data_51683 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51683 _Entry.Title ; UGT2B17-C terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-01 _Entry.Accession_date 2022-11-01 _Entry.Last_release_date 2022-11-01 _Entry.Original_release_date 2022-11-01 _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 Anamika Sulekha . . . . 51683 2 Michael Osborne . J. . . 51683 3 Jadwiga Gasiorek . . . . 51683 4 Katherine Borden . L. B. . 51683 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of research in Immunology and Cancer, University of Montreal, Quebec, Canada' . 51683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 641 51683 '15N chemical shifts' 145 51683 '1H chemical shifts' 760 51683 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 . . 2023-06-26 2022-11-01 update BMRB 'update entry citation' 51683 1 . . 2023-02-02 2022-11-01 original author 'original release' 51683 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27446 'C-terminal of UGT1A4' 51683 BMRB 50789 'C-terminal of UGT2B7' 51683 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51683 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36757531 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N Backbone and sidechain chemical shift assignments of the C-terminal domain of human UDP-glucuronosyltransferase 2B17 (UGT2B17-C) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 67 _Citation.Page_last 73 _Citation.Year 2023 _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 Anamika Sulekha . . . . 51683 1 2 Michael Osborne . J. . . 51683 1 3 Jadwiga Gasiorek . . . . 51683 1 4 Katherine Borden . L. B. . 51683 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID UGT 51683 1 'backbone resonance assignment' 51683 1 'cancer therapy' 51683 1 'drug resistance' 51683 1 glucuronidation 51683 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51683 _Assembly.ID 1 _Assembly.Name UGT2B17-C _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 . _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 UGT2B17-C 1 $entity_1 . . yes native no no . . . 51683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51683 _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 ; GSEFGLHCKPAKPLPKEMEE FVQSSGENGIVVFSLGSMIS NMSEESANMIASALAQIPQK VLWRFDGKKPNTLGSNTRLY KWLPQNDLLGHPKTKAFITH GGTNGIYEAIYHGIPMVGIP LFADQHDNIAHMKAKGAALS VDIRTMSSRDLLNALKSVIN DPIYKENIMKLSRIHHD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 278-452 _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment C-terminus _Entity.Mutation nil _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'phase II detoxification enzyme' 51683 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 -2 GLY . 51683 1 2 -1 SER . 51683 1 3 278 GLU . 51683 1 4 279 PHE . 51683 1 5 280 GLY . 51683 1 6 281 LEU . 51683 1 7 282 HIS . 51683 1 8 283 CYS . 51683 1 9 284 LYS . 51683 1 10 285 PRO . 51683 1 11 286 ALA . 51683 1 12 287 LYS . 51683 1 13 288 PRO . 51683 1 14 289 LEU . 51683 1 15 290 PRO . 51683 1 16 291 LYS . 51683 1 17 292 GLU . 51683 1 18 293 MET . 51683 1 19 294 GLU . 51683 1 20 295 GLU . 51683 1 21 296 PHE . 51683 1 22 297 VAL . 51683 1 23 298 GLN . 51683 1 24 299 SER . 51683 1 25 300 SER . 51683 1 26 301 GLY . 51683 1 27 302 GLU . 51683 1 28 303 ASN . 51683 1 29 304 GLY . 51683 1 30 305 ILE . 51683 1 31 306 VAL . 51683 1 32 307 VAL . 51683 1 33 308 PHE . 51683 1 34 309 SER . 51683 1 35 310 LEU . 51683 1 36 311 GLY . 51683 1 37 312 SER . 51683 1 38 313 MET . 51683 1 39 314 ILE . 51683 1 40 315 SER . 51683 1 41 316 ASN . 51683 1 42 317 MET . 51683 1 43 318 SER . 51683 1 44 319 GLU . 51683 1 45 320 GLU . 51683 1 46 321 SER . 51683 1 47 322 ALA . 51683 1 48 323 ASN . 51683 1 49 324 MET . 51683 1 50 325 ILE . 51683 1 51 326 ALA . 51683 1 52 327 SER . 51683 1 53 328 ALA . 51683 1 54 329 LEU . 51683 1 55 330 ALA . 51683 1 56 331 GLN . 51683 1 57 332 ILE . 51683 1 58 333 PRO . 51683 1 59 334 GLN . 51683 1 60 335 LYS . 51683 1 61 336 VAL . 51683 1 62 337 LEU . 51683 1 63 338 TRP . 51683 1 64 339 ARG . 51683 1 65 340 PHE . 51683 1 66 341 ASP . 51683 1 67 342 GLY . 51683 1 68 343 LYS . 51683 1 69 344 LYS . 51683 1 70 345 PRO . 51683 1 71 346 ASN . 51683 1 72 347 THR . 51683 1 73 348 LEU . 51683 1 74 349 GLY . 51683 1 75 350 SER . 51683 1 76 351 ASN . 51683 1 77 352 THR . 51683 1 78 353 ARG . 51683 1 79 354 LEU . 51683 1 80 355 TYR . 51683 1 81 356 LYS . 51683 1 82 357 TRP . 51683 1 83 358 LEU . 51683 1 84 359 PRO . 51683 1 85 360 GLN . 51683 1 86 361 ASN . 51683 1 87 362 ASP . 51683 1 88 363 LEU . 51683 1 89 364 LEU . 51683 1 90 365 GLY . 51683 1 91 366 HIS . 51683 1 92 367 PRO . 51683 1 93 368 LYS . 51683 1 94 369 THR . 51683 1 95 370 LYS . 51683 1 96 371 ALA . 51683 1 97 372 PHE . 51683 1 98 373 ILE . 51683 1 99 374 THR . 51683 1 100 375 HIS . 51683 1 101 376 GLY . 51683 1 102 377 GLY . 51683 1 103 378 THR . 51683 1 104 379 ASN . 51683 1 105 380 GLY . 51683 1 106 381 ILE . 51683 1 107 382 TYR . 51683 1 108 383 GLU . 51683 1 109 384 ALA . 51683 1 110 385 ILE . 51683 1 111 386 TYR . 51683 1 112 387 HIS . 51683 1 113 388 GLY . 51683 1 114 389 ILE . 51683 1 115 390 PRO . 51683 1 116 391 MET . 51683 1 117 392 VAL . 51683 1 118 393 GLY . 51683 1 119 394 ILE . 51683 1 120 395 PRO . 51683 1 121 396 LEU . 51683 1 122 397 PHE . 51683 1 123 398 ALA . 51683 1 124 399 ASP . 51683 1 125 400 GLN . 51683 1 126 401 HIS . 51683 1 127 402 ASP . 51683 1 128 403 ASN . 51683 1 129 404 ILE . 51683 1 130 405 ALA . 51683 1 131 406 HIS . 51683 1 132 407 MET . 51683 1 133 408 LYS . 51683 1 134 409 ALA . 51683 1 135 410 LYS . 51683 1 136 411 GLY . 51683 1 137 412 ALA . 51683 1 138 413 ALA . 51683 1 139 414 LEU . 51683 1 140 415 SER . 51683 1 141 416 VAL . 51683 1 142 417 ASP . 51683 1 143 418 ILE . 51683 1 144 419 ARG . 51683 1 145 420 THR . 51683 1 146 421 MET . 51683 1 147 422 SER . 51683 1 148 423 SER . 51683 1 149 424 ARG . 51683 1 150 425 ASP . 51683 1 151 426 LEU . 51683 1 152 427 LEU . 51683 1 153 428 ASN . 51683 1 154 429 ALA . 51683 1 155 430 LEU . 51683 1 156 431 LYS . 51683 1 157 432 SER . 51683 1 158 433 VAL . 51683 1 159 434 ILE . 51683 1 160 435 ASN . 51683 1 161 436 ASP . 51683 1 162 437 PRO . 51683 1 163 438 ILE . 51683 1 164 439 TYR . 51683 1 165 440 LYS . 51683 1 166 441 GLU . 51683 1 167 442 ASN . 51683 1 168 443 ILE . 51683 1 169 444 MET . 51683 1 170 445 LYS . 51683 1 171 446 LEU . 51683 1 172 447 SER . 51683 1 173 448 ARG . 51683 1 174 449 ILE . 51683 1 175 450 HIS . 51683 1 176 451 HIS . 51683 1 177 452 ASP . 51683 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51683 1 . SER 2 2 51683 1 . GLU 3 3 51683 1 . PHE 4 4 51683 1 . GLY 5 5 51683 1 . LEU 6 6 51683 1 . HIS 7 7 51683 1 . CYS 8 8 51683 1 . LYS 9 9 51683 1 . PRO 10 10 51683 1 . ALA 11 11 51683 1 . LYS 12 12 51683 1 . PRO 13 13 51683 1 . LEU 14 14 51683 1 . PRO 15 15 51683 1 . LYS 16 16 51683 1 . GLU 17 17 51683 1 . MET 18 18 51683 1 . GLU 19 19 51683 1 . GLU 20 20 51683 1 . PHE 21 21 51683 1 . VAL 22 22 51683 1 . GLN 23 23 51683 1 . SER 24 24 51683 1 . SER 25 25 51683 1 . GLY 26 26 51683 1 . GLU 27 27 51683 1 . ASN 28 28 51683 1 . GLY 29 29 51683 1 . ILE 30 30 51683 1 . VAL 31 31 51683 1 . VAL 32 32 51683 1 . PHE 33 33 51683 1 . SER 34 34 51683 1 . LEU 35 35 51683 1 . GLY 36 36 51683 1 . SER 37 37 51683 1 . MET 38 38 51683 1 . ILE 39 39 51683 1 . SER 40 40 51683 1 . ASN 41 41 51683 1 . MET 42 42 51683 1 . SER 43 43 51683 1 . GLU 44 44 51683 1 . GLU 45 45 51683 1 . SER 46 46 51683 1 . ALA 47 47 51683 1 . ASN 48 48 51683 1 . MET 49 49 51683 1 . ILE 50 50 51683 1 . ALA 51 51 51683 1 . SER 52 52 51683 1 . ALA 53 53 51683 1 . LEU 54 54 51683 1 . ALA 55 55 51683 1 . GLN 56 56 51683 1 . ILE 57 57 51683 1 . PRO 58 58 51683 1 . GLN 59 59 51683 1 . LYS 60 60 51683 1 . VAL 61 61 51683 1 . LEU 62 62 51683 1 . TRP 63 63 51683 1 . ARG 64 64 51683 1 . PHE 65 65 51683 1 . ASP 66 66 51683 1 . GLY 67 67 51683 1 . LYS 68 68 51683 1 . LYS 69 69 51683 1 . PRO 70 70 51683 1 . ASN 71 71 51683 1 . THR 72 72 51683 1 . LEU 73 73 51683 1 . GLY 74 74 51683 1 . SER 75 75 51683 1 . ASN 76 76 51683 1 . THR 77 77 51683 1 . ARG 78 78 51683 1 . LEU 79 79 51683 1 . TYR 80 80 51683 1 . LYS 81 81 51683 1 . TRP 82 82 51683 1 . LEU 83 83 51683 1 . PRO 84 84 51683 1 . GLN 85 85 51683 1 . ASN 86 86 51683 1 . ASP 87 87 51683 1 . LEU 88 88 51683 1 . LEU 89 89 51683 1 . GLY 90 90 51683 1 . HIS 91 91 51683 1 . PRO 92 92 51683 1 . LYS 93 93 51683 1 . THR 94 94 51683 1 . LYS 95 95 51683 1 . ALA 96 96 51683 1 . PHE 97 97 51683 1 . ILE 98 98 51683 1 . THR 99 99 51683 1 . HIS 100 100 51683 1 . GLY 101 101 51683 1 . GLY 102 102 51683 1 . THR 103 103 51683 1 . ASN 104 104 51683 1 . GLY 105 105 51683 1 . ILE 106 106 51683 1 . TYR 107 107 51683 1 . GLU 108 108 51683 1 . ALA 109 109 51683 1 . ILE 110 110 51683 1 . TYR 111 111 51683 1 . HIS 112 112 51683 1 . GLY 113 113 51683 1 . ILE 114 114 51683 1 . PRO 115 115 51683 1 . MET 116 116 51683 1 . VAL 117 117 51683 1 . GLY 118 118 51683 1 . ILE 119 119 51683 1 . PRO 120 120 51683 1 . LEU 121 121 51683 1 . PHE 122 122 51683 1 . ALA 123 123 51683 1 . ASP 124 124 51683 1 . GLN 125 125 51683 1 . HIS 126 126 51683 1 . ASP 127 127 51683 1 . ASN 128 128 51683 1 . ILE 129 129 51683 1 . ALA 130 130 51683 1 . HIS 131 131 51683 1 . MET 132 132 51683 1 . LYS 133 133 51683 1 . ALA 134 134 51683 1 . LYS 135 135 51683 1 . GLY 136 136 51683 1 . ALA 137 137 51683 1 . ALA 138 138 51683 1 . LEU 139 139 51683 1 . SER 140 140 51683 1 . VAL 141 141 51683 1 . ASP 142 142 51683 1 . ILE 143 143 51683 1 . ARG 144 144 51683 1 . THR 145 145 51683 1 . MET 146 146 51683 1 . SER 147 147 51683 1 . SER 148 148 51683 1 . ARG 149 149 51683 1 . ASP 150 150 51683 1 . LEU 151 151 51683 1 . LEU 152 152 51683 1 . ASN 153 153 51683 1 . ALA 154 154 51683 1 . LEU 155 155 51683 1 . LYS 156 156 51683 1 . SER 157 157 51683 1 . VAL 158 158 51683 1 . ILE 159 159 51683 1 . ASN 160 160 51683 1 . ASP 161 161 51683 1 . PRO 162 162 51683 1 . ILE 163 163 51683 1 . TYR 164 164 51683 1 . LYS 165 165 51683 1 . GLU 166 166 51683 1 . ASN 167 167 51683 1 . ILE 168 168 51683 1 . MET 169 169 51683 1 . LYS 170 170 51683 1 . LEU 171 171 51683 1 . SER 172 172 51683 1 . ARG 173 173 51683 1 . ILE 174 174 51683 1 . HIS 175 175 51683 1 . HIS 176 176 51683 1 . ASP 177 177 51683 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 51683 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51683 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 51683 _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 RIPL . . plasmid . . pet28a . . . 51683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51683 _Sample.ID 1 _Sample.Name UGT2B17-C _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 UGT2B17-C '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51683 1 2 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 51683 1 3 DTT [U-2H] . . . . . . 1 . . mM . . . . 51683 1 4 DSS [U-2H] . . . . . . 1 . . mM . . . . 51683 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 51683 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51683 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 51683 _Sample_condition_list.ID 1 _Sample_condition_list.Name 298K _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' 0.2 . M 51683 1 pH 7.2 . pH 51683 1 pressure 1 . atm 51683 1 temperature 298 . K 51683 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51683 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51683 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51683 _Software.ID 2 _Software.Type . _Software.Name DANGLE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51683 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51683 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51683 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51683 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51683 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 2 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 1 7 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51683 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 51683 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name UGT2B17-C_reference1 _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 carbons' . . . . ppm 0 internal direct 1 . . . . . 51683 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51683 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51683 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 51683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UGT2B17-C _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' . . . 51683 1 3 '3D HNCO' . . . 51683 1 4 '3D C(CO)NH' . . . 51683 1 5 '3D HNCA' . . . 51683 1 6 '3D HNCACB' . . . 51683 1 7 '3D HNCACO' . . . 51683 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 3 $software_3 . . 51683 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 2 2 SER HA H 1 4.2592 0 . 1 . . . . . -1 SER HA . 51683 1 2 . 1 . 1 2 2 SER HB2 H 1 4.0351 0 . 2 . . . . . -1 SER HB2 . 51683 1 3 . 1 . 1 2 2 SER C C 13 175.45 0 . 1 . . . . . -1 SER C . 51683 1 4 . 1 . 1 2 2 SER CA C 13 56.6135 0 . 1 . . . . . -1 SER CA . 51683 1 5 . 1 . 1 2 2 SER CB C 13 63.7152 0 . 1 . . . . . -1 SER CB . 51683 1 6 . 1 . 1 3 3 GLU H H 1 8.346 0.005 . 1 . . . . . 278 GLU H . 51683 1 7 . 1 . 1 3 3 GLU HA H 1 4.271 0.008 . 1 . . . . . 278 GLU HA . 51683 1 8 . 1 . 1 3 3 GLU HB2 H 1 1.892 0.007 . 2 . . . . . 278 GLU HB2 . 51683 1 9 . 1 . 1 3 3 GLU HB3 H 1 1.960 0.008 . 2 . . . . . 278 GLU HB3 . 51683 1 10 . 1 . 1 3 3 GLU HG2 H 1 2.018 0.077 . 2 . . . . . 278 GLU HG2 . 51683 1 11 . 1 . 1 3 3 GLU HG3 H 1 2.085 0.134 . 2 . . . . . 278 GLU HG3 . 51683 1 12 . 1 . 1 3 3 GLU C C 13 176.407 0.000 . 1 . . . . . 278 GLU C . 51683 1 13 . 1 . 1 3 3 GLU CA C 13 56.894 0.492 . 1 . . . . . 278 GLU CA . 51683 1 14 . 1 . 1 3 3 GLU CB C 13 29.925 0.098 . 1 . . . . . 278 GLU CB . 51683 1 15 . 1 . 1 3 3 GLU CG C 13 36.260 0.102 . 1 . . . . . 278 GLU CG . 51683 1 16 . 1 . 1 3 3 GLU N N 15 121.055 0.039 . 1 . . . . . 278 GLU N . 51683 1 17 . 1 . 1 4 4 PHE H H 1 8.200 0.003 . 1 . . . . . 279 PHE H . 51683 1 18 . 1 . 1 4 4 PHE HA H 1 4.378 0.004 . 1 . . . . . 279 PHE HA . 51683 1 19 . 1 . 1 4 4 PHE HB2 H 1 3.063 0.007 . 2 . . . . . 279 PHE HB2 . 51683 1 20 . 1 . 1 4 4 PHE HB3 H 1 2.919 0.011 . 2 . . . . . 279 PHE HB3 . 51683 1 21 . 1 . 1 4 4 PHE C C 13 176.334 0.021 . 1 . . . . . 279 PHE C . 51683 1 22 . 1 . 1 4 4 PHE CA C 13 58.510 0.055 . 1 . . . . . 279 PHE CA . 51683 1 23 . 1 . 1 4 4 PHE CB C 13 39.521 0.142 . 1 . . . . . 279 PHE CB . 51683 1 24 . 1 . 1 4 4 PHE N N 15 120.384 0.025 . 1 . . . . . 279 PHE N . 51683 1 25 . 1 . 1 5 5 GLY H H 1 8.191 0.004 . 1 . . . . . 280 GLY H . 51683 1 26 . 1 . 1 5 5 GLY HA2 H 1 3.829 0.000 . 2 . . . . . 280 GLY HA2 . 51683 1 27 . 1 . 1 5 5 GLY HA3 H 1 3.820 0.002 . 2 . . . . . 280 GLY HA3 . 51683 1 28 . 1 . 1 5 5 GLY C C 13 174.317 0.007 . 1 . . . . . 280 GLY C . 51683 1 29 . 1 . 1 5 5 GLY CA C 13 45.756 0.085 . 1 . . . . . 280 GLY CA . 51683 1 30 . 1 . 1 5 5 GLY N N 15 108.815 0.013 . 