data_50452 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50452 _Entry.Title ; DegP-PDZ1PDZ2-25C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-02 _Entry.Accession_date 2020-09-02 _Entry.Last_release_date 2020-09-02 _Entry.Original_release_date 2020-09-02 _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 'PDZ1-PDZ2 domains of DegP serine protease at 25C' _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 Darius Sulskis . . . 0000-0002-6925-4469 50452 2 Johannes Thoma . . . 0000-0003-3584-8274 50452 3 Bjorn Burmann . M. . 0000-0002-3135-7964 50452 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry and Molecular Biology, University of Gothenburg' . 50452 2 . 'Wallenberg Centre for Molecular and Translational Medicine, University of Gothenburg' . 50452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 50452 '15N chemical shifts' 135 50452 '1H chemical shifts' 135 50452 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 . . 2021-12-09 2020-09-02 update BMRB 'update entry citation' 50452 1 . . 2021-10-15 2020-09-02 original author 'original release' 50452 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50450 'PDZ1 domain of DegP' 50452 BMRB 50451 'PDZ2 domain of DegP' 50452 BMRB 50453 'PDZ1-PDZ2 domains of DegP, 50C' 50452 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50452 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34878848 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of DegP protease temperature-dependent activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume 7 _Citation.Journal_issue 50 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eabj1816 _Citation.Page_last eabj1816 _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 Darius Sulskis . . . . 50452 1 2 Johannes Thoma . . . . 50452 1 3 Bjorn Burmann . M. . . 50452 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DegP 50452 1 'E. coli' 50452 1 HtrA 50452 1 PDZ1PDZ2 50452 1 'serine protease' 50452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50452 _Assembly.ID 1 _Assembly.Name 'PDZ1-PDZ2 domains of DegP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19610 _Assembly.Enzyme_commission_number . _Assembly.Details 'Regulatory PDZ1-PDZ2 domains of DegP serine protease' _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 PDZ1-PDZ2 1 $entity_1 . . yes native no no . 'regulatory domain' . 50452 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1KY9 . . X-ray 2.8 'Structure of full-lenght DegP' . 50452 1 yes PDB 3CS0 . . X-ray 2.0 'Crystal structure DegP 24-mer' . 50452 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The main biological function of DegP serine protease is a protein control during stress conditions in E. coli.' 50452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50452 _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 ; KRGELGIMGTELNSELAKAM KVDAQRGAFVSQVLPNSSAA KAGIKAGDVITSLNGKPISS FAALRAQVGTMPVGSKLTLG LLRDGKQVNVNLELQQSSQN QVDSSSIFNGIEGAEMSNKG KDQGVVVNNVKTGTPAAQIG LKKGDVIIGANQQAVKNIAE LRKVLDSKPSVLALNIQRGD STIYLLMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'PDZ1-PDZ2 domain (261-448 a.a.) of DegP' _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment PDZ1-PDZ2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19610 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0C0V0 . DegP . . . . . . . . . . . . . . 50452 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Serine protease; heat shock protein' 50452 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 261 LYS . 50452 1 2 262 ARG . 50452 1 3 263 GLY . 50452 1 4 264 GLU . 50452 1 5 265 LEU . 50452 1 6 266 GLY . 50452 1 7 267 ILE . 50452 1 8 268 MET . 50452 1 9 269 GLY . 50452 1 10 270 THR . 50452 1 11 271 GLU . 50452 1 12 272 LEU . 50452 1 13 273 ASN . 50452 1 14 274 SER . 50452 1 15 275 GLU . 50452 1 16 276 LEU . 50452 1 17 277 ALA . 50452 1 18 278 LYS . 50452 1 19 279 ALA . 50452 1 20 280 MET . 50452 1 21 281 LYS . 50452 1 22 282 VAL . 50452 1 23 283 ASP . 50452 1 24 284 ALA . 50452 1 25 285 GLN . 50452 1 26 286 ARG . 50452 1 27 287 GLY . 50452 1 28 288 ALA . 50452 1 29 289 PHE . 50452 1 30 290 VAL . 50452 1 31 291 SER . 50452 1 32 292 GLN . 50452 1 33 293 VAL . 50452 1 34 294 LEU . 50452 1 35 295 PRO . 50452 1 36 296 ASN . 50452 1 37 297 SER . 50452 1 38 298 SER . 50452 1 39 299 ALA . 50452 1 40 300 ALA . 50452 1 41 301 LYS . 50452 1 42 302 ALA . 50452 1 43 303 GLY . 50452 1 44 304 ILE . 50452 1 45 305 LYS . 50452 1 46 306 ALA . 50452 1 47 307 GLY . 50452 1 48 308 ASP . 50452 1 49 309 VAL . 50452 1 50 310 ILE . 50452 1 51 311 THR . 50452 1 52 312 SER . 50452 1 53 313 LEU . 50452 1 54 314 ASN . 50452 1 55 315 GLY . 50452 1 56 316 LYS . 50452 1 57 317 PRO . 50452 1 58 318 ILE . 50452 1 59 319 SER . 50452 1 60 320 SER . 50452 1 61 321 PHE . 50452 1 62 322 ALA . 50452 1 63 323 ALA . 50452 1 64 324 LEU . 50452 1 65 325 ARG . 50452 1 66 326 ALA . 50452 1 67 327 GLN . 50452 1 68 328 VAL . 50452 1 69 329 GLY . 50452 1 70 330 THR . 50452 1 71 331 MET . 50452 1 72 332 PRO . 50452 1 73 333 VAL . 50452 1 74 334 GLY . 50452 1 75 335 SER . 50452 1 76 336 LYS . 50452 1 77 337 LEU . 50452 1 78 338 THR . 50452 1 79 339 LEU . 50452 1 80 340 GLY . 50452 1 81 341 LEU . 50452 1 82 342 LEU . 50452 1 83 343 ARG . 50452 1 84 344 ASP . 50452 1 85 345 GLY . 50452 1 86 346 LYS . 50452 1 87 347 GLN . 50452 1 88 348 VAL . 50452 1 89 349 ASN . 50452 1 90 350 VAL . 50452 1 91 351 ASN . 50452 1 92 352 LEU . 50452 1 93 353 GLU . 50452 1 94 354 LEU . 50452 1 95 355 GLN . 50452 1 96 356 GLN . 50452 1 97 357 SER . 50452 1 98 358 SER . 50452 1 99 359 GLN . 50452 1 100 360 ASN . 50452 1 101 361 GLN . 50452 1 102 362 VAL . 50452 1 103 363 ASP . 50452 1 104 364 SER . 50452 1 105 365 SER . 50452 1 106 366 SER . 50452 1 107 367 ILE . 50452 1 108 368 PHE . 50452 1 109 369 ASN . 50452 1 110 370 GLY . 50452 1 111 371 ILE . 50452 1 112 372 GLU . 50452 1 113 373 GLY . 50452 1 114 374 ALA . 50452 1 115 375 GLU . 50452 1 116 376 MET . 50452 1 117 377 SER . 50452 1 118 378 ASN . 50452 1 119 379 LYS . 50452 1 120 380 GLY . 50452 1 121 381 LYS . 50452 1 122 382 ASP . 50452 1 123 383 GLN . 50452 1 124 384 GLY . 50452 1 125 385 VAL . 50452 1 126 386 VAL . 50452 1 127 387 VAL . 50452 1 128 388 ASN . 50452 1 129 389 ASN . 50452 1 130 390 VAL . 50452 1 131 391 LYS . 50452 1 132 392 THR . 50452 1 133 393 GLY . 50452 1 134 394 THR . 50452 1 135 395 PRO . 50452 1 136 396 ALA . 50452 1 137 397 ALA . 50452 1 138 398 GLN . 50452 1 139 399 ILE . 50452 1 140 400 GLY . 50452 1 141 401 LEU . 50452 1 142 402 LYS . 50452 1 143 403 LYS . 50452 1 144 404 GLY . 50452 1 145 405 ASP . 50452 1 146 406 VAL . 50452 1 147 407 ILE . 50452 1 148 408 ILE . 50452 1 149 409 GLY . 50452 1 150 410 ALA . 50452 1 151 411 ASN . 50452 1 152 412 GLN . 50452 1 153 413 GLN . 50452 1 154 414 ALA . 50452 1 155 415 VAL . 50452 1 156 416 LYS . 50452 1 157 417 ASN . 50452 1 158 418 ILE . 50452 1 159 419 ALA . 50452 1 160 420 GLU . 50452 1 161 421 LEU . 50452 1 162 422 ARG . 50452 1 163 423 LYS . 50452 1 164 424 VAL . 50452 1 165 425 LEU . 50452 1 166 426 ASP . 50452 1 167 427 SER . 50452 1 168 428 LYS . 50452 1 169 429 PRO . 50452 1 170 430 SER . 50452 1 171 431 VAL . 50452 1 172 432 LEU . 50452 1 173 433 ALA . 50452 1 174 434 LEU . 50452 1 175 435 ASN . 50452 1 176 436 ILE . 50452 1 177 437 GLN . 50452 1 178 438 ARG . 50452 1 179 439 GLY . 50452 1 180 440 ASP . 50452 1 181 441 SER . 50452 1 182 442 THR . 50452 1 183 443 ILE . 50452 1 184 444 TYR . 50452 1 185 445 LEU . 50452 1 186 446 LEU . 50452 1 187 447 MET . 50452 1 188 448 GLN . 