920 1 347 . 1 . 1 72 72 THR CB C 13 67.4 0.15 . 1 . . . . . 190 THR CB . 50920 1 348 . 1 . 1 72 72 THR N N 15 108.5 0.15 . 1 . . . . . 190 THR N . 50920 1 349 . 1 . 1 73 73 SER H H 1 8.07 0.02 . 1 . . . . . 191 SER H . 50920 1 350 . 1 . 1 73 73 SER C C 13 173.4 0.15 . 1 . . . . . 191 SER C . 50920 1 351 . 1 . 1 73 73 SER CA C 13 57.1 0.15 . 1 . . . . . 191 SER CA . 50920 1 352 . 1 . 1 73 73 SER CB C 13 66.7 0.15 . 1 . . . . . 191 SER CB . 50920 1 353 . 1 . 1 73 73 SER N N 15 115.8 0.15 . 1 . . . . . 191 SER N . 50920 1 354 . 1 . 1 74 74 VAL H H 1 8.53 0.02 . 1 . . . . . 192 VAL H . 50920 1 355 . 1 . 1 74 74 VAL C C 13 174.8 0.15 . 1 . . . . . 192 VAL C . 50920 1 356 . 1 . 1 74 74 VAL CA C 13 61.2 0.15 . 1 . . . . . 192 VAL CA . 50920 1 357 . 1 . 1 74 74 VAL CB C 13 34.6 0.15 . 1 . . . . . 192 VAL CB . 50920 1 358 . 1 . 1 74 74 VAL N N 15 121.9 0.15 . 1 . . . . . 192 VAL N . 50920 1 359 . 1 . 1 75 75 GLY H H 1 8.37 0.02 . 1 . . . . . 193 GLY H . 50920 1 360 . 1 . 1 75 75 GLY C C 13 173.1 0.15 . 1 . . . . . 193 GLY C . 50920 1 361 . 1 . 1 75 75 GLY CA C 13 43.9 0.15 . 1 . . . . . 193 GLY CA . 50920 1 362 . 1 . 1 75 75 GLY N N 15 114.3 0.15 . 1 . . . . . 193 GLY N . 50920 1 363 . 1 . 1 76 76 GLU H H 1 8.05 0.02 . 1 . . . . . 194 GLU H . 50920 1 364 . 1 . 1 76 76 GLU C C 13 177.4 0.15 . 1 . . . . . 194 GLU C . 50920 1 365 . 1 . 1 76 76 GLU CA C 13 58.7 0.15 . 1 . . . . . 194 GLU CA . 50920 1 366 . 1 . 1 76 76 GLU CB C 13 29.6 0.15 . 1 . . . . . 194 GLU CB . 50920 1 367 . 1 . 1 76 76 GLU N N 15 119.1 0.15 . 1 . . . . . 194 GLU N . 50920 1 368 . 1 . 1 77 77 GLY H H 1 8.19 0.02 . 1 . . . . . 195 GLY H . 50920 1 369 . 1 . 1 77 77 GLY C C 13 175.0 0.15 . 1 . . . . . 195 GLY C . 50920 1 370 . 1 . 1 77 77 GLY CA C 13 45.1 0.15 . 1 . . . . . 195 GLY CA . 50920 1 371 . 1 . 1 77 77 GLY N N 15 113.1 0.15 . 1 . . . . . 195 GLY N . 50920 1 372 . 1 . 1 78 78 GLY H H 1 8.75 0.02 . 1 . . . . . 196 GLY H . 50920 1 373 . 1 . 1 78 78 GLY C C 13 171.0 0.15 . 1 . . . . . 196 GLY C . 50920 1 374 . 1 . 1 78 78 GLY CA C 13 44.0 0.15 . 1 . . . . . 196 GLY CA . 50920 1 375 . 1 . 1 78 78 GLY N N 15 108.2 0.15 . 1 . . . . . 196 GLY N . 50920 1 376 . 1 . 1 79 79 SER H H 1 8.50 0.02 . 1 . . . . . 197 SER H . 50920 1 377 . 1 . 1 79 79 SER C C 13 173.1 0.15 . 1 . . . . . 197 SER C . 50920 1 378 . 1 . 1 79 79 SER CA C 13 57.4 0.15 . 1 . . . . . 197 SER CA . 50920 1 379 . 1 . 1 79 79 SER CB C 13 67.2 0.15 . 1 . . . . . 197 SER CB . 50920 1 380 . 1 . 1 79 79 SER N N 15 111.3 0.15 . 1 . . . . . 197 SER N . 50920 1 381 . 1 . 1 80 80 PHE H H 1 8.19 0.02 . 1 . . . . . 198 PHE H . 50920 1 382 . 1 . 1 80 80 PHE C C 13 172.5 0.15 . 1 . . . . . 198 PHE C . 50920 1 383 . 1 . 1 80 80 PHE CA C 13 57.4 0.15 . 1 . . . . . 198 PHE CA . 50920 1 384 . 1 . 1 80 80 PHE CB C 13 39.8 0.15 . 1 . . . . . 198 PHE CB . 50920 1 385 . 1 . 1 80 80 PHE N N 15 110.6 0.15 . 1 . . . . . 198 PHE N . 50920 1 386 . 1 . 1 81 81 GLY H H 1 9.13 0.02 . 1 . . . . . 199 GLY H . 50920 1 387 . 1 . 1 81 81 GLY C C 13 173.5 0.15 . 1 . . . . . 199 GLY C . 50920 1 388 . 1 . 1 81 81 GLY CA C 13 45.2 0.15 . 1 . . . . . 199 GLY CA . 50920 1 389 . 1 . 1 81 81 GLY N N 15 105.4 0.15 . 1 . . . . . 199 GLY N . 50920 1 390 . 1 . 1 82 82 GLU H H 1 10.67 0.02 . 1 . . . . . 200 GLU H . 50920 1 391 . 1 . 1 82 82 GLU C C 13 177.7 0.15 . 1 . . . . . 200 GLU C . 50920 1 392 . 1 . 1 82 82 GLU CA C 13 56.9 0.15 . 1 . . . . . 200 GLU CA . 50920 1 393 . 1 . 1 82 82 GLU CB C 13 28.3 0.15 . 1 . . . . . 200 GLU CB . 50920 1 394 . 1 . 1 82 82 GLU N N 15 120.4 0.15 . 1 . . . . . 200 GLU N . 50920 1 395 . 1 . 1 83 83 LEU H H 1 7.11 0.02 . 1 . . . . . 201 LEU H . 50920 1 396 . 1 . 1 83 83 LEU C C 13 178.9 0.15 . 1 . . . . . 201 LEU C . 50920 1 397 . 1 . 1 83 83 LEU CA C 13 59.1 0.15 . 1 . . . . . 201 LEU CA . 50920 1 398 . 1 . 1 83 83 LEU CB C 13 40.3 0.15 . 1 . . . . . 201 LEU CB . 50920 1 399 . 1 . 1 83 83 LEU N N 15 120.2 0.15 . 1 . . . . . 201 LEU N . 50920 1 400 . 1 . 1 84 84 ALA H H 1 9.15 0.02 . 1 . . . . . 202 ALA H . 50920 1 401 . 1 . 1 84 84 ALA C C 13 180.6 0.15 . 1 . . . . . 202 ALA C . 50920 1 402 . 1 . 1 84 84 ALA CA C 13 55.0 0.15 . 1 . . . . . 202 ALA CA . 50920 1 403 . 1 . 1 84 84 ALA CB C 13 20.6 0.15 . 1 . . . . . 202 ALA CB . 50920 1 404 . 1 . 1 84 84 ALA N N 15 120.3 0.15 . 1 . . . . . 202 ALA N . 50920 1 405 . 1 . 1 85 85 LEU H H 1 6.40 0.02 . 1 . . . . . 203 LEU H . 50920 1 406 . 1 . 1 85 85 LEU C C 13 178.5 0.15 . 1 . . . . . 203 LEU C . 50920 1 407 . 1 . 1 85 85 LEU CA C 13 56.7 0.15 . 1 . . . . . 203 LEU CA . 50920 1 408 . 1 . 1 85 85 LEU CB C 13 40.7 0.15 . 1 . . . . . 203 LEU CB . 50920 1 409 . 1 . 1 85 85 LEU N N 15 114.9 0.15 . 1 . . . . . 203 LEU N . 50920 1 410 . 1 . 1 86 86 ILE H H 1 7.76 0.02 . 1 . . . . . 204 ILE H . 50920 1 411 . 1 . 1 86 86 ILE C C 13 177.8 0.15 . 1 . . . . . 204 ILE C . 50920 1 412 . 1 . 1 86 86 ILE CA C 13 64.8 0.15 . 1 . . . . . 204 ILE CA . 50920 1 413 . 1 . 1 86 86 ILE CB C 13 40.3 0.15 . 1 . . . . . 204 ILE CB . 50920 1 414 . 1 . 1 86 86 ILE N N 15 118.9 0.15 . 1 . . . . . 204 ILE N . 50920 1 415 . 1 . 1 87 87 TYR H H 1 7.91 0.02 . 1 . . . . . 205 TYR H . 50920 1 416 . 1 . 1 87 87 TYR C C 13 177.3 0.15 . 1 . . . . . 205 TYR C . 50920 1 417 . 1 . 1 87 87 TYR CA C 13 59.7 0.15 . 1 . . . . . 205 TYR CA . 50920 1 418 . 1 . 1 87 87 TYR CB C 13 39.4 0.15 . 1 . . . . . 205 TYR CB . 50920 1 419 . 1 . 1 87 87 TYR N N 15 113.5 0.15 . 1 . . . . . 205 TYR N . 50920 1 420 . 1 . 1 88 88 GLY H H 1 7.78 0.02 . 1 . . . . . 206 GLY H . 50920 1 421 . 1 . 1 88 88 GLY C C 13 174.0 0.15 . 1 . . . . . 206 GLY C . 50920 1 422 . 1 . 1 88 88 GLY CA C 13 46.5 0.15 . 1 . . . . . 206 GLY CA . 50920 1 423 . 1 . 1 88 88 GLY N N 15 109.6 0.15 . 1 . . . . . 206 GLY N . 50920 1 424 . 1 . 1 89 89 THR H H 1 7.21 0.02 . 1 . . . . . 207 THR H . 50920 1 425 . 1 . 1 89 89 THR C C 13 172.8 0.15 . 1 . . . . . 207 THR C . 50920 1 426 . 1 . 1 89 89 THR CA C 13 58.4 0.15 . 1 . . . . . 207 THR CA . 50920 1 427 . 1 . 1 89 89 THR CB C 13 68.6 0.15 . 1 . . . . . 207 THR CB . 50920 1 428 . 1 . 1 89 89 THR N N 15 109.5 0.15 . 1 . . . . . 207 THR N . 50920 1 429 . 1 . 1 90 90 PRO C C 13 178.3 0.15 . 1 . . . . . 208 PRO C . 50920 1 430 . 1 . 1 90 90 PRO CA C 13 62.1 0.15 . 1 . . . . . 208 PRO CA . 50920 1 431 . 1 . 1 90 90 PRO CB C 13 31.5 0.15 . 1 . . . . . 208 PRO CB . 50920 1 432 . 1 . 1 91 91 ARG H H 1 9.35 0.02 . 1 . . . . . 209 ARG H . 50920 1 433 . 1 . 1 91 91 ARG C C 13 178.7 0.15 . 1 . . . . . 209 ARG C . 50920 1 434 . 1 . 1 91 91 ARG CA C 13 55.6 0.15 . 1 . . . . . 209 ARG CA . 50920 1 435 . 1 . 1 91 91 ARG CB C 13 31.8 0.15 . 1 . . . . . 209 ARG CB . 50920 1 436 . 1 . 1 91 91 ARG N N 15 119.6 0.15 . 1 . . . . . 209 ARG N . 50920 1 437 . 1 . 1 92 92 ALA H H 1 9.78 0.02 . 1 . . . . . 210 ALA H . 50920 1 438 . 1 . 1 92 92 ALA C C 13 174.1 0.15 . 1 . . . . . 210 ALA C . 50920 1 439 . 1 . 1 92 92 ALA CA C 13 52.9 0.15 . 1 . . . . . 210 ALA CA . 50920 1 440 . 1 . 1 92 92 ALA CB C 13 19.8 0.15 . 1 . . . . . 210 ALA CB . 50920 1 441 . 1 . 1 92 92 ALA N N 15 128.2 0.15 . 1 . . . . . 210 ALA N . 50920 1 442 . 1 . 1 93 93 ALA H H 1 7.00 0.02 . 1 . . . . . 211 ALA H . 50920 1 443 . 1 . 1 93 93 ALA C C 13 174.8 0.15 . 1 . . . . . 211 ALA C . 50920 1 444 . 1 . 1 93 93 ALA CA C 13 50.4 0.15 . 1 . . . . . 211 ALA CA . 50920 1 445 . 1 . 1 93 93 ALA CB C 13 21.9 0.15 . 1 . . . . . 211 ALA CB . 50920 1 446 . 1 . 1 93 93 ALA N N 15 114.9 0.15 . 1 . . . . . 211 ALA N . 50920 1 447 . 1 . 1 94 94 THR H H 1 8.83 0.02 . 1 . . . . . 212 THR H . 50920 1 448 . 1 . 1 94 94 THR C C 13 173.9 0.15 . 1 . . . . . 212 THR C . 50920 1 449 . 1 . 1 94 94 THR CA C 13 60.5 0.15 . 1 . . . . . 212 THR CA . 50920 1 450 . 1 . 1 94 94 THR CB C 13 71.3 0.15 . 1 . . . . . 212 THR CB . 50920 1 451 . 1 . 1 94 94 THR N N 15 116.9 0.15 . 1 . . . . . 212 THR N . 50920 1 452 . 1 . 1 95 95 VAL H H 1 9.20 0.02 . 1 . . . . . 213 VAL H . 50920 1 453 . 1 . 1 95 95 VAL C C 13 175.0 0.15 . 1 . . . . . 213 VAL C . 50920 1 454 . 1 . 1 95 95 VAL CA C 13 60.9 0.15 . 1 . . . . . 213 VAL CA . 50920 1 455 . 1 . 1 95 95 VAL CB C 13 32.8 0.15 . 1 . . . . . 213 VAL CB . 50920 1 456 . 1 . 1 95 95 VAL N N 15 126.8 0.15 . 1 . . . . . 213 VAL N . 50920 1 457 . 1 . 1 96 96 LYS H H 1 9.15 0.02 . 1 . . . . . 214 LYS H . 50920 1 458 . 1 . 1 96 96 LYS C C 13 175.2 0.15 . 1 . . . . . 214 LYS C . 50920 1 459 . 1 . 1 96 96 LYS CA C 13 54.3 0.15 . 1 . . . . . 214 LYS CA . 50920 1 460 . 1 . 1 96 96 LYS CB C 13 36.4 0.15 . 1 . . . . . 214 LYS CB . 50920 1 461 . 1 . 1 96 96 LYS N N 15 126.7 0.15 . 1 . . . . . 214 LYS N . 50920 1 462 . 1 . 1 97 97 ALA H H 1 8.56 0.02 . 1 . . . . . 215 ALA H . 50920 1 463 . 1 . 1 97 97 ALA C C 13 177.5 0.15 . 1 . . . . . 215 ALA C . 50920 1 464 . 