1 . . . . . 280 GLY N . 51683 1 31 . 1 . 1 6 6 LEU H H 1 7.771 0.003 . 1 . . . . . 281 LEU H . 51683 1 32 . 1 . 1 6 6 LEU HA H 1 4.182 0.006 . 1 . . . . . 281 LEU HA . 51683 1 33 . 1 . 1 6 6 LEU HB2 H 1 1.503 0.015 . 2 . . . . . 281 LEU HB2 . 51683 1 34 . 1 . 1 6 6 LEU HB3 H 1 1.461 0.000 . 2 . . . . . 281 LEU HB3 . 51683 1 35 . 1 . 1 6 6 LEU HG H 1 1.407 0.000 . 1 . . . . . 281 LEU HG . 51683 1 36 . 1 . 1 6 6 LEU HD11 H 1 0.860 0.010 . 2 . . . . . 281 LEU HD11 . 51683 1 37 . 1 . 1 6 6 LEU HD12 H 1 0.860 0.010 . 2 . . . . . 281 LEU HD12 . 51683 1 38 . 1 . 1 6 6 LEU HD13 H 1 0.860 0.010 . 2 . . . . . 281 LEU HD13 . 51683 1 39 . 1 . 1 6 6 LEU HD21 H 1 0.891 0.000 . 2 . . . . . 281 LEU HD21 . 51683 1 40 . 1 . 1 6 6 LEU HD22 H 1 0.891 0.000 . 2 . . . . . 281 LEU HD22 . 51683 1 41 . 1 . 1 6 6 LEU HD23 H 1 0.891 0.000 . 2 . . . . . 281 LEU HD23 . 51683 1 42 . 1 . 1 6 6 LEU C C 13 177.071 0.003 . 1 . . . . . 281 LEU C . 51683 1 43 . 1 . 1 6 6 LEU CA C 13 55.839 0.114 . 1 . . . . . 281 LEU CA . 51683 1 44 . 1 . 1 6 6 LEU CB C 13 42.282 0.150 . 1 . . . . . 281 LEU CB . 51683 1 45 . 1 . 1 6 6 LEU CG C 13 27.008 0.174 . 1 . . . . . 281 LEU CG . 51683 1 46 . 1 . 1 6 6 LEU CD1 C 13 23.670 0.151 . 2 . . . . . 281 LEU CD1 . 51683 1 47 . 1 . 1 6 6 LEU CD2 C 13 25.053 0.173 . 2 . . . . . 281 LEU CD2 . 51683 1 48 . 1 . 1 6 6 LEU N N 15 120.660 0.018 . 1 . . . . . 281 LEU N . 51683 1 49 . 1 . 1 7 7 HIS H H 1 8.121 0.006 . 1 . . . . . 282 HIS H . 51683 1 50 . 1 . 1 7 7 HIS HA H 1 4.584 0.005 . 1 . . . . . 282 HIS HA . 51683 1 51 . 1 . 1 7 7 HIS HB2 H 1 3.005 0.000 . 2 . . . . . 282 HIS HB2 . 51683 1 52 . 1 . 1 7 7 HIS HB3 H 1 3.148 0.009 . 2 . . . . . 282 HIS HB3 . 51683 1 53 . 1 . 1 7 7 HIS C C 13 175.074 0.004 . 1 . . . . . 282 HIS C . 51683 1 54 . 1 . 1 7 7 HIS CA C 13 56.427 0.112 . 1 . . . . . 282 HIS CA . 51683 1 55 . 1 . 1 7 7 HIS CB C 13 30.989 0.154 . 1 . . . . . 282 HIS CB . 51683 1 56 . 1 . 1 7 7 HIS N N 15 118.130 0.044 . 1 . . . . . 282 HIS N . 51683 1 57 . 1 . 1 8 8 CYS H H 1 7.460 0.004 . 1 . . . . . 283 CYS H . 51683 1 58 . 1 . 1 8 8 CYS HA H 1 3.977 0.005 . 1 . . . . . 283 CYS HA . 51683 1 59 . 1 . 1 8 8 CYS HB2 H 1 2.145 0.010 . 1 . . . . . 283 CYS HB2 . 51683 1 60 . 1 . 1 8 8 CYS HG H 1 1.874 0.009 . 1 . . . . . 283 CYS HG . 51683 1 61 . 1 . 1 8 8 CYS C C 13 173.264 0.002 . 1 . . . . . 283 CYS C . 51683 1 62 . 1 . 1 8 8 CYS CA C 13 58.901 0.119 . 1 . . . . . 283 CYS CA . 51683 1 63 . 1 . 1 8 8 CYS CB C 13 27.944 0.151 . 1 . . . . . 283 CYS CB . 51683 1 64 . 1 . 1 8 8 CYS N N 15 119.587 0.051 . 1 . . . . . 283 CYS N . 51683 1 65 . 1 . 1 9 9 LYS H H 1 8.026 0.005 . 1 . . . . . 284 LYS H . 51683 1 66 . 1 . 1 9 9 LYS C C 13 173.155 0.000 . 1 . . . . . 284 LYS C . 51683 1 67 . 1 . 1 9 9 LYS CA C 13 53.531 0.000 . 1 . . . . . 284 LYS CA . 51683 1 68 . 1 . 1 9 9 LYS CB C 13 32.848 0.000 . 1 . . . . . 284 LYS CB . 51683 1 69 . 1 . 1 9 9 LYS N N 15 123.118 0.034 . 1 . . . . . 284 LYS N . 51683 1 70 . 1 . 1 10 10 PRO HA H 1 4.610 0.007 . 1 . . . . . 285 PRO HA . 51683 1 71 . 1 . 1 10 10 PRO HB2 H 1 2.087 0.018 . 1 . . . . . 285 PRO HB2 . 51683 1 72 . 1 . 1 10 10 PRO HG2 H 1 1.886 0.008 . 1 . . . . . 285 PRO HG2 . 51683 1 73 . 1 . 1 10 10 PRO HD2 H 1 3.628 0.008 . 1 . . . . . 285 PRO HD2 . 51683 1 74 . 1 . 1 10 10 PRO C C 13 176.816 0.000 . 1 . . . . . 285 PRO C . 51683 1 75 . 1 . 1 10 10 PRO CA C 13 63.214 0.111 . 1 . . . . . 285 PRO CA . 51683 1 76 . 1 . 1 10 10 PRO CB C 13 32.464 0.177 . 1 . . . . . 285 PRO CB . 51683 1 77 . 1 . 1 10 10 PRO CG C 13 27.727 0.193 . 1 . . . . . 285 PRO CG . 51683 1 78 . 1 . 1 10 10 PRO CD C 13 50.944 0.142 . 1 . . . . . 285 PRO CD . 51683 1 79 . 1 . 1 11 11 ALA H H 1 8.894 0.006 . 1 . . . . . 286 ALA H . 51683 1 80 . 1 . 1 11 11 ALA HA H 1 4.418 0.006 . 1 . . . . . 286 ALA HA . 51683 1 81 . 1 . 1 11 11 ALA HB1 H 1 1.492 0.007 . 1 . . . . . 286 ALA HB1 . 51683 1 82 . 1 . 1 11 11 ALA HB2 H 1 1.492 0.007 . 1 . . . . . 286 ALA HB2 . 51683 1 83 . 1 . 1 11 11 ALA HB3 H 1 1.492 0.007 . 1 . . . . . 286 ALA HB3 . 51683 1 84 . 1 . 1 11 11 ALA C C 13 177.261 0.006 . 1 . . . . . 286 ALA C . 51683 1 85 . 1 . 1 11 11 ALA CA C 13 52.409 0.093 . 1 . . . . . 286 ALA CA . 51683 1 86 . 1 . 1 11 11 ALA CB C 13 20.549 0.179 . 1 . . . . . 286 ALA CB . 51683 1 87 . 1 . 1 11 11 ALA N N 15 124.608 0.048 . 1 . . . . . 286 ALA N . 51683 1 88 . 1 . 1 12 12 LYS H H 1 8.797 0.003 . 1 . . . . . 287 LYS H . 51683 1 89 . 1 . 1 12 12 LYS C C 13 173.633 0.000 . 1 . . . . . 287 LYS C . 51683 1 90 . 1 . 1 12 12 LYS CA C 13 53.714 0.000 . 1 . . . . . 287 LYS CA . 51683 1 91 . 1 . 1 12 12 LYS CB C 13 32.164 0.000 . 1 . . . . . 287 LYS CB . 51683 1 92 . 1 . 1 12 12 LYS N N 15 125.253 0.023 . 1 . . . . . 287 LYS N . 51683 1 93 . 1 . 1 13 13 PRO HA H 1 4.343 0.003 . 1 . . . . . 288 PRO HA . 51683 1 94 . 1 . 1 13 13 PRO HB2 H 1 2.437 0.003 . 2 . . . . . 288 PRO HB2 . 51683 1 95 . 1 . 1 13 13 PRO HB3 H 1 2.139 0.007 . 2 . . . . . 288 PRO HB3 . 51683 1 96 . 1 . 1 13 13 PRO HG2 H 1 1.675 0.013 . 2 . . . . . 288 PRO HG2 . 51683 1 97 . 1 . 1 13 13 PRO HG3 H 1 1.792 0.003 . 2 . . . . . 288 PRO HG3 . 51683 1 98 . 1 . 1 13 13 PRO HD2 H 1 3.826 0.008 . 1 . . . . . 288 PRO HD2 . 51683 1 99 . 1 . 1 13 13 PRO C C 13 177.399 0.000 . 1 . . . . . 288 PRO C . 51683 1 100 . 1 . 1 13 13 PRO CA C 13 63.247 0.114 . 1 . . . . . 288 PRO CA . 51683 1 101 . 1 . 1 13 13 PRO CB C 13 32.427 0.085 . 1 . . . . . 288 PRO CB . 51683 1 102 . 1 . 1 13 13 PRO CG C 13 27.931 0.090 . 1 . . . . . 288 PRO CG . 51683 1 103 . 1 . 1 13 13 PRO CD C 13 51.035 0.142 . 1 . . . . . 288 PRO CD . 51683 1 104 . 1 . 1 14 14 LEU H H 1 8.868 0.006 . 1 . . . . . 289 LEU H . 51683 1 105 . 1 . 1 14 14 LEU C C 13 175.402 0.000 . 1 . . . . . 289 LEU C . 51683 1 106 . 1 . 1 14 14 LEU CA C 13 52.751 0.000 . 1 . . . . . 289 LEU CA . 51683 1 107 . 1 . 1 14 14 LEU CB C 13 40.919 0.000 . 1 . . . . . 289 LEU CB . 51683 1 108 . 1 . 1 14 14 LEU N N 15 122.705 0.116 . 1 . . . . . 289 LEU N . 51683 1 109 . 1 . 1 15 15 PRO HA H 1 4.611 0.008 . 1 . . . . . 290 PRO HA . 51683 1 110 . 1 . 1 15 15 PRO HB2 H 1 2.058 0.001 . 2 . . . . . 290 PRO HB2 . 51683 1 111 . 1 . 1 15 15 PRO HB3 H 1 2.065 0.009 . 2 . . . . . 290 PRO HB3 . 51683 1 112 . 1 . 1 15 15 PRO C C 13 177.964 0.000 . 1 . . . . . 290 PRO C . 51683 1 113 . 1 . 1 15 15 PRO CA C 13 63.196 0.112 . 1 . . . . . 290 PRO CA . 51683 1 114 . 1 . 1 15 15 PRO CB C 13 32.656 0.163 . 1 . . . . . 290 PRO CB . 51683 1 115 . 1 . 1 15 15 PRO CG C 13 28.222 0.104 . 1 . . . . . 290 PRO CG . 51683 1 116 . 1 . 1 15 15 PRO CD C 13 50.406 0.000 . 1 . . . . . 290 PRO CD . 51683 1 117 . 1 . 1 16 16 LYS H H 1 8.855 0.005 . 1 . . . . . 291 LYS H . 51683 1 118 . 1 . 1 16 16 LYS HA H 1 4.058 0.007 . 1 . . . . . 291 LYS HA . 51683 1 119 . 1 . 1 16 16 LYS HB2 H 1 1.893 0.001 . 2 . . . . . 291 LYS HB2 . 51683 1 120 . 1 . 1 16 16 LYS HB3 H 1 2.058 0.008 . 2 . . . . . 291 LYS HB3 . 51683 1 121 . 1 . 1 16 16 LYS HG2 H 1 1.470 0.009 . 2 . . . . . 291 LYS HG2 . 51683 1 122 . 1 . 1 16 16 LYS HG3 H 1 1.581 0.004 . 2 . . . . . 291 LYS HG3 . 51683 1 123 . 1 . 1 16 16 LYS HD2 H 1 1.797 0.011 . 1 . . . . . 291 LYS HD2 . 51683 1 124 . 1 . 1 16 16 LYS HE2 H 1 3.088 0.004 . 1 . . . . . 291 LYS HE2 . 51683 1 125 . 1 . 1 16 16 LYS C C 13 178.331 0.015 . 1 . . . . . 291 LYS C . 51683 1 126 . 1 . 1 16 16 LYS CA C 13 60.895 0.090 . 1 . . . . . 291 LYS CA . 51683 1 127 . 1 . 1 16 16 LYS CB C 13 32.885 0.154 . 1 . . . . . 291 LYS CB . 51683 1 128 . 1 . 1 16 16 LYS CG C 13 24.604 0.132 . 1 . . . . . 291 LYS CG . 51683 1 129 . 1 . 1 16 16 LYS CD C 13 29.446 0.139 . 1 . . . . . 291 LYS CD . 51683 1 130 . 1 . 1 16 16 LYS CE C 13 42.321 0.129 . 1 . . . . . 291 LYS CE . 51683 1 131 . 1 . 1 16 16 LYS N N 15 125.675 0.040 . 1 . . . . . 291 LYS N . 51683 1 132 . 1 . 1 17 17 GLU H H 1 9.432 0.006 . 1 . . . . . 292 GLU H . 51683 1 133 . 1 . 1 17 17 GLU HA H 1 4.278 0.005 . 1 . . . . . 292 GLU HA . 51683 1 134 . 1 . 1 17 17 GLU HB2 H 1 2.196 0.006 . 1 . . . . . 292 GLU HB2 . 51683 1 135 . 1 . 1 17 17 GLU HG2 H 1 2.481 0.006 . 1 . . . . . 292 GLU HG2 . 51683 1 136 . 1 . 1 17 17 GLU C C 13 179.274 0.003 . 1 . . . . . 292 GLU C . 51683 1 137 . 1 . 1 17 17 GLU CA C 13 59.903 0.088 . 1 . . . . . 292 GLU CA . 51683 1 138 . 1 . 1 17 17 GLU CB C 13 28.766 0.211 . 1 . . . . . 292 GLU CB . 51683 1 139 . 1 . 1 17 17 GLU CG C 13 36.728 0.097 . 1 . . . . . 292 GLU CG . 51683 1 140 . 1 . 1 17 17 GLU N N 15 117.277 0.030 . 1 . . . . . 292 GLU N . 51683 1 141 . 1 . 1 18 18 MET H H 1 7.403 0.004 . 1 . . . . . 293 MET H . 51683 1 142 . 1 . 1 18 18 MET HA H 1 4.285 0.007 . 1 . . . . . 293 MET HA . 51683 1 143 . 1 . 1 18 18 MET HB2 H 1 2.044 0.000 . 1 . . . . . 293 MET HB2 . 51683 1 144 . 1 . 1 18 18 MET HG2 H 1 2.345 0.008 . 2 . . . . . 293 MET HG2 . 51683 1 145 . 1 . 1 18 18 MET HG3 H 1 2.469 0.009 . 2 . . . . . 293 MET HG3 . 51683 1 146 . 1 . 1 18 18 MET C C 13 177.332 0.005 . 1 . . . . . 293 MET C . 51683 1 147 . 1 . 1 18 18 MET CA C 13 59.221 0.126 . 1 . . . . . 293 MET CA . 51683 1 148 . 1 . 1 18 18 MET CB C 13 34.361 0.191 . 1 . . . . . 293 MET CB . 51683 1 149 . 1 . 1 18 18 MET CG C 13 32.618 0.060 . 1 . . . . . 293 MET CG . 51683 1 150 . 1 . 1 18 18 MET N N 15 121.656 0.021 . 1 . . . . . 293 MET N . 51683 1 151 . 1 . 1 19 19 GLU H H 1 8.689 0.004 . 1 . . . . . 294 GLU H . 51683 1 152 . 1 . 1 19 19 GLU HA H 1 4.098 0.001 . 1 . . . . . 294 GLU HA . 51683 1 153 . 1 . 1 19 19 GLU HB2 H 1 2.087 0.000 . 1 . . . . . 294 GLU HB2 . 51683 1 154 . 1 . 1 19 19 GLU HG2 H 1 2.239 0.003 . 1 . . . . . 294 GLU HG2 . 51683 1 155 . 1 . 1 19 19 GLU C C 13 178.410 0.000 . 1 . . . . . 294 GLU C . 51683 1 156 . 1 . 1 19 19 GLU CA C 13 59.287 0.122 . 1 . . . . . 294 GLU CA . 51683 1 157 . 1 . 1 19 19 GLU CB C 13 28.690 0.194 . 1 . . . . . 294 GLU CB . 51683 1 158 . 1 . 1 19 19 GLU CG C 13 34.970 0.745 . 1 . . . . . 294 GLU CG . 51683 1 159 . 1 . 1 19 19 GLU N N 15 121.700 0.031 . 1 . . . . . 294 GLU N . 51683 1 160 . 1 . 1 20 20 GLU H H 1 8.298 0.006 . 1 . . . . . 295 GLU H . 51683 1 161 . 1 . 1 20 20 GLU HA H 1 4.044 0.009 . 1 . . . . . 295 GLU HA . 51683 1 162 . 1 . 1 20 20 GLU HB2 H 1 2.188 0.015 . 2 . . . . . 295 GLU HB2 . 51683 1 163 . 1 . 1 20 20 GLU HB3 H 1 2.217 0.000 . 2 . . . . . 295 GLU HB3 . 51683 1 164 . 1 . 1 20 20 GLU HG2 H 1 2.335 0.002 . 2 . . . . . 295 GLU HG2 . 51683 1 165 . 1 . 1 20 20 GLU HG3 H 1 2.554 0.007 . 2 . . . . . 295 GLU HG3 . 51683 1 166 . 1 . 1 20 20 GLU C C 13 179.465 0.001 . 1 . . . . . 295 GLU C . 51683 1 167 . 1 . 1 20 20 GLU CA C 13 60.001 0.110 . 1 . . . . . 295 GLU CA . 51683 1 168 . 1 . 1 20 20 GLU CB C 13 29.480 0.171 . 1 . . . . . 295 GLU CB . 51683 1 169 . 1 . 1 20 20 GLU CG C 13 36.819 0.074 . 1 . . . . . 295 GLU CG . 51683 1 170 . 1 . 1 20 20 GLU N N 15 117.830 0.037 . 1 . . . . . 295 GLU N . 51683 1 171 . 1 . 1 21 21 PHE H H 1 7.484 0.003 . 1 . . . . . 296 PHE H . 51683 1 172 . 1 . 1 21 21 PHE HA H 1 4.541 0.006 . 1 . . . . . 296 PHE HA . 51683 1 173 . 1 . 1 21 21 PHE HB2 H 1 3.424 0.014 . 2 . . . . . 296 PHE HB2 . 51683 1 174 . 1 . 1 21 21 PHE HB3 H 1 1.890 0.000 . 2 . . . . . 296 PHE HB3 . 51683 1 175 . 1 . 1 21 21 PHE C C 13 179.132 0.007 . 1 . . . . . 296 PHE C . 51683 1 176 . 1 . 1 21 21 PHE CA C 13 61.046 0.100 . 1 . . . . . 296 PHE CA . 51683 1 177 . 1 . 1 21 21 PHE CB C 13 39.454 0.203 . 1 . . . . . 296 PHE CB . 51683 1 178 . 1 . 1 21 21 PHE N N 15 120.706 0.045 . 1 . . . . . 296 PHE N . 51683 1 179 . 1 . 1 22 22 VAL H H 1 8.795 0.003 . 1 . . . . . 297 VAL H . 51683 1 180 . 1 . 1 22 22 VAL HA H 1 3.139 0.004 . 1 . . . . . 297 VAL HA . 51683 1 181 . 1 . 1 22 22 VAL HB H 1 1.983 0.003 . 1 . . . . . 297 VAL HB . 51683 1 182 . 1 . 1 22 22 VAL HG11 H 1 0.798 0.005 . 2 . . . . . 297 VAL HG11 . 51683 1 183 . 1 . 1 22 22 VAL HG12 H 1 0.798 0.005 . 2 . . . . . 297 VAL HG12 . 51683 1 184 . 1 . 1 22 22 VAL HG13 H 1 0.798 0.005 . 2 . . . . . 297 VAL HG13 . 51683 1 185 . 1 . 1 22 22 VAL HG21 H 1 0.152 0.008 . 2 . . . . . 297 VAL HG21 . 51683 1 186 . 1 . 1 22 22 VAL HG22 H 1 0.152 0.008 . 2 . . . . . 297 VAL HG22 . 51683 1 187 . 1 . 1 22 22 VAL HG23 H 1 0.152 0.008 . 2 . . . . . 297 VAL HG23 . 51683 1 188 . 1 . 1 22 22 VAL C C 13 179.783 0.011 . 1 . . . . . 297 VAL C . 51683 1 189 . 1 . 1 22 22 VAL CA C 13 66.868 0.066 . 1 . . . . . 297 VAL CA . 51683 1 190 . 1 . 1 22 22 VAL CB C 13 31.314 0.163 . 1 . . . . . 297 VAL CB . 51683 1 191 . 1 . 1 22 22 VAL CG1 C 13 20.456 0.105 . 2 . . . . . 297 VAL CG1 . 51683 1 192 . 1 . 1 22 22 VAL CG2 C 13 23.208 0.129 . 2 . . . . . 297 VAL CG2 . 51683 1 193 . 1 . 1 22 22 VAL N N 15 121.421 0.072 . 1 . . . . . 297 VAL N . 51683 1 194 . 1 . 1 23 23 GLN H H 1 9.231 0.003 . 1 . . . . . 298 GLN H . 51683 1 195 . 1 . 1 23 23 GLN HA H 1 4.003 0.005 . 1 . . . . . 298 GLN HA . 51683 1 196 . 1 . 1 23 23 GLN HB2 H 1 2.159 0.000 . 2 . . . . . 298 GLN HB2 . 51683 1 197 . 1 . 1 23 23 GLN HB3 H 1 2.331 0.003 . 2 . . . . . 298 GLN HB3 . 51683 1 198 . 1 . 1 23 23 GLN HG2 H 1 2.688 0.005 . 1 . . . . . 298 GLN HG2 . 51683 1 199 . 1 . 1 23 23 GLN C C 13 178.921 0.007 . 1 . . . . . 298 GLN C . 51683 1 200 . 1 . 1 23 23 GLN CA C 13 58.743 0.124 . 1 . . . . . 298 GLN CA . 51683 1 201 . 1 . 1 23 23 GLN CB C 13 27.333 0.164 . 1 . . . . . 298 GLN CB . 51683 1 202 . 1 . 1 23 23 GLN CG C 13 33.272 0.108 . 1 . . . . . 298 GLN CG . 51683 1 203 . 1 . 1 23 23 GLN N N 15 120.545 0.037 . 1 . . . . . 298 GLN N . 51683 1 204 . 1 . 1 24 24 SER H H 1 7.796 0.004 . 1 . . . . . 299 SER H . 51683 1 205 . 1 . 1 24 24 SER HA H 1 4.461 0.008 . 1 . . . . . 299 SER HA . 51683 1 206 . 1 . 1 24 24 SER HB2 H 1 4.132 0.012 . 1 . . . . . 299 SER HB2 . 51683 1 207 . 1 . 1 24 24 SER C C 13 174.408 0.000 . 1 . . . . . 299 SER C . 51683 1 208 . 1 . 1 24 24 SER CA C 13 60.832 0.196 . 1 . . . . . 299 SER CA . 51683 1 209 . 1 . 1 24 24 SER CB C 13 63.025 0.247 . 1 . . . . . 299 SER CB . 51683 1 210 . 1 . 1 24 24 SER N N 15 117.015 0.015 . 1 . . . . . 299 SER N . 51683 1 211 . 1 . 1 25 25 SER H H 1 7.554 0.001 . 1 . . . . . 300 SER H . 51683 1 212 . 1 . 1 25 25 SER HA H 1 4.369 0.007 . 1 . . . . . 300 SER HA . 51683 1 213 . 1 . 1 25 25 SER HB2 H 1 3.326 0.000 . 1 . . . . . 300 SER HB2 . 51683 1 214 . 1 . 1 25 25 SER C C 13 175.719 0.007 . 1 . . . . . 300 SER C . 51683 1 215 . 1 . 1 25 25 SER CA C 13 59.914 0.070 . 1 . . . . . 300 SER CA . 51683 1 216 . 1 . 1 25 25 SER CB C 13 64.687 0.199 . 1 . . . . . 300 SER CB . 51683 1 217 . 1 . 1 25 25 SER N N 15 118.351 0.031 . 1 . . . . . 300 SER N . 51683 1 218 . 1 . 1 26 26 GLY H H 1 7.743 0.003 . 1 . . . . . 301 GLY H . 51683 1 219 . 1 . 1 26 26 GLY HA2 H 1 4.010 0.000 . 2 . . . . . 301 GLY HA2 . 51683 1 220 . 1 . 1 26 26 GLY HA3 H 1 4.188 0.001 . 2 . . . . . 301 GLY HA3 . 51683 1 221 . 1 . 1 26 26 GLY C C 13 175.500 0.001 . 1 . . . . . 301 GLY C . 51683 1 222 . 1 . 1 26 26 GLY CA C 13 47.493 0.144 . 1 . . . . . 301 GLY CA . 51683 1 223 . 1 . 1 26 26 GLY N N 15 110.873 0.017 . 1 . . . . . 301 GLY N . 51683 1 224 . 1 . 1 27 27 GLU HA H 1 4.270 0.000 . 1 . . . . . 302 GLU HA . 