50452 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 . LYS 1 1 50452 1 . ARG 2 2 50452 1 . GLY 3 3 50452 1 . GLU 4 4 50452 1 . LEU 5 5 50452 1 . GLY 6 6 50452 1 . ILE 7 7 50452 1 . MET 8 8 50452 1 . GLY 9 9 50452 1 . THR 10 10 50452 1 . GLU 11 11 50452 1 . LEU 12 12 50452 1 . ASN 13 13 50452 1 . SER 14 14 50452 1 . GLU 15 15 50452 1 . LEU 16 16 50452 1 . ALA 17 17 50452 1 . LYS 18 18 50452 1 . ALA 19 19 50452 1 . MET 20 20 50452 1 . LYS 21 21 50452 1 . VAL 22 22 50452 1 . ASP 23 23 50452 1 . ALA 24 24 50452 1 . GLN 25 25 50452 1 . ARG 26 26 50452 1 . GLY 27 27 50452 1 . ALA 28 28 50452 1 . PHE 29 29 50452 1 . VAL 30 30 50452 1 . SER 31 31 50452 1 . GLN 32 32 50452 1 . VAL 33 33 50452 1 . LEU 34 34 50452 1 . PRO 35 35 50452 1 . ASN 36 36 50452 1 . SER 37 37 50452 1 . SER 38 38 50452 1 . ALA 39 39 50452 1 . ALA 40 40 50452 1 . LYS 41 41 50452 1 . ALA 42 42 50452 1 . GLY 43 43 50452 1 . ILE 44 44 50452 1 . LYS 45 45 50452 1 . ALA 46 46 50452 1 . GLY 47 47 50452 1 . ASP 48 48 50452 1 . VAL 49 49 50452 1 . ILE 50 50 50452 1 . THR 51 51 50452 1 . SER 52 52 50452 1 . LEU 53 53 50452 1 . ASN 54 54 50452 1 . GLY 55 55 50452 1 . LYS 56 56 50452 1 . PRO 57 57 50452 1 . ILE 58 58 50452 1 . SER 59 59 50452 1 . SER 60 60 50452 1 . PHE 61 61 50452 1 . ALA 62 62 50452 1 . ALA 63 63 50452 1 . LEU 64 64 50452 1 . ARG 65 65 50452 1 . ALA 66 66 50452 1 . GLN 67 67 50452 1 . VAL 68 68 50452 1 . GLY 69 69 50452 1 . THR 70 70 50452 1 . MET 71 71 50452 1 . PRO 72 72 50452 1 . VAL 73 73 50452 1 . GLY 74 74 50452 1 . SER 75 75 50452 1 . LYS 76 76 50452 1 . LEU 77 77 50452 1 . THR 78 78 50452 1 . LEU 79 79 50452 1 . GLY 80 80 50452 1 . LEU 81 81 50452 1 . LEU 82 82 50452 1 . ARG 83 83 50452 1 . ASP 84 84 50452 1 . GLY 85 85 50452 1 . LYS 86 86 50452 1 . GLN 87 87 50452 1 . VAL 88 88 50452 1 . ASN 89 89 50452 1 . VAL 90 90 50452 1 . ASN 91 91 50452 1 . LEU 92 92 50452 1 . GLU 93 93 50452 1 . LEU 94 94 50452 1 . GLN 95 95 50452 1 . GLN 96 96 50452 1 . SER 97 97 50452 1 . SER 98 98 50452 1 . GLN 99 99 50452 1 . ASN 100 100 50452 1 . GLN 101 101 50452 1 . VAL 102 102 50452 1 . ASP 103 103 50452 1 . SER 104 104 50452 1 . SER 105 105 50452 1 . SER 106 106 50452 1 . ILE 107 107 50452 1 . PHE 108 108 50452 1 . ASN 109 109 50452 1 . GLY 110 110 50452 1 . ILE 111 111 50452 1 . GLU 112 112 50452 1 . GLY 113 113 50452 1 . ALA 114 114 50452 1 . GLU 115 115 50452 1 . MET 116 116 50452 1 . SER 117 117 50452 1 . ASN 118 118 50452 1 . LYS 119 119 50452 1 . GLY 120 120 50452 1 . LYS 121 121 50452 1 . ASP 122 122 50452 1 . GLN 123 123 50452 1 . GLY 124 124 50452 1 . VAL 125 125 50452 1 . VAL 126 126 50452 1 . VAL 127 127 50452 1 . ASN 128 128 50452 1 . ASN 129 129 50452 1 . VAL 130 130 50452 1 . LYS 131 131 50452 1 . THR 132 132 50452 1 . GLY 133 133 50452 1 . THR 134 134 50452 1 . PRO 135 135 50452 1 . ALA 136 136 50452 1 . ALA 137 137 50452 1 . GLN 138 138 50452 1 . ILE 139 139 50452 1 . GLY 140 140 50452 1 . LEU 141 141 50452 1 . LYS 142 142 50452 1 . LYS 143 143 50452 1 . GLY 144 144 50452 1 . ASP 145 145 50452 1 . VAL 146 146 50452 1 . ILE 147 147 50452 1 . ILE 148 148 50452 1 . GLY 149 149 50452 1 . ALA 150 150 50452 1 . ASN 151 151 50452 1 . GLN 152 152 50452 1 . GLN 153 153 50452 1 . ALA 154 154 50452 1 . VAL 155 155 50452 1 . LYS 156 156 50452 1 . ASN 157 157 50452 1 . ILE 158 158 50452 1 . ALA 159 159 50452 1 . GLU 160 160 50452 1 . LEU 161 161 50452 1 . ARG 162 162 50452 1 . LYS 163 163 50452 1 . VAL 164 164 50452 1 . LEU 165 165 50452 1 . ASP 166 166 50452 1 . SER 167 167 50452 1 . LYS 168 168 50452 1 . PRO 169 169 50452 1 . SER 170 170 50452 1 . VAL 171 171 50452 1 . LEU 172 172 50452 1 . ALA 173 173 50452 1 . LEU 174 174 50452 1 . ASN 175 175 50452 1 . ILE 176 176 50452 1 . GLN 177 177 50452 1 . ARG 178 178 50452 1 . GLY 179 179 50452 1 . ASP 180 180 50452 1 . SER 181 181 50452 1 . THR 182 182 50452 1 . ILE 183 183 50452 1 . TYR 184 184 50452 1 . LEU 185 185 50452 1 . LEU 186 186 50452 1 . MET 187 187 50452 1 . GLN 188 188 50452 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50452 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . degP . 50452 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 50452 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28a(+) . . . 50452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50452 _Sample.ID 1 _Sample.Name PDZ1-PDZ2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '450uM 15N13C- PDZ1PDZ2 domain 25 mM KPi, 1 mM EDTA, 1 mM TCEP, pH 7.0, 50C' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 'PDZ1-PDZ2 domains of DegP' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 50452 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 50452 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50452 1 4 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50452 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50452 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50452 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50452 _Sample_condition_list.ID 1 _Sample_condition_list.Name '25C temp conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 50452 1 pH 7.0 . pH 50452 1 pressure 1 . atm 50452 1 temperature 298 . K 50452 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50452 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details "Bruker's TopSpin(tm) software package for NMR data analysis and the acquisition and processing of NMR spectra." loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50452 1 'data analysis' . 50452 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50452 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details ; CARA is an application for the analysis of NMR spectra and computer aided resonance assignment developed in the group of Prof. Dr. Kurt Wuthrich at the Institute of Molecular Biology and Biophysics, ETH Zurich. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50452 2 'chemical shift calculation' . 50452 2 'data analysis' . 50452 2 'peak picking' . 50452 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50452 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version 3.2 _Software.DOI . _Software.Details ; qMDD is a Graphical User Interface for MDDNMR software written in Python and uses PySide as a bindings for the Qt cross-platform application and UI framework. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50452 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50452 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 9.6 _Software.DOI . _Software.Details ; NMRPipe is an extensive software system for processing, analyzing, and exploiting multidimensional NMR spectroscopic data. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50452 4 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 50452 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800#2 _NMR_spectrometer.Details 'Oxford 800 magnet, Bruker Avance III HD spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50452 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details 'Bruker 700 pumped magnet, Bruker Avance III spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 50452 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50452 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50452 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50452 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50452 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 50452 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 50452 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50452 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50452 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 50452 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PDZ1PDZ2_assign_25C _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50452 1 2 '3D HNCO' . . . 50452 1 3 '3D HNCACB' . . . 50452 1 4 '3D CBCA(CO)NH' . . . 50452 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all nitrogens' 15 45 . 50452 1 'TROSY offset' 'all 1H' 1 45 . 50452 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 . . 50452 1 2 $software_2 . . 50452 1 3 $software_3 . . 50452 1 4 $software_4 . . 50452 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 3 3 GLY H H 1 8.655 0.020 . 1 . . . . . 263 GLY H . 50452 1 2 . 1 . 1 3 3 GLY CA C 13 44.874 0.3 . 1 . . . . . 263 GLY CA . 50452 1 3 . 1 . 1 3 3 GLY N N 15 112.647 0.3 . 1 . . . . . 263 GLY N . 50452 1 4 . 1 . 1 4 4 GLU H H 1 8.146 0.020 . 1 . . . . . 264 GLU H . 50452 1 5 . 1 . 1 4 4 GLU C C 13 176.257 0.3 . 1 . . . . . 264 GLU C . 50452 1 6 . 1 . 1 4 4 GLU CA C 13 54.857 0.3 . 1 . . . . . 264 GLU CA . 50452 1 7 . 1 . 