1 . 1 97 97 ALA CA C 13 53.1 0.15 . 1 . . . . . 215 ALA CA . 50920 1 465 . 1 . 1 97 97 ALA CB C 13 17.7 0.15 . 1 . . . . . 215 ALA CB . 50920 1 466 . 1 . 1 97 97 ALA N N 15 126.7 0.15 . 1 . . . . . 215 ALA N . 50920 1 467 . 1 . 1 98 98 LYS H H 1 9.16 0.02 . 1 . . . . . 216 LYS H . 50920 1 468 . 1 . 1 98 98 LYS C C 13 177.2 0.15 . 1 . . . . . 216 LYS C . 50920 1 469 . 1 . 1 98 98 LYS CA C 13 58.5 0.15 . 1 . . . . . 216 LYS CA . 50920 1 470 . 1 . 1 98 98 LYS CB C 13 33.3 0.15 . 1 . . . . . 216 LYS CB . 50920 1 471 . 1 . 1 98 98 LYS N N 15 131.6 0.15 . 1 . . . . . 216 LYS N . 50920 1 472 . 1 . 1 99 99 THR H H 1 7.12 0.02 . 1 . . . . . 217 THR H . 50920 1 473 . 1 . 1 99 99 THR C C 13 173.9 0.15 . 1 . . . . . 217 THR C . 50920 1 474 . 1 . 1 99 99 THR CA C 13 59.6 0.15 . 1 . . . . . 217 THR CA . 50920 1 475 . 1 . 1 99 99 THR CB C 13 72.3 0.15 . 1 . . . . . 217 THR CB . 50920 1 476 . 1 . 1 99 99 THR N N 15 108.5 0.15 . 1 . . . . . 217 THR N . 50920 1 477 . 1 . 1 100 100 ASN H H 1 8.33 0.02 . 1 . . . . . 218 ASN H . 50920 1 478 . 1 . 1 100 100 ASN C C 13 178.5 0.15 . 1 . . . . . 218 ASN C . 50920 1 479 . 1 . 1 100 100 ASN CA C 13 54.8 0.15 . 1 . . . . . 218 ASN CA . 50920 1 480 . 1 . 1 100 100 ASN CB C 13 36.7 0.15 . 1 . . . . . 218 ASN CB . 50920 1 481 . 1 . 1 100 100 ASN N N 15 116.9 0.15 . 1 . . . . . 218 ASN N . 50920 1 482 . 1 . 1 101 101 VAL H H 1 8.88 0.02 . 1 . . . . . 219 VAL H . 50920 1 483 . 1 . 1 101 101 VAL C C 13 175.3 0.15 . 1 . . . . . 219 VAL C . 50920 1 484 . 1 . 1 101 101 VAL CA C 13 59.7 0.15 . 1 . . . . . 219 VAL CA . 50920 1 485 . 1 . 1 101 101 VAL CB C 13 36.6 0.15 . 1 . . . . . 219 VAL CB . 50920 1 486 . 1 . 1 101 101 VAL N N 15 119.6 0.15 . 1 . . . . . 219 VAL N . 50920 1 487 . 1 . 1 102 102 LYS H H 1 8.48 0.02 . 1 . . . . . 220 LYS H . 50920 1 488 . 1 . 1 102 102 LYS C C 13 174.7 0.15 . 1 . . . . . 220 LYS C . 50920 1 489 . 1 . 1 102 102 LYS CA C 13 56.0 0.15 . 1 . . . . . 220 LYS CA . 50920 1 490 . 1 . 1 102 102 LYS CB C 13 34.4 0.15 . 1 . . . . . 220 LYS CB . 50920 1 491 . 1 . 1 102 102 LYS N N 15 122.7 0.15 . 1 . . . . . 220 LYS N . 50920 1 492 . 1 . 1 103 103 LEU H H 1 8.92 0.02 . 1 . . . . . 221 LEU H . 50920 1 493 . 1 . 1 103 103 LEU C C 13 175.8 0.15 . 1 . . . . . 221 LEU C . 50920 1 494 . 1 . 1 103 103 LEU CA C 13 52.3 0.15 . 1 . . . . . 221 LEU CA . 50920 1 495 . 1 . 1 103 103 LEU CB C 13 45.2 0.15 . 1 . . . . . 221 LEU CB . 50920 1 496 . 1 . 1 103 103 LEU N N 15 123.4 0.15 . 1 . . . . . 221 LEU N . 50920 1 497 . 1 . 1 104 104 TRP H H 1 8.81 0.02 . 1 . . . . . 222 TRP H . 50920 1 498 . 1 . 1 104 104 TRP C C 13 175.6 0.15 . 1 . . . . . 222 TRP C . 50920 1 499 . 1 . 1 104 104 TRP CA C 13 55.4 0.15 . 1 . . . . . 222 TRP CA . 50920 1 500 . 1 . 1 104 104 TRP CB C 13 31.3 0.15 . 1 . . . . . 222 TRP CB . 50920 1 501 . 1 . 1 104 104 TRP N N 15 120.3 0.15 . 1 . . . . . 222 TRP N . 50920 1 502 . 1 . 1 105 105 GLY H H 1 9.16 0.02 . 1 . . . . . 223 GLY H . 50920 1 503 . 1 . 1 105 105 GLY C C 13 172.0 0.15 . 1 . . . . . 223 GLY C . 50920 1 504 . 1 . 1 105 105 GLY CA C 13 43.2 0.15 . 1 . . . . . 223 GLY CA . 50920 1 505 . 1 . 1 105 105 GLY N N 15 110.5 0.15 . 1 . . . . . 223 GLY N . 50920 1 506 . 1 . 1 106 106 ILE H H 1 8.15 0.02 . 1 . . . . . 224 ILE H . 50920 1 507 . 1 . 1 106 106 ILE C C 13 173.9 0.15 . 1 . . . . . 224 ILE C . 50920 1 508 . 1 . 1 106 106 ILE CA C 13 60.9 0.15 . 1 . . . . . 224 ILE CA . 50920 1 509 . 1 . 1 106 106 ILE CB C 13 41.9 0.15 . 1 . . . . . 224 ILE CB . 50920 1 510 . 1 . 1 106 106 ILE N N 15 116.2 0.15 . 1 . . . . . 224 ILE N . 50920 1 511 . 1 . 1 107 107 ASP H H 1 8.37 0.02 . 1 . . . . . 225 ASP H . 50920 1 512 . 1 . 1 107 107 ASP C C 13 175.4 0.15 . 1 . . . . . 225 ASP C . 50920 1 513 . 1 . 1 107 107 ASP CA C 13 54.6 0.15 . 1 . . . . . 225 ASP CA . 50920 1 514 . 1 . 1 107 107 ASP CB C 13 42.4 0.15 . 1 . . . . . 225 ASP CB . 50920 1 515 . 1 . 1 107 107 ASP N N 15 124.7 0.15 . 1 . . . . . 225 ASP N . 50920 1 516 . 1 . 1 108 108 ARG H H 1 7.75 0.02 . 1 . . . . . 226 ARG H . 50920 1 517 . 1 . 1 108 108 ARG C C 13 177.1 0.15 . 1 . . . . . 226 ARG C . 50920 1 518 . 1 . 1 108 108 ARG CA C 13 60.4 0.15 . 1 . . . . . 226 ARG CA . 50920 1 519 . 1 . 1 108 108 ARG CB C 13 30.6 0.15 . 1 . . . . . 226 ARG CB . 50920 1 520 . 1 . 1 108 108 ARG N N 15 118.9 0.15 . 1 . . . . . 226 ARG N . 50920 1 521 . 1 . 1 109 109 ASP H H 1 8.36 0.02 . 1 . . . . . 227 ASP H . 50920 1 522 . 1 . 1 109 109 ASP C C 13 179.7 0.15 . 1 . . . . . 227 ASP C . 50920 1 523 . 1 . 1 109 109 ASP CA C 13 58.2 0.15 . 1 . . . . . 227 ASP CA . 50920 1 524 . 1 . 1 109 109 ASP CB C 13 40.3 0.15 . 1 . . . . . 227 ASP CB . 50920 1 525 . 1 . 1 109 109 ASP N N 15 119.4 0.15 . 1 . . . . . 227 ASP N . 50920 1 526 . 1 . 1 110 110 SER H H 1 8.39 0.02 . 1 . . . . . 228 SER H . 50920 1 527 . 1 . 1 110 110 SER C C 13 175.7 0.15 . 1 . . . . . 228 SER C . 50920 1 528 . 1 . 1 110 110 SER CA C 13 62.5 0.15 . 1 . . . . . 228 SER CA . 50920 1 529 . 1 . 1 110 110 SER CB C 13 61.5 0.15 . 1 . . . . . 228 SER CB . 50920 1 530 . 1 . 1 110 110 SER N N 15 119.8 0.15 . 1 . . . . . 228 SER N . 50920 1 531 . 1 . 1 111 111 TYR H H 1 8.92 0.02 . 1 . . . . . 229 TYR H . 50920 1 532 . 1 . 1 111 111 TYR C C 13 178.4 0.15 . 1 . . . . . 229 TYR C . 50920 1 533 . 1 . 1 111 111 TYR CA C 13 63.7 0.15 . 1 . . . . . 229 TYR CA . 50920 1 534 . 1 . 1 111 111 TYR CB C 13 38.9 0.15 . 1 . . . . . 229 TYR CB . 50920 1 535 . 1 . 1 111 111 TYR N N 15 122.2 0.15 . 1 . . . . . 229 TYR N . 50920 1 536 . 1 . 1 112 112 ARG H H 1 8.54 0.02 . 1 . . . . . 230 ARG H . 50920 1 537 . 1 . 1 112 112 ARG C C 13 178.0 0.15 . 1 . . . . . 230 ARG C . 50920 1 538 . 1 . 1 112 112 ARG CA C 13 59.5 0.15 . 1 . . . . . 230 ARG CA . 50920 1 539 . 1 . 1 112 112 ARG CB C 13 30.4 0.15 . 1 . . . . . 230 ARG CB . 50920 1 540 . 1 . 1 112 112 ARG N N 15 118.5 0.15 . 1 . . . . . 230 ARG N . 50920 1 541 . 1 . 1 113 113 ARG H H 1 7.72 0.02 . 1 . . . . . 231 ARG H . 50920 1 542 . 1 . 1 113 113 ARG C C 13 177.5 0.15 . 1 . . . . . 231 ARG C . 50920 1 543 . 1 . 1 113 113 ARG CA C 13 59.2 0.15 . 1 . . . . . 231 ARG CA . 50920 1 544 . 1 . 1 113 113 ARG CB C 13 31.0 0.15 . 1 . . . . . 231 ARG CB . 50920 1 545 . 1 . 1 113 113 ARG N N 15 118.1 0.15 . 1 . . . . . 231 ARG N . 50920 1 546 . 1 . 1 114 114 ILE H H 1 7.72 0.02 . 1 . . . . . 232 ILE H . 50920 1 547 . 1 . 1 114 114 ILE C C 13 176.4 0.15 . 1 . . . . . 232 ILE C . 50920 1 548 . 1 . 1 114 114 ILE CA C 13 63.6 0.15 . 1 . . . . . 232 ILE CA . 50920 1 549 . 1 . 1 114 114 ILE CB C 13 40.5 0.15 . 1 . . . . . 232 ILE CB . 50920 1 550 . 1 . 1 114 114 ILE N N 15 114.9 0.15 . 1 . . . . . 232 ILE N . 50920 1 551 . 1 . 1 115 115 LEU H H 1 7.24 0.02 . 1 . . . . . 233 LEU H . 50920 1 552 . 1 . 1 115 115 LEU C C 13 177.9 0.15 . 1 . . . . . 233 LEU C . 50920 1 553 . 1 . 1 115 115 LEU CA C 13 55.3 0.15 . 1 . . . . . 233 LEU CA . 50920 1 554 . 1 . 1 115 115 LEU CB C 13 44.4 0.15 . 1 . . . . . 233 LEU CB . 50920 1 555 . 1 . 1 115 115 LEU N N 15 117.6 0.15 . 1 . . . . . 233 LEU N . 50920 1 556 . 1 . 1 116 116 MET H H 1 6.97 0.02 . 1 . . . . . 234 MET H . 50920 1 557 . 1 . 1 116 116 MET C C 13 176.5 0.15 . 1 . . . . . 234 MET C . 50920 1 558 . 1 . 1 116 116 MET CA C 13 60.0 0.15 . 1 . . . . . 234 MET CA . 50920 1 559 . 1 . 1 116 116 MET CB C 13 34.5 0.15 . 1 . . . . . 234 MET CB . 50920 1 560 . 1 . 1 116 116 MET N N 15 120.3 0.15 . 1 . . . . . 234 MET N . 50920 1 561 . 1 . 1 117 117 GLY H H 1 8.79 0.02 . 1 . . . . . 235 GLY H . 50920 1 562 . 1 . 1 117 117 GLY C C 13 176.8 0.15 . 1 . . . . . 235 GLY C . 50920 1 563 . 1 . 1 117 117 GLY CA C 13 47.5 0.15 . 1 . . . . . 235 GLY CA . 50920 1 564 . 1 . 1 117 117 GLY N N 15 106.6 0.15 . 1 . . . . . 235 GLY N . 50920 1 565 . 1 . 1 118 118 SER H H 1 8.24 0.02 . 1 . . . . . 236 SER H . 50920 1 566 . 1 . 1 118 118 SER C C 13 177.3 0.15 . 1 . . . . . 236 SER C . 50920 1 567 . 1 . 1 118 118 SER CA C 13 61.2 0.15 . 1 . . . . . 236 SER CA . 50920 1 568 . 1 . 1 118 118 SER CB C 13 62.3 0.15 . 1 . . . . . 236 SER CB . 50920 1 569 . 1 . 1 118 118 SER N N 15 117.3 0.15 . 1 . . . . . 236 SER N . 50920 1 570 . 1 . 1 119 119 THR H H 1 7.38 0.02 . 1 . . . . . 237 THR H . 50920 1 571 . 1 . 1 119 119 THR C C 13 176.8 0.15 . 1 . . . . . 237 THR C . 50920 1 572 . 1 . 1 119 119 THR CA C 13 66.7 0.15 . 1 . . . . . 237 THR CA . 50920 1 573 . 1 . 1 119 119 THR CB C 13 68.7 0.15 . 1 . . . . . 237 THR CB . 50920 1 574 . 1 . 1 119 119 THR N N 15 120.3 0.15 . 1 . . . . . 237 THR N . 50920 1 575 . 1 . 1 120 120 LEU H H 1 8.40 0.02 . 1 . . . . . 238 LEU H . 50920 1 576 . 1 . 1 120 120 LEU C C 13 179.4 0.15 . 1 . . . . . 238 LEU C . 50920 1 577 . 1 . 1 120 120 LEU CA C 13 57.9 0.15 . 1 . . . . . 238 LEU CA . 50920 1 578 . 1 . 1 120 120 LEU CB C 13 41.7 0.15 . 