51683 1 225 . 1 . 1 27 27 GLU HB2 H 1 2.350 0.021 . 1 . . . . . 302 GLU HB2 . 51683 1 226 . 1 . 1 27 27 GLU HB3 H 1 2.208 0.008 . 1 . . . . . 302 GLU HB3 . 51683 1 227 . 1 . 1 27 27 GLU HG2 H 1 1.985 0.006 . 1 . . . . . 302 GLU HG2 . 51683 1 228 . 1 . 1 27 27 GLU C C 13 178.008 0.000 . 1 . . . . . 302 GLU C . 51683 1 229 . 1 . 1 27 27 GLU CA C 13 57.061 0.000 . 1 . . . . . 302 GLU CA . 51683 1 230 . 1 . 1 27 27 GLU CB C 13 29.418 0.000 . 1 . . . . . 302 GLU CB . 51683 1 231 . 1 . 1 27 27 GLU CG C 13 36.302 0.107 . 1 . . . . . 302 GLU CG . 51683 1 232 . 1 . 1 28 28 ASN H H 1 8.349 0.002 . 1 . . . . . 303 ASN H . 51683 1 233 . 1 . 1 28 28 ASN HA H 1 4.531 0.001 . 1 . . . . . 303 ASN HA . 51683 1 234 . 1 . 1 28 28 ASN HB2 H 1 2.897 0.008 . 2 . . . . . 303 ASN HB2 . 51683 1 235 . 1 . 1 28 28 ASN HB3 H 1 2.834 0.000 . 2 . . . . . 303 ASN HB3 . 51683 1 236 . 1 . 1 28 28 ASN C C 13 176.499 0.000 . 1 . . . . . 303 ASN C . 51683 1 237 . 1 . 1 28 28 ASN CA C 13 56.031 0.094 . 1 . . . . . 303 ASN CA . 51683 1 238 . 1 . 1 28 28 ASN CB C 13 38.880 0.191 . 1 . . . . . 303 ASN CB . 51683 1 239 . 1 . 1 28 28 ASN N N 15 115.727 0.018 . 1 . . . . . 303 ASN N . 51683 1 240 . 1 . 1 29 29 GLY H H 1 6.646 0.004 . 1 . . . . . 304 GLY H . 51683 1 241 . 1 . 1 29 29 GLY HA2 H 1 4.017 0.001 . 2 . . . . . 304 GLY HA2 . 51683 1 242 . 1 . 1 29 29 GLY HA3 H 1 4.452 0.003 . 2 . . . . . 304 GLY HA3 . 51683 1 243 . 1 . 1 29 29 GLY C C 13 172.986 0.004 . 1 . . . . . 304 GLY C . 51683 1 244 . 1 . 1 29 29 GLY CA C 13 46.005 0.100 . 1 . . . . . 304 GLY CA . 51683 1 245 . 1 . 1 29 29 GLY N N 15 103.139 0.023 . 1 . . . . . 304 GLY N . 51683 1 246 . 1 . 1 30 30 ILE H H 1 7.984 0.003 . 1 . . . . . 305 ILE H . 51683 1 247 . 1 . 1 30 30 ILE HA H 1 5.917 0.008 . 1 . . . . . 305 ILE HA . 51683 1 248 . 1 . 1 30 30 ILE HB H 1 1.739 0.006 . 1 . . . . . 305 ILE HB . 51683 1 249 . 1 . 1 30 30 ILE HG21 H 1 0.697 0.020 . 1 . . . . . 305 ILE HG21 . 51683 1 250 . 1 . 1 30 30 ILE HG22 H 1 0.697 0.020 . 1 . . . . . 305 ILE HG22 . 51683 1 251 . 1 . 1 30 30 ILE HG23 H 1 0.697 0.020 . 1 . . . . . 305 ILE HG23 . 51683 1 252 . 1 . 1 30 30 ILE C C 13 175.707 0.005 . 1 . . . . . 305 ILE C . 51683 1 253 . 1 . 1 30 30 ILE CA C 13 58.604 0.071 . 1 . . . . . 305 ILE CA . 51683 1 254 . 1 . 1 30 30 ILE CB C 13 42.921 0.141 . 1 . . . . . 305 ILE CB . 51683 1 255 . 1 . 1 30 30 ILE CG1 C 13 27.300 0.113 . 1 . . . . . 305 ILE CG1 . 51683 1 256 . 1 . 1 30 30 ILE CG2 C 13 19.477 0.083 . 1 . . . . . 305 ILE CG2 . 51683 1 257 . 1 . 1 30 30 ILE CD1 C 13 14.923 0.101 . 1 . . . . . 305 ILE CD1 . 51683 1 258 . 1 . 1 30 30 ILE N N 15 137.0934 0.053 . 1 . . . . . 305 ILE N . 51683 1 259 . 1 . 1 31 31 VAL H H 1 8.804 0.008 . 1 . . . . . 306 VAL H . 51683 1 260 . 1 . 1 31 31 VAL HA H 1 4.683 0.013 . 1 . . . . . 306 VAL HA . 51683 1 261 . 1 . 1 31 31 VAL HB H 1 1.860 0.012 . 1 . . . . . 306 VAL HB . 51683 1 262 . 1 . 1 31 31 VAL HG11 H 1 0.753 0.031 . 2 . . . . . 306 VAL HG11 . 51683 1 263 . 1 . 1 31 31 VAL HG12 H 1 0.753 0.031 . 2 . . . . . 306 VAL HG12 . 51683 1 264 . 1 . 1 31 31 VAL HG13 H 1 0.753 0.031 . 2 . . . . . 306 VAL HG13 . 51683 1 265 . 1 . 1 31 31 VAL HG21 H 1 0.750 0.000 . 2 . . . . . 306 VAL HG21 . 51683 1 266 . 1 . 1 31 31 VAL HG22 H 1 0.750 0.000 . 2 . . . . . 306 VAL HG22 . 51683 1 267 . 1 . 1 31 31 VAL HG23 H 1 0.750 0.000 . 2 . . . . . 306 VAL HG23 . 51683 1 268 . 1 . 1 31 31 VAL C C 13 173.783 0.005 . 1 . . . . . 306 VAL C . 51683 1 269 . 1 . 1 31 31 VAL CA C 13 60.684 0.086 . 1 . . . . . 306 VAL CA . 51683 1 270 . 1 . 1 31 31 VAL CB C 13 35.417 0.131 . 1 . . . . . 306 VAL CB . 51683 1 271 . 1 . 1 31 31 VAL CG1 C 13 22.390 0.379 . 2 . . . . . 306 VAL CG1 . 51683 1 272 . 1 . 1 31 31 VAL CG2 C 13 21.419 0.095 . 2 . . . . . 306 VAL CG2 . 51683 1 273 . 1 . 1 31 31 VAL N N 15 120.248 0.052 . 1 . . . . . 306 VAL N . 51683 1 274 . 1 . 1 32 32 VAL H H 1 7.977 0.004 . 1 . . . . . 307 VAL H . 51683 1 275 . 1 . 1 32 32 VAL HA H 1 4.663 0.005 . 1 . . . . . 307 VAL HA . 51683 1 276 . 1 . 1 32 32 VAL HB H 1 2.105 0.007 . 1 . . . . . 307 VAL HB . 51683 1 277 . 1 . 1 32 32 VAL HG11 H 1 0.981 0.012 . 2 . . . . . 307 VAL HG11 . 51683 1 278 . 1 . 1 32 32 VAL HG12 H 1 0.981 0.012 . 2 . . . . . 307 VAL HG12 . 51683 1 279 . 1 . 1 32 32 VAL HG13 H 1 0.981 0.012 . 2 . . . . . 307 VAL HG13 . 51683 1 280 . 1 . 1 32 32 VAL HG21 H 1 0.986 0.000 . 2 . . . . . 307 VAL HG21 . 51683 1 281 . 1 . 1 32 32 VAL HG22 H 1 0.986 0.000 . 2 . . . . . 307 VAL HG22 . 51683 1 282 . 1 . 1 32 32 VAL HG23 H 1 0.986 0.000 . 2 . . . . . 307 VAL HG23 . 51683 1 283 . 1 . 1 32 32 VAL C C 13 173.482 0.000 . 1 . . . . . 307 VAL C . 51683 1 284 . 1 . 1 32 32 VAL CA C 13 61.470 0.075 . 1 . . . . . 307 VAL CA . 51683 1 285 . 1 . 1 32 32 VAL CB C 13 34.250 0.154 . 1 . . . . . 307 VAL CB . 51683 1 286 . 1 . 1 32 32 VAL CG1 C 13 21.053 0.086 . 2 . . . . . 307 VAL CG1 . 51683 1 287 . 1 . 1 32 32 VAL CG2 C 13 23.529 0.174 . 2 . . . . . 307 VAL CG2 . 51683 1 288 . 1 . 1 32 32 VAL N N 15 125.448 0.073 . 1 . . . . . 307 VAL N . 51683 1 289 . 1 . 1 33 33 PHE H H 1 9.317 0.004 . 1 . . . . . 308 PHE H . 51683 1 290 . 1 . 1 33 33 PHE C C 13 173.468 0.000 . 1 . . . . . 308 PHE C . 51683 1 291 . 1 . 1 33 33 PHE CA C 13 53.508 0.000 . 1 . . . . . 308 PHE CA . 51683 1 292 . 1 . 1 33 33 PHE CB C 13 40.257 0.000 . 1 . . . . . 308 PHE CB . 51683 1 293 . 1 . 1 33 33 PHE N N 15 130.389 0.056 . 1 . . . . . 308 PHE N . 51683 1 294 . 1 . 1 41 41 ASN HA H 1 4.767 0.000 . 1 . . . . . 316 ASN HA . 51683 1 295 . 1 . 1 41 41 ASN HB2 H 1 2.901 0.000 . 1 . . . . . 316 ASN HB2 . 51683 1 296 . 1 . 1 41 41 ASN HB3 H 1 2.811 0.000 . 1 . . . . . 316 ASN HB3 . 51683 1 297 . 1 . 1 41 41 ASN C C 13 174.659 0.000 . 1 . . . . . 316 ASN C . 51683 1 298 . 1 . 1 41 41 ASN CA C 13 53.247 0.000 . 1 . . . . . 316 ASN CA . 51683 1 299 . 1 . 1 41 41 ASN CB C 13 39.002 0.000 . 1 . . . . . 316 ASN CB . 51683 1 300 . 1 . 1 42 42 MET H H 1 8.029 0.005 . 1 . . . . . 317 MET H . 51683 1 301 . 1 . 1 42 42 MET HA H 1 4.325 0.000 . 1 . . . . . 317 MET HA . 51683 1 302 . 1 . 1 42 42 MET C C 13 175.802 0.000 . 1 . . . . . 317 MET C . 51683 1 303 . 1 . 1 42 42 MET CA C 13 55.952 0.000 . 1 . . . . . 317 MET CA . 51683 1 304 . 1 . 1 42 42 MET CB C 13 34.210 0.000 . 1 . . . . . 317 MET CB . 51683 1 305 . 1 . 1 42 42 MET N N 15 120.582 0.030 . 1 . . . . . 317 MET N . 51683 1 306 . 1 . 1 43 43 SER H H 1 8.205 0.010 . 1 . . . . . 318 SER H . 51683 1 307 . 1 . 1 43 43 SER HA H 1 4.522 0.011 . 1 . . . . . 318 SER HA . 51683 1 308 . 1 . 1 43 43 SER HB2 H 1 4.216 0.021 . 1 . . . . . 318 SER HB2 . 51683 1 309 . 1 . 1 43 43 SER C C 13 174.872 0.000 . 1 . . . . . 318 SER C . 51683 1 310 . 1 . 1 43 43 SER CA C 13 58.031 0.147 . 1 . . . . . 318 SER CA . 51683 1 311 . 1 . 1 43 43 SER CB C 13 63.945 0.000 . 1 . . . . . 318 SER CB . 51683 1 312 . 1 . 1 43 43 SER N N 15 118.321 0.032 . 1 . . . . . 318 SER N . 51683 1 313 . 1 . 1 44 44 GLU H H 1 9.103 0.006 . 1 . . . . . 319 GLU H . 51683 1 314 . 1 . 1 44 44 GLU HA H 1 4.124 0.004 . 1 . . . . . 319 GLU HA . 51683 1 315 . 1 . 1 44 44 GLU HB2 H 1 2.136 0.004 . 1 . . . . . 319 GLU HB2 . 51683 1 316 . 1 . 1 44 44 GLU HG2 H 1 2.405 0.015 . 2 . . . . . 319 GLU HG2 . 51683 1 317 . 1 . 1 44 44 GLU HG3 H 1 2.481 0.006 . 2 . . . . . 319 GLU HG3 . 51683 1 318 . 1 . 1 44 44 GLU C C 13 179.130 0.008 . 1 . . . . . 319 GLU C . 51683 1 319 . 1 . 1 44 44 GLU CA C 13 60.029 0.112 . 1 . . . . . 319 GLU CA . 51683 1 320 . 1 . 1 44 44 GLU CB C 13 29.557 0.105 . 1 . . . . . 319 GLU CB . 51683 1 321 . 1 . 1 44 44 GLU CG C 13 37.021 0.124 . 1 . . . . . 319 GLU CG . 51683 1 322 . 1 . 1 44 44 GLU N N 15 122.950 0.051 . 1 . . . . . 319 GLU N . 51683 1 323 . 1 . 1 45 45 GLU H H 1 8.872 0.003 . 1 . . . . . 320 GLU H . 51683 1 324 . 1 . 1 45 45 GLU HA H 1 2.478 0.000 . 1 . . . . . 320 GLU HA . 51683 1 325 . 1 . 1 45 45 GLU HB2 H 1 2.440 0.000 . 1 . . . . . 320 GLU HB2 . 51683 1 326 . 1 . 1 45 45 GLU HB3 H 1 2.440 0.000 . 1 . . . . . 320 GLU HB3 . 51683 1 327 . 1 . 1 45 45 GLU HG2 H 1 2.065 0.000 . 1 . . . . . 320 GLU HG2 . 51683 1 328 . 1 . 1 45 45 GLU HG3 H 1 2.210 0.000 . 1 . . . . . 320 GLU HG3 . 51683 1 329 . 1 . 1 45 45 GLU C C 13 177.619 0.000 . 1 . . . . . 320 GLU C . 51683 1 330 . 1 . 1 45 45 GLU CA C 13 57.228 0.000 . 1 . . . . . 320 GLU CA . 51683 1 331 . 1 . 1 45 45 GLU CB C 13 28.985 0.001 . 1 . . . . . 320 GLU CB . 51683 1 332 . 1 . 1 45 45 GLU CG C 13 36.655 0.000 . 1 . . . . . 320 GLU CG . 51683 1 333 . 1 . 1 45 45 GLU N N 15 118.577 0.011 . 1 . . . . . 320 GLU N . 51683 1 334 . 1 . 1 46 46 SER H H 1 8.280 0.007 . 1 . . . . . 321 SER H . 51683 1 335 . 1 . 1 46 46 SER HA H 1 4.341 0.001 . 1 . . . . . 321 SER HA . 51683 1 336 . 1 . 1 46 46 SER HB2 H 1 4.079 0.007 . 2 . . . . . 321 SER HB2 . 51683 1 337 . 1 . 1 46 46 SER HB3 H 1 3.941 0.000 . 2 . . . . . 321 SER HB3 . 51683 1 338 . 1 . 1 46 46 SER C C 13 175.752 0.000 . 1 . . . . . 321 SER C . 51683 1 339 . 1 . 1 46 46 SER CA C 13 62.773 0.146 . 1 . . . . . 321 SER CA . 51683 1 340 . 1 . 1 46 46 SER CB C 13 63.072 0.000 . 1 . . . . . 321 SER CB . 51683 1 341 . 1 . 1 46 46 SER N N 15 118.235 0.069 . 1 . . . . . 321 SER N . 51683 1 342 . 1 . 1 47 47 ALA H H 1 8.468 0.004 . 1 . . . . . 322 ALA H . 51683 1 343 . 1 . 1 47 47 ALA HA H 1 4.256 0.001 . 1 . . . . . 322 ALA HA . 51683 1 344 . 1 . 1 47 47 ALA HB1 H 1 1.620 0.010 . 1 . . . . . 322 ALA HB1 . 51683 1 345 . 1 . 1 47 47 ALA HB2 H 1 1.620 0.010 . 1 . . . . . 322 ALA HB2 . 51683 1 346 . 1 . 1 47 47 ALA HB3 H 1 1.620 0.010 . 1 . . . . . 322 ALA HB3 . 51683 1 347 . 1 . 1 47 47 ALA C C 13 179.699 0.006 . 1 . . . . . 322 ALA C . 51683 1 348 . 1 . 1 47 47 ALA CA C 13 56.474 0.201 . 1 . . . . . 322 ALA CA . 51683 1 349 . 1 . 1 47 47 ALA CB C 13 18.392 0.196 . 1 . . . . . 322 ALA CB . 51683 1 350 . 1 . 1 47 47 ALA N N 15 124.339 0.031 . 1 . . . . . 322 ALA N . 51683 1 351 . 1 . 1 48 48 ASN H H 1 8.442 0.002 . 1 . . . . . 323 ASN H . 51683 1 352 . 1 . 1 48 48 ASN HA H 1 4.662 0.011 . 1 . . . . . 323 ASN HA . 51683 1 353 . 1 . 1 48 48 ASN HB2 H 1 2.990 0.009 . 2 . . . . . 323 ASN HB2 . 51683 1 354 . 1 . 1 48 48 ASN HB3 H 1 2.880 0.013 . 2 . . . . . 323 ASN HB3 . 51683 1 355 . 1 . 1 48 48 ASN C C 13 178.968 0.009 . 1 . . . . . 323 ASN C . 51683 1 356 . 1 . 1 48 48 ASN CA C 13 55.567 0.092 . 1 . . . . . 323 ASN CA . 51683 1 357 . 1 . 1 48 48 ASN CB C 13 38.148 0.171 . 1 . . . . . 323 ASN CB . 51683 1 358 . 1 . 1 48 48 ASN N N 15 116.061 0.010 . 1 . . . . . 323 ASN N . 51683 1 359 . 1 . 1 49 49 MET H H 1 8.116 0.003 . 1 . . . . . 324 MET H . 51683 1 360 . 1 . 1 49 49 MET HA H 1 4.345 0.000 . 1 . . . . . 324 MET HA . 51683 1 361 . 1 . 1 49 49 MET HB2 H 1 2.033 0.021 . 1 . . . . . 324 MET HB2 . 51683 1 362 . 1 . 1 49 49 MET HG2 H 1 2.447 0.016 . 2 . . . . . 324 MET HG2 . 51683 1 363 . 1 . 1 49 49 MET HG3 H 1 2.366 0.000 . 2 . . . . . 324 MET HG3 . 51683 1 364 . 1 . 1 49 49 MET C C 13 179.077 0.019 . 1 . . . . . 324 MET C . 51683 1 365 . 1 . 1 49 49 MET CA C 13 59.552 0.071 . 1 . . . . . 324 MET CA . 51683 1 366 . 1 . 1 49 49 MET CB C 13 32.687 0.214 . 1 . . . . . 324 MET CB . 51683 1 367 . 1 . 1 49 49 MET CG C 13 31.344 0.087 . 1 . . . . . 324 MET CG . 51683 1 368 . 1 . 1 49 49 MET N N 15 123.410 0.018 . 1 . . . . . 324 MET N . 51683 1 369 . 1 . 1 50 50 ILE H H 1 8.460 0.004 . 1 . . . . . 325 ILE H . 51683 1 370 . 1 . 1 50 50 ILE HA H 1 4.299 0.001 . 1 . . . . . 325 ILE HA . 51683 1 371 . 1 . 1 50 50 ILE HB H 1 1.891 0.008 . 1 . . . . . 325 ILE HB . 51683 1 372 . 1 . 1 50 50 ILE HG12 H 1 0.826 0.008 . 1 . . . . . 325 ILE HG12 . 51683 1 373 . 1 . 1 50 50 ILE HG21 H 1 0.234 0.003 . 1 . . . . . 325 ILE HG21 . 51683 1 374 . 1 . 1 50 50 ILE HG22 H 1 0.234 0.003 . 1 . . . . . 325 ILE HG22 . 51683 1 375 . 1 . 1 50 50 ILE HG23 H 1 0.234 0.003 . 1 . . . . . 325 ILE HG23 . 51683 1 376 . 1 . 1 50 50 ILE C C 13 177.664 0.006 . 1 . . . . . 325 ILE C . 51683 1 377 . 1 . 1 50 50 ILE CA C 13 65.693 0.170 . 1 . . . . . 325 ILE CA . 51683 1 378 . 1 . 1 50 50 ILE CB C 13 38.065 0.215 . 1 . . . . . 325 ILE CB . 51683 1 379 . 1 . 1 50 50 ILE CG1 C 13 30.311 0.258 . 1 . . . . . 325 ILE CG1 . 51683 1 380 . 1 . 1 50 50 ILE CG2 C 13 18.216 0.107 . 1 . . . . . 325 ILE CG2 . 51683 1 381 . 1 . 1 50 50 ILE CD1 C 13 13.485 0.139 . 1 . . . . . 325 ILE CD1 . 51683 1 382 . 1 . 1 50 50 ILE N N 15 121.420 0.042 . 1 . . . . . 325 ILE N . 51683 1 383 . 1 . 1 51 51 ALA H H 1 8.793 0.004 . 1 . . . . . 326 ALA H . 51683 1 384 . 1 . 1 51 51 ALA HA H 1 3.963 0.009 . 1 . . . . . 326 ALA HA . 51683 1 385 . 1 . 1 51 51 ALA HB1 H 1 1.661 0.005 . 1 . . . . . 326 ALA HB1 . 51683 1 386 . 1 . 1 51 51 ALA HB2 H 1 1.661 0.005 . 1 . . . . . 326 ALA HB2 . 51683 1 387 . 1 . 1 51 51 ALA HB3 H 1 1.661 0.005 . 1 . . . . . 326 ALA HB3 . 51683 1 388 . 1 . 1 51 51 ALA C C 13 180.150 0.003 . 1 . . . . . 326 ALA C . 51683 1 389 . 1 . 1 51 51 ALA CA C 13 55.691 0.210 . 1 . . . . . 326 ALA CA . 51683 1 390 . 1 . 1 51 51 ALA CB C 13 17.588 0.000 . 1 . . . . . 326 ALA CB . 51683 1 391 . 1 . 1 51 51 ALA N N 15 121.571 0.043 . 1 . . . . . 326 ALA N . 51683 1 392 . 1 . 1 52 52 SER H H 1 8.033 0.002 . 1 . . . . . 327 SER H . 51683 1 393 . 1 . 1 52 52 SER HA H 1 4.215 0.004 . 1 . . . . . 327 SER HA . 51683 1 394 . 1 . 1 52 52 SER HB2 H 1 4.074 0.003 . 1 . . . . . 327 SER HB2 . 51683 1 395 . 1 . 1 52 52 SER C C 13 176.687 0.000 . 1 . . . . . 327 SER C . 51683 1 396 . 1 . 1 52 52 SER CA C 13 62.302 0.135 . 1 . . . . . 327 SER CA . 51683 1 397 . 1 . 1 52 52 SER CB C 13 63.031 0.151 . 1 . . . . . 327 SER CB . 51683 1 398 . 1 . 1 52 52 SER N N 15 112.719 0.015 . 1 . . . . . 327 SER N . 51683 1 399 . 1 . 1 53 53 ALA H H 1 7.341 0.003 . 1 . . . . . 328 ALA H . 51683 1 400 . 1 . 1 53 53 ALA HA H 1 4.106 0.006 . 1 . . . . . 328 ALA HA . 51683 1 401 . 1 . 1 53 53 ALA HB1 H 1 1.509 0.006 . 1 . . . . . 328 ALA HB1 . 51683 1 402 . 1 . 1 53 53 ALA HB2 H 1 1.509 0.006 . 1 . . . . . 328 ALA HB2 . 51683 1 403 . 1 . 1 53 53 ALA HB3 H 1 1.509 0.006 . 1 . . . . . 328 ALA HB3 . 51683 1 404 . 1 . 1 53 53 ALA C C 13 178.793 0.009 . 1 . . . . . 328 ALA C . 51683 1 405 . 1 . 1 53 53 ALA CA C 13 55.100 0.395 . 1 . . . . . 328 ALA CA . 51683 1 406 . 1 . 1 53 53 ALA CB C 13 18.992 0.174 . 1 . . . . . 328 ALA CB . 51683 1 407 . 1 . 1 53 53 ALA N N 15 123.366 0.012 . 1 . . . . . 328 ALA N . 51683 1 408 . 1 . 1 54 54 LEU H H 1 7.903 0.003 . 1 . . . . . 329 LEU H . 51683 1 409 . 1 . 1 54 54 LEU HA H 1 3.643 0.004 . 1 . . . . . 329 LEU HA . 51683 1 410 . 1 . 1 54 54 LEU HB2 H 1 1.716 0.013 . 2 . . . . . 329 LEU HB2 . 51683 1 411 . 1 . 1 54 54 LEU HB3 H 1 1.470 0.000 . 2 . . . . . 329 LEU HB3 . 51683 1 412 . 1 . 1 54 54 LEU HG H 1 0.844 0.000 . 1 . . . . . 329 LEU HG . 51683 1 413 . 1 . 1 54 54 LEU HD11 H 1 0.161 0.001 . 2 . . . . . 329 LEU HD11 . 51683 1 414 . 1 . 1 54 54 LEU HD12 H 1 0.161 0.001 . 2 . . . . . 329 LEU HD12 . 51683 1 415 . 1 . 1 54 54 LEU HD13 H 1 0.161 0.001 . 2 . . . . . 329 LEU HD13 . 51683 1 416 . 1 . 1 54 54 LEU HD21 H 1 0.439 0.012 . 2 . . . . . 329 LEU HD21 . 