1 4 4 GLU CB C 13 32.417 0.3 . 1 . . . . . 264 GLU CB . 50452 1 8 . 1 . 1 4 4 GLU N N 15 122.613 0.3 . 1 . . . . . 264 GLU N . 50452 1 9 . 1 . 1 10 10 THR H H 1 8.351 0.020 . 1 . . . . . 270 THR H . 50452 1 10 . 1 . 1 10 10 THR C C 13 173.281 0.3 . 1 . . . . . 270 THR C . 50452 1 11 . 1 . 1 10 10 THR CA C 13 59.531 0.3 . 1 . . . . . 270 THR CA . 50452 1 12 . 1 . 1 10 10 THR CB C 13 70.902 0.3 . 1 . . . . . 270 THR CB . 50452 1 13 . 1 . 1 10 10 THR N N 15 114.404 0.3 . 1 . . . . . 270 THR N . 50452 1 14 . 1 . 1 18 18 LYS H H 1 7.442 0.020 . 1 . . . . . 278 LYS H . 50452 1 15 . 1 . 1 18 18 LYS C C 13 179.901 0.3 . 1 . . . . . 278 LYS C . 50452 1 16 . 1 . 1 18 18 LYS CA C 13 58.666 0.3 . 1 . . . . . 278 LYS CA . 50452 1 17 . 1 . 1 18 18 LYS CB C 13 32.082 0.3 . 1 . . . . . 278 LYS CB . 50452 1 18 . 1 . 1 18 18 LYS N N 15 119.061 0.3 . 1 . . . . . 278 LYS N . 50452 1 19 . 1 . 1 19 19 ALA H H 1 7.546 0.020 . 1 . . . . . 279 ALA H . 50452 1 20 . 1 . 1 19 19 ALA C C 13 179.032 0.3 . 1 . . . . . 279 ALA C . 50452 1 21 . 1 . 1 19 19 ALA CA C 13 54.769 0.3 . 1 . . . . . 279 ALA CA . 50452 1 22 . 1 . 1 19 19 ALA CB C 13 18.406 0.3 . 1 . . . . . 279 ALA CB . 50452 1 23 . 1 . 1 19 19 ALA N N 15 125.141 0.3 . 1 . . . . . 279 ALA N . 50452 1 24 . 1 . 1 21 21 LYS H H 1 7.586 0.020 . 1 . . . . . 281 LYS H . 50452 1 25 . 1 . 1 21 21 LYS C C 13 175.859 0.3 . 1 . . . . . 281 LYS C . 50452 1 26 . 1 . 1 21 21 LYS CA C 13 56.994 0.3 . 1 . . . . . 281 LYS CA . 50452 1 27 . 1 . 1 21 21 LYS CB C 13 29.294 0.3 . 1 . . . . . 281 LYS CB . 50452 1 28 . 1 . 1 21 21 LYS N N 15 119.606 0.3 . 1 . . . . . 281 LYS N . 50452 1 29 . 1 . 1 23 23 ASP H H 1 7.884 0.020 . 1 . . . . . 283 ASP H . 50452 1 30 . 1 . 1 23 23 ASP CA C 13 54.664 0.3 . 1 . . . . . 283 ASP CA . 50452 1 31 . 1 . 1 23 23 ASP CB C 13 40.283 0.3 . 1 . . . . . 283 ASP CB . 50452 1 32 . 1 . 1 23 23 ASP N N 15 127.392 0.3 . 1 . . . . . 283 ASP N . 50452 1 33 . 1 . 1 24 24 ALA H H 1 7.281 0.020 . 1 . . . . . 284 ALA H . 50452 1 34 . 1 . 1 24 24 ALA C C 13 176.257 0.3 . 1 . . . . . 284 ALA C . 50452 1 35 . 1 . 1 24 24 ALA CA C 13 52.050 0.3 . 1 . . . . . 284 ALA CA . 50452 1 36 . 1 . 1 24 24 ALA CB C 13 20.130 0.3 . 1 . . . . . 284 ALA CB . 50452 1 37 . 1 . 1 24 24 ALA N N 15 124.614 0.3 . 1 . . . . . 284 ALA N . 50452 1 38 . 1 . 1 28 28 ALA H H 1 8.357 0.020 . 1 . . . . . 288 ALA H . 50452 1 39 . 1 . 1 28 28 ALA C C 13 174.919 0.3 . 1 . . . . . 288 ALA C . 50452 1 40 . 1 . 1 28 28 ALA CA C 13 50.188 0.3 . 1 . . . . . 288 ALA CA . 50452 1 41 . 1 . 1 28 28 ALA CB C 13 20.828 0.3 . 1 . . . . . 288 ALA CB . 50452 1 42 . 1 . 1 28 28 ALA N N 15 123.558 0.3 . 1 . . . . . 288 ALA N . 50452 1 43 . 1 . 1 29 29 PHE H H 1 8.505 0.020 . 1 . . . . . 289 PHE H . 50452 1 44 . 1 . 1 29 29 PHE C C 13 173.782 0.3 . 1 . . . . . 289 PHE C . 50452 1 45 . 1 . 1 29 29 PHE CA C 13 57.835 0.3 . 1 . . . . . 289 PHE CA . 50452 1 46 . 1 . 1 29 29 PHE CB C 13 39.964 0.3 . 1 . . . . . 289 PHE CB . 50452 1 47 . 1 . 1 29 29 PHE N N 15 127.790 0.3 . 1 . . . . . 289 PHE N . 50452 1 48 . 1 . 1 30 30 VAL H H 1 7.897 0.020 . 1 . . . . . 290 VAL H . 50452 1 49 . 1 . 1 30 30 VAL C C 13 173.883 0.3 . 1 . . . . . 290 VAL C . 50452 1 50 . 1 . 1 30 30 VAL CA C 13 62.903 0.3 . 1 . . . . . 290 VAL CA . 50452 1 51 . 1 . 1 30 30 VAL CB C 13 30.955 0.3 . 1 . . . . . 290 VAL CB . 50452 1 52 . 1 . 1 30 30 VAL N N 15 130.099 0.3 . 1 . . . . . 290 VAL N . 50452 1 53 . 1 . 1 32 32 GLN H H 1 7.378 0.020 . 1 . . . . . 292 GLN H . 50452 1 54 . 1 . 1 32 32 GLN C C 13 173.013 0.3 . 1 . . . . . 292 GLN C . 50452 1 55 . 1 . 1 32 32 GLN CA C 13 55.691 0.3 . 1 . . . . . 292 GLN CA . 50452 1 56 . 1 . 1 32 32 GLN CB C 13 32.386 0.3 . 1 . . . . . 292 GLN CB . 50452 1 57 . 1 . 1 32 32 GLN N N 15 120.286 0.3 . 1 . . . . . 292 GLN N . 50452 1 58 . 1 . 1 33 33 VAL H H 1 8.511 0.020 . 1 . . . . . 293 VAL H . 50452 1 59 . 1 . 1 33 33 VAL CA C 13 60.489 0.3 . 1 . . . . . 293 VAL CA . 50452 1 60 . 1 . 1 33 33 VAL CB C 13 33.580 0.3 . 1 . . . . . 293 VAL CB . 50452 1 61 . 1 . 1 33 33 VAL N N 15 125.583 0.3 . 1 . . . . . 293 VAL N . 50452 1 62 . 1 . 1 34 34 LEU H H 1 8.666 0.020 . 1 . . . . . 294 LEU H . 50452 1 63 . 1 . 1 34 34 LEU C C 13 175.621 0.3 . 1 . . . . . 294 LEU C . 50452 1 64 . 1 . 1 34 34 LEU CA C 13 53.273 0.3 . 1 . . . . . 294 LEU CA . 50452 1 65 . 1 . 1 34 34 LEU CB C 13 40.535 0.3 . 1 . . . . . 294 LEU CB . 50452 1 66 . 1 . 1 34 34 LEU N N 15 132.241 0.3 . 1 . . . . . 294 LEU N . 50452 1 67 . 1 . 1 37 37 SER H H 1 7.181 0.020 . 1 . . . . . 297 SER H . 50452 1 68 . 1 . 1 37 37 SER CA C 13 57.416 0.3 . 1 . . . . . 297 SER CA . 50452 1 69 . 1 . 1 37 37 SER CB C 13 67.186 0.3 . 1 . . . . . 297 SER CB . 50452 1 70 . 1 . 1 37 37 SER N N 15 114.680 0.3 . 1 . . . . . 297 SER N . 50452 1 71 . 1 . 1 39 39 ALA H H 1 7.982 0.020 . 1 . . . . . 299 ALA H . 50452 1 72 . 1 . 1 39 39 ALA C C 13 178.096 0.3 . 1 . . . . . 299 ALA C . 50452 1 73 . 1 . 1 39 39 ALA CA C 13 55.362 0.3 . 1 . . . . . 299 ALA CA . 50452 1 74 . 1 . 1 39 39 ALA CB C 13 19.599 0.3 . 1 . . . . . 299 ALA CB . 50452 1 75 . 1 . 1 39 39 ALA N N 15 123.637 0.3 . 1 . . . . . 299 ALA N . 50452 1 76 . 1 . 1 40 40 ALA H H 1 7.614 0.020 . 1 . . . . . 300 ALA H . 50452 1 77 . 1 . 1 40 40 ALA C C 13 182.309 0.3 . 1 . . . . . 300 ALA C . 50452 1 78 . 1 . 1 40 40 ALA CA C 13 55.329 0.3 . 1 . . . . . 300 ALA CA . 50452 1 79 . 1 . 1 40 40 ALA CB C 13 18.214 0.3 . 1 . . . . . 300 ALA CB . 50452 1 80 . 1 . 1 40 40 ALA N N 15 124.418 0.3 . 1 . . . . . 300 ALA N . 50452 1 81 . 1 . 1 41 41 LYS H H 1 8.053 0.020 . 1 . . . . . 301 LYS H . 50452 1 82 . 1 . 1 41 41 LYS C C 13 177.912 0.3 . 1 . . . . . 301 LYS C . 50452 1 83 . 1 . 1 41 41 LYS CA C 13 59.181 0.3 . 1 . . . . . 301 LYS CA . 50452 1 84 . 1 . 1 41 41 LYS CB C 13 32.363 0.3 . 1 . . . . . 301 LYS CB . 50452 1 85 . 1 . 1 41 41 LYS N N 15 121.697 0.3 . 1 . . . . . 301 LYS N . 50452 1 86 . 1 . 1 42 42 ALA H H 1 7.325 0.020 . 1 . . . . . 302 ALA H . 50452 1 87 . 1 . 1 42 42 ALA C C 13 177.427 0.3 . 1 . . . . . 302 ALA C . 50452 1 88 . 1 . 1 42 42 ALA CA C 13 52.595 0.3 . 1 . . . . . 302 ALA CA . 50452 1 89 . 1 . 1 42 42 ALA CB C 13 20.432 0.3 . 1 . . . . . 302 ALA CB . 50452 1 90 . 1 . 1 42 42 ALA N N 15 121.085 0.3 . 1 . . . . . 302 ALA N . 50452 1 91 . 1 . 1 43 43 GLY H H 1 7.351 0.020 . 1 . . . . . 303 GLY H . 50452 1 92 . 1 . 1 43 43 GLY C C 13 175.170 0.3 . 1 . . . . . 303 GLY C . 50452 1 93 . 1 . 1 43 43 GLY CA C 13 45.189 0.3 . 1 . . . . . 303 GLY CA . 50452 1 94 . 1 . 1 43 43 GLY N N 15 106.020 0.3 . 1 . . . . . 303 GLY N . 50452 1 95 . 1 . 1 44 44 ILE H H 1 7.370 0.020 . 1 . . . . . 304 ILE H . 50452 1 96 . 1 . 1 44 44 ILE C C 13 173.465 0.3 . 1 . . . . . 304 ILE C . 50452 1 97 . 1 . 1 44 44 ILE CA C 13 62.376 0.3 . 1 . . . . . 304 ILE CA . 50452 1 98 . 1 . 1 44 44 ILE CB C 13 36.509 0.3 . 1 . . . . . 304 ILE CB . 50452 1 99 . 1 . 1 44 44 ILE N N 15 123.674 0.3 . 1 . . . . . 304 ILE N . 50452 1 100 . 1 . 1 45 45 LYS H H 1 8.698 0.020 . 1 . . . . . 305 LYS H . 50452 1 101 . 1 . 1 45 45 LYS C C 13 175.086 0.3 . 1 . . . . . 305 LYS C . 50452 1 102 . 1 . 1 45 45 LYS CA C 13 54.439 0.3 . 1 . . . . . 305 LYS CA . 50452 1 103 . 1 . 1 45 45 LYS CB C 13 36.703 0.3 . 1 . . . . . 305 LYS CB . 50452 1 104 . 1 . 1 45 45 LYS N N 15 129.201 0.3 . 1 . . . . . 305 LYS N . 50452 1 105 . 1 . 1 46 46 ALA H H 1 8.146 0.020 . 1 . . . . . 306 ALA H . 50452 1 106 . 1 . 1 46 46 ALA C C 13 178.932 0.3 . 1 . . . . . 306 ALA C . 50452 1 107 . 1 . 1 46 46 ALA CA C 13 53.188 0.3 . 1 . . . . . 306 ALA CA . 50452 1 108 . 1 . 1 46 46 ALA CB C 13 18.161 0.3 . 1 . . . . . 306 ALA CB . 50452 1 109 . 1 . 1 46 46 ALA N N 15 124.298 0.3 . 1 . . . . . 306 ALA N . 50452 1 110 . 1 . 1 48 48 ASP H H 1 7.407 0.020 . 1 . . . . . 308 ASP H . 50452 1 111 . 1 . 1 48 48 ASP C C 13 174.769 0.3 . 1 . . . . . 308 ASP C . 50452 1 112 . 1 . 1 48 48 ASP CA C 13 55.493 0.3 . 1 . . . . . 308 ASP CA . 50452 1 113 . 1 . 1 48 48 ASP CB C 13 42.068 0.3 . 1 . . . . . 308 ASP CB . 50452 1 114 . 1 . 1 48 48 ASP N N 15 123.694 0.3 . 1 . . . . . 308 ASP N . 50452 1 115 . 1 . 1 49 49 VAL H H 1 7.602 0.020 . 1 . . . . . 