1 . . . . . 238 LEU CB . 50920 1 579 . 1 . 1 120 120 LEU N N 15 120.8 0.15 . 1 . . . . . 238 LEU N . 50920 1 580 . 1 . 1 121 121 ARG H H 1 7.81 0.02 . 1 . . . . . 239 ARG H . 50920 1 581 . 1 . 1 121 121 ARG C C 13 178.9 0.15 . 1 . . . . . 239 ARG C . 50920 1 582 . 1 . 1 121 121 ARG CA C 13 59.8 0.15 . 1 . . . . . 239 ARG CA . 50920 1 583 . 1 . 1 121 121 ARG CB C 13 29.9 0.15 . 1 . . . . . 239 ARG CB . 50920 1 584 . 1 . 1 121 121 ARG N N 15 118.6 0.15 . 1 . . . . . 239 ARG N . 50920 1 585 . 1 . 1 122 122 LYS H H 1 7.37 0.02 . 1 . . . . . 240 LYS H . 50920 1 586 . 1 . 1 122 122 LYS C C 13 178.6 0.15 . 1 . . . . . 240 LYS C . 50920 1 587 . 1 . 1 122 122 LYS CA C 13 59.7 0.15 . 1 . . . . . 240 LYS CA . 50920 1 588 . 1 . 1 122 122 LYS CB C 13 32.1 0.15 . 1 . . . . . 240 LYS CB . 50920 1 589 . 1 . 1 122 122 LYS N N 15 119.3 0.15 . 1 . . . . . 240 LYS N . 50920 1 590 . 1 . 1 123 123 ARG H H 1 7.80 0.02 . 1 . . . . . 241 ARG H . 50920 1 591 . 1 . 1 123 123 ARG C C 13 178.8 0.15 . 1 . . . . . 241 ARG C . 50920 1 592 . 1 . 1 123 123 ARG CA C 13 61.1 0.15 . 1 . . . . . 241 ARG CA . 50920 1 593 . 1 . 1 123 123 ARG CB C 13 29.6 0.15 . 1 . . . . . 241 ARG CB . 50920 1 594 . 1 . 1 123 123 ARG N N 15 117.5 0.15 . 1 . . . . . 241 ARG N . 50920 1 595 . 1 . 1 124 124 LYS H H 1 8.16 0.02 . 1 . . . . . 242 LYS H . 50920 1 596 . 1 . 1 124 124 LYS C C 13 179.3 0.15 . 1 . . . . . 242 LYS C . 50920 1 597 . 1 . 1 124 124 LYS CA C 13 58.5 0.15 . 1 . . . . . 242 LYS CA . 50920 1 598 . 1 . 1 124 124 LYS CB C 13 31.5 0.15 . 1 . . . . . 242 LYS CB . 50920 1 599 . 1 . 1 124 124 LYS N N 15 117.9 0.15 . 1 . . . . . 242 LYS N . 50920 1 600 . 1 . 1 125 125 MET H H 1 7.48 0.02 . 1 . . . . . 243 MET H . 50920 1 601 . 1 . 1 125 125 MET C C 13 178.6 0.15 . 1 . . . . . 243 MET C . 50920 1 602 . 1 . 1 125 125 MET CA C 13 58.6 0.15 . 1 . . . . . 243 MET CA . 50920 1 603 . 1 . 1 125 125 MET CB C 13 32.1 0.15 . 1 . . . . . 243 MET CB . 50920 1 604 . 1 . 1 125 125 MET N N 15 117.5 0.15 . 1 . . . . . 243 MET N . 50920 1 605 . 1 . 1 126 126 TYR H H 1 7.01 0.02 . 1 . . . . . 244 TYR H . 50920 1 606 . 1 . 1 126 126 TYR C C 13 176.1 0.15 . 1 . . . . . 244 TYR C . 50920 1 607 . 1 . 1 126 126 TYR CA C 13 58.0 0.15 . 1 . . . . . 244 TYR CA . 50920 1 608 . 1 . 1 126 126 TYR CB C 13 40.4 0.15 . 1 . . . . . 244 TYR CB . 50920 1 609 . 1 . 1 126 126 TYR N N 15 112.5 0.15 . 1 . . . . . 244 TYR N . 50920 1 610 . 1 . 1 127 127 GLU H H 1 8.24 0.02 . 1 . . . . . 245 GLU H . 50920 1 611 . 1 . 1 127 127 GLU C C 13 178.2 0.15 . 1 . . . . . 245 GLU C . 50920 1 612 . 1 . 1 127 127 GLU CA C 13 62.0 0.15 . 1 . . . . . 245 GLU CA . 50920 1 613 . 1 . 1 127 127 GLU CB C 13 28.7 0.15 . 1 . . . . . 245 GLU CB . 50920 1 614 . 1 . 1 127 127 GLU N N 15 121.7 0.15 . 1 . . . . . 245 GLU N . 50920 1 615 . 1 . 1 128 128 GLU H H 1 8.62 0.02 . 1 . . . . . 246 GLU H . 50920 1 616 . 1 . 1 128 128 GLU C C 13 179.8 0.15 . 1 . . . . . 246 GLU C . 50920 1 617 . 1 . 1 128 128 GLU CA C 13 59.7 0.15 . 1 . . . . . 246 GLU CA . 50920 1 618 . 1 . 1 128 128 GLU CB C 13 29.0 0.15 . 1 . . . . . 246 GLU CB . 50920 1 619 . 1 . 1 128 128 GLU N N 15 119.9 0.15 . 1 . . . . . 246 GLU N . 50920 1 620 . 1 . 1 129 129 PHE H H 1 8.37 0.02 . 1 . . . . . 247 PHE H . 50920 1 621 . 1 . 1 129 129 PHE C C 13 178.0 0.15 . 1 . . . . . 247 PHE C . 50920 1 622 . 1 . 1 129 129 PHE CA C 13 61.1 0.15 . 1 . . . . . 247 PHE CA . 50920 1 623 . 1 . 1 129 129 PHE CB C 13 38.9 0.15 . 1 . . . . . 247 PHE CB . 50920 1 624 . 1 . 1 129 129 PHE N N 15 122.5 0.15 . 1 . . . . . 247 PHE N . 50920 1 625 . 1 . 1 130 130 LEU H H 1 8.40 0.02 . 1 . . . . . 248 LEU H . 50920 1 626 . 1 . 1 130 130 LEU C C 13 178.8 0.15 . 1 . . . . . 248 LEU C . 50920 1 627 . 1 . 1 130 130 LEU CA C 13 57.1 0.15 . 1 . . . . . 248 LEU CA . 50920 1 628 . 1 . 1 130 130 LEU CB C 13 40.7 0.15 . 1 . . . . . 248 LEU CB . 50920 1 629 . 1 . 1 130 130 LEU N N 15 116.3 0.15 . 1 . . . . . 248 LEU N . 50920 1 630 . 1 . 1 131 131 SER H H 1 7.50 0.02 . 1 . . . . . 249 SER H . 50920 1 631 . 1 . 1 131 131 SER C C 13 174.2 0.15 . 1 . . . . . 249 SER C . 50920 1 632 . 1 . 1 131 131 SER CA C 13 61.0 0.15 . 1 . . . . . 249 SER CA . 50920 1 633 . 1 . 1 131 131 SER CB C 13 63.1 0.15 . 1 . . . . . 249 SER CB . 50920 1 634 . 1 . 1 131 131 SER N N 15 113.1 0.15 . 1 . . . . . 249 SER N . 50920 1 635 . 1 . 1 132 132 LYS H H 1 7.20 0.02 . 1 . . . . . 250 LYS H . 50920 1 636 . 1 . 1 132 132 LYS C C 13 176.2 0.15 . 1 . . . . . 250 LYS C . 50920 1 637 . 1 . 1 132 132 LYS CA C 13 55.5 0.15 . 1 . . . . . 250 LYS CA . 50920 1 638 . 1 . 1 132 132 LYS CB C 13 32.3 0.15 . 1 . . . . . 250 LYS CB . 50920 1 639 . 1 . 1 132 132 LYS N N 15 119.5 0.15 . 1 . . . . . 250 LYS N . 50920 1 640 . 1 . 1 133 133 VAL H H 1 6.79 0.02 . 1 . . . . . 251 VAL H . 50920 1 641 . 1 . 1 133 133 VAL C C 13 178.1 0.15 . 1 . . . . . 251 VAL C . 50920 1 642 . 1 . 1 133 133 VAL CA C 13 62.4 0.15 . 1 . . . . . 251 VAL CA . 50920 1 643 . 1 . 1 133 133 VAL CB C 13 31.3 0.15 . 1 . . . . . 251 VAL CB . 50920 1 644 . 1 . 1 133 133 VAL N N 15 121.6 0.15 . 1 . . . . . 251 VAL N . 50920 1 645 . 1 . 1 134 134 SER H H 1 9.02 0.02 . 1 . . . . . 252 SER H . 50920 1 646 . 1 . 1 134 134 SER C C 13 178.1 0.15 . 1 . . . . . 252 SER C . 50920 1 647 . 1 . 1 134 134 SER CA C 13 62.4 0.15 . 1 . . . . . 252 SER CA . 50920 1 648 . 1 . 1 134 134 SER CB C 13 61.0 0.15 . 1 . . . . . 252 SER CB . 50920 1 649 . 1 . 1 135 135 ILE H H 1 7.85 0.02 . 1 . . . . . 253 ILE H . 50920 1 650 . 1 . 1 135 135 ILE C C 13 175.9 0.15 . 1 . . . . . 253 ILE C . 50920 1 651 . 1 . 1 135 135 ILE CA C 13 63.3 0.15 . 1 . . . . . 253 ILE CA . 50920 1 652 . 1 . 1 135 135 ILE CB C 13 38.0 0.15 . 1 . . . . . 253 ILE CB . 50920 1 653 . 1 . 1 135 135 ILE N N 15 114.5 0.15 . 1 . . . . . 253 ILE N . 50920 1 654 . 1 . 1 136 136 LEU H H 1 7.55 0.02 . 1 . . . . . 254 LEU H . 50920 1 655 . 1 . 1 136 136 LEU C C 13 178.5 0.15 . 1 . . . . . 254 LEU C . 50920 1 656 . 1 . 1 136 136 LEU CA C 13 54.0 0.15 . 1 . . . . . 254 LEU CA . 50920 1 657 . 1 . 1 136 136 LEU CB C 13 39.9 0.15 . 1 . . . . . 254 LEU CB . 50920 1 658 . 1 . 1 136 136 LEU N N 15 116.7 0.15 . 1 . . . . . 254 LEU N . 50920 1 659 . 1 . 1 137 137 GLU H H 1 7.47 0.02 . 1 . . . . . 255 GLU H . 50920 1 660 . 1 . 1 137 137 GLU C C 13 177.1 0.15 . 1 . . . . . 255 GLU C . 50920 1 661 . 1 . 1 137 137 GLU CA C 13 59.6 0.15 . 1 . . . . . 255 GLU CA . 50920 1 662 . 1 . 1 137 137 GLU CB C 13 29.6 0.15 . 1 . . . . . 255 GLU CB . 50920 1 663 . 1 . 1 137 137 GLU N N 15 121.0 0.15 . 1 . . . . . 255 GLU N . 50920 1 664 . 1 . 1 138 138 SER H H 1 7.97 0.02 . 1 . . . . . 256 SER H . 50920 1 665 . 1 . 1 138 138 SER C C 13 174.7 0.15 . 1 . . . . . 256 SER C . 50920 1 666 . 1 . 1 138 138 SER CA C 13 59.5 0.15 . 1 . . . . . 256 SER CA . 50920 1 667 . 1 . 1 138 138 SER CB C 13 63.4 0.15 . 1 . . . . . 256 SER CB . 50920 1 668 . 1 . 1 138 138 SER N N 15 111.2 0.15 . 1 . . . . . 256 SER N . 50920 1 669 . 1 . 1 139 139 LEU H H 1 7.17 0.02 . 1 . . . . . 257 LEU H . 50920 1 670 . 1 . 1 139 139 LEU C C 13 177.2 0.15 . 1 . . . . . 257 LEU C . 50920 1 671 . 1 . 1 139 139 LEU CA C 13 54.8 0.15 . 1 . . . . . 257 LEU CA . 50920 1 672 . 1 . 1 139 139 LEU CB C 13 41.7 0.15 . 1 . . . . . 257 LEU CB . 50920 1 673 . 1 . 1 139 139 LEU N N 15 122.4 0.15 . 1 . . . . . 257 LEU N . 50920 1 674 . 1 . 1 140 140 ASP H H 1 9.08 0.02 . 1 . . . . . 258 ASP H . 50920 1 675 . 1 . 1 140 140 ASP C C 13 176.6 0.15 . 1 . . . . . 258 ASP C . 50920 1 676 . 1 . 1 140 140 ASP CA C 13 53.2 0.15 . 1 . . . . . 258 ASP CA . 50920 1 677 . 1 . 1 140 140 ASP CB C 13 42.2 0.15 . 1 . . . . . 258 ASP CB . 50920 1 678 . 1 . 1 140 140 ASP N N 15 122.3 0.15 . 1 . . . . . 258 ASP N . 50920 1 679 . 1 . 1 141 141 LYS H H 1 8.22 0.02 . 1 . . . . . 259 LYS H . 50920 1 680 . 1 . 1 141 141 LYS C C 13 179.0 0.15 . 1 . . . . . 259 LYS C . 50920 1 681 . 1 . 1 141 141 LYS CA C 13 60.6 0.15 . 1 . . . . . 259 LYS CA . 50920 1 682 . 1 . 1 141 141 LYS CB C 13 32.5 0.15 . 1 . . . . . 259 LYS CB . 50920 1 683 . 1 . 1 141 141 LYS N N 15 120.0 0.15 . 1 . . . . . 259 LYS N . 50920 1 684 . 1 . 1 142 142 TRP H H 1 8.67 0.02 . 1 . . . . . 260 TRP H . 50920 1 685 . 1 . 1 142 142 TRP C C 13 178.7 0.15 . 1 . . . . . 260 TRP C . 50920 1 686 . 1 . 1 142 142 TRP CA C 13 62.9 0.15 . 1 . . . . . 260 TRP CA . 50920 1 687 . 1 . 1 142 142 TRP CB C 13 27.1 0.15 . 1 . . . . . 260 TRP CB . 50920 1 688 . 1 . 1 142 142 TRP N N 15 120.3 0.15 . 1 . . . . . 260 TRP N . 50920 1 689 . 1 . 1 143 143 GLU H H 1 8.04 0.02 . 1 . . . . . 261 GLU H . 50920 1 690 . 1 . 1 143 143 GLU C C 13 181.0 0.15 . 1 . . . . . 261 GLU C . 50920 1 691 . 1 . 1 143 143 GLU CA C 13 59.5 0.15 . 1 . . . . . 261 GLU CA . 50920 1 692 . 1 . 1 143 143 GLU CB C 13 30.0 0.15 . 