51683 1 417 . 1 . 1 54 54 LEU HD22 H 1 0.439 0.012 . 2 . . . . . 329 LEU HD22 . 51683 1 418 . 1 . 1 54 54 LEU HD23 H 1 0.439 0.012 . 2 . . . . . 329 LEU HD23 . 51683 1 419 . 1 . 1 54 54 LEU C C 13 177.393 0.008 . 1 . . . . . 329 LEU C . 51683 1 420 . 1 . 1 54 54 LEU CA C 13 57.087 0.102 . 1 . . . . . 329 LEU CA . 51683 1 421 . 1 . 1 54 54 LEU CB C 13 41.811 0.211 . 1 . . . . . 329 LEU CB . 51683 1 422 . 1 . 1 54 54 LEU CG C 13 26.162 0.122 . 1 . . . . . 329 LEU CG . 51683 1 423 . 1 . 1 54 54 LEU CD1 C 13 21.188 0.178 . 2 . . . . . 329 LEU CD1 . 51683 1 424 . 1 . 1 54 54 LEU CD2 C 13 21.047 0.023 . 2 . . . . . 329 LEU CD2 . 51683 1 425 . 1 . 1 54 54 LEU N N 15 113.887 0.019 . 1 . . . . . 329 LEU N . 51683 1 426 . 1 . 1 55 55 ALA H H 1 7.679 0.006 . 1 . . . . . 330 ALA H . 51683 1 427 . 1 . 1 55 55 ALA HA H 1 4.798 0.009 . 1 . . . . . 330 ALA HA . 51683 1 428 . 1 . 1 55 55 ALA HB1 H 1 1.630 0.008 . 1 . . . . . 330 ALA HB1 . 51683 1 429 . 1 . 1 55 55 ALA HB2 H 1 1.630 0.008 . 1 . . . . . 330 ALA HB2 . 51683 1 430 . 1 . 1 55 55 ALA HB3 H 1 1.630 0.008 . 1 . . . . . 330 ALA HB3 . 51683 1 431 . 1 . 1 55 55 ALA C C 13 178.727 0.009 . 1 . . . . . 330 ALA C . 51683 1 432 . 1 . 1 55 55 ALA CA C 13 53.101 0.093 . 1 . . . . . 330 ALA CA . 51683 1 433 . 1 . 1 55 55 ALA CB C 13 18.989 0.147 . 1 . . . . . 330 ALA CB . 51683 1 434 . 1 . 1 55 55 ALA N N 15 115.898 0.038 . 1 . . . . . 330 ALA N . 51683 1 435 . 1 . 1 56 56 GLN H H 1 7.404 0.002 . 1 . . . . . 331 GLN H . 51683 1 436 . 1 . 1 56 56 GLN HA H 1 4.364 0.009 . 1 . . . . . 331 GLN HA . 51683 1 437 . 1 . 1 56 56 GLN HB2 H 1 2.110 0.008 . 2 . . . . . 331 GLN HB2 . 51683 1 438 . 1 . 1 56 56 GLN HB3 H 1 2.377 0.009 . 2 . . . . . 331 GLN HB3 . 51683 1 439 . 1 . 1 56 56 GLN HG2 H 1 2.496 0.004 . 2 . . . . . 331 GLN HG2 . 51683 1 440 . 1 . 1 56 56 GLN HG3 H 1 2.615 0.009 . 2 . . . . . 331 GLN HG3 . 51683 1 441 . 1 . 1 56 56 GLN C C 13 175.800 0.007 . 1 . . . . . 331 GLN C . 51683 1 442 . 1 . 1 56 56 GLN CA C 13 56.245 0.166 . 1 . . . . . 331 GLN CA . 51683 1 443 . 1 . 1 56 56 GLN CB C 13 30.563 0.118 . 1 . . . . . 331 GLN CB . 51683 1 444 . 1 . 1 56 56 GLN CG C 13 34.697 0.103 . 1 . . . . . 331 GLN CG . 51683 1 445 . 1 . 1 56 56 GLN N N 15 113.393 0.020 . 1 . . . . . 331 GLN N . 51683 1 446 . 1 . 1 57 57 ILE H H 1 6.998 0.003 . 1 . . . . . 332 ILE H . 51683 1 447 . 1 . 1 57 57 ILE C C 13 174.401 0.000 . 1 . . . . . 332 ILE C . 51683 1 448 . 1 . 1 57 57 ILE CA C 13 58.879 0.000 . 1 . . . . . 332 ILE CA . 51683 1 449 . 1 . 1 57 57 ILE CB C 13 36.933 0.000 . 1 . . . . . 332 ILE CB . 51683 1 450 . 1 . 1 57 57 ILE N N 15 112.739 0.024 . 1 . . . . . 332 ILE N . 51683 1 451 . 1 . 1 58 58 PRO HA H 1 4.398 0.007 . 1 . . . . . 333 PRO HA . 51683 1 452 . 1 . 1 58 58 PRO HB2 H 1 2.187 0.006 . 1 . . . . . 333 PRO HB2 . 51683 1 453 . 1 . 1 58 58 PRO HG2 H 1 1.837 0.013 . 1 . . . . . 333 PRO HG2 . 51683 1 454 . 1 . 1 58 58 PRO C C 13 177.409 0.000 . 1 . . . . . 333 PRO C . 51683 1 455 . 1 . 1 58 58 PRO CA C 13 63.480 0.106 . 1 . . . . . 333 PRO CA . 51683 1 456 . 1 . 1 58 58 PRO CB C 13 31.714 0.182 . 1 . . . . . 333 PRO CB . 51683 1 457 . 1 . 1 58 58 PRO CG C 13 27.219 0.163 . 1 . . . . . 333 PRO CG . 51683 1 458 . 1 . 1 58 58 PRO CD C 13 50.651 0.173 . 1 . . . . . 333 PRO CD . 51683 1 459 . 1 . 1 59 59 GLN H H 1 6.688 0.006 . 1 . . . . . 334 GLN H . 51683 1 460 . 1 . 1 59 59 GLN HA H 1 3.991 0.014 . 1 . . . . . 334 GLN HA . 51683 1 461 . 1 . 1 59 59 GLN HB2 H 1 1.827 0.024 . 1 . . . . . 334 GLN HB2 . 51683 1 462 . 1 . 1 59 59 GLN HG2 H 1 2.525 0.002 . 1 . . . . . 334 GLN HG2 . 51683 1 463 . 1 . 1 59 59 GLN C C 13 175.103 0.000 . 1 . . . . . 334 GLN C . 51683 1 464 . 1 . 1 59 59 GLN CA C 13 58.230 0.212 . 1 . . . . . 334 GLN CA . 51683 1 465 . 1 . 1 59 59 GLN CB C 13 29.178 0.262 . 1 . . . . . 334 GLN CB . 51683 1 466 . 1 . 1 59 59 GLN CG C 13 34.875 0.168 . 1 . . . . . 334 GLN CG . 51683 1 467 . 1 . 1 59 59 GLN N N 15 117.992 0.022 . 1 . . . . . 334 GLN N . 51683 1 468 . 1 . 1 60 60 LYS H H 1 7.301 0.004 . 1 . . . . . 335 LYS H . 51683 1 469 . 1 . 1 60 60 LYS HA H 1 5.095 0.009 . 1 . . . . . 335 LYS HA . 51683 1 470 . 1 . 1 60 60 LYS HB2 H 1 1.649 0.000 . 1 . . . . . 335 LYS HB2 . 51683 1 471 . 1 . 1 60 60 LYS HG2 H 1 1.255 0.000 . 2 . . . . . 335 LYS HG2 . 51683 1 472 . 1 . 1 60 60 LYS HG3 H 1 1.388 0.007 . 2 . . . . . 335 LYS HG3 . 51683 1 473 . 1 . 1 60 60 LYS HD2 H 1 1.616 0.005 . 1 . . . . . 335 LYS HD2 . 51683 1 474 . 1 . 1 60 60 LYS HE2 H 1 2.794 0.007 . 1 . . . . . 335 LYS HE2 . 51683 1 475 . 1 . 1 60 60 LYS C C 13 176.503 0.004 . 1 . . . . . 335 LYS C . 51683 1 476 . 1 . 1 60 60 LYS CA C 13 54.194 0.106 . 1 . . . . . 335 LYS CA . 51683 1 477 . 1 . 1 60 60 LYS CB C 13 32.434 0.187 . 1 . . . . . 335 LYS CB . 51683 1 478 . 1 . 1 60 60 LYS CG C 13 25.722 0.058 . 1 . . . . . 335 LYS CG . 51683 1 479 . 1 . 1 60 60 LYS CD C 13 27.712 0.168 . 1 . . . . . 335 LYS CD . 51683 1 480 . 1 . 1 60 60 LYS CE C 13 42.613 0.079 . 1 . . . . . 335 LYS CE . 51683 1 481 . 1 . 1 60 60 LYS N N 15 113.656 0.092 . 1 . . . . . 335 LYS N . 51683 1 482 . 1 . 1 61 61 VAL H H 1 9.067 0.009 . 1 . . . . . 336 VAL H . 51683 1 483 . 1 . 1 61 61 VAL HA H 1 4.959 0.002 . 1 . . . . . 336 VAL HA . 51683 1 484 . 1 . 1 61 61 VAL HB H 1 2.293 0.014 . 1 . . . . . 336 VAL HB . 51683 1 485 . 1 . 1 61 61 VAL HG11 H 1 0.774 0.009 . 2 . . . . . 336 VAL HG11 . 51683 1 486 . 1 . 1 61 61 VAL HG12 H 1 0.774 0.009 . 2 . . . . . 336 VAL HG12 . 51683 1 487 . 1 . 1 61 61 VAL HG13 H 1 0.774 0.009 . 2 . . . . . 336 VAL HG13 . 51683 1 488 . 1 . 1 61 61 VAL HG21 H 1 0.937 0.005 . 2 . . . . . 336 VAL HG21 . 51683 1 489 . 1 . 1 61 61 VAL HG22 H 1 0.937 0.005 . 2 . . . . . 336 VAL HG22 . 51683 1 490 . 1 . 1 61 61 VAL HG23 H 1 0.937 0.005 . 2 . . . . . 336 VAL HG23 . 51683 1 491 . 1 . 1 61 61 VAL C C 13 174.577 0.003 . 1 . . . . . 336 VAL C . 51683 1 492 . 1 . 1 61 61 VAL CA C 13 61.376 0.072 . 1 . . . . . 336 VAL CA . 51683 1 493 . 1 . 1 61 61 VAL CB C 13 34.259 0.197 . 1 . . . . . 336 VAL CB . 51683 1 494 . 1 . 1 61 61 VAL CG1 C 13 21.408 0.193 . 2 . . . . . 336 VAL CG1 . 51683 1 495 . 1 . 1 61 61 VAL CG2 C 13 20.970 0.000 . 2 . . . . . 336 VAL CG2 . 51683 1 496 . 1 . 1 61 61 VAL N N 15 120.721 0.060 . 1 . . . . . 336 VAL N . 51683 1 497 . 1 . 1 62 62 LEU H H 1 8.534 0.005 . 1 . . . . . 337 LEU H . 51683 1 498 . 1 . 1 62 62 LEU HA H 1 5.384 0.008 . 1 . . . . . 337 LEU HA . 51683 1 499 . 1 . 1 62 62 LEU HB2 H 1 1.696 0.017 . 1 . . . . . 337 LEU HB2 . 51683 1 500 . 1 . 1 62 62 LEU HG H 1 1.519 0.000 . 1 . . . . . 337 LEU HG . 51683 1 501 . 1 . 1 62 62 LEU HD11 H 1 0.925 0.000 . 1 . . . . . 337 LEU HD11 . 51683 1 502 . 1 . 1 62 62 LEU HD12 H 1 0.925 0.000 . 1 . . . . . 337 LEU HD12 . 51683 1 503 . 1 . 1 62 62 LEU HD13 H 1 0.925 0.000 . 1 . . . . . 337 LEU HD13 . 51683 1 504 . 1 . 1 62 62 LEU C C 13 173.377 0.003 . 1 . . . . . 337 LEU C . 51683 1 505 . 1 . 1 62 62 LEU CA C 13 56.984 0.226 . 1 . . . . . 337 LEU CA . 51683 1 506 . 1 . 1 62 62 LEU CB C 13 42.618 0.133 . 1 . . . . . 337 LEU CB . 51683 1 507 . 1 . 1 62 62 LEU CG C 13 27.529 0.201 . 1 . . . . . 337 LEU CG . 51683 1 508 . 1 . 1 62 62 LEU CD1 C 13 24.762 0.168 . 1 . . . . . 337 LEU CD1 . 51683 1 509 . 1 . 1 62 62 LEU N N 15 127.907 0.048 . 1 . . . . . 337 LEU N . 51683 1 510 . 1 . 1 63 63 TRP H H 1 9.139 0.007 . 1 . . . . . 338 TRP H . 51683 1 511 . 1 . 1 63 63 TRP HA H 1 5.928 0.000 . 1 . . . . . 338 TRP HA . 51683 1 512 . 1 . 1 63 63 TRP HB2 H 1 3.502 0.000 . 1 . . . . . 338 TRP HB2 . 51683 1 513 . 1 . 1 63 63 TRP C C 13 174.619 0.011 . 1 . . . . . 338 TRP C . 51683 1 514 . 1 . 1 63 63 TRP CA C 13 53.135 0.183 . 1 . . . . . 338 TRP CA . 51683 1 515 . 1 . 1 63 63 TRP CB C 13 32.682 0.171 . 1 . . . . . 338 TRP CB . 51683 1 516 . 1 . 1 63 63 TRP N N 15 126.859 0.075 . 1 . . . . . 338 TRP N . 51683 1 517 . 1 . 1 64 64 ARG H H 1 9.022 0.004 . 1 . . . . . 339 ARG H . 51683 1 518 . 1 . 1 64 64 ARG HG2 H 1 1.298 0.000 . 1 . . . . . 339 ARG HG2 . 51683 1 519 . 1 . 1 64 64 ARG C C 13 174.699 0.000 . 1 . . . . . 339 ARG C . 51683 1 520 . 1 . 1 64 64 ARG CA C 13 55.581 0.000 . 1 . . . . . 339 ARG CA . 51683 1 521 . 1 . 1 64 64 ARG CB C 13 32.552 0.000 . 1 . . . . . 339 ARG CB . 51683 1 522 . 1 . 1 64 64 ARG N N 15 128.406 0.031 . 1 . . . . . 339 ARG N . 51683 1 523 . 1 . 1 65 65 PHE H H 1 8.592 0.006 . 1 . . . . . 340 PHE H . 51683 1 524 . 1 . 1 65 65 PHE CA C 13 58.580 0.000 . 1 . . . . . 340 PHE CA . 51683 1 525 . 1 . 1 65 65 PHE N N 15 131.811 0.055 . 1 . . . . . 340 PHE N . 51683 1 526 . 1 . 1 66 66 ASP HA H 1 4.578 0.005 . 1 . . . . . 341 ASP HA . 51683 1 527 . 1 . 1 66 66 ASP HB2 H 1 2.473 0.002 . 1 . . . . . 341 ASP HB2 . 51683 1 528 . 1 . 1 66 66 ASP HB3 H 1 2.473 0.002 . 1 . . . . . 341 ASP HB3 . 51683 1 529 . 1 . 1 66 66 ASP C C 13 174.466 0.000 . 1 . . . . . 341 ASP C . 51683 1 530 . 1 . 1 66 66 ASP CA C 13 53.014 0.101 . 1 . . . . . 341 ASP CA . 51683 1 531 . 1 . 1 66 66 ASP CB C 13 42.667 0.092 . 1 . . . . . 341 ASP CB . 51683 1 532 . 1 . 1 67 67 GLY H H 1 6.157 0.005 . 1 . . . . . 342 GLY H . 51683 1 533 . 1 . 1 67 67 GLY HA2 H 1 3.886 0.020 . 2 . . . . . 342 GLY HA2 . 51683 1 534 . 1 . 1 67 67 GLY HA3 H 1 3.459 0.007 . 2 . . . . . 342 GLY HA3 . 51683 1 535 . 1 . 1 67 67 GLY C C 13 172.323 0.045 . 1 . . . . . 342 GLY C . 51683 1 536 . 1 . 1 67 67 GLY CA C 13 44.182 0.105 . 1 . . . . . 342 GLY CA . 51683 1 537 . 1 . 1 67 67 GLY N N 15 107.117 0.076 . 1 . . . . . 342 GLY N . 51683 1 538 . 1 . 1 68 68 LYS H H 1 8.313 0.004 . 1 . . . . . 343 LYS H . 51683 1 539 . 1 . 1 68 68 LYS HA H 1 4.091 0.012 . 1 . . . . . 343 LYS HA . 51683 1 540 . 1 . 1 68 68 LYS HB2 H 1 1.740 0.003 . 1 . . . . . 343 LYS HB2 . 51683 1 541 . 1 . 1 68 68 LYS HG2 H 1 1.435 0.007 . 1 . . . . . 343 LYS HG2 . 51683 1 542 . 1 . 1 68 68 LYS HD2 H 1 1.694 0.012 . 1 . . . . . 343 LYS HD2 . 51683 1 543 . 1 . 1 68 68 LYS HE2 H 1 3.037 0.007 . 1 . . . . . 343 LYS HE2 . 51683 1 544 . 1 . 1 68 68 LYS C C 13 176.514 0.000 . 1 . . . . . 343 LYS C . 51683 1 545 . 1 . 1 68 68 LYS CA C 13 56.315 0.116 . 1 . . . . . 343 LYS CA . 51683 1 546 . 1 . 1 68 68 LYS CB C 13 32.613 0.182 . 1 . . . . . 343 LYS CB . 51683 1 547 . 1 . 1 68 68 LYS CG C 13 24.671 0.097 . 1 . . . . . 343 LYS CG . 51683 1 548 . 1 . 1 68 68 LYS CD C 13 29.467 0.119 . 1 . . . . . 343 LYS CD . 51683 1 549 . 1 . 1 68 68 LYS CE C 13 42.979 0.777 . 1 . . . . . 343 LYS CE . 51683 1 550 . 1 . 1 68 68 LYS N N 15 121.580 0.018 . 1 . . . . . 343 LYS N . 51683 1 551 . 1 . 1 69 69 LYS H H 1 8.445 0.003 . 1 . . . . . 344 LYS H . 51683 1 552 . 1 . 1 69 69 LYS C C 13 174.961 0.000 . 1 . . . . . 344 LYS C . 51683 1 553 . 1 . 1 69 69 LYS CA C 13 55.430 0.000 . 1 . . . . . 344 LYS CA . 51683 1 554 . 1 . 1 69 69 LYS CB C 13 32.267 0.000 . 1 . . . . . 344 LYS CB . 51683 1 555 . 1 . 1 69 69 LYS N N 15 126.360 0.014 . 1 . . . . . 344 LYS N . 51683 1 556 . 1 . 1 70 70 PRO HA H 1 4.339 0.001 . 1 . . . . . 345 PRO HA . 51683 1 557 . 1 . 1 70 70 PRO C C 13 177.641 0.000 . 1 . . . . . 345 PRO C . 51683 1 558 . 1 . 1 70 70 PRO CA C 13 63.134 0.069 . 1 . . . . . 345 PRO CA . 51683 1 559 . 1 . 1 70 70 PRO CB C 13 32.214 0.000 . 1 . . . . . 345 PRO CB . 51683 1 560 . 1 . 1 70 70 PRO CG C 13 27.888 0.130 . 1 . . . . . 345 PRO CG . 51683 1 561 . 1 . 1 70 70 PRO CD C 13 51.295 0.000 . 1 . . . . . 345 PRO CD . 51683 1 562 . 1 . 1 71 71 ASN H H 1 8.867 0.003 . 1 . . . . . 346 ASN H . 51683 1 563 . 1 . 1 71 71 ASN HA H 1 4.547 0.007 . 1 . . . . . 346 ASN HA . 51683 1 564 . 1 . 1 71 71 ASN HB2 H 1 2.897 0.008 . 1 . . . . . 346 ASN HB2 . 51683 1 565 . 1 . 1 71 71 ASN C C 13 176.486 0.001 . 1 . . . . . 346 ASN C . 51683 1 566 . 1 . 1 71 71 ASN CA C 13 55.488 0.000 . 1 . . . . . 346 ASN CA . 51683 1 567 . 1 . 1 71 71 ASN CB C 13 38.560 0.000 . 1 . . . . . 346 ASN CB . 51683 1 568 . 1 . 1 71 71 ASN N N 15 122.993 0.110 . 1 . . . . . 346 ASN N . 51683 1 569 . 1 . 1 72 72 THR H H 1 7.283 0.004 . 1 . . . . . 347 THR H . 51683 1 570 . 1 . 1 72 72 THR HA H 1 4.511 0.006 . 1 . . . . . 347 THR HA . 51683 1 571 . 1 . 1 72 72 THR HB H 1 4.254 0.007 . 1 . . . . . 347 THR HB . 51683 1 572 . 1 . 1 72 72 THR HG21 H 1 1.124 0.002 . 1 . . . . . 347 THR HG21 . 51683 1 573 . 1 . 1 72 72 THR HG22 H 1 1.124 0.002 . 1 . . . . . 347 THR HG22 . 51683 1 574 . 1 . 1 72 72 THR HG23 H 1 1.124 0.002 . 1 . . . . . 347 THR HG23 . 51683 1 575 . 1 . 1 72 72 THR C C 13 173.952 0.001 . 1 . . . . . 347 THR C . 51683 1 576 . 1 . 1 72 72 THR CA C 13 60.073 0.043 . 1 . . . . . 347 THR CA . 51683 1 577 . 1 . 1 72 72 THR CB C 13 68.265 0.162 . 1 . . . . . 347 THR CB . 51683 1 578 . 1 . 1 72 72 THR CG2 C 13 22.582 0.148 . 1 . . . . . 347 THR CG2 . 51683 1 579 . 1 . 1 72 72 THR N N 15 105.248 0.020 . 1 . . . . . 347 THR N . 51683 1 580 . 1 . 1 73 73 LEU H H 1 6.703 0.004 . 1 . . . . . 348 LEU H . 51683 1 581 . 1 . 1 73 73 LEU HA H 1 4.077 0.007 . 1 . . . . . 348 LEU HA . 51683 1 582 . 1 . 1 73 73 LEU HB2 H 1 1.802 0.002 . 1 . . . . . 348 LEU HB2 . 51683 1 583 . 1 . 1 73 73 LEU HG H 1 1.412 0.012 . 1 . . . . . 348 LEU HG . 51683 1 584 . 1 . 1 73 73 LEU HD11 H 1 0.897 0.012 . 2 . . . . . 348 LEU HD11 . 51683 1 585 . 1 . 1 73 73 LEU HD12 H 1 0.897 0.012 . 2 . . . . . 348 LEU HD12 . 51683 1 586 . 1 . 1 73 73 LEU HD13 H 1 0.897 0.012 . 2 . . . . . 348 LEU HD13 . 51683 1 587 . 1 . 1 73 73 LEU HD21 H 1 1.026 0.009 . 2 . . . . . 348 LEU HD21 . 51683 1 588 . 1 . 1 73 73 LEU HD22 H 1 1.026 0.009 . 2 . . . . . 348 LEU HD22 . 51683 1 589 . 1 . 1 73 73 LEU HD23 H 1 1.026 0.009 . 2 . . . . . 348 LEU HD23 . 51683 1 590 . 1 . 1 73 73 LEU C C 13 177.872 0.012 . 1 . . . . . 348 LEU C . 51683 1 591 . 1 . 1 73 73 LEU CA C 13 56.454 0.099 . 1 . . . . . 348 LEU CA . 51683 1 592 . 1 . 1 73 73 LEU CB C 13 43.633 0.155 . 1 . . . . . 348 LEU CB . 51683 1 593 . 1 . 1 73 73 LEU CG C 13 26.376 0.162 . 1 . . . . . 348 LEU CG . 51683 1 594 . 1 . 1 73 73 LEU CD1 C 13 22.785 0.000 . 2 . . . . . 348 LEU CD1 . 51683 1 595 . 1 . 1 73 73 LEU CD2 C 13 25.366 0.000 . 2 . . . . . 348 LEU CD2 . 51683 1 596 . 1 . 1 73 73 LEU N N 15 120.080 0.030 . 1 . . . . . 348 LEU N . 51683 1 597 . 1 . 1 74 74 GLY H H 1 10.019 0.005 . 1 . . . . . 349 GLY H . 51683 1 598 . 1 . 1 74 74 GLY C C 13 175.792 0.505 . 1 . . . . . 349 GLY C . 51683 1 599 . 1 . 1 74 74 GLY CA C 13 44.589 0.000 . 1 . . . . . 349 GLY CA . 51683 1 600 . 1 . 1 74 74 GLY N N 15 117.049 0.042 . 1 . . . . . 349 GLY N . 51683 1 601 . 1 . 1 75 75 SER HA H 1 4.432 0.009 . 1 . . . . . 350 SER HA . 51683 1 602 . 1 . 1 75 75 SER HB2 H 1 4.088 0.015 . 1 . . . . . 350 SER HB2 . 51683 1 603 . 1 . 1 75 75 SER C C 13 174.663 0.000 . 1 . . . . . 350 SER C . 51683 1 604 . 1 . 1 75 75 SER CA C 13 60.315 0.121 . 1 . . . . . 350 SER CA . 51683 1 605 . 1 . 1 75 75 SER CB C 13 63.252 0.116 . 1 . . . . . 350 SER CB . 51683 1 606 . 1 . 1 76 76 ASN H H 1 8.662 0.002 . 1 . . . . . 351 ASN H . 51683 1 607 . 1 . 1 76 76 ASN HA H 1 4.554 0.004 . 1 . . . . . 351 ASN HA . 51683 1 608 . 1 . 1 76 76 ASN HB2 H 1 2.912 0.024 . 1 . . . . . 351 ASN HB2 . 51683 1 609 . 