309 VAL H . 50452 1 116 . 1 . 1 49 49 VAL C C 13 176.257 0.3 . 1 . . . . . 309 VAL C . 50452 1 117 . 1 . 1 49 49 VAL CA C 13 60.557 0.3 . 1 . . . . . 309 VAL CA . 50452 1 118 . 1 . 1 49 49 VAL CB C 13 34.480 0.3 . 1 . . . . . 309 VAL CB . 50452 1 119 . 1 . 1 49 49 VAL N N 15 119.685 0.3 . 1 . . . . . 309 VAL N . 50452 1 120 . 1 . 1 50 50 ILE H H 1 9.101 0.020 . 1 . . . . . 310 ILE H . 50452 1 121 . 1 . 1 50 50 ILE C C 13 176.253 0.3 . 1 . . . . . 310 ILE C . 50452 1 122 . 1 . 1 50 50 ILE CA C 13 61.320 0.3 . 1 . . . . . 310 ILE CA . 50452 1 123 . 1 . 1 50 50 ILE CB C 13 39.002 0.3 . 1 . . . . . 310 ILE CB . 50452 1 124 . 1 . 1 50 50 ILE N N 15 129.595 0.3 . 1 . . . . . 310 ILE N . 50452 1 125 . 1 . 1 51 51 THR H H 1 9.006 0.020 . 1 . . . . . 311 THR H . 50452 1 126 . 1 . 1 51 51 THR C C 13 176.725 0.3 . 1 . . . . . 311 THR C . 50452 1 127 . 1 . 1 51 51 THR CA C 13 61.684 0.3 . 1 . . . . . 311 THR CA . 50452 1 128 . 1 . 1 51 51 THR CB C 13 70.232 0.3 . 1 . . . . . 311 THR CB . 50452 1 129 . 1 . 1 51 51 THR N N 15 118.529 0.3 . 1 . . . . . 311 THR N . 50452 1 130 . 1 . 1 52 52 SER H H 1 7.967 0.020 . 1 . . . . . 312 SER H . 50452 1 131 . 1 . 1 52 52 SER C C 13 172.060 0.3 . 1 . . . . . 312 SER C . 50452 1 132 . 1 . 1 52 52 SER CA C 13 58.325 0.3 . 1 . . . . . 312 SER CA . 50452 1 133 . 1 . 1 52 52 SER CB C 13 65.825 0.3 . 1 . . . . . 312 SER CB . 50452 1 134 . 1 . 1 52 52 SER N N 15 120.009 0.3 . 1 . . . . . 312 SER N . 50452 1 135 . 1 . 1 53 53 LEU H H 1 8.578 0.020 . 1 . . . . . 313 LEU H . 50452 1 136 . 1 . 1 53 53 LEU C C 13 175.755 0.3 . 1 . . . . . 313 LEU C . 50452 1 137 . 1 . 1 53 53 LEU CA C 13 54.341 0.3 . 1 . . . . . 313 LEU CA . 50452 1 138 . 1 . 1 53 53 LEU CB C 13 45.210 0.3 . 1 . . . . . 313 LEU CB . 50452 1 139 . 1 . 1 53 53 LEU N N 15 124.228 0.3 . 1 . . . . . 313 LEU N . 50452 1 140 . 1 . 1 54 54 ASN H H 1 9.752 0.020 . 1 . . . . . 314 ASN H . 50452 1 141 . 1 . 1 54 54 ASN C C 13 175.270 0.3 . 1 . . . . . 314 ASN C . 50452 1 142 . 1 . 1 54 54 ASN CA C 13 54.176 0.3 . 1 . . . . . 314 ASN CA . 50452 1 143 . 1 . 1 54 54 ASN CB C 13 36.494 0.3 . 1 . . . . . 314 ASN CB . 50452 1 144 . 1 . 1 54 54 ASN N N 15 130.946 0.3 . 1 . . . . . 314 ASN N . 50452 1 145 . 1 . 1 55 55 GLY H H 1 8.741 0.020 . 1 . . . . . 315 GLY H . 50452 1 146 . 1 . 1 55 55 GLY C C 13 173.966 0.3 . 1 . . . . . 315 GLY C . 50452 1 147 . 1 . 1 55 55 GLY CA C 13 44.887 0.3 . 1 . . . . . 315 GLY CA . 50452 1 148 . 1 . 1 55 55 GLY N N 15 105.196 0.3 . 1 . . . . . 315 GLY N . 50452 1 149 . 1 . 1 56 56 LYS H H 1 7.653 0.020 . 1 . . . . . 316 LYS H . 50452 1 150 . 1 . 1 56 56 LYS CA C 13 52.892 0.3 . 1 . . . . . 316 LYS CA . 50452 1 151 . 1 . 1 56 56 LYS CB C 13 33.254 0.3 . 1 . . . . . 316 LYS CB . 50452 1 152 . 1 . 1 56 56 LYS N N 15 124.547 0.3 . 1 . . . . . 316 LYS N . 50452 1 153 . 1 . 1 58 58 ILE H H 1 7.517 0.020 . 1 . . . . . 318 ILE H . 50452 1 154 . 1 . 1 58 58 ILE C C 13 175.287 0.3 . 1 . . . . . 318 ILE C . 50452 1 155 . 1 . 1 58 58 ILE CA C 13 62.743 0.3 . 1 . . . . . 318 ILE CA . 50452 1 156 . 1 . 1 58 58 ILE CB C 13 44.726 0.3 . 1 . . . . . 318 ILE CB . 50452 1 157 . 1 . 1 58 58 ILE N N 15 123.597 0.3 . 1 . . . . . 318 ILE N . 50452 1 158 . 1 . 1 62 62 ALA H H 1 8.839 0.020 . 1 . . . . . 322 ALA H . 50452 1 159 . 1 . 1 62 62 ALA CA C 13 55.366 0.3 . 1 . . . . . 322 ALA CA . 50452 1 160 . 1 . 1 62 62 ALA CB C 13 17.741 0.3 . 1 . . . . . 322 ALA CB . 50452 1 161 . 1 . 1 62 62 ALA N N 15 125.546 0.3 . 1 . . . . . 322 ALA N . 50452 1 162 . 1 . 1 63 63 ALA H H 1 8.136 0.020 . 1 . . . . . 323 ALA H . 50452 1 163 . 1 . 1 63 63 ALA C C 13 180.152 0.3 . 1 . . . . . 323 ALA C . 50452 1 164 . 1 . 1 63 63 ALA CA C 13 54.933 0.3 . 1 . . . . . 323 ALA CA . 50452 1 165 . 1 . 1 63 63 ALA CB C 13 18.636 0.3 . 1 . . . . . 323 ALA CB . 50452 1 166 . 1 . 1 63 63 ALA N N 15 123.487 0.3 . 1 . . . . . 323 ALA N . 50452 1 167 . 1 . 1 64 64 LEU H H 1 7.246 0.020 . 1 . . . . . 324 LEU H . 50452 1 168 . 1 . 1 64 64 LEU C C 13 177.778 0.3 . 1 . . . . . 324 LEU C . 50452 1 169 . 1 . 1 64 64 LEU CA C 13 58.556 0.3 . 1 . . . . . 324 LEU CA . 50452 1 170 . 1 . 1 64 64 LEU CB C 13 41.457 0.3 . 1 . . . . . 324 LEU CB . 50452 1 171 . 1 . 1 64 64 LEU N N 15 122.557 0.3 . 1 . . . . . 324 LEU N . 50452 1 172 . 1 . 1 65 65 ARG H H 1 8.108 0.020 . 1 . . . . . 325 ARG H . 50452 1 173 . 1 . 1 65 65 ARG C C 13 179.467 0.3 . 1 . . . . . 325 ARG C . 50452 1 174 . 1 . 1 65 65 ARG CA C 13 59.807 0.3 . 1 . . . . . 325 ARG CA . 50452 1 175 . 1 . 1 65 65 ARG CB C 13 29.943 0.3 . 1 . . . . . 325 ARG CB . 50452 1 176 . 1 . 1 65 65 ARG N N 15 119.652 0.3 . 1 . . . . . 325 ARG N . 50452 1 177 . 1 . 1 66 66 ALA H H 1 7.665 0.020 . 1 . . . . . 326 ALA H . 50452 1 178 . 1 . 1 66 66 ALA C C 13 180.303 0.3 . 1 . . . . . 326 ALA C . 50452 1 179 . 1 . 1 66 66 ALA CA C 13 54.835 0.3 . 1 . . . . . 326 ALA CA . 50452 1 180 . 1 . 1 66 66 ALA CB C 13 18.310 0.3 . 1 . . . . . 326 ALA CB . 50452 1 181 . 1 . 1 66 66 ALA N N 15 123.677 0.3 . 1 . . . . . 326 ALA N . 50452 1 182 . 1 . 1 67 67 GLN H H 1 7.770 0.020 . 1 . . . . . 327 GLN H . 50452 1 183 . 1 . 1 67 67 GLN C C 13 179.617 0.3 . 1 . . . . . 327 GLN C . 50452 1 184 . 1 . 1 67 67 GLN CA C 13 58.819 0.3 . 1 . . . . . 327 GLN CA . 50452 1 185 . 1 . 1 67 67 GLN CB C 13 29.081 0.3 . 1 . . . . . 327 GLN CB . 50452 1 186 . 1 . 1 67 67 GLN N N 15 119.482 0.3 . 1 . . . . . 327 GLN N . 50452 1 187 . 1 . 1 68 68 VAL H H 1 8.241 0.020 . 1 . . . . . 328 VAL H . 50452 1 188 . 1 . 1 68 68 VAL C C 13 178.196 0.3 . 1 . . . . . 328 VAL C . 50452 1 189 . 1 . 1 68 68 VAL CA C 13 65.468 0.3 . 1 . . . . . 328 VAL CA . 50452 1 190 . 1 . 1 68 68 VAL CB C 13 31.626 0.3 . 1 . . . . . 328 VAL CB . 50452 1 191 . 1 . 1 68 68 VAL N N 15 121.023 0.3 . 1 . . . . . 328 VAL N . 50452 1 192 . 1 . 1 69 69 GLY H H 1 7.570 0.020 . 1 . . . . . 329 GLY H . 50452 1 193 . 1 . 1 69 69 GLY C C 13 174.602 0.3 . 1 . . . . . 329 GLY C . 50452 1 194 . 1 . 1 69 69 GLY CA C 13 46.449 0.3 . 1 . . . . . 329 GLY CA . 50452 1 195 . 1 . 1 69 69 GLY N N 15 107.747 0.3 . 1 . . . . . 329 GLY N . 50452 1 196 . 1 . 1 70 70 THR H H 1 7.009 0.020 . 1 . . . . . 330 THR H . 50452 1 197 . 1 . 1 70 70 THR C C 13 175.031 0.3 . 1 . . . . . 330 THR C . 50452 1 198 . 1 . 1 70 70 THR CA C 13 61.221 0.3 . 1 . . . . . 330 THR CA . 50452 1 199 . 1 . 1 70 70 THR CB C 13 69.851 0.3 . 1 . . . . . 330 THR CB . 50452 1 200 . 1 . 1 70 70 THR N N 15 110.248 0.3 . 1 . . . . . 330 THR N . 50452 1 201 . 1 . 1 71 71 MET H H 1 7.372 0.020 . 1 . . . . . 331 MET H . 50452 1 202 . 1 . 1 71 71 MET C C 13 174.114 0.3 . 1 . . . . . 331 MET C . 50452 1 203 . 1 . 1 71 71 MET CA C 13 54.305 0.3 . 1 . . . . . 331 MET CA . 50452 1 204 . 1 . 1 71 71 MET CB C 13 32.127 0.3 . 1 . . . . . 331 MET CB . 50452 1 205 . 1 . 1 71 71 MET N N 15 126.091 0.3 . 1 . . . . . 331 MET N . 50452 1 206 . 1 . 1 73 73 VAL H H 1 8.481 0.020 . 1 . . . . . 333 VAL H . 50452 1 207 . 1 . 1 73 73 VAL CA C 13 65.234 0.3 . 1 . . . . . 333 VAL CA . 50452 1 208 . 1 . 1 73 73 VAL CB C 13 31.343 0.3 . 1 . . . . . 333 VAL CB . 50452 1 209 . 1 . 1 73 73 VAL N N 15 126.049 0.3 . 1 . . . . . 333 VAL N . 50452 1 210 . 1 . 1 74 74 GLY H H 1 8.641 0.020 . 1 . . . . . 334 GLY H . 50452 1 211 . 1 . 1 74 74 GLY C C 13 174.602 0.3 . 1 . . . . . 334 GLY C . 50452 1 212 . 1 . 1 74 74 GLY CA C 13 44.428 0.3 . 1 . . . . . 334 GLY CA . 50452 1 213 . 1 . 1 74 74 GLY N N 15 117.943 0.3 . 1 . . . . . 334 GLY N . 50452 1 214 . 1 . 1 75 75 SER H H 1 7.451 0.020 . 1 . . . . . 335 SER H . 50452 1 215 . 1 . 1 75 75 SER C C 13 172.495 0.3 . 1 . . . . . 335 SER C . 50452 1 216 . 1 . 1 75 75 SER CA C 13 60.397 0.3 . 1 . . . . . 335 SER CA . 50452 1 217 . 1 . 1 75 75 SER CB C 13 64.219 0.3 . 1 . . . . . 335 SER CB . 50452 1 218 . 1 . 1 75 75 SER N N 15 117.865 0.3 . 1 . . . . . 335 SER N . 50452 1 219 . 1 . 1 76 76 LYS H H 1 8.371 0.020 . 1 . . . . . 336 LYS H . 50452 1 220 . 1 . 1 76 76 LYS C C 13 175.989 0.3 . 1 . . . . . 336 LYS C . 50452 1 221 . 1 . 1 76 76 LYS CA C 13 55.456 0.3 . 1 . . . . . 336 LYS CA . 50452 1 222 . 1 . 1 76 76 LYS CB C 13 32.613 0.3 . 1 . . . . . 336 LYS CB . 