1 . . . . . 261 GLU CB . 50920 1 693 . 1 . 1 143 143 GLU N N 15 118.8 0.15 . 1 . . . . . 261 GLU N . 50920 1 694 . 1 . 1 144 144 ARG H H 1 8.12 0.02 . 1 . . . . . 262 ARG H . 50920 1 695 . 1 . 1 144 144 ARG C C 13 178.5 0.15 . 1 . . . . . 262 ARG C . 50920 1 696 . 1 . 1 144 144 ARG CA C 13 61.2 0.15 . 1 . . . . . 262 ARG CA . 50920 1 697 . 1 . 1 144 144 ARG CB C 13 30.1 0.15 . 1 . . . . . 262 ARG CB . 50920 1 698 . 1 . 1 144 144 ARG N N 15 118.6 0.15 . 1 . . . . . 262 ARG N . 50920 1 699 . 1 . 1 145 145 LEU H H 1 7.58 0.02 . 1 . . . . . 263 LEU H . 50920 1 700 . 1 . 1 145 145 LEU C C 13 178.1 0.15 . 1 . . . . . 263 LEU C . 50920 1 701 . 1 . 1 145 145 LEU CA C 13 58.0 0.15 . 1 . . . . . 263 LEU CA . 50920 1 702 . 1 . 1 145 145 LEU CB C 13 39.5 0.15 . 1 . . . . . 263 LEU CB . 50920 1 703 . 1 . 1 145 145 LEU N N 15 121.3 0.15 . 1 . . . . . 263 LEU N . 50920 1 704 . 1 . 1 146 146 THR H H 1 7.32 0.02 . 1 . . . . . 264 THR H . 50920 1 705 . 1 . 1 146 146 THR C C 13 177.9 0.15 . 1 . . . . . 264 THR C . 50920 1 706 . 1 . 1 146 146 THR CA C 13 65.6 0.15 . 1 . . . . . 264 THR CA . 50920 1 707 . 1 . 1 146 146 THR CB C 13 68.5 0.15 . 1 . . . . . 264 THR CB . 50920 1 708 . 1 . 1 146 146 THR N N 15 111.8 0.15 . 1 . . . . . 264 THR N . 50920 1 709 . 1 . 1 147 147 VAL H H 1 7.09 0.02 . 1 . . . . . 265 VAL H . 50920 1 710 . 1 . 1 147 147 VAL C C 13 177.4 0.15 . 1 . . . . . 265 VAL C . 50920 1 711 . 1 . 1 147 147 VAL CA C 13 66.9 0.15 . 1 . . . . . 265 VAL CA . 50920 1 712 . 1 . 1 147 147 VAL CB C 13 30.0 0.15 . 1 . . . . . 265 VAL CB . 50920 1 713 . 1 . 1 147 147 VAL N N 15 122.8 0.15 . 1 . . . . . 265 VAL N . 50920 1 714 . 1 . 1 148 148 ALA H H 1 7.36 0.02 . 1 . . . . . 266 ALA H . 50920 1 715 . 1 . 1 148 148 ALA C C 13 178.8 0.15 . 1 . . . . . 266 ALA C . 50920 1 716 . 1 . 1 148 148 ALA CA C 13 55.6 0.15 . 1 . . . . . 266 ALA CA . 50920 1 717 . 1 . 1 148 148 ALA CB C 13 17.4 0.15 . 1 . . . . . 266 ALA CB . 50920 1 718 . 1 . 1 148 148 ALA N N 15 120.9 0.15 . 1 . . . . . 266 ALA N . 50920 1 719 . 1 . 1 149 149 ASP H H 1 7.89 0.02 . 1 . . . . . 267 ASP H . 50920 1 720 . 1 . 1 149 149 ASP C C 13 178.0 0.15 . 1 . . . . . 267 ASP C . 50920 1 721 . 1 . 1 149 149 ASP CA C 13 57.0 0.15 . 1 . . . . . 267 ASP CA . 50920 1 722 . 1 . 1 149 149 ASP CB C 13 40.6 0.15 . 1 . . . . . 267 ASP CB . 50920 1 723 . 1 . 1 149 149 ASP N N 15 113.6 0.15 . 1 . . . . . 267 ASP N . 50920 1 724 . 1 . 1 150 150 ALA H H 1 7.19 0.02 . 1 . . . . . 268 ALA H . 50920 1 725 . 1 . 1 150 150 ALA C C 13 176.9 0.15 . 1 . . . . . 268 ALA C . 50920 1 726 . 1 . 1 150 150 ALA CA C 13 52.4 0.15 . 1 . . . . . 268 ALA CA . 50920 1 727 . 1 . 1 150 150 ALA CB C 13 20.5 0.15 . 1 . . . . . 268 ALA CB . 50920 1 728 . 1 . 1 150 150 ALA N N 15 119.2 0.15 . 1 . . . . . 268 ALA N . 50920 1 729 . 1 . 1 151 151 LEU H H 1 7.07 0.02 . 1 . . . . . 269 LEU H . 50920 1 730 . 1 . 1 151 151 LEU C C 13 177.3 0.15 . 1 . . . . . 269 LEU C . 50920 1 731 . 1 . 1 151 151 LEU CA C 13 55.9 0.15 . 1 . . . . . 269 LEU CA . 50920 1 732 . 1 . 1 151 151 LEU CB C 13 42.6 0.15 . 1 . . . . . 269 LEU CB . 50920 1 733 . 1 . 1 151 151 LEU N N 15 117.2 0.15 . 1 . . . . . 269 LEU N . 50920 1 734 . 1 . 1 152 152 GLU H H 1 8.10 0.02 . 1 . . . . . 270 GLU H . 50920 1 735 . 1 . 1 152 152 GLU C C 13 174.5 0.15 . 1 . . . . . 270 GLU C . 50920 1 736 . 1 . 1 152 152 GLU CA C 13 52.3 0.15 . 1 . . . . . 270 GLU CA . 50920 1 737 . 1 . 1 152 152 GLU CB C 13 32.2 0.15 . 1 . . . . . 270 GLU CB . 50920 1 738 . 1 . 1 152 152 GLU N N 15 119.0 0.15 . 1 . . . . . 270 GLU N . 50920 1 739 . 1 . 1 153 153 PRO C C 13 176.5 0.15 . 1 . . . . . 271 PRO C . 50920 1 740 . 1 . 1 153 153 PRO CA C 13 62.5 0.15 . 1 . . . . . 271 PRO CA . 50920 1 741 . 1 . 1 153 153 PRO CB C 13 32.2 0.15 . 1 . . . . . 271 PRO CB . 50920 1 742 . 1 . 1 154 154 VAL H H 1 8.25 0.02 . 1 . . . . . 272 VAL H . 50920 1 743 . 1 . 1 154 154 VAL C C 13 172.4 0.15 . 1 . . . . . 272 VAL C . 50920 1 744 . 1 . 1 154 154 VAL CA C 13 60.8 0.15 . 1 . . . . . 272 VAL CA . 50920 1 745 . 1 . 1 154 154 VAL CB C 13 35.0 0.15 . 1 . . . . . 272 VAL CB . 50920 1 746 . 1 . 1 154 154 VAL N N 15 117.8 0.15 . 1 . . . . . 272 VAL N . 50920 1 747 . 1 . 1 155 155 GLN H H 1 7.88 0.02 . 1 . . . . . 273 GLN H . 50920 1 748 . 1 . 1 155 155 GLN C C 13 173.7 0.15 . 1 . . . . . 273 GLN C . 50920 1 749 . 1 . 1 155 155 GLN CA C 13 54.2 0.15 . 1 . . . . . 273 GLN CA . 50920 1 750 . 1 . 1 155 155 GLN CB C 13 31.8 0.15 . 1 . . . . . 273 GLN CB . 50920 1 751 . 1 . 1 155 155 GLN N N 15 122.1 0.15 . 1 . . . . . 273 GLN N . 50920 1 752 . 1 . 1 156 156 PHE H H 1 8.98 0.02 . 1 . . . . . 274 PHE H . 50920 1 753 . 1 . 1 156 156 PHE C C 13 175.3 0.15 . 1 . . . . . 274 PHE C . 50920 1 754 . 1 . 1 156 156 PHE CA C 13 56.7 0.15 . 1 . . . . . 274 PHE CA . 50920 1 755 . 1 . 1 156 156 PHE CB C 13 43.0 0.15 . 1 . . . . . 274 PHE CB . 50920 1 756 . 1 . 1 156 156 PHE N N 15 119.4 0.15 . 1 . . . . . 274 PHE N . 50920 1 757 . 1 . 1 157 157 GLU H H 1 8.57 0.02 . 1 . . . . . 275 GLU H . 50920 1 758 . 1 . 1 157 157 GLU C C 13 174.8 0.15 . 1 . . . . . 275 GLU C . 50920 1 759 . 1 . 1 157 157 GLU CA C 13 54.4 0.15 . 1 . . . . . 275 GLU CA . 50920 1 760 . 1 . 1 157 157 GLU CB C 13 31.6 0.15 . 1 . . . . . 275 GLU CB . 50920 1 761 . 1 . 1 157 157 GLU N N 15 122.2 0.15 . 1 . . . . . 275 GLU N . 50920 1 762 . 1 . 1 158 158 ASP H H 1 8.28 0.02 . 1 . . . . . 276 ASP H . 50920 1 763 . 1 . 1 158 158 ASP C C 13 177.4 0.15 . 1 . . . . . 276 ASP C . 50920 1 764 . 1 . 1 158 158 ASP CA C 13 56.2 0.15 . 1 . . . . . 276 ASP CA . 50920 1 765 . 1 . 1 158 158 ASP CB C 13 42.3 0.15 . 1 . . . . . 276 ASP CB . 50920 1 766 . 1 . 1 158 158 ASP N N 15 117.1 0.15 . 1 . . . . . 276 ASP N . 50920 1 767 . 1 . 1 159 159 GLY H H 1 8.38 0.02 . 1 . . . . . 277 GLY H . 50920 1 768 . 1 . 1 159 159 GLY C C 13 174.2 0.15 . 1 . . . . . 277 GLY C . 50920 1 769 . 1 . 1 159 159 GLY CA C 13 45.3 0.15 . 1 . . . . . 277 GLY CA . 50920 1 770 . 1 . 1 159 159 GLY N N 15 115.0 0.15 . 1 . . . . . 277 GLY N . 50920 1 771 . 1 . 1 160 160 GLN H H 1 8.00 0.02 . 1 . . . . . 278 GLN H . 50920 1 772 . 1 . 1 160 160 GLN C C 13 175.6 0.15 . 1 . . . . . 278 GLN C . 50920 1 773 . 1 . 1 160 160 GLN CA C 13 57.1 0.15 . 1 . . . . . 278 GLN CA . 50920 1 774 . 1 . 1 160 160 GLN CB C 13 29.4 0.15 . 1 . . . . . 278 GLN CB . 50920 1 775 . 1 . 1 160 160 GLN N N 15 121.2 0.15 . 1 . . . . . 278 GLN N . 50920 1 776 . 1 . 1 161 161 LYS H H 1 8.39 0.02 . 1 . . . . . 279 LYS H . 50920 1 777 . 1 . 1 161 161 LYS C C 13 175.7 0.15 . 1 . . . . . 279 LYS C . 50920 1 778 . 1 . 1 161 161 LYS CA C 13 56.1 0.15 . 1 . . . . . 279 LYS CA . 50920 1 779 . 1 . 1 161 161 LYS CB C 13 31.0 0.15 . 1 . . . . . 279 LYS CB . 50920 1 780 . 1 . 1 161 161 LYS N N 15 123.8 0.15 . 1 . . . . . 279 LYS N . 50920 1 781 . 1 . 1 162 162 ILE H H 1 8.63 0.02 . 1 . . . . . 280 ILE H . 50920 1 782 . 1 . 1 162 162 ILE C C 13 177.2 0.15 . 1 . . . . . 280 ILE C . 50920 1 783 . 1 . 1 162 162 ILE CA C 13 64.5 0.15 . 1 . . . . . 280 ILE CA . 50920 1 784 . 1 . 1 162 162 ILE CB C 13 39.0 0.15 . 1 . . . . . 280 ILE CB . 50920 1 785 . 1 . 1 162 162 ILE N N 15 127.4 0.15 . 1 . . . . . 280 ILE N . 50920 1 786 . 1 . 1 163 163 VAL H H 1 6.79 0.02 . 1 . . . . . 281 VAL H . 50920 1 787 . 1 . 1 163 163 VAL C C 13 173.8 0.15 . 1 . . . . . 281 VAL C . 50920 1 788 . 1 . 1 163 163 VAL CA C 13 58.0 0.15 . 1 . . . . . 281 VAL CA . 50920 1 789 . 1 . 1 163 163 VAL CB C 13 35.7 0.15 . 1 . . . . . 281 VAL CB . 50920 1 790 . 1 . 1 163 163 VAL N N 15 106.7 0.15 . 1 . . . . . 281 VAL N . 50920 1 791 . 1 . 1 164 164 VAL H H 1 8.23 0.02 . 1 . . . . . 282 VAL H . 50920 1 792 . 1 . 1 164 164 VAL C C 13 174.5 0.15 . 1 . . . . . 282 VAL C . 50920 1 793 . 1 . 1 164 164 VAL CA C 13 61.1 0.15 . 1 . . . . . 282 VAL CA . 50920 1 794 . 1 . 1 164 164 VAL CB C 13 34.5 0.15 . 1 . . . . . 282 VAL CB . 50920 1 795 . 1 . 1 164 164 VAL N N 15 123.4 0.15 . 1 . . . . . 282 VAL N . 50920 1 796 . 1 . 1 165 165 GLN H H 1 8.26 0.02 . 1 . . . . . 283 GLN H . 50920 1 797 . 1 . 1 165 165 GLN C C 13 177.0 0.15 . 1 . . . . . 283 GLN C . 50920 1 798 . 1 . 1 165 165 GLN CA C 13 58.3 0.15 . 1 . . . . . 283 GLN CA . 50920 1 799 . 1 . 1 165 165 GLN CB C 13 27.8 0.15 . 1 . . . . . 283 GLN CB . 50920 1 800 . 1 . 1 165 165 GLN N N 15 126.7 0.15 . 1 . . . . . 283 GLN N . 50920 1 801 . 1 . 1 166 166 GLY H H 1 9.09 0.02 . 1 . . . . . 284 GLY H . 50920 1 802 . 1 . 1 166 166 GLY C C 13 174.3 0.15 . 1 . . . . . 284 GLY C . 50920 1 803 . 1 . 1 166 166 GLY CA C 13 45.1 0.15 . 1 . . . . . 284 GLY CA . 50920 1 804 . 1 . 1 166 166 GLY N N 15 113.5 0.15 . 1 . . . . . 284 GLY N . 50920 1 805 . 1 . 1 167 167 GLU H H 1 7.79 0.02 . 1 . . . . . 285 GLU H . 50920 1 806 . 1 . 1 167 167 GLU C C 13 173.7 0.15 . 