1 . 1 76 76 ASN C C 13 173.836 0.000 . 1 . . . . . 351 ASN C . 51683 1 610 . 1 . 1 76 76 ASN CA C 13 53.967 0.252 . 1 . . . . . 351 ASN CA . 51683 1 611 . 1 . 1 76 76 ASN CB C 13 38.553 0.251 . 1 . . . . . 351 ASN CB . 51683 1 612 . 1 . 1 76 76 ASN N N 15 120.196 0.022 . 1 . . . . . 351 ASN N . 51683 1 613 . 1 . 1 77 77 THR H H 1 7.844 0.005 . 1 . . . . . 352 THR H . 51683 1 614 . 1 . 1 77 77 THR HB H 1 4.192 0.006 . 1 . . . . . 352 THR HB . 51683 1 615 . 1 . 1 77 77 THR HG1 H 1 5.377 0.002 . 1 . . . . . 352 THR HG1 . 51683 1 616 . 1 . 1 77 77 THR HG21 H 1 1.325 0.005 . 1 . . . . . 352 THR HG21 . 51683 1 617 . 1 . 1 77 77 THR HG22 H 1 1.325 0.005 . 1 . . . . . 352 THR HG22 . 51683 1 618 . 1 . 1 77 77 THR HG23 H 1 1.325 0.005 . 1 . . . . . 352 THR HG23 . 51683 1 619 . 1 . 1 77 77 THR C C 13 172.392 0.014 . 1 . . . . . 352 THR C . 51683 1 620 . 1 . 1 77 77 THR CA C 13 62.339 0.060 . 1 . . . . . 352 THR CA . 51683 1 621 . 1 . 1 77 77 THR CB C 13 70.678 0.173 . 1 . . . . . 352 THR CB . 51683 1 622 . 1 . 1 77 77 THR CG2 C 13 22.165 0.160 . 1 . . . . . 352 THR CG2 . 51683 1 623 . 1 . 1 77 77 THR N N 15 118.246 0.021 . 1 . . . . . 352 THR N . 51683 1 624 . 1 . 1 78 78 ARG H H 1 9.060 0.003 . 1 . . . . . 353 ARG H . 51683 1 625 . 1 . 1 78 78 ARG HA H 1 4.573 0.007 . 1 . . . . . 353 ARG HA . 51683 1 626 . 1 . 1 78 78 ARG HB2 H 1 1.957 0.004 . 2 . . . . . 353 ARG HB2 . 51683 1 627 . 1 . 1 78 78 ARG HB3 H 1 1.663 0.010 . 2 . . . . . 353 ARG HB3 . 51683 1 628 . 1 . 1 78 78 ARG C C 13 173.534 0.004 . 1 . . . . . 353 ARG C . 51683 1 629 . 1 . 1 78 78 ARG CA C 13 54.784 0.102 . 1 . . . . . 353 ARG CA . 51683 1 630 . 1 . 1 78 78 ARG CB C 13 34.575 0.176 . 1 . . . . . 353 ARG CB . 51683 1 631 . 1 . 1 78 78 ARG CG C 13 27.554 0.091 . 1 . . . . . 353 ARG CG . 51683 1 632 . 1 . 1 78 78 ARG CD C 13 43.031 0.215 . 1 . . . . . 353 ARG CD . 51683 1 633 . 1 . 1 78 78 ARG N N 15 125.499 0.022 . 1 . . . . . 353 ARG N . 51683 1 634 . 1 . 1 79 79 LEU H H 1 8.129 0.005 . 1 . . . . . 354 LEU H . 51683 1 635 . 1 . 1 79 79 LEU HA H 1 5.323 0.008 . 1 . . . . . 354 LEU HA . 51683 1 636 . 1 . 1 79 79 LEU HB2 H 1 1.673 0.014 . 1 . . . . . 354 LEU HB2 . 51683 1 637 . 1 . 1 79 79 LEU HG H 1 1.587 0.008 . 1 . . . . . 354 LEU HG . 51683 1 638 . 1 . 1 79 79 LEU HD11 H 1 0.651 0.018 . 2 . . . . . 354 LEU HD11 . 51683 1 639 . 1 . 1 79 79 LEU HD12 H 1 0.651 0.018 . 2 . . . . . 354 LEU HD12 . 51683 1 640 . 1 . 1 79 79 LEU HD13 H 1 0.651 0.018 . 2 . . . . . 354 LEU HD13 . 51683 1 641 . 1 . 1 79 79 LEU HD21 H 1 0.835 0.000 . 2 . . . . . 354 LEU HD21 . 51683 1 642 . 1 . 1 79 79 LEU HD22 H 1 0.835 0.000 . 2 . . . . . 354 LEU HD22 . 51683 1 643 . 1 . 1 79 79 LEU HD23 H 1 0.835 0.000 . 2 . . . . . 354 LEU HD23 . 51683 1 644 . 1 . 1 79 79 LEU C C 13 177.103 0.005 . 1 . . . . . 354 LEU C . 51683 1 645 . 1 . 1 79 79 LEU CA C 13 53.041 0.119 . 1 . . . . . 354 LEU CA . 51683 1 646 . 1 . 1 79 79 LEU CB C 13 42.315 0.202 . 1 . . . . . 354 LEU CB . 51683 1 647 . 1 . 1 79 79 LEU CG C 13 25.988 0.090 . 1 . . . . . 354 LEU CG . 51683 1 648 . 1 . 1 79 79 LEU CD1 C 13 23.170 0.149 . 1 . . . . . 354 LEU CD1 . 51683 1 649 . 1 . 1 79 79 LEU N N 15 121.583 0.048 . 1 . . . . . 354 LEU N . 51683 1 650 . 1 . 1 80 80 TYR H H 1 8.846 0.005 . 1 . . . . . 355 TYR H . 51683 1 651 . 1 . 1 80 80 TYR HA H 1 4.771 0.016 . 1 . . . . . 355 TYR HA . 51683 1 652 . 1 . 1 80 80 TYR C C 13 175.652 0.013 . 1 . . . . . 355 TYR C . 51683 1 653 . 1 . 1 80 80 TYR CA C 13 57.239 0.130 . 1 . . . . . 355 TYR CA . 51683 1 654 . 1 . 1 80 80 TYR CB C 13 43.344 0.173 . 1 . . . . . 355 TYR CB . 51683 1 655 . 1 . 1 80 80 TYR N N 15 120.491 0.064 . 1 . . . . . 355 TYR N . 51683 1 656 . 1 . 1 81 81 LYS H H 1 9.075 0.003 . 1 . . . . . 356 LYS H . 51683 1 657 . 1 . 1 81 81 LYS HA H 1 4.200 0.000 . 1 . . . . . 356 LYS HA . 51683 1 658 . 1 . 1 81 81 LYS HB2 H 1 1.950 0.000 . 1 . . . . . 356 LYS HB2 . 51683 1 659 . 1 . 1 81 81 LYS HG2 H 1 1.487 0.008 . 2 . . . . . 356 LYS HG2 . 51683 1 660 . 1 . 1 81 81 LYS HG3 H 1 1.554 0.000 . 2 . . . . . 356 LYS HG3 . 51683 1 661 . 1 . 1 81 81 LYS HD2 H 1 1.769 0.009 . 2 . . . . . 356 LYS HD2 . 51683 1 662 . 1 . 1 81 81 LYS HD3 H 1 1.936 0.002 . 2 . . . . . 356 LYS HD3 . 51683 1 663 . 1 . 1 81 81 LYS HE2 H 1 3.056 0.001 . 1 . . . . . 356 LYS HE2 . 51683 1 664 . 1 . 1 81 81 LYS C C 13 176.186 0.000 . 1 . . . . . 356 LYS C . 51683 1 665 . 1 . 1 81 81 LYS CA C 13 58.217 0.000 . 1 . . . . . 356 LYS CA . 51683 1 666 . 1 . 1 81 81 LYS CB C 13 32.816 0.150 . 1 . . . . . 356 LYS CB . 51683 1 667 . 1 . 1 81 81 LYS CG C 13 25.783 0.078 . 1 . . . . . 356 LYS CG . 51683 1 668 . 1 . 1 81 81 LYS CD C 13 29.275 0.125 . 1 . . . . . 356 LYS CD . 51683 1 669 . 1 . 1 81 81 LYS CE C 13 42.416 0.086 . 1 . . . . . 356 LYS CE . 51683 1 670 . 1 . 1 81 81 LYS N N 15 121.826 0.077 . 1 . . . . . 356 LYS N . 51683 1 671 . 1 . 1 82 82 TRP H H 1 7.746 0.004 . 1 . . . . . 357 TRP H . 51683 1 672 . 1 . 1 82 82 TRP HA H 1 4.502 0.009 . 1 . . . . . 357 TRP HA . 51683 1 673 . 1 . 1 82 82 TRP HB2 H 1 3.327 0.019 . 1 . . . . . 357 TRP HB2 . 51683 1 674 . 1 . 1 82 82 TRP C C 13 173.845 0.010 . 1 . . . . . 357 TRP C . 51683 1 675 . 1 . 1 82 82 TRP CA C 13 57.735 0.123 . 1 . . . . . 357 TRP CA . 51683 1 676 . 1 . 1 82 82 TRP CB C 13 31.481 0.154 . 1 . . . . . 357 TRP CB . 51683 1 677 . 1 . 1 82 82 TRP N N 15 116.934 0.048 . 1 . . . . . 357 TRP N . 51683 1 678 . 1 . 1 83 83 LEU H H 1 7.267 0.006 . 1 . . . . . 358 LEU H . 51683 1 679 . 1 . 1 83 83 LEU CA C 13 51.287 0.000 . 1 . . . . . 358 LEU CA . 51683 1 680 . 1 . 1 83 83 LEU CB C 13 44.912 0.000 . 1 . . . . . 358 LEU CB . 51683 1 681 . 1 . 1 83 83 LEU N N 15 121.290 0.114 . 1 . . . . . 358 LEU N . 51683 1 682 . 1 . 1 84 84 PRO HA H 1 4.461 0.000 . 1 . . . . . 359 PRO HA . 51683 1 683 . 1 . 1 84 84 PRO HB2 H 1 2.304 0.000 . 2 . . . . . 359 PRO HB2 . 51683 1 684 . 1 . 1 84 84 PRO HB3 H 1 2.330 0.000 . 2 . . . . . 359 PRO HB3 . 51683 1 685 . 1 . 1 84 84 PRO HG2 H 1 2.063 0.000 . 2 . . . . . 359 PRO HG2 . 51683 1 686 . 1 . 1 84 84 PRO HG3 H 1 1.914 0.000 . 2 . . . . . 359 PRO HG3 . 51683 1 687 . 1 . 1 84 84 PRO HD2 H 1 3.687 0.000 . 2 . . . . . 359 PRO HD2 . 51683 1 688 . 1 . 1 84 84 PRO HD3 H 1 3.851 0.000 . 2 . . . . . 359 PRO HD3 . 51683 1 689 . 1 . 1 84 84 PRO C C 13 176.595 0.000 . 1 . . . . . 359 PRO C . 51683 1 690 . 1 . 1 84 84 PRO CA C 13 62.911 0.000 . 1 . . . . . 359 PRO CA . 51683 1 691 . 1 . 1 84 84 PRO CB C 13 32.061 0.000 . 1 . . . . . 359 PRO CB . 51683 1 692 . 1 . 1 84 84 PRO CG C 13 27.157 0.000 . 1 . . . . . 359 PRO CG . 51683 1 693 . 1 . 1 84 84 PRO CD C 13 50.758 0.000 . 1 . . . . . 359 PRO CD . 51683 1 694 . 1 . 1 85 85 GLN H H 1 8.402 0.004 . 1 . . . . . 360 GLN H . 51683 1 695 . 1 . 1 85 85 GLN C C 13 175.502 0.000 . 1 . . . . . 360 GLN C . 51683 1 696 . 1 . 1 85 85 GLN CA C 13 53.133 0.000 . 1 . . . . . 360 GLN CA . 51683 1 697 . 1 . 1 85 85 GLN CB C 13 31.780 0.000 . 1 . . . . . 360 GLN CB . 51683 1 698 . 1 . 1 85 85 GLN N N 15 123.988 0.047 . 1 . . . . . 360 GLN N . 51683 1 699 . 1 . 1 86 86 ASN HA H 1 4.188 0.014 . 1 . . . . . 361 ASN HA . 51683 1 700 . 1 . 1 86 86 ASN HB2 H 1 2.918 0.001 . 2 . . . . . 361 ASN HB2 . 51683 1 701 . 1 . 1 86 86 ASN HB3 H 1 3.062 0.001 . 2 . . . . . 361 ASN HB3 . 51683 1 702 . 1 . 1 86 86 ASN C C 13 176.158 0.000 . 1 . . . . . 361 ASN C . 51683 1 703 . 1 . 1 86 86 ASN CA C 13 58.613 0.091 . 1 . . . . . 361 ASN CA . 51683 1 704 . 1 . 1 86 86 ASN CB C 13 40.125 0.071 . 1 . . . . . 361 ASN CB . 51683 1 705 . 1 . 1 87 87 ASP H H 1 7.426 0.004 . 1 . . . . . 362 ASP H . 51683 1 706 . 1 . 1 87 87 ASP C C 13 178.755 0.000 . 1 . . . . . 362 ASP C . 51683 1 707 . 1 . 1 87 87 ASP CA C 13 56.911 0.000 . 1 . . . . . 362 ASP CA . 51683 1 708 . 1 . 1 87 87 ASP CB C 13 40.324 0.000 . 1 . . . . . 362 ASP CB . 51683 1 709 . 1 . 1 87 87 ASP N N 15 116.126 0.022 . 1 . . . . . 362 ASP N . 51683 1 710 . 1 . 1 88 88 LEU H H 1 7.939 0.003 . 1 . . . . . 363 LEU H . 51683 1 711 . 1 . 1 88 88 LEU HA H 1 4.049 0.004 . 1 . . . . . 363 LEU HA . 51683 1 712 . 1 . 1 88 88 LEU HB2 H 1 1.639 0.054 . 1 . . . . . 363 LEU HB2 . 51683 1 713 . 1 . 1 88 88 LEU HD11 H 1 0.865 0.001 . 2 . . . . . 363 LEU HD11 . 51683 1 714 . 1 . 1 88 88 LEU HD12 H 1 0.865 0.001 . 2 . . . . . 363 LEU HD12 . 51683 1 715 . 1 . 1 88 88 LEU HD13 H 1 0.865 0.001 . 2 . . . . . 363 LEU HD13 . 51683 1 716 . 1 . 1 88 88 LEU HD21 H 1 0.781 0.000 . 2 . . . . . 363 LEU HD21 . 51683 1 717 . 1 . 1 88 88 LEU HD22 H 1 0.781 0.000 . 2 . . . . . 363 LEU HD22 . 51683 1 718 . 1 . 1 88 88 LEU HD23 H 1 0.781 0.000 . 2 . . . . . 363 LEU HD23 . 51683 1 719 . 1 . 1 88 88 LEU C C 13 179.706 0.000 . 1 . . . . . 363 LEU C . 51683 1 720 . 1 . 1 88 88 LEU CA C 13 57.208 0.166 . 1 . . . . . 363 LEU CA . 51683 1 721 . 1 . 1 88 88 LEU CB C 13 43.288 0.122 . 1 . . . . . 363 LEU CB . 51683 1 722 . 1 . 1 88 88 LEU CG C 13 25.389 0.164 . 1 . . . . . 363 LEU CG . 51683 1 723 . 1 . 1 88 88 LEU CD1 C 13 27.584 0.235 . 2 . . . . . 363 LEU CD1 . 51683 1 724 . 1 . 1 88 88 LEU CD2 C 13 23.796 0.006 . 2 . . . . . 363 LEU CD2 . 51683 1 725 . 1 . 1 88 88 LEU N N 15 118.695 0.095 . 1 . . . . . 363 LEU N . 51683 1 726 . 1 . 1 89 89 LEU H H 1 8.557 0.006 . 1 . . . . . 364 LEU H . 51683 1 727 . 1 . 1 89 89 LEU HA H 1 3.844 0.008 . 1 . . . . . 364 LEU HA . 51683 1 728 . 1 . 1 89 89 LEU HB2 H 1 1.452 0.000 . 1 . . . . . 364 LEU HB2 . 51683 1 729 . 1 . 1 89 89 LEU HD11 H 1 0.966 0.000 . 2 . . . . . 364 LEU HD11 . 51683 1 730 . 1 . 1 89 89 LEU HD12 H 1 0.966 0.000 . 2 . . . . . 364 LEU HD12 . 51683 1 731 . 1 . 1 89 89 LEU HD13 H 1 0.966 0.000 . 2 . . . . . 364 LEU HD13 . 51683 1 732 . 1 . 1 89 89 LEU HD21 H 1 1.003 0.000 . 2 . . . . . 364 LEU HD21 . 51683 1 733 . 1 . 1 89 89 LEU HD22 H 1 1.003 0.000 . 2 . . . . . 364 LEU HD22 . 51683 1 734 . 1 . 1 89 89 LEU HD23 H 1 1.003 0.000 . 2 . . . . . 364 LEU HD23 . 51683 1 735 . 1 . 1 89 89 LEU C C 13 176.244 0.006 . 1 . . . . . 364 LEU C . 51683 1 736 . 1 . 1 89 89 LEU CA C 13 58.220 0.086 . 1 . . . . . 364 LEU CA . 51683 1 737 . 1 . 1 89 89 LEU CB C 13 41.098 0.154 . 1 . . . . . 364 LEU CB . 51683 1 738 . 1 . 1 89 89 LEU CG C 13 26.569 0.068 . 1 . . . . . 364 LEU CG . 51683 1 739 . 1 . 1 89 89 LEU CD1 C 13 26.020 0.000 . 2 . . . . . 364 LEU CD1 . 51683 1 740 . 1 . 1 89 89 LEU CD2 C 13 23.980 0.000 . 2 . . . . . 364 LEU CD2 . 51683 1 741 . 1 . 1 89 89 LEU N N 15 121.771 0.050 . 1 . . . . . 364 LEU N . 51683 1 742 . 1 . 1 90 90 GLY H H 1 6.963 0.003 . 1 . . . . . 365 GLY H . 51683 1 743 . 1 . 1 90 90 GLY HA2 H 1 3.920 0.007 . 2 . . . . . 365 GLY HA2 . 51683 1 744 . 1 . 1 90 90 GLY HA3 H 1 2.873 0.001 . 2 . . . . . 365 GLY HA3 . 51683 1 745 . 1 . 1 90 90 GLY C C 13 172.920 0.014 . 1 . . . . . 365 GLY C . 51683 1 746 . 1 . 1 90 90 GLY CA C 13 45.761 0.096 . 1 . . . . . 365 GLY CA . 51683 1 747 . 1 . 1 90 90 GLY N N 15 99.9335 0.000 . 1 . . . . . 365 GLY N . 51683 1 748 . 1 . 1 91 91 HIS H H 1 7.506 0.001 . 1 . . . . . 366 HIS H . 51683 1 749 . 1 . 1 91 91 HIS HA H 1 4.465 0.000 . 1 . . . . . 366 HIS HA . 51683 1 750 . 1 . 1 91 91 HIS C C 13 175.944 0.000 . 1 . . . . . 366 HIS C . 51683 1 751 . 1 . 1 91 91 HIS CA C 13 56.639 0.000 . 1 . . . . . 366 HIS CA . 51683 1 752 . 1 . 1 91 91 HIS CB C 13 31.571 0.000 . 1 . . . . . 366 HIS CB . 51683 1 753 . 1 . 1 91 91 HIS N N 15 125.895 0.022 . 1 . . . . . 366 HIS N . 51683 1 754 . 1 . 1 92 92 PRO HA H 1 4.444 0.009 . 1 . . . . . 367 PRO HA . 51683 1 755 . 1 . 1 92 92 PRO HB2 H 1 2.322 0.042 . 1 . . . . . 367 PRO HB2 . 51683 1 756 . 1 . 1 92 92 PRO HG2 H 1 1.921 0.014 . 1 . . . . . 367 PRO HG2 . 51683 1 757 . 1 . 1 92 92 PRO HD2 H 1 3.524 0.004 . 1 . . . . . 367 PRO HD2 . 51683 1 758 . 1 . 1 92 92 PRO C C 13 178.835 0.000 . 1 . . . . . 367 PRO C . 51683 1 759 . 1 . 1 92 92 PRO CA C 13 65.098 0.123 . 1 . . . . . 367 PRO CA . 51683 1 760 . 1 . 1 92 92 PRO CB C 13 32.607 0.146 . 1 . . . . . 367 PRO CB . 51683 1 761 . 1 . 1 92 92 PRO CG C 13 27.480 0.124 . 1 . . . . . 367 PRO CG . 51683 1 762 . 1 . 1 92 92 PRO CD C 13 50.892 0.111 . 1 . . . . . 367 PRO CD . 51683 1 763 . 1 . 1 93 93 LYS H H 1 10.939 0.005 . 1 . . . . . 368 LYS H . 51683 1 764 . 1 . 1 93 93 LYS HA H 1 4.415 0.012 . 1 . . . . . 368 LYS HA . 51683 1 765 . 1 . 1 93 93 LYS HB2 H 1 1.859 0.013 . 1 . . . . . 368 LYS HB2 . 51683 1 766 . 1 . 1 93 93 LYS HD2 H 1 1.599 0.006 . 1 . . . . . 368 LYS HD2 . 51683 1 767 . 1 . 1 93 93 LYS HE2 H 1 3.081 0.002 . 1 . . . . . 368 LYS HE2 . 51683 1 768 . 1 . 1 93 93 LYS C C 13 177.141 0.008 . 1 . . . . . 368 LYS C . 51683 1 769 . 1 . 1 93 93 LYS CA C 13 56.817 0.108 . 1 . . . . . 368 LYS CA . 51683 1 770 . 1 . 1 93 93 LYS CB C 13 32.771 0.178 . 1 . . . . . 368 LYS CB . 51683 1 771 . 1 . 1 93 93 LYS CG C 13 26.006 0.087 . 1 . . . . . 368 LYS CG . 51683 1 772 . 1 . 1 93 93 LYS CD C 13 29.254 0.110 . 1 . . . . . 368 LYS CD . 51683 1 773 . 1 . 1 93 93 LYS CE C 13 43.144 0.433 . 1 . . . . . 368 LYS CE . 51683 1 774 . 1 . 1 93 93 LYS N N 15 118.830 0.066 . 1 . . . . . 368 LYS N . 51683 1 775 . 1 . 1 94 94 THR H H 1 8.069 0.007 . 1 . . . . . 369 THR H . 51683 1 776 . 1 . 1 94 94 THR HA H 1 4.207 0.007 . 1 . . . . . 369 THR HA . 51683 1 777 . 1 . 1 94 94 THR HB H 1 4.040 0.002 . 1 . . . . . 369 THR HB . 51683 1 778 . 1 . 1 94 94 THR HG21 H 1 1.147 0.008 . 1 . . . . . 369 THR HG21 . 51683 1 779 . 1 . 1 94 94 THR HG22 H 1 1.147 0.008 . 1 . . . . . 369 THR HG22 . 51683 1 780 . 1 . 1 94 94 THR HG23 H 1 1.147 0.008 . 1 . . . . . 369 THR HG23 . 51683 1 781 . 1 . 1 94 94 THR C C 13 175.484 0.000 . 1 . . . . . 369 THR C . 51683 1 782 . 1 . 1 94 94 THR CA C 13 65.748 0.034 . 1 . . . . . 369 THR CA . 51683 1 783 . 1 . 1 94 94 THR CB C 13 67.009 0.150 . 1 . . . . . 369 THR CB . 51683 1 784 . 1 . 1 94 94 THR CG2 C 13 25.115 0.081 . 1 . . . . . 369 THR CG2 . 51683 1 785 . 1 . 1 94 94 THR N N 15 120.236 0.042 . 1 . . . . . 369 THR N . 51683 1 786 . 1 . 1 95 95 LYS H H 1 9.653 0.004 . 1 . . . . . 370 LYS H . 51683 1 787 . 1 . 1 95 95 LYS HA H 1 4.606 0.010 . 1 . . . . . 370 LYS HA . 51683 1 788 . 1 . 1 95 95 LYS HB2 H 1 1.911 0.000 . 1 . . . . . 370 LYS HB2 . 51683 1 789 . 1 . 1 95 95 LYS HD2 H 1 1.754 0.014 . 1 . . . . . 370 LYS HD2 . 51683 1 790 . 1 . 1 95 95 LYS C C 13 175.898 0.002 . 1 . . . . . 370 LYS C . 51683 1 791 . 1 . 1 95 95 LYS CA C 13 55.031 0.072 . 1 . . . . . 370 LYS CA . 51683 1 792 . 1 . 1 95 95 LYS CB C 13 35.230 0.213 . 1 . . . . . 370 LYS CB . 51683 1 793 . 1 . 1 95 95 LYS CG C 13 24.170 0.000 . 1 . . . . . 370 LYS CG . 51683 1 794 . 1 . 1 95 95 LYS CD C 13 27.340 0.028 . 1 . . . . . 370 LYS CD . 51683 1 795 . 1 . 1 95 95 LYS CE C 13 42.222 0.000 . 1 . . . . . 370 LYS CE . 51683 1 796 . 1 . 1 95 95 LYS N N 15 125.111 0.032 . 1 . . . . . 370 LYS N . 51683 1 797 . 1 . 1 96 96 ALA H H 1 7.242 0.005 . 1 . . . . . 371 ALA H . 51683 1 798 . 1 . 1 96 96 ALA HA H 1 4.752 0.005 . 1 . . . . . 371 ALA HA . 51683 1 799 . 1 . 1 96 96 ALA HB1 H 1 1.131 0.005 . 1 . . . . . 371 ALA HB1 . 51683 1 800 . 1 . 1 96 96 ALA HB2 H 1 1.131 0.005 . 1 . . . . . 371 ALA HB2 . 