50452 1 223 . 1 . 1 76 76 LYS N N 15 125.807 0.3 . 1 . . . . . 336 LYS N . 50452 1 224 . 1 . 1 77 77 LEU H H 1 8.835 0.020 . 1 . . . . . 337 LEU H . 50452 1 225 . 1 . 1 77 77 LEU C C 13 175.822 0.3 . 1 . . . . . 337 LEU C . 50452 1 226 . 1 . 1 77 77 LEU CA C 13 54.209 0.3 . 1 . . . . . 337 LEU CA . 50452 1 227 . 1 . 1 77 77 LEU CB C 13 44.555 0.3 . 1 . . . . . 337 LEU CB . 50452 1 228 . 1 . 1 77 77 LEU N N 15 126.196 0.3 . 1 . . . . . 337 LEU N . 50452 1 229 . 1 . 1 78 78 THR H H 1 8.372 0.020 . 1 . . . . . 338 THR H . 50452 1 230 . 1 . 1 78 78 THR C C 13 174.752 0.3 . 1 . . . . . 338 THR C . 50452 1 231 . 1 . 1 78 78 THR CA C 13 61.322 0.3 . 1 . . . . . 338 THR CA . 50452 1 232 . 1 . 1 78 78 THR CB C 13 70.519 0.3 . 1 . . . . . 338 THR CB . 50452 1 233 . 1 . 1 78 78 THR N N 15 119.207 0.3 . 1 . . . . . 338 THR N . 50452 1 234 . 1 . 1 79 79 LEU H H 1 8.992 0.020 . 1 . . . . . 339 LEU H . 50452 1 235 . 1 . 1 79 79 LEU C C 13 175.153 0.3 . 1 . . . . . 339 LEU C . 50452 1 236 . 1 . 1 79 79 LEU CA C 13 53.605 0.3 . 1 . . . . . 339 LEU CA . 50452 1 237 . 1 . 1 79 79 LEU CB C 13 44.079 0.3 . 1 . . . . . 339 LEU CB . 50452 1 238 . 1 . 1 79 79 LEU N N 15 130.774 0.3 . 1 . . . . . 339 LEU N . 50452 1 239 . 1 . 1 80 80 GLY H H 1 8.079 0.020 . 1 . . . . . 340 GLY H . 50452 1 240 . 1 . 1 80 80 GLY C C 13 173.114 0.3 . 1 . . . . . 340 GLY C . 50452 1 241 . 1 . 1 80 80 GLY CA C 13 44.544 0.3 . 1 . . . . . 340 GLY CA . 50452 1 242 . 1 . 1 80 80 GLY N N 15 114.175 0.3 . 1 . . . . . 340 GLY N . 50452 1 243 . 1 . 1 81 81 LEU H H 1 9.085 0.020 . 1 . . . . . 341 LEU H . 50452 1 244 . 1 . 1 81 81 LEU C C 13 175.705 0.3 . 1 . . . . . 341 LEU C . 50452 1 245 . 1 . 1 81 81 LEU CA C 13 53.089 0.3 . 1 . . . . . 341 LEU CA . 50452 1 246 . 1 . 1 81 81 LEU CB C 13 46.110 0.3 . 1 . . . . . 341 LEU CB . 50452 1 247 . 1 . 1 81 81 LEU N N 15 126.195 0.3 . 1 . . . . . 341 LEU N . 50452 1 248 . 1 . 1 82 82 LEU H H 1 9.007 0.020 . 1 . . . . . 342 LEU H . 50452 1 249 . 1 . 1 82 82 LEU C C 13 176.558 0.3 . 1 . . . . . 342 LEU C . 50452 1 250 . 1 . 1 82 82 LEU CA C 13 53.781 0.3 . 1 . . . . . 342 LEU CA . 50452 1 251 . 1 . 1 82 82 LEU CB C 13 44.577 0.3 . 1 . . . . . 342 LEU CB . 50452 1 252 . 1 . 1 82 82 LEU N N 15 124.370 0.3 . 1 . . . . . 342 LEU N . 50452 1 253 . 1 . 1 83 83 ARG H H 1 8.900 0.020 . 1 . . . . . 343 ARG H . 50452 1 254 . 1 . 1 83 83 ARG C C 13 175.872 0.3 . 1 . . . . . 343 ARG C . 50452 1 255 . 1 . 1 83 83 ARG CA C 13 55.263 0.3 . 1 . . . . . 343 ARG CA . 50452 1 256 . 1 . 1 83 83 ARG CB C 13 33.446 0.3 . 1 . . . . . 343 ARG CB . 50452 1 257 . 1 . 1 83 83 ARG N N 15 129.526 0.3 . 1 . . . . . 343 ARG N . 50452 1 258 . 1 . 1 84 84 ASP H H 1 9.365 0.020 . 1 . . . . . 344 ASP H . 50452 1 259 . 1 . 1 84 84 ASP C C 13 176.156 0.3 . 1 . . . . . 344 ASP C . 50452 1 260 . 1 . 1 84 84 ASP CA C 13 55.757 0.3 . 1 . . . . . 344 ASP CA . 50452 1 261 . 1 . 1 84 84 ASP CB C 13 40.056 0.3 . 1 . . . . . 344 ASP CB . 50452 1 262 . 1 . 1 84 84 ASP N N 15 132.908 0.3 . 1 . . . . . 344 ASP N . 50452 1 263 . 1 . 1 85 85 GLY H H 1 8.456 0.020 . 1 . . . . . 345 GLY H . 50452 1 264 . 1 . 1 85 85 GLY C C 13 173.849 0.3 . 1 . . . . . 345 GLY C . 50452 1 265 . 1 . 1 85 85 GLY CA C 13 45.487 0.3 . 1 . . . . . 345 GLY CA . 50452 1 266 . 1 . 1 85 85 GLY N N 15 104.985 0.3 . 1 . . . . . 345 GLY N . 50452 1 267 . 1 . 1 86 86 LYS H H 1 7.700 0.020 . 1 . . . . . 346 LYS H . 50452 1 268 . 1 . 1 86 86 LYS C C 13 174.969 0.3 . 1 . . . . . 346 LYS C . 50452 1 269 . 1 . 1 86 86 LYS CA C 13 54.604 0.3 . 1 . . . . . 346 LYS CA . 50452 1 270 . 1 . 1 86 86 LYS CB C 13 34.883 0.3 . 1 . . . . . 346 LYS CB . 50452 1 271 . 1 . 1 86 86 LYS N N 15 123.494 0.3 . 1 . . . . . 346 LYS N . 50452 1 272 . 1 . 1 87 87 GLN H H 1 8.232 0.020 . 1 . . . . . 347 GLN H . 50452 1 273 . 1 . 1 87 87 GLN C C 13 176.156 0.3 . 1 . . . . . 347 GLN C . 50452 1 274 . 1 . 1 87 87 GLN CA C 13 55.779 0.3 . 1 . . . . . 347 GLN CA . 50452 1 275 . 1 . 1 87 87 GLN CB C 13 28.978 0.3 . 1 . . . . . 347 GLN CB . 50452 1 276 . 1 . 1 87 87 GLN N N 15 124.058 0.3 . 1 . . . . . 347 GLN N . 50452 1 277 . 1 . 1 88 88 VAL H H 1 8.930 0.020 . 1 . . . . . 348 VAL H . 50452 1 278 . 1 . 1 88 88 VAL C C 13 173.866 0.3 . 1 . . . . . 348 VAL C . 50452 1 279 . 1 . 1 88 88 VAL CA C 13 61.157 0.3 . 1 . . . . . 348 VAL CA . 50452 1 280 . 1 . 1 88 88 VAL CB C 13 35.730 0.3 . 1 . . . . . 348 VAL CB . 50452 1 281 . 1 . 1 88 88 VAL N N 15 129.749 0.3 . 1 . . . . . 348 VAL N . 50452 1 282 . 1 . 1 89 89 ASN H H 1 8.353 0.020 . 1 . . . . . 349 ASN H . 50452 1 283 . 1 . 1 89 89 ASN C C 13 175.103 0.3 . 1 . . . . . 349 ASN C . 50452 1 284 . 1 . 1 89 89 ASN CA C 13 51.752 0.3 . 1 . . . . . 349 ASN CA . 50452 1 285 . 1 . 1 89 89 ASN CB C 13 40.832 0.3 . 1 . . . . . 349 ASN CB . 50452 1 286 . 1 . 1 89 89 ASN N N 15 126.030 0.3 . 1 . . . . . 349 ASN N . 50452 1 287 . 1 . 1 90 90 VAL H H 1 8.834 0.020 . 1 . . . . . 350 VAL H . 50452 1 288 . 1 . 1 90 90 VAL C C 13 173.849 0.3 . 1 . . . . . 350 VAL C . 50452 1 289 . 1 . 1 90 90 VAL CA C 13 59.847 0.3 . 1 . . . . . 350 VAL CA . 50452 1 290 . 1 . 1 90 90 VAL CB C 13 34.846 0.3 . 1 . . . . . 350 VAL CB . 50452 1 291 . 1 . 1 90 90 VAL N N 15 120.784 0.3 . 1 . . . . . 350 VAL N . 50452 1 292 . 1 . 1 91 91 ASN H H 1 8.500 0.020 . 1 . . . . . 351 ASN H . 50452 1 293 . 1 . 1 91 91 ASN CA C 13 52.101 0.3 . 1 . . . . . 351 ASN CA . 50452 1 294 . 1 . 1 91 91 ASN CB C 13 40.196 0.3 . 1 . . . . . 351 ASN CB . 50452 1 295 . 1 . 1 91 91 ASN N N 15 125.334 0.3 . 1 . . . . . 351 ASN N . 50452 1 296 . 1 . 1 92 92 LEU H H 1 8.779 0.020 . 1 . . . . . 352 LEU H . 50452 1 297 . 1 . 1 92 92 LEU C C 13 174.234 0.3 . 1 . . . . . 352 LEU C . 50452 1 298 . 1 . 1 92 92 LEU CA C 13 54.662 0.3 . 1 . . . . . 352 LEU CA . 50452 1 299 . 1 . 1 92 92 LEU CB C 13 45.210 0.3 . 1 . . . . . 352 LEU CB . 50452 1 300 . 1 . 1 92 92 LEU N N 15 125.090 0.3 . 1 . . . . . 352 LEU N . 50452 1 301 . 1 . 1 93 93 GLU H H 1 8.223 0.020 . 1 . . . . . 353 GLU H . 50452 1 302 . 1 . 1 93 93 GLU C C 13 176.307 0.3 . 1 . . . . . 353 GLU C . 50452 1 303 . 1 . 1 93 93 GLU CA C 13 54.505 0.3 . 1 . . . . . 353 GLU CA . 50452 1 304 . 1 . 1 93 93 GLU CB C 13 31.891 0.3 . 1 . . . . . 353 GLU CB . 50452 1 305 . 1 . 1 93 93 GLU N N 15 125.699 0.3 . 1 . . . . . 353 GLU N . 50452 1 306 . 1 . 1 94 94 LEU H H 1 8.483 0.020 . 1 . . . . . 354 LEU H . 50452 1 307 . 1 . 1 94 94 LEU C C 13 176.390 0.3 . 1 . . . . . 354 LEU C . 50452 1 308 . 1 . 1 94 94 LEU CA C 13 55.362 0.3 . 1 . . . . . 354 LEU CA . 50452 1 309 . 1 . 1 94 94 LEU CB C 13 42.547 0.3 . 1 . . . . . 354 LEU CB . 50452 1 310 . 1 . 1 94 94 LEU N N 15 129.431 0.3 . 1 . . . . . 354 LEU N . 50452 1 311 . 1 . 1 95 95 GLN H H 1 8.061 0.020 . 1 . . . . . 355 GLN H . 50452 1 312 . 1 . 1 95 95 GLN C C 13 175.320 0.3 . 1 . . . . . 355 GLN C . 50452 1 313 . 1 . 1 95 95 GLN CA C 13 55.098 0.3 . 1 . . . . . 355 GLN CA . 50452 1 314 . 1 . 1 95 95 GLN CB C 13 31.243 0.3 . 1 . . . . . 355 GLN CB . 50452 1 315 . 1 . 1 95 95 GLN N N 15 128.530 0.3 . 1 . . . . . 355 GLN N . 50452 1 316 . 1 . 1 96 96 GLN H H 1 8.483 0.020 . 1 . . . . . 356 GLN H . 50452 1 317 . 1 . 1 96 96 GLN C C 13 177.444 0.3 . 1 . . . . . 356 GLN C . 50452 1 318 . 1 . 1 96 96 GLN CA C 13 55.732 0.3 . 1 . . . . . 356 GLN CA . 50452 1 319 . 1 . 1 96 96 GLN CB C 13 29.603 0.3 . 1 . . . . . 356 GLN CB . 50452 1 320 . 1 . 1 96 96 GLN N N 15 122.492 0.3 . 1 . . . . . 356 GLN N . 50452 1 321 . 1 . 1 102 102 VAL H H 1 8.006 0.020 . 1 . . . . . 362 VAL H . 50452 1 322 . 1 . 1 102 102 VAL CA C 13 62.188 0.3 . 1 . . . . . 362 VAL CA . 50452 1 323 . 1 . 1 102 102 VAL CB C 13 32.663 0.3 . 1 . . . . . 362 VAL CB . 50452 1 324 . 1 . 1 102 102 VAL N N 15 123.951 0.3 . 1 . . . . . 362 VAL N . 50452 1 325 . 1 . 1 103 103 ASP H H 1 8.257 0.020 . 1 . . . . . 363 ASP H . 50452 1 326 . 1 . 1 103 103 ASP C C 13 175.605 0.3 . 1 . . . . . 363 ASP C . 50452 1 327 . 1 . 1 103 103 ASP CA C 13 54.242 0.3 . 1 . . . . . 363 ASP CA . 50452 1 328 . 1 . 1 103 103 ASP CB C 13 41.168 0.3 . 1 . . . . . 363 ASP CB . 50452 1 329 . 1 . 1 103 103 ASP N N 15 126.935 0.3 . 1 . . . . . 363 ASP N . 