1 . . . . . 285 GLU C . 50920 1 807 . 1 . 1 167 167 GLU CA C 13 54.5 0.15 . 1 . . . . . 285 GLU CA . 50920 1 808 . 1 . 1 167 167 GLU CB C 13 28.4 0.15 . 1 . . . . . 285 GLU CB . 50920 1 809 . 1 . 1 167 167 GLU N N 15 121.8 0.15 . 1 . . . . . 285 GLU N . 50920 1 810 . 1 . 1 168 168 PRO C C 13 177.6 0.15 . 1 . . . . . 286 PRO C . 50920 1 811 . 1 . 1 168 168 PRO CA C 13 62.7 0.15 . 1 . . . . . 286 PRO CA . 50920 1 812 . 1 . 1 168 168 PRO CB C 13 31.7 0.15 . 1 . . . . . 286 PRO CB . 50920 1 813 . 1 . 1 169 169 GLY H H 1 8.78 0.02 . 1 . . . . . 287 GLY H . 50920 1 814 . 1 . 1 169 169 GLY C C 13 171.6 0.15 . 1 . . . . . 287 GLY C . 50920 1 815 . 1 . 1 169 169 GLY CA C 13 46.1 0.15 . 1 . . . . . 287 GLY CA . 50920 1 816 . 1 . 1 169 169 GLY N N 15 108.1 0.15 . 1 . . . . . 287 GLY N . 50920 1 817 . 1 . 1 170 170 ASP H H 1 8.45 0.02 . 1 . . . . . 288 ASP H . 50920 1 818 . 1 . 1 170 170 ASP C C 13 174.0 0.15 . 1 . . . . . 288 ASP C . 50920 1 819 . 1 . 1 170 170 ASP CA C 13 53.9 0.15 . 1 . . . . . 288 ASP CA . 50920 1 820 . 1 . 1 170 170 ASP CB C 13 43.4 0.15 . 1 . . . . . 288 ASP CB . 50920 1 821 . 1 . 1 170 170 ASP N N 15 119.9 0.15 . 1 . . . . . 288 ASP N . 50920 1 822 . 1 . 1 171 171 GLU H H 1 6.56 0.02 . 1 . . . . . 289 GLU H . 50920 1 823 . 1 . 1 171 171 GLU C C 13 173.6 0.15 . 1 . . . . . 289 GLU C . 50920 1 824 . 1 . 1 171 171 GLU CA C 13 55.2 0.15 . 1 . . . . . 289 GLU CA . 50920 1 825 . 1 . 1 171 171 GLU CB C 13 34.8 0.15 . 1 . . . . . 289 GLU CB . 50920 1 826 . 1 . 1 171 171 GLU N N 15 113.3 0.15 . 1 . . . . . 289 GLU N . 50920 1 827 . 1 . 1 172 172 PHE H H 1 8.31 0.02 . 1 . . . . . 290 PHE H . 50920 1 828 . 1 . 1 172 172 PHE C C 13 172.1 0.15 . 1 . . . . . 290 PHE C . 50920 1 829 . 1 . 1 172 172 PHE CA C 13 55.8 0.15 . 1 . . . . . 290 PHE CA . 50920 1 830 . 1 . 1 172 172 PHE CB C 13 44.0 0.15 . 1 . . . . . 290 PHE CB . 50920 1 831 . 1 . 1 172 172 PHE N N 15 123.3 0.15 . 1 . . . . . 290 PHE N . 50920 1 832 . 1 . 1 173 173 PHE H H 1 7.67 0.02 . 1 . . . . . 291 PHE H . 50920 1 833 . 1 . 1 173 173 PHE C C 13 174.1 0.15 . 1 . . . . . 291 PHE C . 50920 1 834 . 1 . 1 173 173 PHE CA C 13 56.5 0.15 . 1 . . . . . 291 PHE CA . 50920 1 835 . 1 . 1 173 173 PHE CB C 13 43.3 0.15 . 1 . . . . . 291 PHE CB . 50920 1 836 . 1 . 1 173 173 PHE N N 15 122.3 0.15 . 1 . . . . . 291 PHE N . 50920 1 837 . 1 . 1 174 174 ILE H H 1 8.40 0.02 . 1 . . . . . 292 ILE H . 50920 1 838 . 1 . 1 174 174 ILE C C 13 176.0 0.15 . 1 . . . . . 292 ILE C . 50920 1 839 . 1 . 1 174 174 ILE CA C 13 60.5 0.15 . 1 . . . . . 292 ILE CA . 50920 1 840 . 1 . 1 174 174 ILE CB C 13 40.5 0.15 . 1 . . . . . 292 ILE CB . 50920 1 841 . 1 . 1 174 174 ILE N N 15 116.3 0.15 . 1 . . . . . 292 ILE N . 50920 1 842 . 1 . 1 175 175 ILE H H 1 8.85 0.02 . 1 . . . . . 293 ILE H . 50920 1 843 . 1 . 1 175 175 ILE C C 13 175.8 0.15 . 1 . . . . . 293 ILE C . 50920 1 844 . 1 . 1 175 175 ILE CA C 13 63.5 0.15 . 1 . . . . . 293 ILE CA . 50920 1 845 . 1 . 1 175 175 ILE CB C 13 38.2 0.15 . 1 . . . . . 293 ILE CB . 50920 1 846 . 1 . 1 175 175 ILE N N 15 127.5 0.15 . 1 . . . . . 293 ILE N . 50920 1 847 . 1 . 1 176 176 LEU H H 1 9.04 0.02 . 1 . . . . . 294 LEU H . 50920 1 848 . 1 . 1 176 176 LEU C C 13 176.5 0.15 . 1 . . . . . 294 LEU C . 50920 1 849 . 1 . 1 176 176 LEU CA C 13 56.4 0.15 . 1 . . . . . 294 LEU CA . 50920 1 850 . 1 . 1 176 176 LEU CB C 13 43.8 0.15 . 1 . . . . . 294 LEU CB . 50920 1 851 . 1 . 1 176 176 LEU N N 15 129.3 0.15 . 1 . . . . . 294 LEU N . 50920 1 852 . 1 . 1 177 177 GLU H H 1 7.63 0.02 . 1 . . . . . 295 GLU H . 50920 1 853 . 1 . 1 177 177 GLU C C 13 173.6 0.15 . 1 . . . . . 295 GLU C . 50920 1 854 . 1 . 1 177 177 GLU CA C 13 56.3 0.15 . 1 . . . . . 295 GLU CA . 50920 1 855 . 1 . 1 177 177 GLU CB C 13 34.4 0.15 . 1 . . . . . 295 GLU CB . 50920 1 856 . 1 . 1 177 177 GLU N N 15 116.7 0.15 . 1 . . . . . 295 GLU N . 50920 1 857 . 1 . 1 178 178 GLY H H 1 8.22 0.02 . 1 . . . . . 296 GLY H . 50920 1 858 . 1 . 1 178 178 GLY C C 13 171.3 0.15 . 1 . . . . . 296 GLY C . 50920 1 859 . 1 . 1 178 178 GLY CA C 13 44.2 0.15 . 1 . . . . . 296 GLY CA . 50920 1 860 . 1 . 1 178 178 GLY N N 15 112.7 0.15 . 1 . . . . . 296 GLY N . 50920 1 861 . 1 . 1 179 179 SER H H 1 7.72 0.02 . 1 . . . . . 297 SER H . 50920 1 862 . 1 . 1 179 179 SER C C 13 172.1 0.15 . 1 . . . . . 297 SER C . 50920 1 863 . 1 . 1 179 179 SER CA C 13 56.3 0.15 . 1 . . . . . 297 SER CA . 50920 1 864 . 1 . 1 179 179 SER CB C 13 66.4 0.15 . 1 . . . . . 297 SER CB . 50920 1 865 . 1 . 1 179 179 SER N N 15 109.9 0.15 . 1 . . . . . 297 SER N . 50920 1 866 . 1 . 1 180 180 ALA H H 1 8.35 0.02 . 1 . . . . . 298 ALA H . 50920 1 867 . 1 . 1 180 180 ALA C C 13 175.6 0.15 . 1 . . . . . 298 ALA C . 50920 1 868 . 1 . 1 180 180 ALA CA C 13 49.8 0.15 . 1 . . . . . 298 ALA CA . 50920 1 869 . 1 . 1 180 180 ALA CB C 13 22.6 0.15 . 1 . . . . . 298 ALA CB . 50920 1 870 . 1 . 1 180 180 ALA N N 15 123.6 0.15 . 1 . . . . . 298 ALA N . 50920 1 871 . 1 . 1 181 181 ALA H H 1 8.79 0.02 . 1 . . . . . 299 ALA H . 50920 1 872 . 1 . 1 181 181 ALA C C 13 174.5 0.15 . 1 . . . . . 299 ALA C . 50920 1 873 . 1 . 1 181 181 ALA CA C 13 50.4 0.15 . 1 . . . . . 299 ALA CA . 50920 1 874 . 1 . 1 181 181 ALA CB C 13 21.4 0.15 . 1 . . . . . 299 ALA CB . 50920 1 875 . 1 . 1 181 181 ALA N N 15 123.5 0.15 . 1 . . . . . 299 ALA N . 50920 1 876 . 1 . 1 182 182 VAL H H 1 7.99 0.02 . 1 . . . . . 300 VAL H . 50920 1 877 . 1 . 1 182 182 VAL C C 13 174.7 0.15 . 1 . . . . . 300 VAL C . 50920 1 878 . 1 . 1 182 182 VAL CA C 13 60.7 0.15 . 1 . . . . . 300 VAL CA . 50920 1 879 . 1 . 1 182 182 VAL CB C 13 31.3 0.15 . 1 . . . . . 300 VAL CB . 50920 1 880 . 1 . 1 182 182 VAL N N 15 121.1 0.15 . 1 . . . . . 300 VAL N . 50920 1 881 . 1 . 1 183 183 LEU H H 1 9.36 0.02 . 1 . . . . . 301 LEU H . 50920 1 882 . 1 . 1 183 183 LEU C C 13 175.8 0.15 . 1 . . . . . 301 LEU C . 50920 1 883 . 1 . 1 183 183 LEU CA C 13 52.9 0.15 . 1 . . . . . 301 LEU CA . 50920 1 884 . 1 . 1 183 183 LEU CB C 13 45.1 0.15 . 1 . . . . . 301 LEU CB . 50920 1 885 . 1 . 1 183 183 LEU N N 15 128.2 0.15 . 1 . . . . . 301 LEU N . 50920 1 886 . 1 . 1 184 184 GLN H H 1 9.13 0.02 . 1 . . . . . 302 GLN H . 50920 1 887 . 1 . 1 184 184 GLN C C 13 174.6 0.15 . 1 . . . . . 302 GLN C . 50920 1 888 . 1 . 1 184 184 GLN CA C 13 54.8 0.15 . 1 . . . . . 302 GLN CA . 50920 1 889 . 1 . 1 184 184 GLN CB C 13 36.1 0.15 . 1 . . . . . 302 GLN CB . 50920 1 890 . 1 . 1 184 184 GLN N N 15 120.2 0.15 . 1 . . . . . 302 GLN N . 50920 1 891 . 1 . 1 185 185 ARG H H 1 8.91 0.02 . 1 . . . . . 303 ARG H . 50920 1 892 . 1 . 1 185 185 ARG C C 13 176.5 0.15 . 1 . . . . . 303 ARG C . 50920 1 893 . 1 . 1 185 185 ARG CA C 13 53.9 0.15 . 1 . . . . . 303 ARG CA . 50920 1 894 . 1 . 1 185 185 ARG CB C 13 32.1 0.15 . 1 . . . . . 303 ARG CB . 50920 1 895 . 1 . 1 185 185 ARG N N 15 123.0 0.15 . 1 . . . . . 303 ARG N . 50920 1 896 . 1 . 1 186 186 ARG H H 1 8.81 0.02 . 1 . . . . . 304 ARG H . 50920 1 897 . 1 . 1 186 186 ARG C C 13 175.8 0.15 . 1 . . . . . 304 ARG C . 50920 1 898 . 1 . 1 186 186 ARG CA C 13 58.1 0.15 . 1 . . . . . 304 ARG CA . 50920 1 899 . 1 . 1 186 186 ARG CB C 13 30.5 0.15 . 1 . . . . . 304 ARG CB . 50920 1 900 . 1 . 1 186 186 ARG N N 15 123.5 0.15 . 1 . . . . . 304 ARG N . 50920 1 901 . 1 . 1 187 187 SER H H 1 7.08 0.02 . 1 . . . . . 305 SER H . 50920 1 902 . 1 . 1 187 187 SER C C 13 174.4 0.15 . 1 . . . . . 305 SER C . 50920 1 903 . 1 . 1 187 187 SER CA C 13 57.5 0.15 . 1 . . . . . 305 SER CA . 50920 1 904 . 1 . 1 187 187 SER CB C 13 64.7 0.15 . 1 . . . . . 305 SER CB . 50920 1 905 . 1 . 1 187 187 SER N N 15 109.9 0.15 . 1 . . . . . 305 SER N . 50920 1 906 . 1 . 1 188 188 GLU H H 1 8.63 0.02 . 1 . . . . . 306 GLU H . 50920 1 907 . 1 . 1 188 188 GLU C C 13 175.8 0.15 . 1 . . . . . 306 GLU C . 50920 1 908 . 1 . 1 188 188 GLU CA C 13 58.8 0.15 . 1 . . . . . 306 GLU CA . 50920 1 909 . 1 . 1 188 188 GLU CB C 13 29.1 0.15 . 1 . . . . . 306 GLU CB . 50920 1 910 . 1 . 1 188 188 GLU N N 15 118.7 0.15 . 1 . . . . . 306 GLU N . 50920 1 911 . 1 . 1 189 189 ASN H H 1 7.72 0.02 . 1 . . . . . 307 ASN H . 50920 1 912 . 1 . 1 189 189 ASN C C 13 174.6 0.15 . 1 . . . . . 307 ASN C . 50920 1 913 . 1 . 1 189 189 ASN CA C 13 53.1 0.15 . 1 . . . . . 307 ASN CA . 50920 1 914 . 1 . 1 189 189 ASN CB C 13 39.0 0.15 . 1 . . . . . 307 ASN CB . 50920 1 915 . 1 . 1 189 189 ASN N N 15 114.4 0.15 . 1 . . . . . 307 ASN N . 50920 1 916 . 1 . 1 190 190 GLU H H 1 7.14 0.02 . 1 . . . . . 308 GLU H . 50920 1 917 . 1 . 1 190 190 GLU C C 13 175.1 0.15 . 1 . . . . . 308 GLU C . 50920 1 918 . 1 . 1 190 190 GLU CA C 13 55.4 0.15 . 1 . . . . . 308 GLU CA . 50920 1 919 . 1 . 1 190 190 GLU CB C 13 32.5 0.15 . 1 . . . . . 308 GLU CB . 50920 1 920 . 1 . 1 190 190 GLU N N 15 119.0 0.15 . 