51683 1 801 . 1 . 1 96 96 ALA HB3 H 1 1.131 0.005 . 1 . . . . . 371 ALA HB3 . 51683 1 802 . 1 . 1 96 96 ALA C C 13 173.853 0.009 . 1 . . . . . 371 ALA C . 51683 1 803 . 1 . 1 96 96 ALA CA C 13 51.839 0.107 . 1 . . . . . 371 ALA CA . 51683 1 804 . 1 . 1 96 96 ALA CB C 13 22.302 0.130 . 1 . . . . . 371 ALA CB . 51683 1 805 . 1 . 1 96 96 ALA N N 15 113.234 0.039 . 1 . . . . . 371 ALA N . 51683 1 806 . 1 . 1 97 97 PHE H H 1 8.028 0.010 . 1 . . . . . 372 PHE H . 51683 1 807 . 1 . 1 97 97 PHE HB2 H 1 2.809 0.008 . 1 . . . . . 372 PHE HB2 . 51683 1 808 . 1 . 1 97 97 PHE C C 13 173.304 0.000 . 1 . . . . . 372 PHE C . 51683 1 809 . 1 . 1 97 97 PHE CA C 13 52.087 0.018 . 1 . . . . . 372 PHE CA . 51683 1 810 . 1 . 1 97 97 PHE CB C 13 42.270 0.126 . 1 . . . . . 372 PHE CB . 51683 1 811 . 1 . 1 97 97 PHE N N 15 121.583 0.029 . 1 . . . . . 372 PHE N . 51683 1 812 . 1 . 1 98 98 ILE H H 1 9.232 0.004 . 1 . . . . . 373 ILE H . 51683 1 813 . 1 . 1 98 98 ILE C C 13 172.792 0.010 . 1 . . . . . 373 ILE C . 51683 1 814 . 1 . 1 98 98 ILE CA C 13 59.975 0.068 . 1 . . . . . 373 ILE CA . 51683 1 815 . 1 . 1 98 98 ILE CB C 13 36.894 0.000 . 1 . . . . . 373 ILE CB . 51683 1 816 . 1 . 1 98 98 ILE CG1 C 13 26.631 0.000 . 1 . . . . . 373 ILE CG1 . 51683 1 817 . 1 . 1 98 98 ILE CG2 C 13 17.812 0.000 . 1 . . . . . 373 ILE CG2 . 51683 1 818 . 1 . 1 98 98 ILE N N 15 128.402 0.077 . 1 . . . . . 373 ILE N . 51683 1 819 . 1 . 1 99 99 THR H H 1 7.767 0.008 . 1 . . . . . 374 THR H . 51683 1 820 . 1 . 1 99 99 THR CA C 13 57.001 0.000 . 1 . . . . . 374 THR CA . 51683 1 821 . 1 . 1 99 99 THR N N 15 118.189 0.056 . 1 . . . . . 374 THR N . 51683 1 822 . 1 . 1 102 102 GLY HA2 H 1 3.615 0.011 . 2 . . . . . 377 GLY HA2 . 51683 1 823 . 1 . 1 102 102 GLY HA3 H 1 4.129 0.004 . 2 . . . . . 377 GLY HA3 . 51683 1 824 . 1 . 1 102 102 GLY C C 13 174.664 0.000 . 1 . . . . . 377 GLY C . 51683 1 825 . 1 . 1 102 102 GLY CA C 13 45.814 0.131 . 1 . . . . . 377 GLY CA . 51683 1 826 . 1 . 1 103 103 THR H H 1 8.595 0.002 . 1 . . . . . 378 THR H . 51683 1 827 . 1 . 1 103 103 THR HB H 1 3.967 0.005 . 1 . . . . . 378 THR HB . 51683 1 828 . 1 . 1 103 103 THR HG21 H 1 1.124 0.003 . 1 . . . . . 378 THR HG21 . 51683 1 829 . 1 . 1 103 103 THR HG22 H 1 1.124 0.003 . 1 . . . . . 378 THR HG22 . 51683 1 830 . 1 . 1 103 103 THR HG23 H 1 1.124 0.003 . 1 . . . . . 378 THR HG23 . 51683 1 831 . 1 . 1 103 103 THR C C 13 175.139 0.000 . 1 . . . . . 378 THR C . 51683 1 832 . 1 . 1 103 103 THR CA C 13 67.033 0.088 . 1 . . . . . 378 THR CA . 51683 1 833 . 1 . 1 103 103 THR CB C 13 68.676 0.000 . 1 . . . . . 378 THR CB . 51683 1 834 . 1 . 1 103 103 THR CG2 C 13 22.536 0.104 . 1 . . . . . 378 THR CG2 . 51683 1 835 . 1 . 1 103 103 THR N N 15 118.753 0.097 . 1 . . . . . 378 THR N . 51683 1 836 . 1 . 1 104 104 ASN H H 1 8.602 0.012 . 1 . . . . . 379 ASN H . 51683 1 837 . 1 . 1 104 104 ASN HA H 1 4.332 0.029 . 1 . . . . . 379 ASN HA . 51683 1 838 . 1 . 1 104 104 ASN HB2 H 1 2.850 0.004 . 2 . . . . . 379 ASN HB2 . 51683 1 839 . 1 . 1 104 104 ASN HB3 H 1 2.940 0.004 . 2 . . . . . 379 ASN HB3 . 51683 1 840 . 1 . 1 104 104 ASN C C 13 177.481 0.000 . 1 . . . . . 379 ASN C . 51683 1 841 . 1 . 1 104 104 ASN CA C 13 57.441 0.134 . 1 . . . . . 379 ASN CA . 51683 1 842 . 1 . 1 104 104 ASN CB C 13 37.813 0.238 . 1 . . . . . 379 ASN CB . 51683 1 843 . 1 . 1 104 104 ASN N N 15 117.811 0.050 . 1 . . . . . 379 ASN N . 51683 1 844 . 1 . 1 105 105 GLY H H 1 7.978 0.003 . 1 . . . . . 380 GLY H . 51683 1 845 . 1 . 1 105 105 GLY CA C 13 47.254 0.000 . 1 . . . . . 380 GLY CA . 51683 1 846 . 1 . 1 105 105 GLY N N 15 107.427 0.087 . 1 . . . . . 380 GLY N . 51683 1 847 . 1 . 1 106 106 ILE HA H 1 3.948 0.005 . 1 . . . . . 381 ILE HA . 51683 1 848 . 1 . 1 106 106 ILE HB H 1 1.946 0.009 . 1 . . . . . 381 ILE HB . 51683 1 849 . 1 . 1 106 106 ILE HG12 H 1 1.472 0.000 . 2 . . . . . 381 ILE HG12 . 51683 1 850 . 1 . 1 106 106 ILE HG13 H 1 1.193 0.003 . 2 . . . . . 381 ILE HG13 . 51683 1 851 . 1 . 1 106 106 ILE HG21 H 1 0.893 0.010 . 1 . . . . . 381 ILE HG21 . 51683 1 852 . 1 . 1 106 106 ILE HG22 H 1 0.893 0.010 . 1 . . . . . 381 ILE HG22 . 51683 1 853 . 1 . 1 106 106 ILE HG23 H 1 0.893 0.010 . 1 . . . . . 381 ILE HG23 . 51683 1 854 . 1 . 1 106 106 ILE C C 13 177.983 0.000 . 1 . . . . . 381 ILE C . 51683 1 855 . 1 . 1 106 106 ILE CA C 13 65.132 0.122 . 1 . . . . . 381 ILE CA . 51683 1 856 . 1 . 1 106 106 ILE CB C 13 36.776 0.151 . 1 . . . . . 381 ILE CB . 51683 1 857 . 1 . 1 106 106 ILE CG1 C 13 28.742 0.384 . 1 . . . . . 381 ILE CG1 . 51683 1 858 . 1 . 1 106 106 ILE CG2 C 13 18.033 0.137 . 1 . . . . . 381 ILE CG2 . 51683 1 859 . 1 . 1 106 106 ILE CD1 C 13 13.619 0.141 . 1 . . . . . 381 ILE CD1 . 51683 1 860 . 1 . 1 107 107 TYR H H 1 8.145 0.008 . 1 . . . . . 382 TYR H . 51683 1 861 . 1 . 1 107 107 TYR HA H 1 4.360 0.010 . 1 . . . . . 382 TYR HA . 51683 1 862 . 1 . 1 107 107 TYR HB2 H 1 3.081 0.007 . 1 . . . . . 382 TYR HB2 . 51683 1 863 . 1 . 1 107 107 TYR C C 13 179.148 0.012 . 1 . . . . . 382 TYR C . 51683 1 864 . 1 . 1 107 107 TYR CA C 13 61.239 0.125 . 1 . . . . . 382 TYR CA . 51683 1 865 . 1 . 1 107 107 TYR CB C 13 36.834 0.000 . 1 . . . . . 382 TYR CB . 51683 1 866 . 1 . 1 107 107 TYR N N 15 117.611 0.089 . 1 . . . . . 382 TYR N . 51683 1 867 . 1 . 1 108 108 GLU H H 1 8.021 0.005 . 1 . . . . . 383 GLU H . 51683 1 868 . 1 . 1 108 108 GLU HA H 1 4.192 0.000 . 1 . . . . . 383 GLU HA . 51683 1 869 . 1 . 1 108 108 GLU HB2 H 1 2.027 0.092 . 1 . . . . . 383 GLU HB2 . 51683 1 870 . 1 . 1 108 108 GLU HG2 H 1 2.136 0.013 . 1 . . . . . 383 GLU HG2 . 51683 1 871 . 1 . 1 108 108 GLU C C 13 178.139 0.000 . 1 . . . . . 383 GLU C . 51683 1 872 . 1 . 1 108 108 GLU CA C 13 60.089 0.104 . 1 . . . . . 383 GLU CA . 51683 1 873 . 1 . 1 108 108 GLU CB C 13 30.043 0.112 . 1 . . . . . 383 GLU CB . 51683 1 874 . 1 . 1 108 108 GLU CG C 13 36.727 0.159 . 1 . . . . . 383 GLU CG . 51683 1 875 . 1 . 1 108 108 GLU N N 15 119.905 0.077 . 1 . . . . . 383 GLU N . 51683 1 876 . 1 . 1 109 109 ALA H H 1 8.499 0.004 . 1 . . . . . 384 ALA H . 51683 1 877 . 1 . 1 109 109 ALA HA H 1 3.983 0.004 . 1 . . . . . 384 ALA HA . 51683 1 878 . 1 . 1 109 109 ALA HB1 H 1 2.021 0.053 . 1 . . . . . 384 ALA HB1 . 51683 1 879 . 1 . 1 109 109 ALA HB2 H 1 2.021 0.053 . 1 . . . . . 384 ALA HB2 . 51683 1 880 . 1 . 1 109 109 ALA HB3 H 1 2.021 0.053 . 1 . . . . . 384 ALA HB3 . 51683 1 881 . 1 . 1 109 109 ALA C C 13 180.545 0.007 . 1 . . . . . 384 ALA C . 51683 1 882 . 1 . 1 109 109 ALA CA C 13 56.780 0.122 . 1 . . . . . 384 ALA CA . 51683 1 883 . 1 . 1 109 109 ALA CB C 13 18.073 0.186 . 1 . . . . . 384 ALA CB . 51683 1 884 . 1 . 1 109 109 ALA N N 15 122.345 0.141 . 1 . . . . . 384 ALA N . 51683 1 885 . 1 . 1 110 110 ILE H H 1 8.693 0.006 . 1 . . . . . 385 ILE H . 51683 1 886 . 1 . 1 110 110 ILE HA H 1 3.572 0.005 . 1 . . . . . 385 ILE HA . 51683 1 887 . 1 . 1 110 110 ILE HB H 1 1.949 0.012 . 1 . . . . . 385 ILE HB . 51683 1 888 . 1 . 1 110 110 ILE HG12 H 1 0.841 0.009 . 1 . . . . . 385 ILE HG12 . 51683 1 889 . 1 . 1 110 110 ILE C C 13 177.980 0.006 . 1 . . . . . 385 ILE C . 51683 1 890 . 1 . 1 110 110 ILE CA C 13 65.966 0.092 . 1 . . . . . 385 ILE CA . 51683 1 891 . 1 . 1 110 110 ILE CB C 13 38.838 0.150 . 1 . . . . . 385 ILE CB . 51683 1 892 . 1 . 1 110 110 ILE CG1 C 13 29.609 0.135 . 1 . . . . . 385 ILE CG1 . 51683 1 893 . 1 . 1 110 110 ILE CG2 C 13 17.822 0.093 . 1 . . . . . 385 ILE CG2 . 51683 1 894 . 1 . 1 110 110 ILE CD1 C 13 14.684 0.108 . 1 . . . . . 385 ILE CD1 . 51683 1 895 . 1 . 1 110 110 ILE N N 15 117.535 0.025 . 1 . . . . . 385 ILE N . 51683 1 896 . 1 . 1 111 111 TYR H H 1 8.488 0.004 . 1 . . . . . 386 TYR H . 51683 1 897 . 1 . 1 111 111 TYR HA H 1 3.975 0.010 . 1 . . . . . 386 TYR HA . 51683 1 898 . 1 . 1 111 111 TYR HB2 H 1 3.180 0.009 . 2 . . . . . 386 TYR HB2 . 51683 1 899 . 1 . 1 111 111 TYR HB3 H 1 2.884 0.001 . 2 . . . . . 386 TYR HB3 . 51683 1 900 . 1 . 1 111 111 TYR C C 13 177.952 0.000 . 1 . . . . . 386 TYR C . 51683 1 901 . 1 . 1 111 111 TYR CA C 13 62.069 0.060 . 1 . . . . . 386 TYR CA . 51683 1 902 . 1 . 1 111 111 TYR CB C 13 38.418 0.000 . 1 . . . . . 386 TYR CB . 51683 1 903 . 1 . 1 111 111 TYR N N 15 121.003 0.029 . 1 . . . . . 386 TYR N . 51683 1 904 . 1 . 1 112 112 HIS H H 1 8.081 0.005 . 1 . . . . . 387 HIS H . 51683 1 905 . 1 . 1 112 112 HIS HA H 1 4.462 0.005 . 1 . . . . . 387 HIS HA . 51683 1 906 . 1 . 1 112 112 HIS HB2 H 1 3.177 0.016 . 2 . . . . . 387 HIS HB2 . 51683 1 907 . 1 . 1 112 112 HIS HB3 H 1 2.688 0.022 . 2 . . . . . 387 HIS HB3 . 51683 1 908 . 1 . 1 112 112 HIS C C 13 175.396 0.004 . 1 . . . . . 387 HIS C . 51683 1 909 . 1 . 1 112 112 HIS CA C 13 57.340 0.161 . 1 . . . . . 387 HIS CA . 51683 1 910 . 1 . 1 112 112 HIS CB C 13 32.452 0.232 . 1 . . . . . 387 HIS CB . 51683 1 911 . 1 . 1 112 112 HIS N N 15 114.199 0.046 . 1 . . . . . 387 HIS N . 51683 1 912 . 1 . 1 113 113 GLY H H 1 8.084 0.002 . 1 . . . . . 388 GLY H . 51683 1 913 . 1 . 1 113 113 GLY HA2 H 1 4.206 0.011 . 2 . . . . . 388 GLY HA2 . 51683 1 914 . 1 . 1 113 113 GLY HA3 H 1 3.573 0.011 . 2 . . . . . 388 GLY HA3 . 51683 1 915 . 1 . 1 113 113 GLY C C 13 173.239 0.006 . 1 . . . . . 388 GLY C . 51683 1 916 . 1 . 1 113 113 GLY CA C 13 47.854 0.097 . 1 . . . . . 388 GLY CA . 51683 1 917 . 1 . 1 113 113 GLY N N 15 112.366 0.059 . 1 . . . . . 388 GLY N . 51683 1 918 . 1 . 1 114 114 ILE H H 1 8.673 0.002 . 1 . . . . . 389 ILE H . 51683 1 919 . 1 . 1 114 114 ILE C C 13 172.084 0.000 . 1 . . . . . 389 ILE C . 51683 1 920 . 1 . 1 114 114 ILE CA C 13 54.525 0.000 . 1 . . . . . 389 ILE CA . 51683 1 921 . 1 . 1 114 114 ILE CB C 13 37.869 0.000 . 1 . . . . . 389 ILE CB . 51683 1 922 . 1 . 1 114 114 ILE N N 15 122.625 0.020 . 1 . . . . . 389 ILE N . 51683 1 923 . 1 . 1 115 115 PRO HA H 1 4.612 0.005 . 1 . . . . . 390 PRO HA . 51683 1 924 . 1 . 1 115 115 PRO HB2 H 1 1.969 0.021 . 1 . . . . . 390 PRO HB2 . 51683 1 925 . 1 . 1 115 115 PRO HG2 H 1 1.939 0.008 . 1 . . . . . 390 PRO HG2 . 51683 1 926 . 1 . 1 115 115 PRO HD2 H 1 3.742 0.000 . 1 . . . . . 390 PRO HD2 . 51683 1 927 . 1 . 1 115 115 PRO C C 13 175.478 0.000 . 1 . . . . . 390 PRO C . 51683 1 928 . 1 . 1 115 115 PRO CA C 13 63.246 0.102 . 1 . . . . . 390 PRO CA . 51683 1 929 . 1 . 1 115 115 PRO CB C 13 33.314 0.145 . 1 . . . . . 390 PRO CB . 51683 1 930 . 1 . 1 115 115 PRO CG C 13 27.272 0.099 . 1 . . . . . 390 PRO CG . 51683 1 931 . 1 . 1 115 115 PRO CD C 13 50.719 0.075 . 1 . . . . . 390 PRO CD . 51683 1 932 . 1 . 1 116 116 MET H H 1 7.228 0.009 . 1 . . . . . 391 MET H . 51683 1 933 . 1 . 1 116 116 MET HA H 1 5.074 0.595 . 1 . . . . . 391 MET HA . 51683 1 934 . 1 . 1 116 116 MET HB2 H 1 1.782 0.003 . 1 . . . . . 391 MET HB2 . 51683 1 935 . 1 . 1 116 116 MET HG2 H 1 2.517 0.002 . 2 . . . . . 391 MET HG2 . 51683 1 936 . 1 . 1 116 116 MET HG3 H 1 2.581 0.008 . 2 . . . . . 391 MET HG3 . 51683 1 937 . 1 . 1 116 116 MET C C 13 175.567 0.027 . 1 . . . . . 391 MET C . 51683 1 938 . 1 . 1 116 116 MET CA C 13 54.391 0.109 . 1 . . . . . 391 MET CA . 51683 1 939 . 1 . 1 116 116 MET CB C 13 40.343 0.267 . 1 . . . . . 391 MET CB . 51683 1 940 . 1 . 1 116 116 MET CG C 13 32.805 0.074 . 1 . . . . . 391 MET CG . 51683 1 941 . 1 . 1 116 116 MET CE C 13 18.237 0.000 . 1 . . . . . 391 MET CE . 51683 1 942 . 1 . 1 116 116 MET N N 15 113.491 0.054 . 1 . . . . . 391 MET N . 51683 1 943 . 1 . 1 117 117 VAL H H 1 8.265 0.004 . 1 . . . . . 392 VAL H . 51683 1 944 . 1 . 1 117 117 VAL HA H 1 4.270 0.006 . 1 . . . . . 392 VAL HA . 51683 1 945 . 1 . 1 117 117 VAL HB H 1 1.612 0.001 . 1 . . . . . 392 VAL HB . 51683 1 946 . 1 . 1 117 117 VAL HG11 H 1 0.583 0.004 . 2 . . . . . 392 VAL HG11 . 51683 1 947 . 1 . 1 117 117 VAL HG12 H 1 0.583 0.004 . 2 . . . . . 392 VAL HG12 . 51683 1 948 . 1 . 1 117 117 VAL HG13 H 1 0.583 0.004 . 2 . . . . . 392 VAL HG13 . 51683 1 949 . 1 . 1 117 117 VAL HG21 H 1 0.487 0.020 . 2 . . . . . 392 VAL HG21 . 51683 1 950 . 1 . 1 117 117 VAL HG22 H 1 0.487 0.020 . 2 . . . . . 392 VAL HG22 . 51683 1 951 . 1 . 1 117 117 VAL HG23 H 1 0.487 0.020 . 2 . . . . . 392 VAL HG23 . 51683 1 952 . 1 . 1 117 117 VAL C C 13 175.063 0.005 . 1 . . . . . 392 VAL C . 51683 1 953 . 1 . 1 117 117 VAL CA C 13 61.574 0.111 . 1 . . . . . 392 VAL CA . 51683 1 954 . 1 . 1 117 117 VAL CB C 13 33.560 0.095 . 1 . . . . . 392 VAL CB . 51683 1 955 . 1 . 1 117 117 VAL CG1 C 13 21.955 0.205 . 2 . . . . . 392 VAL CG1 . 51683 1 956 . 1 . 1 117 117 VAL CG2 C 13 21.021 0.118 . 2 . . . . . 392 VAL CG2 . 51683 1 957 . 1 . 1 117 117 VAL N N 15 118.005 0.036 . 1 . . . . . 392 VAL N . 51683 1 958 . 1 . 1 118 118 GLY H H 1 9.252 0.005 . 1 . . . . . 393 GLY H . 51683 1 959 . 1 . 1 118 118 GLY HA2 H 1 3.988 0.000 . 1 . . . . . 393 GLY HA2 . 51683 1 960 . 1 . 1 118 118 GLY CA C 13 43.967 0.000 . 1 . . . . . 393 GLY CA . 51683 1 961 . 1 . 1 118 118 GLY N N 15 111.481 0.017 . 1 . . . . . 393 GLY N . 51683 1 962 . 1 . 1 120 120 PRO C C 13 177.485 0.000 . 1 . . . . . 395 PRO C . 51683 1 963 . 1 . 1 120 120 PRO CA C 13 62.794 0.000 . 1 . . . . . 395 PRO CA . 51683 1 964 . 1 . 1 120 120 PRO CB C 13 32.582 0.000 . 1 . . . . . 395 PRO CB . 51683 1 965 . 1 . 1 120 120 PRO CD C 13 49.795 0.000 . 1 . . . . . 395 PRO CD . 51683 1 966 . 1 . 1 121 121 LEU H H 1 8.404 0.003 . 1 . . . . . 396 LEU H . 51683 1 967 . 1 . 1 121 121 LEU HA H 1 4.259 0.000 . 1 . . . . . 396 LEU HA . 51683 1 968 . 1 . 1 121 121 LEU HB2 H 1 1.494 0.000 . 1 . . . . . 396 LEU HB2 . 51683 1 969 . 1 . 1 121 121 LEU HG H 1 1.348 0.000 . 1 . . . . . 396 LEU HG . 51683 1 970 . 1 . 1 121 121 LEU HD11 H 1 0.886 0.000 . 1 . . . . . 396 LEU HD11 . 51683 1 971 . 1 . 1 121 121 LEU HD12 H 1 0.886 0.000 . 1 . . . . . 396 LEU HD12 . 51683 1 972 . 1 . 1 121 121 LEU HD13 H 1 0.886 0.000 . 1 . . . . . 396 LEU HD13 . 51683 1 973 . 1 . 1 121 121 LEU CA C 13 55.715 0.041 . 1 . . . . . 396 LEU CA . 51683 1 974 . 1 . 1 121 121 LEU CB C 13 43.691 0.000 . 1 . . . . . 396 LEU CB . 51683 1 975 . 1 . 1 121 121 LEU N N 15 119.495 0.073 . 1 . . . . . 396 LEU N . 51683 1 976 . 1 . 1 122 122 PHE H H 1 7.659 0.007 . 1 . . . . . 397 PHE H . 51683 1 977 . 1 . 1 122 122 PHE CA C 13 56.158 0.000 . 1 . . . . . 397 PHE CA . 51683 1 978 . 1 . 1 122 122 PHE CB C 13 42.349 0.000 . 1 . . . . . 397 PHE CB . 51683 1 979 . 1 . 1 122 122 PHE N N 15 117.681 0.038 . 1 . . . . . 397 PHE N . 51683 1 980 . 1 . 1 123 123 ALA HA H 1 4.222 0.007 . 1 . . . . . 398 ALA HA . 51683 1 981 . 1 . 1 123 123 ALA HB1 H 1 1.615 0.005 . 1 . . . . . 398 ALA HB1 . 51683 1 982 . 1 . 1 123 123 ALA HB2 H 1 1.615 0.005 . 1 . . . . . 398 ALA HB2 . 51683 1 983 . 1 . 1 123 123 ALA HB3 H 1 1.615 0.005 . 1 . . . . . 398 ALA HB3 . 51683 1 984 . 1 . 1 123 123 ALA C C 13 178.885 0.000 . 1 . . . . . 398 ALA C . 51683 1 985 . 1 . 1 123 123 ALA CA C 13 56.615 0.212 . 1 . . . . . 398 ALA CA . 51683 1 986 . 1 . 1 123 123 ALA CB C 13 18.794 0.097 . 1 . . . . . 398 ALA CB . 51683 1 987 . 1 . 1 124 124 ASP H H 1 9.024 0.002 . 1 . . . . . 399 ASP H . 51683 1 988 . 1 . 1 124 124 ASP HA H 1 4.471 0.010 . 1 . . . . . 399 ASP HA . 