50452 1 330 . 1 . 1 107 107 ILE H H 1 7.613 0.020 . 1 . . . . . 367 ILE H . 50452 1 331 . 1 . 1 107 107 ILE C C 13 175.371 0.3 . 1 . . . . . 367 ILE C . 50452 1 332 . 1 . 1 107 107 ILE CA C 13 60.532 0.3 . 1 . . . . . 367 ILE CA . 50452 1 333 . 1 . 1 107 107 ILE CB C 13 39.734 0.3 . 1 . . . . . 367 ILE CB . 50452 1 334 . 1 . 1 107 107 ILE N N 15 123.556 0.3 . 1 . . . . . 367 ILE N . 50452 1 335 . 1 . 1 108 108 PHE H H 1 8.681 0.020 . 1 . . . . . 368 PHE H . 50452 1 336 . 1 . 1 108 108 PHE C C 13 175.070 0.3 . 1 . . . . . 368 PHE C . 50452 1 337 . 1 . 1 108 108 PHE CA C 13 56.737 0.3 . 1 . . . . . 368 PHE CA . 50452 1 338 . 1 . 1 108 108 PHE CB C 13 41.148 0.3 . 1 . . . . . 368 PHE CB . 50452 1 339 . 1 . 1 108 108 PHE N N 15 127.381 0.3 . 1 . . . . . 368 PHE N . 50452 1 340 . 1 . 1 111 111 ILE H H 1 7.325 0.020 . 1 . . . . . 371 ILE H . 50452 1 341 . 1 . 1 111 111 ILE C C 13 174.902 0.3 . 1 . . . . . 371 ILE C . 50452 1 342 . 1 . 1 111 111 ILE CA C 13 60.861 0.3 . 1 . . . . . 371 ILE CA . 50452 1 343 . 1 . 1 111 111 ILE CB C 13 37.249 0.3 . 1 . . . . . 371 ILE CB . 50452 1 344 . 1 . 1 111 111 ILE N N 15 121.987 0.3 . 1 . . . . . 371 ILE N . 50452 1 345 . 1 . 1 112 112 GLU H H 1 8.357 0.020 . 1 . . . . . 372 GLU H . 50452 1 346 . 1 . 1 112 112 GLU C C 13 175.672 0.3 . 1 . . . . . 372 GLU C . 50452 1 347 . 1 . 1 112 112 GLU CA C 13 59.116 0.3 . 1 . . . . . 372 GLU CA . 50452 1 348 . 1 . 1 112 112 GLU CB C 13 29.522 0.3 . 1 . . . . . 372 GLU CB . 50452 1 349 . 1 . 1 112 112 GLU N N 15 130.266 0.3 . 1 . . . . . 372 GLU N . 50452 1 350 . 1 . 1 113 113 GLY H H 1 8.428 0.020 . 1 . . . . . 373 GLY H . 50452 1 351 . 1 . 1 113 113 GLY C C 13 174.167 0.3 . 1 . . . . . 373 GLY C . 50452 1 352 . 1 . 1 113 113 GLY CA C 13 44.528 0.3 . 1 . . . . . 373 GLY CA . 50452 1 353 . 1 . 1 113 113 GLY N N 15 115.865 0.3 . 1 . . . . . 373 GLY N . 50452 1 354 . 1 . 1 114 114 ALA H H 1 8.063 0.020 . 1 . . . . . 374 ALA H . 50452 1 355 . 1 . 1 114 114 ALA C C 13 176.207 0.3 . 1 . . . . . 374 ALA C . 50452 1 356 . 1 . 1 114 114 ALA CA C 13 49.730 0.3 . 1 . . . . . 374 ALA CA . 50452 1 357 . 1 . 1 114 114 ALA CB C 13 21.280 0.3 . 1 . . . . . 374 ALA CB . 50452 1 358 . 1 . 1 114 114 ALA N N 15 125.109 0.3 . 1 . . . . . 374 ALA N . 50452 1 359 . 1 . 1 115 115 GLU H H 1 7.848 0.020 . 1 . . . . . 375 GLU H . 50452 1 360 . 1 . 1 115 115 GLU C C 13 176.123 0.3 . 1 . . . . . 375 GLU C . 50452 1 361 . 1 . 1 115 115 GLU CA C 13 55.597 0.3 . 1 . . . . . 375 GLU CA . 50452 1 362 . 1 . 1 115 115 GLU CB C 13 32.009 0.3 . 1 . . . . . 375 GLU CB . 50452 1 363 . 1 . 1 115 115 GLU N N 15 124.479 0.3 . 1 . . . . . 375 GLU N . 50452 1 364 . 1 . 1 116 116 MET H H 1 8.415 0.020 . 1 . . . . . 376 MET H . 50452 1 365 . 1 . 1 116 116 MET C C 13 174.602 0.3 . 1 . . . . . 376 MET C . 50452 1 366 . 1 . 1 116 116 MET CA C 13 54.725 0.3 . 1 . . . . . 376 MET CA . 50452 1 367 . 1 . 1 116 116 MET CB C 13 37.129 0.3 . 1 . . . . . 376 MET CB . 50452 1 368 . 1 . 1 116 116 MET N N 15 125.669 0.3 . 1 . . . . . 376 MET N . 50452 1 369 . 1 . 1 117 117 SER H H 1 8.757 0.020 . 1 . . . . . 377 SER H . 50452 1 370 . 1 . 1 117 117 SER C C 13 173.097 0.3 . 1 . . . . . 377 SER C . 50452 1 371 . 1 . 1 117 117 SER CA C 13 57.021 0.3 . 1 . . . . . 377 SER CA . 50452 1 372 . 1 . 1 117 117 SER CB C 13 66.146 0.3 . 1 . . . . . 377 SER CB . 50452 1 373 . 1 . 1 117 117 SER N N 15 116.309 0.3 . 1 . . . . . 377 SER N . 50452 1 374 . 1 . 1 118 118 ASN H H 1 8.823 0.020 . 1 . . . . . 378 ASN H . 50452 1 375 . 1 . 1 118 118 ASN CA C 13 54.237 0.3 . 1 . . . . . 378 ASN CA . 50452 1 376 . 1 . 1 118 118 ASN CB C 13 37.493 0.3 . 1 . . . . . 378 ASN CB . 50452 1 377 . 1 . 1 118 118 ASN N N 15 122.929 0.3 . 1 . . . . . 378 ASN N . 50452 1 378 . 1 . 1 119 119 LYS H H 1 8.532 0.020 . 1 . . . . . 379 LYS H . 50452 1 379 . 1 . 1 119 119 LYS C C 13 175.705 0.3 . 1 . . . . . 379 LYS C . 50452 1 380 . 1 . 1 119 119 LYS CA C 13 57.196 0.3 . 1 . . . . . 379 LYS CA . 50452 1 381 . 1 . 1 119 119 LYS CB C 13 32.741 0.3 . 1 . . . . . 379 LYS CB . 50452 1 382 . 1 . 1 119 119 LYS N N 15 128.400 0.3 . 1 . . . . . 379 LYS N . 50452 1 383 . 1 . 1 120 120 GLY H H 1 8.734 0.020 . 1 . . . . . 380 GLY H . 50452 1 384 . 1 . 1 120 120 GLY CA C 13 44.622 0.3 . 1 . . . . . 380 GLY CA . 50452 1 385 . 1 . 1 120 120 GLY N N 15 113.154 0.3 . 1 . . . . . 380 GLY N . 50452 1 386 . 1 . 1 122 122 ASP H H 1 8.388 0.020 . 1 . . . . . 382 ASP H . 50452 1 387 . 1 . 1 122 122 ASP C C 13 176.240 0.3 . 1 . . . . . 382 ASP C . 50452 1 388 . 1 . 1 122 122 ASP CA C 13 55.691 0.3 . 1 . . . . . 382 ASP CA . 50452 1 389 . 1 . 1 122 122 ASP CB C 13 38.718 0.3 . 1 . . . . . 382 ASP CB . 50452 1 390 . 1 . 1 122 122 ASP N N 15 120.575 0.3 . 1 . . . . . 382 ASP N . 50452 1 391 . 1 . 1 123 123 GLN H H 1 7.232 0.020 . 1 . . . . . 383 GLN H . 50452 1 392 . 1 . 1 123 123 GLN C C 13 174.904 0.3 . 1 . . . . . 383 GLN C . 50452 1 393 . 1 . 1 123 123 GLN CA C 13 55.460 0.3 . 1 . . . . . 383 GLN CA . 50452 1 394 . 1 . 1 123 123 GLN CB C 13 29.564 0.3 . 1 . . . . . 383 GLN CB . 50452 1 395 . 1 . 1 123 123 GLN N N 15 116.217 0.3 . 1 . . . . . 383 GLN N . 50452 1 396 . 1 . 1 124 124 GLY H H 1 7.824 0.020 . 1 . . . . . 384 GLY H . 50452 1 397 . 1 . 1 124 124 GLY C C 13 173.130 0.3 . 1 . . . . . 384 GLY C . 50452 1 398 . 1 . 1 124 124 GLY CA C 13 43.114 0.3 . 1 . . . . . 384 GLY CA . 50452 1 399 . 1 . 1 124 124 GLY N N 15 108.599 0.3 . 1 . . . . . 384 GLY N . 50452 1 400 . 1 . 1 125 125 VAL H H 1 8.016 0.020 . 1 . . . . . 385 VAL H . 50452 1 401 . 1 . 1 125 125 VAL C C 13 174.351 0.3 . 1 . . . . . 385 VAL C . 50452 1 402 . 1 . 1 125 125 VAL CA C 13 61.629 0.3 . 1 . . . . . 385 VAL CA . 50452 1 403 . 1 . 1 125 125 VAL CB C 13 34.701 0.3 . 1 . . . . . 385 VAL CB . 50452 1 404 . 1 . 1 125 125 VAL N N 15 122.682 0.3 . 1 . . . . . 385 VAL N . 50452 1 405 . 1 . 1 126 126 VAL H H 1 9.085 0.020 . 1 . . . . . 386 VAL H . 50452 1 406 . 1 . 1 126 126 VAL C C 13 173.732 0.3 . 1 . . . . . 386 VAL C . 50452 1 407 . 1 . 1 126 126 VAL CA C 13 60.005 0.3 . 1 . . . . . 386 VAL CA . 50452 1 408 . 1 . 1 126 126 VAL CB C 13 34.787 0.3 . 1 . . . . . 386 VAL CB . 50452 1 409 . 1 . 1 126 126 VAL N N 15 129.784 0.3 . 1 . . . . . 386 VAL N . 50452 1 410 . 1 . 1 127 127 VAL H H 1 8.559 0.020 . 1 . . . . . 387 VAL H . 50452 1 411 . 1 . 1 127 127 VAL CA C 13 62.168 0.3 . 1 . . . . . 387 VAL CA . 50452 1 412 . 1 . 1 127 127 VAL CB C 13 30.770 0.3 . 1 . . . . . 387 VAL CB . 50452 1 413 . 1 . 1 127 127 VAL N N 15 128.336 0.3 . 1 . . . . . 387 VAL N . 50452 1 414 . 1 . 1 128 128 ASN H H 1 9.085 0.020 . 1 . . . . . 388 ASN H . 50452 1 415 . 1 . 1 128 128 ASN C C 13 175.220 0.3 . 1 . . . . . 388 ASN C . 50452 1 416 . 1 . 1 128 128 ASN CA C 13 54.806 0.3 . 1 . . . . . 388 ASN CA . 50452 1 417 . 1 . 1 128 128 ASN CB C 13 39.662 0.3 . 1 . . . . . 388 ASN CB . 50452 1 418 . 1 . 1 128 128 ASN N N 15 130.594 0.3 . 1 . . . . . 388 ASN N . 50452 1 419 . 1 . 1 129 129 ASN H H 1 7.338 0.020 . 1 . . . . . 389 ASN H . 50452 1 420 . 1 . 1 129 129 ASN C C 13 172.930 0.3 . 1 . . . . . 389 ASN C . 50452 1 421 . 1 . 1 129 129 ASN CA C 13 53.748 0.3 . 1 . . . . . 389 ASN CA . 50452 1 422 . 1 . 1 129 129 ASN CB C 13 41.781 0.3 . 1 . . . . . 389 ASN CB . 50452 1 423 . 1 . 1 129 129 ASN N N 15 115.367 0.3 . 1 . . . . . 389 ASN N . 50452 1 424 . 1 . 1 130 130 VAL H H 1 8.113 0.020 . 1 . . . . . 390 VAL H . 50452 1 425 . 1 . 1 130 130 VAL CA C 13 61.658 0.3 . 1 . . . . . 390 VAL CA . 50452 1 426 . 1 . 1 130 130 VAL CB C 13 34.885 0.3 . 1 . . . . . 390 VAL CB . 50452 1 427 . 1 . 1 130 130 VAL N N 15 124.521 0.3 . 1 . . . . . 390 VAL N . 50452 1 428 . 1 . 1 131 131 LYS H H 1 8.521 0.020 . 1 . . . . . 391 LYS H . 50452 1 429 . 1 . 1 131 131 LYS C C 13 176.541 0.3 . 1 . . . . . 391 LYS C . 50452 1 430 . 1 . 1 131 131 LYS CA C 13 55.773 0.3 . 1 . . . . . 391 LYS CA . 50452 1 431 . 1 . 1 131 131 LYS CB C 13 33.638 0.3 . 1 . . . . . 391 LYS CB . 50452 1 432 . 1 . 1 131 131 LYS N N 15 131.977 0.3 . 1 . . . . . 391 LYS N . 50452 1 433 . 1 . 1 132 132 THR H H 1 8.470 0.020 . 1 . . . . . 392 THR H . 50452 1 434 . 1 . 