1 . . . . . 308 GLU N . 50920 1 921 . 1 . 1 191 191 GLU H H 1 8.07 0.02 . 1 . . . . . 309 GLU H . 50920 1 922 . 1 . 1 191 191 GLU C C 13 176.8 0.15 . 1 . . . . . 309 GLU C . 50920 1 923 . 1 . 1 191 191 GLU CA C 13 55.6 0.15 . 1 . . . . . 309 GLU CA . 50920 1 924 . 1 . 1 191 191 GLU CB C 13 30.5 0.15 . 1 . . . . . 309 GLU CB . 50920 1 925 . 1 . 1 191 191 GLU N N 15 118.8 0.15 . 1 . . . . . 309 GLU N . 50920 1 926 . 1 . 1 192 192 PHE H H 1 8.39 0.02 . 1 . . . . . 310 PHE H . 50920 1 927 . 1 . 1 192 192 PHE C C 13 176.4 0.15 . 1 . . . . . 310 PHE C . 50920 1 928 . 1 . 1 192 192 PHE CA C 13 59.8 0.15 . 1 . . . . . 310 PHE CA . 50920 1 929 . 1 . 1 192 192 PHE CB C 13 40.4 0.15 . 1 . . . . . 310 PHE CB . 50920 1 930 . 1 . 1 192 192 PHE N N 15 118.9 0.15 . 1 . . . . . 310 PHE N . 50920 1 931 . 1 . 1 193 193 VAL H H 1 8.69 0.02 . 1 . . . . . 311 VAL H . 50920 1 932 . 1 . 1 193 193 VAL C C 13 175.0 0.15 . 1 . . . . . 311 VAL C . 50920 1 933 . 1 . 1 193 193 VAL CA C 13 60.1 0.15 . 1 . . . . . 311 VAL CA . 50920 1 934 . 1 . 1 193 193 VAL CB C 13 35.0 0.15 . 1 . . . . . 311 VAL CB . 50920 1 935 . 1 . 1 193 193 VAL N N 15 120.5 0.15 . 1 . . . . . 311 VAL N . 50920 1 936 . 1 . 1 194 194 GLU H H 1 8.56 0.02 . 1 . . . . . 312 GLU H . 50920 1 937 . 1 . 1 194 194 GLU C C 13 177.0 0.15 . 1 . . . . . 312 GLU C . 50920 1 938 . 1 . 1 194 194 GLU CA C 13 57.0 0.15 . 1 . . . . . 312 GLU CA . 50920 1 939 . 1 . 1 194 194 GLU CB C 13 29.8 0.15 . 1 . . . . . 312 GLU CB . 50920 1 940 . 1 . 1 194 194 GLU N N 15 125.0 0.15 . 1 . . . . . 312 GLU N . 50920 1 941 . 1 . 1 195 195 VAL H H 1 8.94 0.02 . 1 . . . . . 313 VAL H . 50920 1 942 . 1 . 1 195 195 VAL C C 13 176.2 0.15 . 1 . . . . . 313 VAL C . 50920 1 943 . 1 . 1 195 195 VAL CA C 13 61.0 0.15 . 1 . . . . . 313 VAL CA . 50920 1 944 . 1 . 1 195 195 VAL CB C 13 32.6 0.15 . 1 . . . . . 313 VAL CB . 50920 1 945 . 1 . 1 195 195 VAL N N 15 121.0 0.15 . 1 . . . . . 313 VAL N . 50920 1 946 . 1 . 1 196 196 GLY H H 1 7.44 0.02 . 1 . . . . . 314 GLY H . 50920 1 947 . 1 . 1 196 196 GLY C C 13 170.7 0.15 . 1 . . . . . 314 GLY C . 50920 1 948 . 1 . 1 196 196 GLY CA C 13 45.6 0.15 . 1 . . . . . 314 GLY CA . 50920 1 949 . 1 . 1 196 196 GLY N N 15 109.2 0.15 . 1 . . . . . 314 GLY N . 50920 1 950 . 1 . 1 197 197 ARG H H 1 8.25 0.02 . 1 . . . . . 315 ARG H . 50920 1 951 . 1 . 1 197 197 ARG C C 13 174.4 0.15 . 1 . . . . . 315 ARG C . 50920 1 952 . 1 . 1 197 197 ARG CA C 13 55.1 0.15 . 1 . . . . . 315 ARG CA . 50920 1 953 . 1 . 1 197 197 ARG CB C 13 33.1 0.15 . 1 . . . . . 315 ARG CB . 50920 1 954 . 1 . 1 197 197 ARG N N 15 119.3 0.15 . 1 . . . . . 315 ARG N . 50920 1 955 . 1 . 1 198 198 LEU H H 1 8.77 0.02 . 1 . . . . . 316 LEU H . 50920 1 956 . 1 . 1 198 198 LEU C C 13 176.4 0.15 . 1 . . . . . 316 LEU C . 50920 1 957 . 1 . 1 198 198 LEU CA C 13 53.0 0.15 . 1 . . . . . 316 LEU CA . 50920 1 958 . 1 . 1 198 198 LEU CB C 13 45.7 0.15 . 1 . . . . . 316 LEU CB . 50920 1 959 . 1 . 1 198 198 LEU N N 15 123.5 0.15 . 1 . . . . . 316 LEU N . 50920 1 960 . 1 . 1 199 199 GLY H H 1 9.96 0.02 . 1 . . . . . 317 GLY H . 50920 1 961 . 1 . 1 199 199 GLY C C 13 170.6 0.15 . 1 . . . . . 317 GLY C . 50920 1 962 . 1 . 1 199 199 GLY CA C 13 44.3 0.15 . 1 . . . . . 317 GLY CA . 50920 1 963 . 1 . 1 199 199 GLY N N 15 113.6 0.15 . 1 . . . . . 317 GLY N . 50920 1 964 . 1 . 1 200 200 PRO C C 13 178.4 0.15 . 1 . . . . . 318 PRO C . 50920 1 965 . 1 . 1 200 200 PRO CA C 13 64.3 0.15 . 1 . . . . . 318 PRO CA . 50920 1 966 . 1 . 1 200 200 PRO CB C 13 31.7 0.15 . 1 . . . . . 318 PRO CB . 50920 1 967 . 1 . 1 201 201 SER H H 1 9.44 0.02 . 1 . . . . . 319 SER H . 50920 1 968 . 1 . 1 201 201 SER C C 13 172.8 0.15 . 1 . . . . . 319 SER C . 50920 1 969 . 1 . 1 201 201 SER CA C 13 62.7 0.15 . 1 . . . . . 319 SER CA . 50920 1 970 . 1 . 1 201 201 SER N N 15 118.6 0.15 . 1 . . . . . 319 SER N . 50920 1 971 . 1 . 1 202 202 ASP H H 1 8.46 0.02 . 1 . . . . . 320 ASP H . 50920 1 972 . 1 . 1 202 202 ASP C C 13 174.2 0.15 . 1 . . . . . 320 ASP C . 50920 1 973 . 1 . 1 202 202 ASP CA C 13 55.0 0.15 . 1 . . . . . 320 ASP CA . 50920 1 974 . 1 . 1 202 202 ASP CB C 13 42.5 0.15 . 1 . . . . . 320 ASP CB . 50920 1 975 . 1 . 1 202 202 ASP N N 15 120.4 0.15 . 1 . . . . . 320 ASP N . 50920 1 976 . 1 . 1 203 203 TYR H H 1 7.67 0.02 . 1 . . . . . 321 TYR H . 50920 1 977 . 1 . 1 203 203 TYR C C 13 174.1 0.15 . 1 . . . . . 321 TYR C . 50920 1 978 . 1 . 1 203 203 TYR CA C 13 54.5 0.15 . 1 . . . . . 321 TYR CA . 50920 1 979 . 1 . 1 203 203 TYR CB C 13 43.5 0.15 . 1 . . . . . 321 TYR CB . 50920 1 980 . 1 . 1 203 203 TYR N N 15 114.5 0.15 . 1 . . . . . 321 TYR N . 50920 1 981 . 1 . 1 204 204 PHE H H 1 8.63 0.02 . 1 . . . . . 322 PHE H . 50920 1 982 . 1 . 1 204 204 PHE C C 13 173.3 0.15 . 1 . . . . . 322 PHE C . 50920 1 983 . 1 . 1 204 204 PHE CA C 13 56.8 0.15 . 1 . . . . . 322 PHE CA . 50920 1 984 . 1 . 1 204 204 PHE CB C 13 40.4 0.15 . 1 . . . . . 322 PHE CB . 50920 1 985 . 1 . 1 204 204 PHE N N 15 110.2 0.15 . 1 . . . . . 322 PHE N . 50920 1 986 . 1 . 1 205 205 GLY H H 1 9.22 0.02 . 1 . . . . . 323 GLY H . 50920 1 987 . 1 . 1 205 205 GLY C C 13 173.6 0.15 . 1 . . . . . 323 GLY C . 50920 1 988 . 1 . 1 205 205 GLY CA C 13 44.7 0.15 . 1 . . . . . 323 GLY CA . 50920 1 989 . 1 . 1 205 205 GLY N N 15 106.3 0.15 . 1 . . . . . 323 GLY N . 50920 1 990 . 1 . 1 206 206 GLU H H 1 10.90 0.02 . 1 . . . . . 324 GLU H . 50920 1 991 . 1 . 1 206 206 GLU C C 13 176.9 0.15 . 1 . . . . . 324 GLU C . 50920 1 992 . 1 . 1 206 206 GLU CA C 13 57.0 0.15 . 1 . . . . . 324 GLU CA . 50920 1 993 . 1 . 1 206 206 GLU CB C 13 28.6 0.15 . 1 . . . . . 324 GLU CB . 50920 1 994 . 1 . 1 206 206 GLU N N 15 119.6 0.15 . 1 . . . . . 324 GLU N . 50920 1 995 . 1 . 1 207 207 ILE H H 1 7.29 0.02 . 1 . . . . . 325 ILE H . 50920 1 996 . 1 . 1 207 207 ILE C C 13 178.2 0.15 . 1 . . . . . 325 ILE C . 50920 1 997 . 1 . 1 207 207 ILE CA C 13 67.2 0.15 . 1 . . . . . 325 ILE CA . 50920 1 998 . 1 . 1 207 207 ILE CB C 13 35.9 0.15 . 1 . . . . . 325 ILE CB . 50920 1 999 . 1 . 1 207 207 ILE N N 15 123.1 0.15 . 1 . . . . . 325 ILE N . 50920 1 1000 . 1 . 1 208 208 ALA H H 1 8.57 0.02 . 1 . . . . . 326 ALA H . 50920 1 1001 . 1 . 1 208 208 ALA C C 13 180.1 0.15 . 1 . . . . . 326 ALA C . 50920 1 1002 . 1 . 1 208 208 ALA CA C 13 55.4 0.15 . 1 . . . . . 326 ALA CA . 50920 1 1003 . 1 . 1 208 208 ALA CB C 13 19.8 0.15 . 1 . . . . . 326 ALA CB . 50920 1 1004 . 1 . 1 208 208 ALA N N 15 121.0 0.15 . 1 . . . . . 326 ALA N . 50920 1 1005 . 1 . 1 209 209 LEU H H 1 6.00 0.02 . 1 . . . . . 327 LEU H . 50920 1 1006 . 1 . 1 209 209 LEU C C 13 178.3 0.15 . 1 . . . . . 327 LEU C . 50920 1 1007 . 1 . 1 209 209 LEU CA C 13 56.7 0.15 . 1 . . . . . 327 LEU CA . 50920 1 1008 . 1 . 1 209 209 LEU CB C 13 42.7 0.15 . 1 . . . . . 327 LEU CB . 50920 1 1009 . 1 . 1 209 209 LEU N N 15 113.8 0.15 . 1 . . . . . 327 LEU N . 50920 1 1010 . 1 . 1 210 210 LEU H H 1 7.98 0.02 . 1 . . . . . 328 LEU H . 50920 1 1011 . 1 . 1 210 210 LEU C C 13 178.5 0.15 . 1 . . . . . 328 LEU C . 50920 1 1012 . 1 . 1 210 210 LEU CA C 13 56.6 0.15 . 1 . . . . . 328 LEU CA . 50920 1 1013 . 1 . 1 210 210 LEU CB C 13 43.2 0.15 . 1 . . . . . 328 LEU CB . 50920 1 1014 . 1 . 1 210 210 LEU N N 15 116.8 0.15 . 1 . . . . . 328 LEU N . 50920 1 1015 . 1 . 1 211 211 MET H H 1 8.26 0.02 . 1 . . . . . 329 MET H . 50920 1 1016 . 1 . 1 211 211 MET C C 13 175.6 0.15 . 1 . . . . . 329 MET C . 50920 1 1017 . 1 . 1 211 211 MET CA C 13 54.7 0.15 . 1 . . . . . 329 MET CA . 50920 1 1018 . 1 . 1 211 211 MET CB C 13 32.3 0.15 . 1 . . . . . 329 MET CB . 50920 1 1019 . 1 . 1 211 211 MET N N 15 113.0 0.15 . 1 . . . . . 329 MET N . 50920 1 1020 . 1 . 1 212 212 ASN H H 1 7.34 0.02 . 1 . . . . . 330 ASN H . 50920 1 1021 . 1 . 1 212 212 ASN C C 13 173.5 0.15 . 1 . . . . . 330 ASN C . 50920 1 1022 . 1 . 1 212 212 ASN CA C 13 54.4 0.15 . 1 . . . . . 330 ASN CA . 50920 1 1023 . 1 . 1 212 212 ASN CB C 13 36.7 0.15 . 1 . . . . . 330 ASN CB . 50920 1 1024 . 1 . 1 212 212 ASN N N 15 117.9 0.15 . 1 . . . . . 330 ASN N . 50920 1 1025 . 1 . 1 213 213 ARG H H 1 7.30 0.02 . 1 . . . . . 331 ARG H . 50920 1 1026 . 1 . 1 213 213 ARG C C 13 173.3 0.15 . 1 . . . . . 331 ARG C . 50920 1 1027 . 1 . 1 213 213 ARG CA C 13 53.4 0.15 . 1 . . . . . 331 ARG CA . 50920 1 1028 . 1 . 1 213 213 ARG CB C 13 30.7 0.15 . 1 . . . . . 331 ARG CB . 50920 1 1029 . 1 . 1 213 213 ARG N N 15 115.9 0.15 . 1 . . . . . 331 ARG N . 50920 1 1030 . 1 . 1 214 214 PRO C C 13 176.2 0.15 . 1 . . . . . 332 PRO C . 50920 1 1031 . 1 . 1 214 214 PRO CA C 13 62.0 0.15 . 1 . . . . . 332 PRO CA . 50920 1 1032 . 1 . 1 214 214 PRO CB C 13 32.0 0.15 . 1 . . . . . 332 PRO CB . 50920 1 1033 . 1 . 1 215 215 ARG H H 1 8.83 0.02 . 1 . . . . . 333 ARG H . 50920 1 1034 . 1 . 