51683 1 989 . 1 . 1 124 124 ASP HB2 H 1 2.828 0.000 . 2 . . . . . 399 ASP HB2 . 51683 1 990 . 1 . 1 124 124 ASP HB3 H 1 2.791 0.001 . 2 . . . . . 399 ASP HB3 . 51683 1 991 . 1 . 1 124 124 ASP C C 13 177.943 0.005 . 1 . . . . . 399 ASP C . 51683 1 992 . 1 . 1 124 124 ASP CA C 13 56.714 0.135 . 1 . . . . . 399 ASP CA . 51683 1 993 . 1 . 1 124 124 ASP CB C 13 38.736 0.000 . 1 . . . . . 399 ASP CB . 51683 1 994 . 1 . 1 124 124 ASP N N 15 116.550 0.017 . 1 . . . . . 399 ASP N . 51683 1 995 . 1 . 1 125 125 GLN H H 1 7.383 0.003 . 1 . . . . . 400 GLN H . 51683 1 996 . 1 . 1 125 125 GLN HA H 1 4.065 0.006 . 1 . . . . . 400 GLN HA . 51683 1 997 . 1 . 1 125 125 GLN HB2 H 1 2.148 0.003 . 1 . . . . . 400 GLN HB2 . 51683 1 998 . 1 . 1 125 125 GLN HG2 H 1 2.192 0.134 . 1 . . . . . 400 GLN HG2 . 51683 1 999 . 1 . 1 125 125 GLN C C 13 178.853 0.017 . 1 . . . . . 400 GLN C . 51683 1 1000 . 1 . 1 125 125 GLN CA C 13 58.456 0.192 . 1 . . . . . 400 GLN CA . 51683 1 1001 . 1 . 1 125 125 GLN CB C 13 26.945 0.284 . 1 . . . . . 400 GLN CB . 51683 1 1002 . 1 . 1 125 125 GLN CG C 13 33.499 0.144 . 1 . . . . . 400 GLN CG . 51683 1 1003 . 1 . 1 125 125 GLN N N 15 120.414 0.035 . 1 . . . . . 400 GLN N . 51683 1 1004 . 1 . 1 126 126 HIS H H 1 8.285 0.003 . 1 . . . . . 401 HIS H . 51683 1 1005 . 1 . 1 126 126 HIS HA H 1 3.954 0.004 . 1 . . . . . 401 HIS HA . 51683 1 1006 . 1 . 1 126 126 HIS HB2 H 1 3.248 0.001 . 2 . . . . . 401 HIS HB2 . 51683 1 1007 . 1 . 1 126 126 HIS HB3 H 1 3.202 0.005 . 2 . . . . . 401 HIS HB3 . 51683 1 1008 . 1 . 1 126 126 HIS C C 13 178.688 0.000 . 1 . . . . . 401 HIS C . 51683 1 1009 . 1 . 1 126 126 HIS CA C 13 61.229 0.112 . 1 . . . . . 401 HIS CA . 51683 1 1010 . 1 . 1 126 126 HIS CB C 13 30.368 0.134 . 1 . . . . . 401 HIS CB . 51683 1 1011 . 1 . 1 126 126 HIS N N 15 118.888 0.057 . 1 . . . . . 401 HIS N . 51683 1 1012 . 1 . 1 127 127 ASP H H 1 8.145 0.004 . 1 . . . . . 402 ASP H . 51683 1 1013 . 1 . 1 127 127 ASP HA H 1 4.486 0.005 . 1 . . . . . 402 ASP HA . 51683 1 1014 . 1 . 1 127 127 ASP HB2 H 1 2.880 0.025 . 2 . . . . . 402 ASP HB2 . 51683 1 1015 . 1 . 1 127 127 ASP HB3 H 1 2.780 0.002 . 2 . . . . . 402 ASP HB3 . 51683 1 1016 . 1 . 1 127 127 ASP C C 13 178.625 0.000 . 1 . . . . . 402 ASP C . 51683 1 1017 . 1 . 1 127 127 ASP CA C 13 57.689 0.106 . 1 . . . . . 402 ASP CA . 51683 1 1018 . 1 . 1 127 127 ASP CB C 13 40.056 0.206 . 1 . . . . . 402 ASP CB . 51683 1 1019 . 1 . 1 127 127 ASP N N 15 120.761 0.032 . 1 . . . . . 402 ASP N . 51683 1 1020 . 1 . 1 128 128 ASN H H 1 8.318 0.003 . 1 . . . . . 403 ASN H . 51683 1 1021 . 1 . 1 128 128 ASN HA H 1 4.541 0.009 . 1 . . . . . 403 ASN HA . 51683 1 1022 . 1 . 1 128 128 ASN C C 13 178.757 0.027 . 1 . . . . . 403 ASN C . 51683 1 1023 . 1 . 1 128 128 ASN CA C 13 55.904 0.138 . 1 . . . . . 403 ASN CA . 51683 1 1024 . 1 . 1 128 128 ASN CB C 13 37.674 0.102 . 1 . . . . . 403 ASN CB . 51683 1 1025 . 1 . 1 128 128 ASN N N 15 119.938 0.030 . 1 . . . . . 403 ASN N . 51683 1 1026 . 1 . 1 129 129 ILE H H 1 8.465 0.007 . 1 . . . . . 404 ILE H . 51683 1 1027 . 1 . 1 129 129 ILE HA H 1 3.755 0.007 . 1 . . . . . 404 ILE HA . 51683 1 1028 . 1 . 1 129 129 ILE HB H 1 2.190 0.006 . 1 . . . . . 404 ILE HB . 51683 1 1029 . 1 . 1 129 129 ILE HG12 H 1 1.042 0.008 . 1 . . . . . 404 ILE HG12 . 51683 1 1030 . 1 . 1 129 129 ILE HG21 H 1 0.805 0.009 . 1 . . . . . 404 ILE HG21 . 51683 1 1031 . 1 . 1 129 129 ILE HG22 H 1 0.805 0.009 . 1 . . . . . 404 ILE HG22 . 51683 1 1032 . 1 . 1 129 129 ILE HG23 H 1 0.805 0.009 . 1 . . . . . 404 ILE HG23 . 51683 1 1033 . 1 . 1 129 129 ILE HD11 H 1 0.473 0.000 . 1 . . . . . 404 ILE HD11 . 51683 1 1034 . 1 . 1 129 129 ILE HD12 H 1 0.473 0.000 . 1 . . . . . 404 ILE HD12 . 51683 1 1035 . 1 . 1 129 129 ILE HD13 H 1 0.473 0.000 . 1 . . . . . 404 ILE HD13 . 51683 1 1036 . 1 . 1 129 129 ILE C C 13 177.283 0.000 . 1 . . . . . 404 ILE C . 51683 1 1037 . 1 . 1 129 129 ILE CA C 13 60.940 0.079 . 1 . . . . . 404 ILE CA . 51683 1 1038 . 1 . 1 129 129 ILE CB C 13 34.936 0.116 . 1 . . . . . 404 ILE CB . 51683 1 1039 . 1 . 1 129 129 ILE CG1 C 13 27.723 0.150 . 1 . . . . . 404 ILE CG1 . 51683 1 1040 . 1 . 1 129 129 ILE CG2 C 13 18.065 0.102 . 1 . . . . . 404 ILE CG2 . 51683 1 1041 . 1 . 1 129 129 ILE CD1 C 13 8.978 0.054 . 1 . . . . . 404 ILE CD1 . 51683 1 1042 . 1 . 1 129 129 ILE N N 15 119.139 0.019 . 1 . . . . . 404 ILE N . 51683 1 1043 . 1 . 1 130 130 ALA H H 1 8.693 0.004 . 1 . . . . . 405 ALA H . 51683 1 1044 . 1 . 1 130 130 ALA HA H 1 4.104 0.013 . 1 . . . . . 405 ALA HA . 51683 1 1045 . 1 . 1 130 130 ALA HB1 H 1 1.588 0.006 . 1 . . . . . 405 ALA HB1 . 51683 1 1046 . 1 . 1 130 130 ALA HB2 H 1 1.588 0.006 . 1 . . . . . 405 ALA HB2 . 51683 1 1047 . 1 . 1 130 130 ALA HB3 H 1 1.588 0.006 . 1 . . . . . 405 ALA HB3 . 51683 1 1048 . 1 . 1 130 130 ALA C C 13 181.292 0.000 . 1 . . . . . 405 ALA C . 51683 1 1049 . 1 . 1 130 130 ALA CA C 13 55.956 0.115 . 1 . . . . . 405 ALA CA . 51683 1 1050 . 1 . 1 130 130 ALA CB C 13 17.477 0.000 . 1 . . . . . 405 ALA CB . 51683 1 1051 . 1 . 1 130 130 ALA N N 15 125.045 0.058 . 1 . . . . . 405 ALA N . 51683 1 1052 . 1 . 1 131 131 HIS H H 1 7.972 0.002 . 1 . . . . . 406 HIS H . 51683 1 1053 . 1 . 1 131 131 HIS HA H 1 4.545 0.009 . 1 . . . . . 406 HIS HA . 51683 1 1054 . 1 . 1 131 131 HIS HB2 H 1 3.327 0.001 . 1 . . . . . 406 HIS HB2 . 51683 1 1055 . 1 . 1 131 131 HIS C C 13 177.628 0.001 . 1 . . . . . 406 HIS C . 51683 1 1056 . 1 . 1 131 131 HIS CA C 13 59.565 0.114 . 1 . . . . . 406 HIS CA . 51683 1 1057 . 1 . 1 131 131 HIS CB C 13 30.113 0.138 . 1 . . . . . 406 HIS CB . 51683 1 1058 . 1 . 1 131 131 HIS N N 15 118.853 0.032 . 1 . . . . . 406 HIS N . 51683 1 1059 . 1 . 1 132 132 MET H H 1 7.623 0.003 . 1 . . . . . 407 MET H . 51683 1 1060 . 1 . 1 132 132 MET HA H 1 4.467 0.003 . 1 . . . . . 407 MET HA . 51683 1 1061 . 1 . 1 132 132 MET HG2 H 1 2.625 0.000 . 2 . . . . . 407 MET HG2 . 51683 1 1062 . 1 . 1 132 132 MET HG3 H 1 2.739 0.000 . 2 . . . . . 407 MET HG3 . 51683 1 1063 . 1 . 1 132 132 MET HE1 H 1 1.660 0.006 . 1 . . . . . 407 MET HE1 . 51683 1 1064 . 1 . 1 132 132 MET HE2 H 1 1.660 0.006 . 1 . . . . . 407 MET HE2 . 51683 1 1065 . 1 . 1 132 132 MET HE3 H 1 1.660 0.006 . 1 . . . . . 407 MET HE3 . 51683 1 1066 . 1 . 1 132 132 MET C C 13 179.364 0.003 . 1 . . . . . 407 MET C . 51683 1 1067 . 1 . 1 132 132 MET CA C 13 56.668 0.130 . 1 . . . . . 407 MET CA . 51683 1 1068 . 1 . 1 132 132 MET CB C 13 33.158 0.096 . 1 . . . . . 407 MET CB . 51683 1 1069 . 1 . 1 132 132 MET CG C 13 32.548 0.135 . 1 . . . . . 407 MET CG . 51683 1 1070 . 1 . 1 132 132 MET CE C 13 18.148 0.000 . 1 . . . . . 407 MET CE . 51683 1 1071 . 1 . 1 132 132 MET N N 15 115.764 0.022 . 1 . . . . . 407 MET N . 51683 1 1072 . 1 . 1 133 133 LYS H H 1 9.219 0.004 . 1 . . . . . 408 LYS H . 51683 1 1073 . 1 . 1 133 133 LYS HA H 1 4.419 0.005 . 1 . . . . . 408 LYS HA . 51683 1 1074 . 1 . 1 133 133 LYS HB2 H 1 2.060 0.000 . 1 . . . . . 408 LYS HB2 . 51683 1 1075 . 1 . 1 133 133 LYS HG2 H 1 1.474 0.005 . 1 . . . . . 408 LYS HG2 . 51683 1 1076 . 1 . 1 133 133 LYS HD2 H 1 1.758 0.000 . 2 . . . . . 408 LYS HD2 . 51683 1 1077 . 1 . 1 133 133 LYS HD3 H 1 1.714 0.020 . 2 . . . . . 408 LYS HD3 . 51683 1 1078 . 1 . 1 133 133 LYS HE2 H 1 3.052 0.008 . 1 . . . . . 408 LYS HE2 . 51683 1 1079 . 1 . 1 133 133 LYS C C 13 181.211 0.004 . 1 . . . . . 408 LYS C . 51683 1 1080 . 1 . 1 133 133 LYS CA C 13 59.716 0.111 . 1 . . . . . 408 LYS CA . 51683 1 1081 . 1 . 1 133 133 LYS CB C 13 32.634 0.103 . 1 . . . . . 408 LYS CB . 51683 1 1082 . 1 . 1 133 133 LYS CG C 13 24.989 0.102 . 1 . . . . . 408 LYS CG . 51683 1 1083 . 1 . 1 133 133 LYS CD C 13 30.196 0.086 . 1 . . . . . 408 LYS CD . 51683 1 1084 . 1 . 1 133 133 LYS CE C 13 42.226 0.096 . 1 . . . . . 408 LYS CE . 51683 1 1085 . 1 . 1 133 133 LYS N N 15 122.218 0.028 . 1 . . . . . 408 LYS N . 51683 1 1086 . 1 . 1 134 134 ALA H H 1 8.285 0.003 . 1 . . . . . 409 ALA H . 51683 1 1087 . 1 . 1 134 134 ALA HA H 1 4.297 0.005 . 1 . . . . . 409 ALA HA . 51683 1 1088 . 1 . 1 134 134 ALA HB1 H 1 1.664 0.005 . 1 . . . . . 409 ALA HB1 . 51683 1 1089 . 1 . 1 134 134 ALA HB2 H 1 1.664 0.005 . 1 . . . . . 409 ALA HB2 . 51683 1 1090 . 1 . 1 134 134 ALA HB3 H 1 1.664 0.005 . 1 . . . . . 409 ALA HB3 . 51683 1 1091 . 1 . 1 134 134 ALA C C 13 179.690 0.007 . 1 . . . . . 409 ALA C . 51683 1 1092 . 1 . 1 134 134 ALA CA C 13 55.223 0.144 . 1 . . . . . 409 ALA CA . 51683 1 1093 . 1 . 1 134 134 ALA CB C 13 17.696 0.166 . 1 . . . . . 409 ALA CB . 51683 1 1094 . 1 . 1 134 134 ALA N N 15 124.834 0.043 . 1 . . . . . 409 ALA N . 51683 1 1095 . 1 . 1 135 135 LYS H H 1 7.416 0.004 . 1 . . . . . 410 LYS H . 51683 1 1096 . 1 . 1 135 135 LYS HA H 1 4.386 0.006 . 1 . . . . . 410 LYS HA . 51683 1 1097 . 1 . 1 135 135 LYS HB2 H 1 2.163 0.012 . 1 . . . . . 410 LYS HB2 . 51683 1 1098 . 1 . 1 135 135 LYS HG2 H 1 1.573 0.002 . 2 . . . . . 410 LYS HG2 . 51683 1 1099 . 1 . 1 135 135 LYS HG3 H 1 1.405 0.002 . 2 . . . . . 410 LYS HG3 . 51683 1 1100 . 1 . 1 135 135 LYS HD2 H 1 1.854 0.000 . 2 . . . . . 410 LYS HD2 . 51683 1 1101 . 1 . 1 135 135 LYS HD3 H 1 1.707 0.006 . 2 . . . . . 410 LYS HD3 . 51683 1 1102 . 1 . 1 135 135 LYS HE2 H 1 2.880 0.012 . 1 . . . . . 410 LYS HE2 . 51683 1 1103 . 1 . 1 135 135 LYS C C 13 176.354 0.007 . 1 . . . . . 410 LYS C . 51683 1 1104 . 1 . 1 135 135 LYS CA C 13 54.951 0.097 . 1 . . . . . 410 LYS CA . 51683 1 1105 . 1 . 1 135 135 LYS CB C 13 32.529 0.206 . 1 . . . . . 410 LYS CB . 51683 1 1106 . 1 . 1 135 135 LYS CG C 13 24.433 0.079 . 1 . . . . . 410 LYS CG . 51683 1 1107 . 1 . 1 135 135 LYS CD C 13 28.399 0.094 . 1 . . . . . 410 LYS CD . 51683 1 1108 . 1 . 1 135 135 LYS CE C 13 42.604 0.091 . 1 . . . . . 410 LYS CE . 51683 1 1109 . 1 . 1 135 135 LYS N N 15 114.817 0.025 . 1 . . . . . 410 LYS N . 51683 1 1110 . 1 . 1 136 136 GLY H H 1 8.028 0.006 . 1 . . . . . 411 GLY H . 51683 1 1111 . 1 . 1 136 136 GLY HA2 H 1 4.074 0.001 . 2 . . . . . 411 GLY HA2 . 51683 1 1112 . 1 . 1 136 136 GLY HA3 H 1 4.154 0.000 . 2 . . . . . 411 GLY HA3 . 51683 1 1113 . 1 . 1 136 136 GLY C C 13 173.625 0.002 . 1 . . . . . 411 GLY C . 51683 1 1114 . 1 . 1 136 136 GLY CA C 13 45.978 0.092 . 1 . . . . . 411 GLY CA . 51683 1 1115 . 1 . 1 136 136 GLY N N 15 107.809 0.030 . 1 . . . . . 411 GLY N . 51683 1 1116 . 1 . 1 137 137 ALA H H 1 7.857 0.004 . 1 . . . . . 412 ALA H . 51683 1 1117 . 1 . 1 137 137 ALA HA H 1 4.934 0.012 . 1 . . . . . 412 ALA HA . 51683 1 1118 . 1 . 1 137 137 ALA HB1 H 1 1.331 0.007 . 1 . . . . . 412 ALA HB1 . 51683 1 1119 . 1 . 1 137 137 ALA HB2 H 1 1.331 0.007 . 1 . . . . . 412 ALA HB2 . 51683 1 1120 . 1 . 1 137 137 ALA HB3 H 1 1.331 0.007 . 1 . . . . . 412 ALA HB3 . 51683 1 1121 . 1 . 1 137 137 ALA C C 13 174.007 0.015 . 1 . . . . . 412 ALA C . 51683 1 1122 . 1 . 1 137 137 ALA CA C 13 51.645 0.102 . 1 . . . . . 412 ALA CA . 51683 1 1123 . 1 . 1 137 137 ALA CB C 13 21.830 0.195 . 1 . . . . . 412 ALA CB . 51683 1 1124 . 1 . 1 137 137 ALA N N 15 118.222 0.023 . 1 . . . . . 412 ALA N . 51683 1 1125 . 1 . 1 138 138 ALA H H 1 7.148 0.004 . 1 . . . . . 413 ALA H . 51683 1 1126 . 1 . 1 138 138 ALA HA H 1 5.650 0.008 . 1 . . . . . 413 ALA HA . 51683 1 1127 . 1 . 1 138 138 ALA HB1 H 1 1.077 0.006 . 1 . . . . . 413 ALA HB1 . 51683 1 1128 . 1 . 1 138 138 ALA HB2 H 1 1.077 0.006 . 1 . . . . . 413 ALA HB2 . 51683 1 1129 . 1 . 1 138 138 ALA HB3 H 1 1.077 0.006 . 1 . . . . . 413 ALA HB3 . 51683 1 1130 . 1 . 1 138 138 ALA C C 13 176.000 0.001 . 1 . . . . . 413 ALA C . 51683 1 1131 . 1 . 1 138 138 ALA CA C 13 49.807 0.066 . 1 . . . . . 413 ALA CA . 51683 1 1132 . 1 . 1 138 138 ALA CB C 13 24.710 0.159 . 1 . . . . . 413 ALA CB . 51683 1 1133 . 1 . 1 138 138 ALA N N 15 114.527 0.019 . 1 . . . . . 413 ALA N . 51683 1 1134 . 1 . 1 139 139 LEU H H 1 7.672 0.003 . 1 . . . . . 414 LEU H . 51683 1 1135 . 1 . 1 139 139 LEU HA H 1 4.641 0.007 . 1 . . . . . 414 LEU HA . 51683 1 1136 . 1 . 1 139 139 LEU HB2 H 1 1.620 0.011 . 1 . . . . . 414 LEU HB2 . 51683 1 1137 . 1 . 1 139 139 LEU HG H 1 0.886 0.007 . 1 . . . . . 414 LEU HG . 51683 1 1138 . 1 . 1 139 139 LEU HD11 H 1 1.231 0.005 . 2 . . . . . 414 LEU HD11 . 51683 1 1139 . 1 . 1 139 139 LEU HD12 H 1 1.231 0.005 . 2 . . . . . 414 LEU HD12 . 51683 1 1140 . 1 . 1 139 139 LEU HD13 H 1 1.231 0.005 . 2 . . . . . 414 LEU HD13 . 51683 1 1141 . 1 . 1 139 139 LEU HD21 H 1 1.146 0.008 . 2 . . . . . 414 LEU HD21 . 51683 1 1142 . 1 . 1 139 139 LEU HD22 H 1 1.146 0.008 . 2 . . . . . 414 LEU HD22 . 51683 1 1143 . 1 . 1 139 139 LEU HD23 H 1 1.146 0.008 . 2 . . . . . 414 LEU HD23 . 51683 1 1144 . 1 . 1 139 139 LEU C C 13 175.296 0.002 . 1 . . . . . 414 LEU C . 51683 1 1145 . 1 . 1 139 139 LEU CA C 13 53.758 0.072 . 1 . . . . . 414 LEU CA . 51683 1 1146 . 1 . 1 139 139 LEU CB C 13 46.063 0.136 . 1 . . . . . 414 LEU CB . 51683 1 1147 . 1 . 1 139 139 LEU CG C 13 26.371 0.091 . 1 . . . . . 414 LEU CG . 51683 1 1148 . 1 . 1 139 139 LEU CD1 C 13 22.535 0.149 . 2 . . . . . 414 LEU CD1 . 51683 1 1149 . 1 . 1 139 139 LEU CD2 C 13 24.458 0.000 . 2 . . . . . 414 LEU CD2 . 51683 1 1150 . 1 . 1 139 139 LEU N N 15 117.384 0.015 . 1 . . . . . 414 LEU N . 51683 1 1151 . 1 . 1 140 140 SER H H 1 8.604 0.005 . 1 . . . . . 415 SER H . 51683 1 1152 . 1 . 1 140 140 SER HA H 1 4.323 0.001 . 1 . . . . . 415 SER HA . 51683 1 1153 . 1 . 1 140 140 SER HB2 H 1 3.665 0.007 . 2 . . . . . 415 SER HB2 . 51683 1 1154 . 1 . 1 140 140 SER HB3 H 1 3.485 0.017 . 2 . . . . . 415 SER HB3 . 51683 1 1155 . 1 . 1 140 140 SER HG H 1 5.488 0.004 . 1 . . . . . 415 SER HG . 51683 1 1156 . 1 . 1 140 140 SER C C 13 172.914 0.000 . 1 . . . . . 415 SER C . 51683 1 1157 . 1 . 1 140 140 SER CA C 13 56.902 0.067 . 1 . . . . . 415 SER CA . 51683 1 1158 . 1 . 1 140 140 SER CB C 13 66.882 0.149 . 1 . . . . . 415 SER CB . 51683 1 1159 . 1 . 1 140 140 SER N N 15 113.545 0.038 . 1 . . . . . 415 SER N . 51683 1 1160 . 1 . 1 141 141 VAL H H 1 8.312 0.005 . 1 . . . . . 416 VAL H . 51683 1 1161 . 1 . 1 141 141 VAL HA H 1 4.426 0.004 . 1 . . . . . 416 VAL HA . 51683 1 1162 . 1 . 1 141 141 VAL HB H 1 1.968 0.004 . 1 . . . . . 416 VAL HB . 51683 1 1163 . 1 . 1 141 141 VAL HG11 H 1 0.671 0.022 . 1 . . . . . 416 VAL HG11 . 51683 1 1164 . 1 . 1 141 141 VAL HG12 H 1 0.671 0.022 . 1 . . . . . 416 VAL HG12 . 51683 1 1165 . 1 . 1 141 141 VAL HG13 H 1 0.671 0.022 . 1 . . . . . 416 VAL HG13 . 51683 1 1166 . 1 . 1 141 141 VAL C C 13 173.953 0.007 . 1 . . . . . 416 VAL C . 51683 1 1167 . 1 . 1 141 141 VAL CA C 13 59.939 0.082 . 1 . . . . . 416 VAL CA . 51683 1 1168 . 1 . 1 141 141 VAL CB C 13 35.220 0.199 . 1 . . . . . 416 VAL CB . 51683 1 1169 . 1 . 1 141 141 VAL CG1 C 13 22.340 0.175 . 2 . . . . . 416 VAL CG1 . 51683 1 1170 . 1 . 1 141 141 VAL CG2 C 13 20.926 0.095 . 2 . . . . . 416 VAL CG2 . 51683 1 1171 . 1 . 1 141 141 VAL N N 15 116.207 0.052 . 1 . . . . . 416 VAL N . 51683 1 1172 . 1 . 1 142 142 ASP H H 1 8.586 0.004 . 1 . . . . . 417 ASP H . 51683 1 1173 . 1 . 1 142 142 ASP HA H 1 4.955 0.014 . 1 . . . . . 417 ASP HA . 51683 1 1174 . 