1 132 132 THR CA C 13 63.914 0.3 . 1 . . . . . 392 THR CA . 50452 1 435 . 1 . 1 132 132 THR CB C 13 68.913 0.3 . 1 . . . . . 392 THR CB . 50452 1 436 . 1 . 1 132 132 THR N N 15 123.909 0.3 . 1 . . . . . 392 THR N . 50452 1 437 . 1 . 1 133 133 GLY H H 1 8.696 0.020 . 1 . . . . . 393 GLY H . 50452 1 438 . 1 . 1 133 133 GLY CA C 13 45.877 0.3 . 1 . . . . . 393 GLY CA . 50452 1 439 . 1 . 1 133 133 GLY N N 15 113.822 0.3 . 1 . . . . . 393 GLY N . 50452 1 440 . 1 . 1 134 134 THR H H 1 6.793 0.020 . 1 . . . . . 394 THR H . 50452 1 441 . 1 . 1 134 134 THR C C 13 174.117 0.3 . 1 . . . . . 394 THR C . 50452 1 442 . 1 . 1 134 134 THR CA C 13 59.825 0.3 . 1 . . . . . 394 THR CA . 50452 1 443 . 1 . 1 134 134 THR CB C 13 69.491 0.3 . 1 . . . . . 394 THR CB . 50452 1 444 . 1 . 1 134 134 THR N N 15 110.669 0.3 . 1 . . . . . 394 THR N . 50452 1 445 . 1 . 1 136 136 ALA H H 1 8.136 0.020 . 1 . . . . . 396 ALA H . 50452 1 446 . 1 . 1 136 136 ALA C C 13 177.954 0.3 . 1 . . . . . 396 ALA C . 50452 1 447 . 1 . 1 136 136 ALA CA C 13 55.296 0.3 . 1 . . . . . 396 ALA CA . 50452 1 448 . 1 . 1 136 136 ALA CB C 13 20.205 0.3 . 1 . . . . . 396 ALA CB . 50452 1 449 . 1 . 1 136 136 ALA N N 15 118.139 0.3 . 1 . . . . . 396 ALA N . 50452 1 450 . 1 . 1 137 137 ALA H H 1 6.965 0.020 . 1 . . . . . 397 ALA H . 50452 1 451 . 1 . 1 137 137 ALA C C 13 181.857 0.3 . 1 . . . . . 397 ALA C . 50452 1 452 . 1 . 1 137 137 ALA CA C 13 54.374 0.3 . 1 . . . . . 397 ALA CA . 50452 1 453 . 1 . 1 137 137 ALA CB C 13 18.308 0.3 . 1 . . . . . 397 ALA CB . 50452 1 454 . 1 . 1 137 137 ALA N N 15 120.719 0.3 . 1 . . . . . 397 ALA N . 50452 1 455 . 1 . 1 138 138 GLN H H 1 8.248 0.020 . 1 . . . . . 398 GLN H . 50452 1 456 . 1 . 1 138 138 GLN C C 13 178.748 0.3 . 1 . . . . . 398 GLN C . 50452 1 457 . 1 . 1 138 138 GLN CA C 13 58.796 0.3 . 1 . . . . . 398 GLN CA . 50452 1 458 . 1 . 1 138 138 GLN CB C 13 28.142 0.3 . 1 . . . . . 398 GLN CB . 50452 1 459 . 1 . 1 138 138 GLN N N 15 122.962 0.3 . 1 . . . . . 398 GLN N . 50452 1 460 . 1 . 1 139 139 ILE H H 1 7.880 0.020 . 1 . . . . . 399 ILE H . 50452 1 461 . 1 . 1 139 139 ILE C C 13 176.219 0.3 . 1 . . . . . 399 ILE C . 50452 1 462 . 1 . 1 139 139 ILE CA C 13 62.669 0.3 . 1 . . . . . 399 ILE CA . 50452 1 463 . 1 . 1 139 139 ILE CB C 13 38.715 0.3 . 1 . . . . . 399 ILE CB . 50452 1 464 . 1 . 1 139 139 ILE N N 15 116.811 0.3 . 1 . . . . . 399 ILE N . 50452 1 465 . 1 . 1 140 140 GLY H H 1 7.097 0.020 . 1 . . . . . 400 GLY H . 50452 1 466 . 1 . 1 140 140 GLY C C 13 175.399 0.3 . 1 . . . . . 400 GLY C . 50452 1 467 . 1 . 1 140 140 GLY CA C 13 44.549 0.3 . 1 . . . . . 400 GLY CA . 50452 1 468 . 1 . 1 140 140 GLY N N 15 106.824 0.3 . 1 . . . . . 400 GLY N . 50452 1 469 . 1 . 1 141 141 LEU H H 1 7.005 0.020 . 1 . . . . . 401 LEU H . 50452 1 470 . 1 . 1 141 141 LEU C C 13 175.282 0.3 . 1 . . . . . 401 LEU C . 50452 1 471 . 1 . 1 141 141 LEU CA C 13 55.790 0.3 . 1 . . . . . 401 LEU CA . 50452 1 472 . 1 . 1 141 141 LEU CB C 13 43.636 0.3 . 1 . . . . . 401 LEU CB . 50452 1 473 . 1 . 1 141 141 LEU N N 15 123.163 0.3 . 1 . . . . . 401 LEU N . 50452 1 474 . 1 . 1 142 142 LYS H H 1 8.452 0.020 . 1 . . . . . 402 LYS H . 50452 1 475 . 1 . 1 142 142 LYS C C 13 175.466 0.3 . 1 . . . . . 402 LYS C . 50452 1 476 . 1 . 1 142 142 LYS CA C 13 54.439 0.3 . 1 . . . . . 402 LYS CA . 50452 1 477 . 1 . 1 142 142 LYS CB C 13 36.799 0.3 . 1 . . . . . 402 LYS CB . 50452 1 478 . 1 . 1 142 142 LYS N N 15 122.964 0.3 . 1 . . . . . 402 LYS N . 50452 1 479 . 1 . 1 143 143 LYS H H 1 8.308 0.020 . 1 . . . . . 403 LYS H . 50452 1 480 . 1 . 1 143 143 LYS C C 13 177.991 0.3 . 1 . . . . . 403 LYS C . 50452 1 481 . 1 . 1 143 143 LYS CA C 13 58.589 0.3 . 1 . . . . . 403 LYS CA . 50452 1 482 . 1 . 1 143 143 LYS CB C 13 32.381 0.3 . 1 . . . . . 403 LYS CB . 50452 1 483 . 1 . 1 143 143 LYS N N 15 123.379 0.3 . 1 . . . . . 403 LYS N . 50452 1 484 . 1 . 1 144 144 GLY H H 1 9.200 0.020 . 1 . . . . . 404 GLY H . 50452 1 485 . 1 . 1 144 144 GLY C C 13 174.513 0.3 . 1 . . . . . 404 GLY C . 50452 1 486 . 1 . 1 144 144 GLY CA C 13 44.506 0.3 . 1 . . . . . 404 GLY CA . 50452 1 487 . 1 . 1 144 144 GLY N N 15 119.614 0.3 . 1 . . . . . 404 GLY N . 50452 1 488 . 1 . 1 145 145 ASP H H 1 7.825 0.020 . 1 . . . . . 405 ASP H . 50452 1 489 . 1 . 1 145 145 ASP C C 13 175.165 0.3 . 1 . . . . . 405 ASP C . 50452 1 490 . 1 . 1 145 145 ASP CA C 13 55.737 0.3 . 1 . . . . . 405 ASP CA . 50452 1 491 . 1 . 1 145 145 ASP CB C 13 42.163 0.3 . 1 . . . . . 405 ASP CB . 50452 1 492 . 1 . 1 145 145 ASP N N 15 126.531 0.3 . 1 . . . . . 405 ASP N . 50452 1 493 . 1 . 1 146 146 VAL H H 1 7.921 0.020 . 1 . . . . . 406 VAL H . 50452 1 494 . 1 . 1 146 146 VAL C C 13 176.453 0.3 . 1 . . . . . 406 VAL C . 50452 1 495 . 1 . 1 146 146 VAL CA C 13 60.663 0.3 . 1 . . . . . 406 VAL CA . 50452 1 496 . 1 . 1 146 146 VAL CB C 13 33.925 0.3 . 1 . . . . . 406 VAL CB . 50452 1 497 . 1 . 1 146 146 VAL N N 15 121.241 0.3 . 1 . . . . . 406 VAL N . 50452 1 498 . 1 . 1 147 147 ILE H H 1 9.790 0.020 . 1 . . . . . 407 ILE H . 50452 1 499 . 1 . 1 147 147 ILE C C 13 175.834 0.3 . 1 . . . . . 407 ILE C . 50452 1 500 . 1 . 1 147 147 ILE CA C 13 62.279 0.3 . 1 . . . . . 407 ILE CA . 50452 1 501 . 1 . 1 147 147 ILE CB C 13 39.194 0.3 . 1 . . . . . 407 ILE CB . 50452 1 502 . 1 . 1 147 147 ILE N N 15 131.400 0.3 . 1 . . . . . 407 ILE N . 50452 1 503 . 1 . 1 148 148 ILE H H 1 8.255 0.020 . 1 . . . . . 408 ILE H . 50452 1 504 . 1 . 1 148 148 ILE C C 13 178.108 0.3 . 1 . . . . . 408 ILE C . 50452 1 505 . 1 . 1 148 148 ILE CA C 13 60.696 0.3 . 1 . . . . . 408 ILE CA . 50452 1 506 . 1 . 1 148 148 ILE CB C 13 39.769 0.3 . 1 . . . . . 408 ILE CB . 50452 1 507 . 1 . 1 148 148 ILE N N 15 120.208 0.3 . 1 . . . . . 408 ILE N . 50452 1 508 . 1 . 1 149 149 GLY H H 1 7.824 0.020 . 1 . . . . . 409 GLY H . 50452 1 509 . 1 . 1 149 149 GLY C C 13 171.353 0.3 . 1 . . . . . 409 GLY C . 50452 1 510 . 1 . 1 149 149 GLY CA C 13 45.860 0.3 . 1 . . . . . 409 GLY CA . 50452 1 511 . 1 . 1 149 149 GLY N N 15 114.651 0.3 . 1 . . . . . 409 GLY N . 50452 1 512 . 1 . 1 150 150 ALA H H 1 8.733 0.020 . 1 . . . . . 410 ALA H . 50452 1 513 . 1 . 1 150 150 ALA C C 13 176.085 0.3 . 1 . . . . . 410 ALA C . 50452 1 514 . 1 . 1 150 150 ALA CA C 13 51.377 0.3 . 1 . . . . . 410 ALA CA . 50452 1 515 . 1 . 1 150 150 ALA CB C 13 21.416 0.3 . 1 . . . . . 410 ALA CB . 50452 1 516 . 1 . 1 150 150 ALA N N 15 125.208 0.3 . 1 . . . . . 410 ALA N . 50452 1 517 . 1 . 1 151 151 ASN H H 1 9.351 0.020 . 1 . . . . . 411 ASN H . 50452 1 518 . 1 . 1 151 151 ASN C C 13 174.647 0.3 . 1 . . . . . 411 ASN C . 50452 1 519 . 1 . 1 151 151 ASN CA C 13 51.377 0.3 . 1 . . . . . 411 ASN CA . 50452 1 520 . 1 . 1 151 151 ASN CB C 13 36.224 0.3 . 1 . . . . . 411 ASN CB . 50452 1 521 . 1 . 1 151 151 ASN N N 15 125.478 0.3 . 1 . . . . . 411 ASN N . 50452 1 522 . 1 . 1 153 153 GLN H H 1 7.897 0.020 . 1 . . . . . 413 GLN H . 50452 1 523 . 1 . 1 153 153 GLN C C 13 175.337 0.3 . 1 . . . . . 413 GLN C . 50452 1 524 . 1 . 1 153 153 GLN CA C 13 53.917 0.3 . 1 . . . . . 413 GLN CA . 50452 1 525 . 1 . 1 153 153 GLN CB C 13 30.846 0.3 . 1 . . . . . 413 GLN CB . 50452 1 526 . 1 . 1 153 153 GLN N N 15 122.227 0.3 . 1 . . . . . 413 GLN N . 50452 1 527 . 1 . 1 154 154 ALA H H 1 8.445 0.020 . 1 . . . . . 414 ALA H . 50452 1 528 . 1 . 1 154 154 ALA C C 13 177.243 0.3 . 1 . . . . . 414 ALA C . 50452 1 529 . 1 . 1 154 154 ALA CA C 13 53.188 0.3 . 1 . . . . . 414 ALA CA . 50452 1 530 . 1 . 1 154 154 ALA CB C 13 18.885 0.3 . 1 . . . . . 414 ALA CB . 50452 1 531 . 1 . 1 154 154 ALA N N 15 129.642 0.3 . 1 . . . . . 414 ALA N . 50452 1 532 . 1 . 1 155 155 VAL H H 1 7.357 0.020 . 1 . . . . . 415 VAL H . 50452 1 533 . 1 . 1 155 155 VAL C C 13 174.966 0.3 . 1 . . . . . 415 VAL C . 50452 1 534 . 1 . 1 155 155 VAL CA C 13 61.080 0.3 . 1 . . . . . 415 VAL CA . 50452 1 535 . 1 . 1 155 155 VAL CB C 13 34.691 0.3 . 1 . . . . . 415 VAL CB . 50452 1 536 . 1 . 1 155 155 VAL N N 15 123.263 0.3 . 1 . . . . . 415 VAL N . 50452 1 537 . 1 . 1 156 156 LYS H H 1 8.781 0.020 . 1 . . . . . 416 LYS H . 50452 1 538 . 1 . 1 156 156 LYS C C 13 176.340 0.3 . 1 . . . . . 