1 215 215 ARG C C 13 179.2 0.15 . 1 . . . . . 333 ARG C . 50920 1 1035 . 1 . 1 215 215 ARG CA C 13 55.2 0.15 . 1 . . . . . 333 ARG CA . 50920 1 1036 . 1 . 1 215 215 ARG CB C 13 30.9 0.15 . 1 . . . . . 333 ARG CB . 50920 1 1037 . 1 . 1 215 215 ARG N N 15 115.7 0.15 . 1 . . . . . 333 ARG N . 50920 1 1038 . 1 . 1 216 216 ALA H H 1 10.80 0.02 . 1 . . . . . 334 ALA H . 50920 1 1039 . 1 . 1 216 216 ALA C C 13 175.2 0.15 . 1 . . . . . 334 ALA C . 50920 1 1040 . 1 . 1 216 216 ALA CA C 13 52.5 0.15 . 1 . . . . . 334 ALA CA . 50920 1 1041 . 1 . 1 216 216 ALA CB C 13 19.3 0.15 . 1 . . . . . 334 ALA CB . 50920 1 1042 . 1 . 1 216 216 ALA N N 15 128.6 0.15 . 1 . . . . . 334 ALA N . 50920 1 1043 . 1 . 1 217 217 ALA H H 1 7.28 0.02 . 1 . . . . . 335 ALA H . 50920 1 1044 . 1 . 1 217 217 ALA C C 13 173.9 0.15 . 1 . . . . . 335 ALA C . 50920 1 1045 . 1 . 1 217 217 ALA CA C 13 51.1 0.15 . 1 . . . . . 335 ALA CA . 50920 1 1046 . 1 . 1 217 217 ALA CB C 13 21.3 0.15 . 1 . . . . . 335 ALA CB . 50920 1 1047 . 1 . 1 217 217 ALA N N 15 115.8 0.15 . 1 . . . . . 335 ALA N . 50920 1 1048 . 1 . 1 218 218 THR H H 1 8.85 0.02 . 1 . . . . . 336 THR H . 50920 1 1049 . 1 . 1 218 218 THR C C 13 173.3 0.15 . 1 . . . . . 336 THR C . 50920 1 1050 . 1 . 1 218 218 THR CA C 13 60.2 0.15 . 1 . . . . . 336 THR CA . 50920 1 1051 . 1 . 1 218 218 THR CB C 13 71.2 0.15 . 1 . . . . . 336 THR CB . 50920 1 1052 . 1 . 1 218 218 THR N N 15 116.4 0.15 . 1 . . . . . 336 THR N . 50920 1 1053 . 1 . 1 219 219 VAL H H 1 7.87 0.02 . 1 . . . . . 337 VAL H . 50920 1 1054 . 1 . 1 219 219 VAL C C 13 174.2 0.15 . 1 . . . . . 337 VAL C . 50920 1 1055 . 1 . 1 219 219 VAL CA C 13 60.8 0.15 . 1 . . . . . 337 VAL CA . 50920 1 1056 . 1 . 1 219 219 VAL CB C 13 33.0 0.15 . 1 . . . . . 337 VAL CB . 50920 1 1057 . 1 . 1 219 219 VAL N N 15 126.1 0.15 . 1 . . . . . 337 VAL N . 50920 1 1058 . 1 . 1 220 220 VAL H H 1 8.63 0.02 . 1 . . . . . 338 VAL H . 50920 1 1059 . 1 . 1 220 220 VAL C C 13 174.1 0.15 . 1 . . . . . 338 VAL C . 50920 1 1060 . 1 . 1 220 220 VAL CA C 13 58.5 0.15 . 1 . . . . . 338 VAL CA . 50920 1 1061 . 1 . 1 220 220 VAL CB C 13 35.6 0.15 . 1 . . . . . 338 VAL CB . 50920 1 1062 . 1 . 1 220 220 VAL N N 15 125.7 0.15 . 1 . . . . . 338 VAL N . 50920 1 1063 . 1 . 1 221 221 ALA H H 1 7.74 0.02 . 1 . . . . . 339 ALA H . 50920 1 1064 . 1 . 1 221 221 ALA C C 13 177.5 0.15 . 1 . . . . . 339 ALA C . 50920 1 1065 . 1 . 1 221 221 ALA CA C 13 53.6 0.15 . 1 . . . . . 339 ALA CA . 50920 1 1066 . 1 . 1 221 221 ALA CB C 13 18.9 0.15 . 1 . . . . . 339 ALA CB . 50920 1 1067 . 1 . 1 221 221 ALA N N 15 128.9 0.15 . 1 . . . . . 339 ALA N . 50920 1 1068 . 1 . 1 222 222 ARG H H 1 8.29 0.02 . 1 . . . . . 340 ARG H . 50920 1 1069 . 1 . 1 222 222 ARG C C 13 176.1 0.15 . 1 . . . . . 340 ARG C . 50920 1 1070 . 1 . 1 222 222 ARG CA C 13 54.0 0.15 . 1 . . . . . 340 ARG CA . 50920 1 1071 . 1 . 1 222 222 ARG CB C 13 28.8 0.15 . 1 . . . . . 340 ARG CB . 50920 1 1072 . 1 . 1 222 222 ARG N N 15 128.2 0.15 . 1 . . . . . 340 ARG N . 50920 1 1073 . 1 . 1 223 223 GLY H H 1 8.89 0.02 . 1 . . . . . 341 GLY H . 50920 1 1074 . 1 . 1 223 223 GLY C C 13 168.2 0.15 . 1 . . . . . 341 GLY C . 50920 1 1075 . 1 . 1 223 223 GLY CA C 13 44.1 0.15 . 1 . . . . . 341 GLY CA . 50920 1 1076 . 1 . 1 223 223 GLY N N 15 115.2 0.15 . 1 . . . . . 341 GLY N . 50920 1 1077 . 1 . 1 224 224 PRO C C 13 178.0 0.15 . 1 . . . . . 342 PRO C . 50920 1 1078 . 1 . 1 224 224 PRO CA C 13 63.3 0.15 . 1 . . . . . 342 PRO CA . 50920 1 1079 . 1 . 1 224 224 PRO CB C 13 31.4 0.15 . 1 . . . . . 342 PRO CB . 50920 1 1080 . 1 . 1 225 225 LEU H H 1 8.35 0.02 . 1 . . . . . 343 LEU H . 50920 1 1081 . 1 . 1 225 225 LEU C C 13 174.9 0.15 . 1 . . . . . 343 LEU C . 50920 1 1082 . 1 . 1 225 225 LEU CA C 13 54.3 0.15 . 1 . . . . . 343 LEU CA . 50920 1 1083 . 1 . 1 225 225 LEU CB C 13 47.4 0.15 . 1 . . . . . 343 LEU CB . 50920 1 1084 . 1 . 1 225 225 LEU N N 15 126.7 0.15 . 1 . . . . . 343 LEU N . 50920 1 1085 . 1 . 1 226 226 LYS H H 1 8.98 0.02 . 1 . . . . . 344 LYS H . 50920 1 1086 . 1 . 1 226 226 LYS C C 13 176.5 0.15 . 1 . . . . . 344 LYS C . 50920 1 1087 . 1 . 1 226 226 LYS CA C 13 55.9 0.15 . 1 . . . . . 344 LYS CA . 50920 1 1088 . 1 . 1 226 226 LYS CB C 13 34.6 0.15 . 1 . . . . . 344 LYS CB . 50920 1 1089 . 1 . 1 226 226 LYS N N 15 126.5 0.15 . 1 . . . . . 344 LYS N . 50920 1 1090 . 1 . 1 227 227 CYS H H 1 9.03 0.02 . 1 . . . . . 345 CYS H . 50920 1 1091 . 1 . 1 227 227 CYS C C 13 173.9 0.15 . 1 . . . . . 345 CYS C . 50920 1 1092 . 1 . 1 227 227 CYS CA C 13 57.2 0.15 . 1 . . . . . 345 CYS CA . 50920 1 1093 . 1 . 1 227 227 CYS CB C 13 33.4 0.15 . 1 . . . . . 345 CYS CB . 50920 1 1094 . 1 . 1 227 227 CYS N N 15 119.6 0.15 . 1 . . . . . 345 CYS N . 50920 1 1095 . 1 . 1 228 228 VAL H H 1 8.90 0.02 . 1 . . . . . 346 VAL H . 50920 1 1096 . 1 . 1 228 228 VAL C C 13 174.2 0.15 . 1 . . . . . 346 VAL C . 50920 1 1097 . 1 . 1 228 228 VAL CA C 13 59.8 0.15 . 1 . . . . . 346 VAL CA . 50920 1 1098 . 1 . 1 228 228 VAL CB C 13 34.3 0.15 . 1 . . . . . 346 VAL CB . 50920 1 1099 . 1 . 1 228 228 VAL N N 15 114.1 0.15 . 1 . . . . . 346 VAL N . 50920 1 1100 . 1 . 1 229 229 LYS H H 1 9.04 0.02 . 1 . . . . . 347 LYS H . 50920 1 1101 . 1 . 1 229 229 LYS C C 13 175.4 0.15 . 1 . . . . . 347 LYS C . 50920 1 1102 . 1 . 1 229 229 LYS CA C 13 53.5 0.15 . 1 . . . . . 347 LYS CA . 50920 1 1103 . 1 . 1 229 229 LYS CB C 13 37.6 0.15 . 1 . . . . . 347 LYS CB . 50920 1 1104 . 1 . 1 229 229 LYS N N 15 119.8 0.15 . 1 . . . . . 347 LYS N . 50920 1 1105 . 1 . 1 230 230 LEU H H 1 8.45 0.02 . 1 . . . . . 348 LEU H . 50920 1 1106 . 1 . 1 230 230 LEU C C 13 175.7 0.15 . 1 . . . . . 348 LEU C . 50920 1 1107 . 1 . 1 230 230 LEU CA C 13 53.5 0.15 . 1 . . . . . 348 LEU CA . 50920 1 1108 . 1 . 1 230 230 LEU CB C 13 46.8 0.15 . 1 . . . . . 348 LEU CB . 50920 1 1109 . 1 . 1 230 230 LEU N N 15 119.2 0.15 . 1 . . . . . 348 LEU N . 50920 1 1110 . 1 . 1 231 231 ASP H H 1 7.10 0.02 . 1 . . . . . 349 ASP H . 50920 1 1111 . 1 . 1 231 231 ASP C C 13 176.1 0.15 . 1 . . . . . 349 ASP C . 50920 1 1112 . 1 . 1 231 231 ASP CA C 13 52.5 0.15 . 1 . . . . . 349 ASP CA . 50920 1 1113 . 1 . 1 231 231 ASP CB C 13 40.6 0.15 . 1 . . . . . 349 ASP CB . 50920 1 1114 . 1 . 1 231 231 ASP N N 15 120.2 0.15 . 1 . . . . . 349 ASP N . 50920 1 1115 . 1 . 1 232 232 ARG H H 1 7.71 0.02 . 1 . . . . . 350 ARG H . 50920 1 1116 . 1 . 1 232 232 ARG C C 13 174.0 0.15 . 1 . . . . . 350 ARG C . 50920 1 1117 . 1 . 1 232 232 ARG CA C 13 62.4 0.15 . 1 . . . . . 350 ARG CA . 50920 1 1118 . 1 . 1 232 232 ARG CB C 13 27.7 0.15 . 1 . . . . . 350 ARG CB . 50920 1 1119 . 1 . 1 232 232 ARG N N 15 118.6 0.15 . 1 . . . . . 350 ARG N . 50920 1 1120 . 1 . 1 233 233 PRO C C 13 181.0 0.15 . 1 . . . . . 351 PRO C . 50920 1 1121 . 1 . 1 233 233 PRO CA C 13 65.9 0.15 . 1 . . . . . 351 PRO CA . 50920 1 1122 . 1 . 1 233 233 PRO CB C 13 30.4 0.15 . 1 . . . . . 351 PRO CB . 50920 1 1123 . 1 . 1 234 234 ARG H H 1 7.45 0.02 . 1 . . . . . 352 ARG H . 50920 1 1124 . 1 . 1 234 234 ARG C C 13 177.7 0.15 . 1 . . . . . 352 ARG C . 50920 1 1125 . 1 . 1 234 234 ARG CA C 13 60.2 0.15 . 1 . . . . . 352 ARG CA . 50920 1 1126 . 1 . 1 234 234 ARG CB C 13 30.7 0.15 . 1 . . . . . 352 ARG CB . 50920 1 1127 . 1 . 1 234 234 ARG N N 15 116.5 0.15 . 1 . . . . . 352 ARG N . 50920 1 1128 . 1 . 1 235 235 PHE H H 1 9.10 0.02 . 1 . . . . . 353 PHE H . 50920 1 1129 . 1 . 1 235 235 PHE C C 13 176.7 0.15 . 1 . . . . . 353 PHE C . 50920 1 1130 . 1 . 1 235 235 PHE CA C 13 62.2 0.15 . 1 . . . . . 353 PHE CA . 50920 1 1131 . 1 . 1 235 235 PHE CB C 13 39.3 0.15 . 1 . . . . . 353 PHE CB . 50920 1 1132 . 1 . 1 235 235 PHE N N 15 121.3 0.15 . 1 . . . . . 353 PHE N . 50920 1 1133 . 1 . 1 236 236 GLU H H 1 8.47 0.02 . 1 . . . . . 354 GLU H . 50920 1 1134 . 1 . 1 236 236 GLU C C 13 178.0 0.15 . 1 . . . . . 354 GLU C . 50920 1 1135 . 1 . 1 236 236 GLU CA C 13 59.1 0.15 . 1 . . . . . 354 GLU CA . 50920 1 1136 . 1 . 1 236 236 GLU CB C 13 29.3 0.15 . 1 . . . . . 354 GLU CB . 50920 1 1137 . 1 . 1 236 236 GLU N N 15 116.6 0.15 . 1 . . . . . 354 GLU N . 50920 1 1138 . 1 . 1 237 237 ARG H H 1 7.23 0.02 . 1 . . . . . 355 ARG H . 50920 1 1139 . 1 . 1 237 237 ARG C C 13 178.7 0.15 . 1 . . . . . 355 ARG C . 50920 1 1140 . 1 . 1 237 237 ARG CA C 13 59.2 0.15 . 1 . . . . . 355 ARG CA . 50920 1 1141 . 1 . 1 237 237 ARG CB C 13 31.0 0.15 . 1 . . . . . 355 ARG CB . 50920 1 1142 . 1 . 1 237 237 ARG N N 15 116.6 0.15 . 1 . . . . . 355 ARG N . 50920 1 1143 . 1 . 1 238 238 VAL H H 1 8.40 0.02 . 1 . . . . . 356 VAL H . 50920 1 1144 . 1 . 1 238 238 VAL C C 13 176.1 0.15 . 1 . . . . . 356 VAL C . 50920 1 1145 . 1 . 1 238 238 VAL CA C 13 62.9 0.15 . 1 . . . . . 356 VAL CA . 50920 1 1146 . 1 . 1 238 238 VAL CB C 13 31.2 0.15 . 1 . . . . . 356 VAL CB . 50920 1 1147 . 1 . 1 238 238 VAL N N 15 110.3 0.15 . 1 . . . . . 356 VAL N . 50920 1 1148 . 1 . 1 239 239 LEU H H 1 7.13 0.02 . 1 . . . . . 357 LEU H . 50920 1 1149 . 1 . 1 239 239 LEU C C 13 178.0 0.15 . 1 . . . . . 357 LEU C . 50920 1 1150 . 1 . 1 239 239 LEU CA C 13 53.1 0.15 . 1 . . . . . 357 LEU CA . 50920 1 1151 . 1 . 1 239 239 LEU CB C 13 39.4 0.15 . 1 . . . . . 357 LEU CB . 50920 1 1152 . 1 . 1 239 239 LEU N N 15 115.2 0.15 . 1 . . . . . 357 LEU N . 50920 1 1153 . 1 . 1 240 240 GLY H H 1 6.86 0.02 . 1 . . . . . 358 GLY H . 50920 1 1154 . 1 . 1 240 240 GLY C C 13 175.6 0.15 . 1 . . . . . 358 GLY C . 50920 1 1155 . 1 . 1 240 240 GLY CA C 13 49.1 0.15 . 1 . . . . . 358 GLY CA . 50920 1 1156 . 1 . 1 240 240 GLY N N 15 110.2 0.15 . 1 . . . . . 358 GLY N . 50920 1 1157 . 1 . 1 241 241 PRO C C 13 177.3 0.15 . 1 . . . . . 359 PRO C . 50920 1 1158 . 1 . 1 241 241 PRO CA C 13 64.8 0.15 . 1 . . . . . 359 PRO CA . 50920 1 1159 . 1 . 1 241 241 PRO CB C 13 32.0 0.15 . 1 . . . . . 359 PRO CB . 50920 1 1160 . 1 . 1 242 242 CYS H H 1 7.47 0.02 . 1 . . . . . 360 CYS H . 50920 1 1161 . 1 . 1 242 242 CYS C C 13 174.8 0.15 . 1 . . . . . 360 CYS C . 50920 1 1162 . 1 . 1 242 242 CYS CA C 13 57.2 0.15 . 1 . . . . . 360 CYS CA . 50920 1 1163 . 1 . 1 242 242 CYS CB C 13 27.9 0.15 . 1 . . . . . 360 CYS CB . 50920 1 1164 . 1 . 1 242 242 CYS N N 15 112.0 0.15 . 1 . . . . . 360 CYS N . 50920 1 1165 . 1 . 1 243 243 SER H H 1 7.70 0.02 . 1 . . . . . 361 SER H . 50920 1 1166 . 1 . 1 243 243 SER C C 13 175.6 0.15 . 1 . . . . . 361 SER C . 50920 1 1167 . 1 . 1 243 243 SER CA C 13 63.1 0.15 . 1 . . . . . 361 SER CA . 50920 1 1168 . 1 . 1 243 243 SER N N 15 118.3 0.15 . 1 . . . . . 361 SER N . 50920 1 1169 . 1 . 1 244 244 ASP H H 1 8.35 0.02 . 1 . . . . . 362 ASP H . 50920 1 1170 . 1 . 1 244 244 ASP C C 13 178.9 0.15 . 1 . . . . . 362 ASP C . 50920 1 1171 . 1 . 1 244 244 ASP CA C 13 58.1 0.15 . 1 . . . . . 362 ASP CA . 50920 1 1172 . 1 . 1 244 244 ASP CB C 13 40.1 0.15 . 1 . . . . . 362 ASP CB . 50920 1 1173 . 1 . 1 244 244 ASP N N 15 120.5 0.15 . 1 . . . . . 362 ASP N . 50920 1 1174 . 1 . 1 245 245 ILE H H 1 7.58 0.02 . 1 . . . . . 363 ILE H . 50920 1 1175 . 1 . 1 245 245 ILE C C 13 178.0 0.15 . 1 . . . . . 363 ILE C . 50920 1 1176 . 1 . 1 245 245 ILE CA C 13 64.0 0.15 . 1 . . . . . 363 ILE CA . 50920 1 1177 . 1 . 1 245 245 ILE CB C 13 37.9 0.15 . 1 . . . . . 363 ILE CB . 50920 1 1178 . 1 . 1 245 245 ILE N N 15 121.4 0.15 . 1 . . . . . 363 ILE N . 50920 1 1179 . 1 . 1 246 246 LEU H H 1 7.71 0.02 . 1 . . . . . 364 LEU H . 50920 1 1180 . 1 . 1 246 246 LEU C C 13 180.5 0.15 . 1 . . . . . 364 LEU C . 50920 1 1181 . 1 . 1 246 246 LEU CA C 13 58.2 0.15 . 1 . . . . . 364 LEU CA . 50920 1 1182 . 1 . 1 246 246 LEU CB C 13 43.0 0.15 . 1 . . . . . 364 LEU CB . 50920 1 1183 . 1 . 1 246 246 LEU N N 15 119.8 0.15 . 1 . . . . . 364 LEU N . 50920 1 1184 . 1 . 1 247 247 LYS H H 1 8.25 0.02 . 1 . . . . . 365 LYS H . 50920 1 1185 . 1 . 1 247 247 LYS C C 13 179.5 0.15 . 1 . . . . . 365 LYS C . 50920 1 1186 . 1 . 1 247 247 LYS CA C 13 60.5 0.15 . 1 . . . . . 365 LYS CA . 50920 1 1187 . 1 . 1 247 247 LYS CB C 13 32.2 0.15 . 1 . . . . . 365 LYS CB . 50920 1 1188 . 1 . 1 247 247 LYS N N 15 118.5 0.15 . 1 . . . . . 365 LYS N . 50920 1 1189 . 1 . 1 248 248 ARG H H 1 7.97 0.02 . 1 . . . . . 366 ARG H . 50920 1 1190 . 1 . 1 248 248 ARG C C 13 179.7 0.15 . 1 . . . . . 366 ARG C . 50920 1 1191 . 1 . 1 248 248 ARG CA C 13 59.5 0.15 . 1 . . . . . 366 ARG CA . 50920 1 1192 . 1 . 1 248 248 ARG CB C 13 29.6 0.15 . 1 . . . . . 366 ARG CB . 50920 1 1193 . 1 . 1 248 248 ARG N N 15 121.4 0.15 . 1 . . . . . 366 ARG N . 50920 1 1194 . 1 . 1 249 249 ASN H H 1 7.93 0.02 . 1 . . . . . 367 ASN H . 50920 1 1195 . 1 . 1 249 249 ASN C C 13 178.2 0.15 . 1 . . . . . 367 ASN C . 50920 1 1196 . 1 . 1 249 249 ASN CA C 13 54.9 0.15 . 1 . . . . . 367 ASN CA . 50920 1 1197 . 1 . 1 249 249 ASN CB C 13 37.4 0.15 . 1 . . . . . 367 ASN CB . 50920 1 1198 . 1 . 1 249 249 ASN N N 15 118.0 0.15 . 1 . . . . . 367 ASN N . 50920 1 1199 . 1 . 1 250 250 ILE H H 1 7.46 0.02 . 1 . . . . . 368 ILE H . 50920 1 1200 . 1 . 1 250 250 ILE C C 13 177.7 0.15 . 1 . . . . . 368 ILE C . 50920 1 1201 . 1 . 1 250 250 ILE CA C 13 64.5 0.15 . 1 . . . . . 368 ILE CA . 50920 1 1202 . 1 . 1 250 250 ILE CB C 13 37.7 0.15 . 1 . . . . . 368 ILE CB . 50920 1 1203 . 1 . 1 250 250 ILE N N 15 123.1 0.15 . 1 . . . . . 368 ILE N . 50920 1 1204 . 1 . 1 251 251 GLN H H 1 7.02 0.02 . 1 . . . . . 369 GLN H . 50920 1 1205 . 1 . 1 251 251 GLN C C 13 176.3 0.15 . 1 . . . . . 369 GLN C . 50920 1 1206 . 1 . 1 251 251 GLN CA C 13 57.1 0.15 . 1 . . . . . 369 GLN CA . 50920 1 1207 . 1 . 1 251 251 GLN CB C 13 28.3 0.15 . 1 . . . . . 369 GLN CB . 50920 1 1208 . 1 . 1 251 251 GLN N N 15 114.6 0.15 . 1 . . . . . 369 GLN N . 50920 1 1209 . 1 . 1 252 252 GLN H H 1 7.06 0.02 . 1 . . . . . 370 GLN H . 50920 1 1210 . 1 . 1 252 252 GLN C C 13 177.2 0.15 . 1 . . . . . 370 GLN C . 50920 1 1211 . 1 . 1 252 252 GLN CA C 13 55.5 0.15 . 1 . . . . . 370 GLN CA . 50920 1 1212 . 1 . 1 252 252 GLN CB C 13 28.7 0.15 . 1 . . . . . 370 GLN CB . 50920 1 1213 . 1 . 1 252 252 GLN N N 15 114.5 0.15 . 1 . . . . . 370 GLN N . 50920 1 1214 . 1 . 1 253 253 TYR H H 1 6.76 0.02 . 1 . . . . . 371 TYR H . 50920 1 1215 . 1 . 1 253 253 TYR C C 13 176.7 0.15 . 1 . . . . . 371 TYR C . 50920 1 1216 . 1 . 1 253 253 TYR CA C 13 58.3 0.15 . 1 . . . . . 371 TYR CA . 50920 1 1217 . 1 . 1 253 253 TYR CB C 13 37.4 0.15 . 1 . . . . . 371 TYR CB . 50920 1 1218 . 1 . 1 253 253 TYR N N 15 117.9 0.15 . 1 . . . . . 371 TYR N . 50920 1 1219 . 1 . 1 254 254 ASN H H 1 8.73 0.02 . 1 . . . . . 372 ASN H . 50920 1 1220 . 1 . 1 254 254 ASN C C 13 174.6 0.15 . 1 . . . . . 372 ASN C . 50920 1 1221 . 1 . 1 254 254 ASN CA C 13 53.0 0.15 . 1 . . . . . 372 ASN CA . 50920 1 1222 . 1 . 1 254 254 ASN CB C 13 37.7 0.15 . 1 . . . . . 372 ASN CB . 50920 1 1223 . 1 . 1 254 254 ASN N N 15 121.6 0.15 . 1 . . . . . 372 ASN N . 50920 1 1224 . 1 . 1 255 255 SER H H 1 8.09 0.02 . 1 . . . . . 373 SER H . 50920 1 1225 . 1 . 1 255 255 SER C C 13 176.1 0.15 . 1 . . . . . 373 SER C . 50920 1 1226 . 1 . 1 255 255 SER CA C 13 56.1 0.15 . 1 . . . . . 373 SER CA . 50920 1 1227 . 1 . 1 255 255 SER CB C 13 65.3 0.15 . 1 . . . . . 373 SER CB . 50920 1 1228 . 1 . 1 255 255 SER N N 15 118.1 0.15 . 1 . . . . . 373 SER N . 50920 1 1229 . 1 . 1 256 256 PHE H H 1 9.28 0.02 . 1 . . . . . 374 PHE H . 50920 1 1230 . 1 . 1 256 256 PHE C C 13 176.3 0.15 . 1 . . . . . 374 PHE C . 50920 1 1231 . 1 . 1 256 256 PHE CA C 13 58.5 0.15 . 1 . . . . . 374 PHE CA . 50920 1 1232 . 1 . 1 256 256 PHE CB C 13 39.2 0.15 . 1 . . . . . 374 PHE CB . 50920 1 1233 . 1 . 1 256 256 PHE N N 15 126.9 0.15 . 1 . . . . . 374 PHE N . 50920 1 1234 . 1 . 1 257 257 VAL H H 1 7.42 0.02 . 1 . . . . . 375 VAL H . 50920 1 1235 . 1 . 1 257 257 VAL C C 13 176.3 0.15 . 1 . . . . . 375 VAL C . 50920 1 1236 . 1 . 1 257 257 VAL CA C 13 60.9 0.15 . 1 . . . . . 375 VAL CA . 50920 1 1237 . 1 . 1 257 257 VAL CB C 13 33.6 0.15 . 1 . . . . . 375 VAL CB . 50920 1 1238 . 1 . 1 257 257 VAL N N 15 117.6 0.15 . 1 . . . . . 375 VAL N . 50920 1 1239 . 1 . 1 258 258 SER H H 1 8.53 0.02 . 1 . . . . . 376 SER H . 50920 1 1240 . 1 . 1 258 258 SER C C 13 175.3 0.15 . 1 . . . . . 376 SER C . 50920 1 1241 . 1 . 1 258 258 SER CA C 13 59.3 0.15 . 1 . . . . . 376 SER CA . 50920 1 1242 . 1 . 1 258 258 SER CB C 13 63.0 0.15 . 1 . . . . . 376 SER CB . 50920 1 1243 . 1 . 1 258 258 SER N N 15 121.1 0.15 . 1 . . . . . 376 SER N . 50920 1 1244 . 1 . 1 259 259 LEU H H 1 8.51 0.02 . 1 . . . . . 377 LEU H . 50920 1 1245 . 1 . 1 259 259 LEU C C 13 176.6 0.15 . 1 . . . . . 377 LEU C . 50920 1 1246 . 1 . 1 259 259 LEU CA C 13 54.4 0.15 . 1 . . . . . 377 LEU CA . 50920 1 1247 . 1 . 1 259 259 LEU CB C 13 42.0 0.15 . 1 . . . . . 377 LEU CB . 50920 1 1248 . 1 . 1 259 259 LEU N N 15 127.1 0.15 . 1 . . . . . 377 LEU N . 50920 1 1249 . 1 . 1 260 260 SER H H 1 7.68 0.02 . 1 . . . . . 378 SER H . 50920 1 1250 . 1 . 1 260 260 SER C C 13 173.8 0.15 . 1 . . . . . 378 SER C . 50920 1 1251 . 1 . 1 260 260 SER CA C 13 58.3 0.15 . 1 . . . . . 378 SER CA . 50920 1 1252 . 1 . 1 260 260 SER CB C 13 64.0 0.15 . 1 . . . . . 378 SER CB . 50920 1 1253 . 1 . 1 260 260 SER N N 15 114.8 0.15 . 1 . . . . . 378 SER N . 50920 1 1254 . 1 . 1 261 261 VAL H H 1 7.55 0.02 . 1 . . . . . 379 VAL H . 50920 1 1255 . 1 . 1 261 261 VAL C C 13 181.0 0.15 . 1 . . . . . 379 VAL C . 50920 1 1256 . 1 . 1 261 261 VAL CA C 13 63.8 0.15 . 1 . . . . . 379 VAL CA . 50920 1 1257 . 1 . 1 261 261 VAL CB C 13 33.1 0.15 . 1 . . . . . 379 VAL CB . 50920 1 1258 . 1 . 1 261 261 VAL N N 15 125.2 0.15 . 1 . . . . . 379 VAL N . 50920 1 stop_ save_