416 LYS C . 50452 1 539 . 1 . 1 156 156 LYS CA C 13 56.387 0.3 . 1 . . . . . 416 LYS CA . 50452 1 540 . 1 . 1 156 156 LYS CB C 13 34.279 0.3 . 1 . . . . . 416 LYS CB . 50452 1 541 . 1 . 1 156 156 LYS N N 15 124.759 0.3 . 1 . . . . . 416 LYS N . 50452 1 542 . 1 . 1 157 157 ASN H H 1 7.091 0.020 . 1 . . . . . 417 ASN H . 50452 1 543 . 1 . 1 157 157 ASN C C 13 175.371 0.3 . 1 . . . . . 417 ASN C . 50452 1 544 . 1 . 1 157 157 ASN CA C 13 52.365 0.3 . 1 . . . . . 417 ASN CA . 50452 1 545 . 1 . 1 157 157 ASN CB C 13 39.848 0.3 . 1 . . . . . 417 ASN CB . 50452 1 546 . 1 . 1 157 157 ASN N N 15 112.483 0.3 . 1 . . . . . 417 ASN N . 50452 1 547 . 1 . 1 158 158 ILE H H 1 9.602 0.020 . 1 . . . . . 418 ILE H . 50452 1 548 . 1 . 1 158 158 ILE C C 13 176.658 0.3 . 1 . . . . . 418 ILE C . 50452 1 549 . 1 . 1 158 158 ILE CA C 13 65.076 0.3 . 1 . . . . . 418 ILE CA . 50452 1 550 . 1 . 1 158 158 ILE CB C 13 38.017 0.3 . 1 . . . . . 418 ILE CB . 50452 1 551 . 1 . 1 158 158 ILE N N 15 121.576 0.3 . 1 . . . . . 418 ILE N . 50452 1 552 . 1 . 1 159 159 ALA H H 1 8.046 0.020 . 1 . . . . . 419 ALA H . 50452 1 553 . 1 . 1 159 159 ALA C C 13 181.389 0.3 . 1 . . . . . 419 ALA C . 50452 1 554 . 1 . 1 159 159 ALA CA C 13 55.658 0.3 . 1 . . . . . 419 ALA CA . 50452 1 555 . 1 . 1 159 159 ALA CB C 13 17.544 0.3 . 1 . . . . . 419 ALA CB . 50452 1 556 . 1 . 1 159 159 ALA N N 15 127.636 0.3 . 1 . . . . . 419 ALA N . 50452 1 557 . 1 . 1 160 160 GLU H H 1 7.998 0.020 . 1 . . . . . 420 GLU H . 50452 1 558 . 1 . 1 160 160 GLU C C 13 179.166 0.3 . 1 . . . . . 420 GLU C . 50452 1 559 . 1 . 1 160 160 GLU CA C 13 59.610 0.3 . 1 . . . . . 420 GLU CA . 50452 1 560 . 1 . 1 160 160 GLU CB C 13 30.212 0.3 . 1 . . . . . 420 GLU CB . 50452 1 561 . 1 . 1 160 160 GLU N N 15 120.666 0.3 . 1 . . . . . 420 GLU N . 50452 1 562 . 1 . 1 161 161 LEU H H 1 7.574 0.020 . 1 . . . . . 421 LEU H . 50452 1 563 . 1 . 1 161 161 LEU C C 13 178.129 0.3 . 1 . . . . . 421 LEU C . 50452 1 564 . 1 . 1 161 161 LEU CA C 13 57.472 0.3 . 1 . . . . . 421 LEU CA . 50452 1 565 . 1 . 1 161 161 LEU CB C 13 41.165 0.3 . 1 . . . . . 421 LEU CB . 50452 1 566 . 1 . 1 161 161 LEU N N 15 123.386 0.3 . 1 . . . . . 421 LEU N . 50452 1 567 . 1 . 1 162 162 ARG H H 1 8.569 0.020 . 1 . . . . . 422 ARG H . 50452 1 568 . 1 . 1 162 162 ARG C C 13 177.561 0.3 . 1 . . . . . 422 ARG C . 50452 1 569 . 1 . 1 162 162 ARG CA C 13 59.823 0.3 . 1 . . . . . 422 ARG CA . 50452 1 570 . 1 . 1 162 162 ARG CB C 13 29.856 0.3 . 1 . . . . . 422 ARG CB . 50452 1 571 . 1 . 1 162 162 ARG N N 15 121.179 0.3 . 1 . . . . . 422 ARG N . 50452 1 572 . 1 . 1 163 163 LYS H H 1 7.144 0.020 . 1 . . . . . 423 LYS H . 50452 1 573 . 1 . 1 163 163 LYS C C 13 179.684 0.3 . 1 . . . . . 423 LYS C . 50452 1 574 . 1 . 1 163 163 LYS CA C 13 59.831 0.3 . 1 . . . . . 423 LYS CA . 50452 1 575 . 1 . 1 163 163 LYS CB C 13 32.050 0.3 . 1 . . . . . 423 LYS CB . 50452 1 576 . 1 . 1 163 163 LYS N N 15 119.755 0.3 . 1 . . . . . 423 LYS N . 50452 1 577 . 1 . 1 164 164 VAL H H 1 7.172 0.020 . 1 . . . . . 424 VAL H . 50452 1 578 . 1 . 1 164 164 VAL C C 13 179.383 0.3 . 1 . . . . . 424 VAL C . 50452 1 579 . 1 . 1 164 164 VAL CA C 13 66.187 0.3 . 1 . . . . . 424 VAL CA . 50452 1 580 . 1 . 1 164 164 VAL CB C 13 31.754 0.3 . 1 . . . . . 424 VAL CB . 50452 1 581 . 1 . 1 164 164 VAL N N 15 120.757 0.3 . 1 . . . . . 424 VAL N . 50452 1 582 . 1 . 1 165 165 LEU H H 1 8.050 0.020 . 1 . . . . . 425 LEU H . 50452 1 583 . 1 . 1 165 165 LEU C C 13 180.470 0.3 . 1 . . . . . 425 LEU C . 50452 1 584 . 1 . 1 165 165 LEU CA C 13 58.325 0.3 . 1 . . . . . 425 LEU CA . 50452 1 585 . 1 . 1 165 165 LEU CB C 13 40.605 0.3 . 1 . . . . . 425 LEU CB . 50452 1 586 . 1 . 1 165 165 LEU N N 15 123.272 0.3 . 1 . . . . . 425 LEU N . 50452 1 587 . 1 . 1 166 166 ASP H H 1 8.676 0.020 . 1 . . . . . 426 ASP H . 50452 1 588 . 1 . 1 166 166 ASP CA C 13 56.603 0.3 . 1 . . . . . 426 ASP CA . 50452 1 589 . 1 . 1 166 166 ASP CB C 13 40.075 0.3 . 1 . . . . . 426 ASP CB . 50452 1 590 . 1 . 1 166 166 ASP N N 15 122.649 0.3 . 1 . . . . . 426 ASP N . 50452 1 591 . 1 . 1 167 167 SER H H 1 7.270 0.020 . 1 . . . . . 427 SER H . 50452 1 592 . 1 . 1 167 167 SER C C 13 173.582 0.3 . 1 . . . . . 427 SER C . 50452 1 593 . 1 . 1 167 167 SER CA C 13 59.511 0.3 . 1 . . . . . 427 SER CA . 50452 1 594 . 1 . 1 167 167 SER CB C 13 63.574 0.3 . 1 . . . . . 427 SER CB . 50452 1 595 . 1 . 1 167 167 SER N N 15 116.918 0.3 . 1 . . . . . 427 SER N . 50452 1 596 . 1 . 1 168 168 LYS H H 1 7.717 0.020 . 1 . . . . . 428 LYS H . 50452 1 597 . 1 . 1 168 168 LYS C C 13 172.963 0.3 . 1 . . . . . 428 LYS C . 50452 1 598 . 1 . 1 168 168 LYS CA C 13 55.948 0.3 . 1 . . . . . 428 LYS CA . 50452 1 599 . 1 . 1 168 168 LYS CB C 13 30.509 0.3 . 1 . . . . . 428 LYS CB . 50452 1 600 . 1 . 1 168 168 LYS N N 15 120.499 0.3 . 1 . . . . . 428 LYS N . 50452 1 601 . 1 . 1 171 171 VAL H H 1 7.182 0.020 . 1 . . . . . 431 VAL H . 50452 1 602 . 1 . 1 171 171 VAL C C 13 173.816 0.3 . 1 . . . . . 431 VAL C . 50452 1 603 . 1 . 1 171 171 VAL CA C 13 61.190 0.3 . 1 . . . . . 431 VAL CA . 50452 1 604 . 1 . 1 171 171 VAL CB C 13 34.582 0.3 . 1 . . . . . 431 VAL CB . 50452 1 605 . 1 . 1 171 171 VAL N N 15 120.540 0.3 . 1 . . . . . 431 VAL N . 50452 1 606 . 1 . 1 172 172 LEU H H 1 8.406 0.020 . 1 . . . . . 432 LEU H . 50452 1 607 . 1 . 1 172 172 LEU C C 13 173.247 0.3 . 1 . . . . . 432 LEU C . 50452 1 608 . 1 . 1 172 172 LEU CA C 13 53.913 0.3 . 1 . . . . . 432 LEU CA . 50452 1 609 . 1 . 1 172 172 LEU CB C 13 43.984 0.3 . 1 . . . . . 432 LEU CB . 50452 1 610 . 1 . 1 172 172 LEU N N 15 129.847 0.3 . 1 . . . . . 432 LEU N . 50452 1 611 . 1 . 1 173 173 ALA H H 1 8.860 0.020 . 1 . . . . . 433 ALA H . 50452 1 612 . 1 . 1 173 173 ALA N N 15 132.588 0.3 . 1 . . . . . 433 ALA N . 50452 1 613 . 1 . 1 174 174 LEU H H 1 8.976 0.020 . 1 . . . . . 434 LEU H . 50452 1 614 . 1 . 1 174 174 LEU C C 13 174.652 0.3 . 1 . . . . . 434 LEU C . 50452 1 615 . 1 . 1 174 174 LEU CA C 13 53.558 0.3 . 1 . . . . . 434 LEU CA . 50452 1 616 . 1 . 1 174 174 LEU CB C 13 44.558 0.3 . 1 . . . . . 434 LEU CB . 50452 1 617 . 1 . 1 174 174 LEU N N 15 126.124 0.3 . 1 . . . . . 434 LEU N . 50452 1 618 . 1 . 1 177 177 GLN H H 1 9.485 0.020 . 1 . . . . . 437 GLN H . 50452 1 619 . 1 . 1 177 177 GLN C C 13 174.904 0.3 . 1 . . . . . 437 GLN C . 50452 1 620 . 1 . 1 177 177 GLN CA C 13 54.380 0.3 . 1 . . . . . 437 GLN CA . 50452 1 621 . 1 . 1 177 177 GLN CB C 13 29.621 0.3 . 1 . . . . . 437 GLN CB . 50452 1 622 . 1 . 1 177 177 GLN N N 15 127.777 0.3 . 1 . . . . . 437 GLN N . 50452 1 623 . 1 . 1 178 178 ARG H H 1 8.507 0.020 . 1 . . . . . 438 ARG H . 50452 1 624 . 1 . 1 178 178 ARG C C 13 175.906 0.3 . 1 . . . . . 438 ARG C . 50452 1 625 . 1 . 1 178 178 ARG CA C 13 54.497 0.3 . 1 . . . . . 438 ARG CA . 50452 1 626 . 1 . 1 178 178 ARG CB C 13 32.008 0.3 . 1 . . . . . 438 ARG CB . 50452 1 627 . 1 . 1 178 178 ARG N N 15 134.157 0.3 . 1 . . . . . 438 ARG N . 50452 1 628 . 1 . 1 181 181 SER H H 1 7.716 0.020 . 1 . . . . . 441 SER H . 50452 1 629 . 1 . 1 181 181 SER C C 13 172.829 0.3 . 1 . . . . . 441 SER C . 50452 1 630 . 1 . 1 181 181 SER CA C 13 57.678 0.3 . 1 . . . . . 441 SER CA . 50452 1 631 . 1 . 1 181 181 SER CB C 13 65.592 0.3 . 1 . . . . . 441 SER CB . 50452 1 632 . 1 . 1 181 181 SER N N 15 118.146 0.3 . 1 . . . . . 441 SER N . 50452 1 633 . 1 . 1 182 182 THR H H 1 8.200 0.020 . 1 . . . . . 442 THR H . 50452 1 634 . 1 . 1 182 182 THR C C 13 174.267 0.3 . 1 . . . . . 442 THR C . 50452 1 635 . 1 . 1 182 182 THR CA C 13 61.026 0.3 . 1 . . . . . 442 THR CA . 50452 1 636 . 1 . 1 182 182 THR CB C 13 70.118 0.3 . 1 . . . . . 442 THR CB . 50452 1 637 . 1 . 1 182 182 THR N N 15 120.067 0.3 . 1 . . . . . 442 THR N . 50452 1 638 . 1 . 1 188 188 GLN H H 1 7.751 0.020 . 1 . . . . . 448 GLN H . 50452 1 639 . 1 . 1 188 188 GLN C C 13 179.634 0.3 . 1 . . . . . 448 GLN C . 50452 1 640 . 1 . 1 188 188 GLN CA C 13 56.746 0.3 . 1 . . . . . 448 GLN CA . 50452 1 641 . 1 . 1 188 188 GLN CB C 13 30.988 0.3 . 1 . . . . . 448 GLN CB . 50452 1 642 . 1 . 1 188 188 GLN N N 15 130.979 0.3 . 1 . . . . . 448 GLN N . 50452 1 stop_ save_