1 . 1 142 142 ASP HB2 H 1 2.504 0.013 . 2 . . . . . 417 ASP HB2 . 51683 1 1175 . 1 . 1 142 142 ASP HB3 H 1 3.034 0.011 . 2 . . . . . 417 ASP HB3 . 51683 1 1176 . 1 . 1 142 142 ASP C C 13 176.533 0.005 . 1 . . . . . 417 ASP C . 51683 1 1177 . 1 . 1 142 142 ASP CA C 13 52.145 0.094 . 1 . . . . . 417 ASP CA . 51683 1 1178 . 1 . 1 142 142 ASP CB C 13 41.880 0.140 . 1 . . . . . 417 ASP CB . 51683 1 1179 . 1 . 1 142 142 ASP N N 15 123.127 0.026 . 1 . . . . . 417 ASP N . 51683 1 1180 . 1 . 1 143 143 ILE H H 1 9.181 0.005 . 1 . . . . . 418 ILE H . 51683 1 1181 . 1 . 1 143 143 ILE HA H 1 4.080 0.008 . 1 . . . . . 418 ILE HA . 51683 1 1182 . 1 . 1 143 143 ILE HB H 1 1.816 0.010 . 1 . . . . . 418 ILE HB . 51683 1 1183 . 1 . 1 143 143 ILE HG12 H 1 1.401 0.012 . 2 . . . . . 418 ILE HG12 . 51683 1 1184 . 1 . 1 143 143 ILE HG13 H 1 1.251 0.000 . 2 . . . . . 418 ILE HG13 . 51683 1 1185 . 1 . 1 143 143 ILE HG21 H 1 0.988 0.021 . 1 . . . . . 418 ILE HG21 . 51683 1 1186 . 1 . 1 143 143 ILE HG22 H 1 0.988 0.021 . 1 . . . . . 418 ILE HG22 . 51683 1 1187 . 1 . 1 143 143 ILE HG23 H 1 0.988 0.021 . 1 . . . . . 418 ILE HG23 . 51683 1 1188 . 1 . 1 143 143 ILE C C 13 175.640 0.000 . 1 . . . . . 418 ILE C . 51683 1 1189 . 1 . 1 143 143 ILE CA C 13 63.207 0.134 . 1 . . . . . 418 ILE CA . 51683 1 1190 . 1 . 1 143 143 ILE CB C 13 38.777 0.120 . 1 . . . . . 418 ILE CB . 51683 1 1191 . 1 . 1 143 143 ILE CG1 C 13 29.332 0.064 . 1 . . . . . 418 ILE CG1 . 51683 1 1192 . 1 . 1 143 143 ILE CG2 C 13 17.156 0.128 . 1 . . . . . 418 ILE CG2 . 51683 1 1193 . 1 . 1 143 143 ILE CD1 C 13 14.325 0.144 . 1 . . . . . 418 ILE CD1 . 51683 1 1194 . 1 . 1 143 143 ILE N N 15 127.150 0.030 . 1 . . . . . 418 ILE N . 51683 1 1195 . 1 . 1 144 144 ARG H H 1 8.232 0.004 . 1 . . . . . 419 ARG H . 51683 1 1196 . 1 . 1 144 144 ARG HA H 1 4.185 0.004 . 1 . . . . . 419 ARG HA . 51683 1 1197 . 1 . 1 144 144 ARG HB2 H 1 2.042 0.001 . 1 . . . . . 419 ARG HB2 . 51683 1 1198 . 1 . 1 144 144 ARG HG2 H 1 1.786 0.003 . 1 . . . . . 419 ARG HG2 . 51683 1 1199 . 1 . 1 144 144 ARG HD2 H 1 3.309 0.007 . 1 . . . . . 419 ARG HD2 . 51683 1 1200 . 1 . 1 144 144 ARG C C 13 178.031 0.001 . 1 . . . . . 419 ARG C . 51683 1 1201 . 1 . 1 144 144 ARG CA C 13 58.720 0.110 . 1 . . . . . 419 ARG CA . 51683 1 1202 . 1 . 1 144 144 ARG CB C 13 30.598 0.175 . 1 . . . . . 419 ARG CB . 51683 1 1203 . 1 . 1 144 144 ARG CG C 13 27.511 0.188 . 1 . . . . . 419 ARG CG . 51683 1 1204 . 1 . 1 144 144 ARG CD C 13 43.375 0.105 . 1 . . . . . 419 ARG CD . 51683 1 1205 . 1 . 1 144 144 ARG N N 15 118.850 0.030 . 1 . . . . . 419 ARG N . 51683 1 1206 . 1 . 1 145 145 THR H H 1 7.166 0.006 . 1 . . . . . 420 THR H . 51683 1 1207 . 1 . 1 145 145 THR HA H 1 4.605 0.004 . 1 . . . . . 420 THR HA . 51683 1 1208 . 1 . 1 145 145 THR HB H 1 4.451 0.004 . 1 . . . . . 420 THR HB . 51683 1 1209 . 1 . 1 145 145 THR HG21 H 1 1.109 0.006 . 1 . . . . . 420 THR HG21 . 51683 1 1210 . 1 . 1 145 145 THR HG22 H 1 1.109 0.006 . 1 . . . . . 420 THR HG22 . 51683 1 1211 . 1 . 1 145 145 THR HG23 H 1 1.109 0.006 . 1 . . . . . 420 THR HG23 . 51683 1 1212 . 1 . 1 145 145 THR C C 13 175.278 0.015 . 1 . . . . . 420 THR C . 51683 1 1213 . 1 . 1 145 145 THR CA C 13 60.907 0.086 . 1 . . . . . 420 THR CA . 51683 1 1214 . 1 . 1 145 145 THR CB C 13 70.700 0.156 . 1 . . . . . 420 THR CB . 51683 1 1215 . 1 . 1 145 145 THR CG2 C 13 21.325 0.114 . 1 . . . . . 420 THR CG2 . 51683 1 1216 . 1 . 1 145 145 THR N N 15 104.468 0.032 . 1 . . . . . 420 THR N . 51683 1 1217 . 1 . 1 146 146 MET H H 1 7.955 0.002 . 1 . . . . . 421 MET H . 51683 1 1218 . 1 . 1 146 146 MET HA H 1 4.567 0.003 . 1 . . . . . 421 MET HA . 51683 1 1219 . 1 . 1 146 146 MET HB2 H 1 2.313 0.009 . 1 . . . . . 421 MET HB2 . 51683 1 1220 . 1 . 1 146 146 MET HG2 H 1 2.703 0.000 . 1 . . . . . 421 MET HG2 . 51683 1 1221 . 1 . 1 146 146 MET HE1 H 1 2.205 0.005 . 1 . . . . . 421 MET HE1 . 51683 1 1222 . 1 . 1 146 146 MET HE2 H 1 2.205 0.005 . 1 . . . . . 421 MET HE2 . 51683 1 1223 . 1 . 1 146 146 MET HE3 H 1 2.205 0.005 . 1 . . . . . 421 MET HE3 . 51683 1 1224 . 1 . 1 146 146 MET C C 13 174.535 0.001 . 1 . . . . . 421 MET C . 51683 1 1225 . 1 . 1 146 146 MET CA C 13 57.135 0.128 . 1 . . . . . 421 MET CA . 51683 1 1226 . 1 . 1 146 146 MET CB C 13 33.072 0.155 . 1 . . . . . 421 MET CB . 51683 1 1227 . 1 . 1 146 146 MET CG C 13 31.461 0.130 . 1 . . . . . 421 MET CG . 51683 1 1228 . 1 . 1 146 146 MET CE C 13 18.623 0.000 . 1 . . . . . 421 MET CE . 51683 1 1229 . 1 . 1 146 146 MET N N 15 121.351 0.057 . 1 . . . . . 421 MET N . 51683 1 1230 . 1 . 1 147 147 SER H H 1 8.892 0.002 . 1 . . . . . 422 SER H . 51683 1 1231 . 1 . 1 147 147 SER HA H 1 4.315 0.007 . 1 . . . . . 422 SER HA . 51683 1 1232 . 1 . 1 147 147 SER HB2 H 1 4.021 0.004 . 2 . . . . . 422 SER HB2 . 51683 1 1233 . 1 . 1 147 147 SER HB3 H 1 3.958 0.000 . 2 . . . . . 422 SER HB3 . 51683 1 1234 . 1 . 1 147 147 SER HG H 1 5.067 0.009 . 1 . . . . . 422 SER HG . 51683 1 1235 . 1 . 1 147 147 SER C C 13 176.097 0.006 . 1 . . . . . 422 SER C . 51683 1 1236 . 1 . 1 147 147 SER CA C 13 56.501 0.050 . 1 . . . . . 422 SER CA . 51683 1 1237 . 1 . 1 147 147 SER CB C 13 67.062 0.174 . 1 . . . . . 422 SER CB . 51683 1 1238 . 1 . 1 147 147 SER N N 15 116.655 0.037 . 1 . . . . . 422 SER N . 51683 1 1239 . 1 . 1 148 148 SER H H 1 9.153 0.009 . 1 . . . . . 423 SER H . 51683 1 1240 . 1 . 1 148 148 SER CA C 13 62.891 0.000 . 1 . . . . . 423 SER CA . 51683 1 1241 . 1 . 1 148 148 SER N N 15 116.905 0.042 . 1 . . . . . 423 SER N . 51683 1 1242 . 1 . 1 149 149 ARG HA H 1 3.987 0.003 . 1 . . . . . 424 ARG HA . 51683 1 1243 . 1 . 1 149 149 ARG HB2 H 1 1.892 0.006 . 2 . . . . . 424 ARG HB2 . 51683 1 1244 . 1 . 1 149 149 ARG HB3 H 1 1.803 0.005 . 2 . . . . . 424 ARG HB3 . 51683 1 1245 . 1 . 1 149 149 ARG HG2 H 1 1.675 0.009 . 1 . . . . . 424 ARG HG2 . 51683 1 1246 . 1 . 1 149 149 ARG HD2 H 1 3.240 0.004 . 1 . . . . . 424 ARG HD2 . 51683 1 1247 . 1 . 1 149 149 ARG C C 13 177.503 0.000 . 1 . . . . . 424 ARG C . 51683 1 1248 . 1 . 1 149 149 ARG CA C 13 59.038 0.091 . 1 . . . . . 424 ARG CA . 51683 1 1249 . 1 . 1 149 149 ARG CB C 13 29.983 0.075 . 1 . . . . . 424 ARG CB . 51683 1 1250 . 1 . 1 149 149 ARG CG C 13 26.963 0.157 . 1 . . . . . 424 ARG CG . 51683 1 1251 . 1 . 1 149 149 ARG CD C 13 43.379 0.085 . 1 . . . . . 424 ARG CD . 51683 1 1252 . 1 . 1 150 150 ASP H H 1 7.641 0.004 . 1 . . . . . 425 ASP H . 51683 1 1253 . 1 . 1 150 150 ASP HA H 1 4.452 0.006 . 1 . . . . . 425 ASP HA . 51683 1 1254 . 1 . 1 150 150 ASP HB2 H 1 2.764 0.010 . 2 . . . . . 425 ASP HB2 . 51683 1 1255 . 1 . 1 150 150 ASP HB3 H 1 2.946 0.004 . 2 . . . . . 425 ASP HB3 . 51683 1 1256 . 1 . 1 150 150 ASP C C 13 179.500 0.008 . 1 . . . . . 425 ASP C . 51683 1 1257 . 1 . 1 150 150 ASP CA C 13 57.768 0.108 . 1 . . . . . 425 ASP CA . 51683 1 1258 . 1 . 1 150 150 ASP CB C 13 41.301 0.130 . 1 . . . . . 425 ASP CB . 51683 1 1259 . 1 . 1 150 150 ASP N N 15 118.359 0.044 . 1 . . . . . 425 ASP N . 51683 1 1260 . 1 . 1 151 151 LEU H H 1 7.270 0.004 . 1 . . . . . 426 LEU H . 51683 1 1261 . 1 . 1 151 151 LEU HA H 1 4.053 0.004 . 1 . . . . . 426 LEU HA . 51683 1 1262 . 1 . 1 151 151 LEU HB2 H 1 1.581 0.000 . 2 . . . . . 426 LEU HB2 . 51683 1 1263 . 1 . 1 151 151 LEU HB3 H 1 1.718 0.006 . 2 . . . . . 426 LEU HB3 . 51683 1 1264 . 1 . 1 151 151 LEU HG H 1 1.429 0.003 . 1 . . . . . 426 LEU HG . 51683 1 1265 . 1 . 1 151 151 LEU HD11 H 1 0.725 0.015 . 1 . . . . . 426 LEU HD11 . 51683 1 1266 . 1 . 1 151 151 LEU HD12 H 1 0.725 0.015 . 1 . . . . . 426 LEU HD12 . 51683 1 1267 . 1 . 1 151 151 LEU HD13 H 1 0.725 0.015 . 1 . . . . . 426 LEU HD13 . 51683 1 1268 . 1 . 1 151 151 LEU C C 13 176.871 0.005 . 1 . . . . . 426 LEU C . 51683 1 1269 . 1 . 1 151 151 LEU CA C 13 57.563 0.045 . 1 . . . . . 426 LEU CA . 51683 1 1270 . 1 . 1 151 151 LEU CB C 13 40.640 0.248 . 1 . . . . . 426 LEU CB . 51683 1 1271 . 1 . 1 151 151 LEU CG C 13 27.406 0.112 . 1 . . . . . 426 LEU CG . 51683 1 1272 . 1 . 1 151 151 LEU CD1 C 13 23.062 0.157 . 2 . . . . . 426 LEU CD1 . 51683 1 1273 . 1 . 1 151 151 LEU CD2 C 13 25.535 0.000 . 2 . . . . . 426 LEU CD2 . 51683 1 1274 . 1 . 1 151 151 LEU N N 15 119.434 0.030 . 1 . . . . . 426 LEU N . 51683 1 1275 . 1 . 1 152 152 LEU H H 1 8.321 0.004 . 1 . . . . . 427 LEU H . 51683 1 1276 . 1 . 1 152 152 LEU HA H 1 3.853 0.004 . 1 . . . . . 427 LEU HA . 51683 1 1277 . 1 . 1 152 152 LEU HB2 H 1 1.918 0.000 . 1 . . . . . 427 LEU HB2 . 51683 1 1278 . 1 . 1 152 152 LEU HG H 1 1.415 0.013 . 1 . . . . . 427 LEU HG . 51683 1 1279 . 1 . 1 152 152 LEU HD11 H 1 0.937 0.000 . 1 . . . . . 427 LEU HD11 . 51683 1 1280 . 1 . 1 152 152 LEU HD12 H 1 0.937 0.000 . 1 . . . . . 427 LEU HD12 . 51683 1 1281 . 1 . 1 152 152 LEU HD13 H 1 0.937 0.000 . 1 . . . . . 427 LEU HD13 . 51683 1 1282 . 1 . 1 152 152 LEU C C 13 177.740 0.000 . 1 . . . . . 427 LEU C . 51683 1 1283 . 1 . 1 152 152 LEU CA C 13 58.517 0.090 . 1 . . . . . 427 LEU CA . 51683 1 1284 . 1 . 1 152 152 LEU CB C 13 42.478 0.084 . 1 . . . . . 427 LEU CB . 51683 1 1285 . 1 . 1 152 152 LEU CG C 13 25.667 0.125 . 1 . . . . . 427 LEU CG . 51683 1 1286 . 1 . 1 152 152 LEU CD1 C 13 23.825 0.097 . 2 . . . . . 427 LEU CD1 . 51683 1 1287 . 1 . 1 152 152 LEU CD2 C 13 26.636 0.000 . 2 . . . . . 427 LEU CD2 . 51683 1 1288 . 1 . 1 152 152 LEU N N 15 119.882 0.061 . 1 . . . . . 427 LEU N . 51683 1 1289 . 1 . 1 153 153 ASN H H 1 8.573 0.003 . 1 . . . . . 428 ASN H . 51683 1 1290 . 1 . 1 153 153 ASN HA H 1 4.411 0.006 . 1 . . . . . 428 ASN HA . 51683 1 1291 . 1 . 1 153 153 ASN HB2 H 1 2.876 0.013 . 1 . . . . . 428 ASN HB2 . 51683 1 1292 . 1 . 1 153 153 ASN C C 13 178.153 0.006 . 1 . . . . . 428 ASN C . 51683 1 1293 . 1 . 1 153 153 ASN CA C 13 55.986 0.225 . 1 . . . . . 428 ASN CA . 51683 1 1294 . 1 . 1 153 153 ASN CB C 13 37.505 0.085 . 1 . . . . . 428 ASN CB . 51683 1 1295 . 1 . 1 153 153 ASN N N 15 115.700 0.021 . 1 . . . . . 428 ASN N . 51683 1 1296 . 1 . 1 154 154 ALA H H 1 7.435 0.002 . 1 . . . . . 429 ALA H . 51683 1 1297 . 1 . 1 154 154 ALA HA H 1 4.072 0.004 . 1 . . . . . 429 ALA HA . 51683 1 1298 . 1 . 1 154 154 ALA HB1 H 1 1.303 0.007 . 1 . . . . . 429 ALA HB1 . 51683 1 1299 . 1 . 1 154 154 ALA HB2 H 1 1.303 0.007 . 1 . . . . . 429 ALA HB2 . 51683 1 1300 . 1 . 1 154 154 ALA HB3 H 1 1.303 0.007 . 1 . . . . . 429 ALA HB3 . 51683 1 1301 . 1 . 1 154 154 ALA C C 13 178.314 0.001 . 1 . . . . . 429 ALA C . 51683 1 1302 . 1 . 1 154 154 ALA CA C 13 55.022 0.113 . 1 . . . . . 429 ALA CA . 51683 1 1303 . 1 . 1 154 154 ALA CB C 13 17.885 0.174 . 1 . . . . . 429 ALA CB . 51683 1 1304 . 1 . 1 154 154 ALA N N 15 122.490 0.021 . 1 . . . . . 429 ALA N . 51683 1 1305 . 1 . 1 155 155 LEU H H 1 8.199 0.002 . 1 . . . . . 430 LEU H . 51683 1 1306 . 1 . 1 155 155 LEU HA H 1 3.701 0.011 . 1 . . . . . 430 LEU HA . 51683 1 1307 . 1 . 1 155 155 LEU HB2 H 1 1.409 0.002 . 1 . . . . . 430 LEU HB2 . 51683 1 1308 . 1 . 1 155 155 LEU HG H 1 1.690 0.004 . 1 . . . . . 430 LEU HG . 51683 1 1309 . 1 . 1 155 155 LEU HD11 H 1 0.619 0.003 . 1 . . . . . 430 LEU HD11 . 51683 1 1310 . 1 . 1 155 155 LEU HD12 H 1 0.619 0.003 . 1 . . . . . 430 LEU HD12 . 51683 1 1311 . 1 . 1 155 155 LEU HD13 H 1 0.619 0.003 . 1 . . . . . 430 LEU HD13 . 51683 1 1312 . 1 . 1 155 155 LEU C C 13 177.773 0.000 . 1 . . . . . 430 LEU C . 51683 1 1313 . 1 . 1 155 155 LEU CA C 13 57.573 0.066 . 1 . . . . . 430 LEU CA . 51683 1 1314 . 1 . 1 155 155 LEU CB C 13 42.411 0.126 . 1 . . . . . 430 LEU CB . 51683 1 1315 . 1 . 1 155 155 LEU CG C 13 26.978 0.221 . 1 . . . . . 430 LEU CG . 51683 1 1316 . 1 . 1 155 155 LEU CD1 C 13 24.771 0.103 . 2 . . . . . 430 LEU CD1 . 51683 1 1317 . 1 . 1 155 155 LEU CD2 C 13 23.936 0.092 . 2 . . . . . 430 LEU CD2 . 51683 1 1318 . 1 . 1 155 155 LEU N N 15 116.910 0.021 . 1 . . . . . 430 LEU N . 51683 1 1319 . 1 . 1 156 156 LYS H H 1 8.620 0.004 . 1 . . . . . 431 LYS H . 51683 1 1320 . 1 . 1 156 156 LYS HA H 1 3.760 0.015 . 1 . . . . . 431 LYS HA . 51683 1 1321 . 1 . 1 156 156 LYS HB2 H 1 1.901 0.006 . 1 . . . . . 431 LYS HB2 . 51683 1 1322 . 1 . 1 156 156 LYS HG2 H 1 1.487 0.000 . 1 . . . . . 431 LYS HG2 . 51683 1 1323 . 1 . 1 156 156 LYS HD2 H 1 1.736 0.000 . 1 . . . . . 431 LYS HD2 . 51683 1 1324 . 1 . 1 156 156 LYS HE2 H 1 2.968 0.007 . 1 . . . . . 431 LYS HE2 . 51683 1 1325 . 1 . 1 156 156 LYS C C 13 179.838 0.010 . 1 . . . . . 431 LYS C . 51683 1 1326 . 1 . 1 156 156 LYS CA C 13 60.751 0.121 . 1 . . . . . 431 LYS CA . 51683 1 1327 . 1 . 1 156 156 LYS CB C 13 32.124 0.156 . 1 . . . . . 431 LYS CB . 51683 1 1328 . 1 . 1 156 156 LYS CG C 13 26.138 0.123 . 1 . . . . . 431 LYS CG . 51683 1 1329 . 1 . 1 156 156 LYS CD C 13 29.895 0.126 . 1 . . . . . 431 LYS CD . 51683 1 1330 . 1 . 1 156 156 LYS CE C 13 41.992 0.137 . 1 . . . . . 431 LYS CE . 51683 1 1331 . 1 . 1 156 156 LYS N N 15 115.870 0.030 . 1 . . . . . 431 LYS N . 51683 1 1332 . 1 . 1 157 157 SER H H 1 7.703 0.004 . 1 . . . . . 432 SER H . 51683 1 1333 . 1 . 1 157 157 SER HA H 1 4.369 0.000 . 1 . . . . . 432 SER HA . 51683 1 1334 . 1 . 1 157 157 SER HB2 H 1 3.951 0.003 . 1 . . . . . 432 SER HB2 . 51683 1 1335 . 1 . 1 157 157 SER C C 13 174.476 0.000 . 1 . . . . . 432 SER C . 51683 1 1336 . 1 . 1 157 157 SER CA C 13 63.365 0.086 . 1 . . . . . 432 SER CA . 51683 1 1337 . 1 . 1 157 157 SER CB C 13 64.957 0.000 . 1 . . . . . 432 SER CB . 51683 1 1338 . 1 . 1 157 157 SER N N 15 115.014 0.058 . 1 . . . . . 432 SER N . 51683 1 1339 . 1 . 1 158 158 VAL H H 1 7.620 0.004 . 1 . . . . . 433 VAL H . 51683 1 1340 . 1 . 1 158 158 VAL HA H 1 3.762 0.003 . 1 . . . . . 433 VAL HA . 51683 1 1341 . 1 . 1 158 158 VAL HB H 1 1.740 0.008 . 1 . . . . . 433 VAL HB . 51683 1 1342 . 1 . 1 158 158 VAL HG11 H 1 0.551 0.011 . 2 . . . . . 433 VAL HG11 . 51683 1 1343 . 1 . 1 158 158 VAL HG12 H 1 0.551 0.011 . 2 . . . . . 433 VAL HG12 . 51683 1 1344 . 1 . 1 158 158 VAL HG13 H 1 0.551 0.011 . 2 . . . . . 433 VAL HG13 . 51683 1 1345 . 1 . 1 158 158 VAL HG21 H 1 0.476 0.000 . 2 . . . . . 433 VAL HG21 . 51683 1 1346 . 1 . 1 158 158 VAL HG22 H 1 0.476 0.000 . 2 . . . . . 433 VAL HG22 . 51683 1 1347 . 1 . 1 158 158 VAL HG23 H 1 0.476 0.000 . 2 . . . . . 433 VAL HG23 . 51683 1 1348 . 1 . 1 158 158 VAL C C 13 176.539 0.002 . 1 . . . . . 433 VAL C . 51683 1 1349 . 1 . 1 158 158 VAL CA C 13 65.440 0.093 . 1 . . . . . 433 VAL CA . 51683 1 1350 . 1 . 1 158 158 VAL CB C 13 31.153 0.159 . 1 . . . . . 433 VAL CB . 51683 1 1351 . 1 . 1 158 158 VAL CG1 C 13 20.701 0.127 . 2 . . . . . 433 VAL CG1 . 51683 1 1352 . 1 . 1 158 158 VAL CG2 C 13 21.674 0.236 . 2 . . . . . 433 VAL CG2 . 51683 1 1353 . 1 . 1 158 158 VAL N N 15 115.754 0.022 . 1 . . . . . 433 VAL N . 51683 1 1354 . 1 . 1 159 159 ILE H H 1 7.765 0.004 . 1 . . . . . 434 ILE H . 51683 1 1355 . 1 . 1 159 159 ILE HA H 1 3.729 0.002 . 1 . . . . . 434 ILE HA . 51683 1 1356 . 1 . 1 159 159 ILE HB H 1 1.561 0.009 . 1 . . . . . 434 ILE HB . 51683 1 1357 . 1 . 1 159 159 ILE HG21 H 1 0.750 0.009 . 1 . . . . . 434 ILE HG21 . 51683 1 1358 . 1 . 1 159 159 ILE HG22 H 1 0.750 0.009 . 1 . . . . . 434 ILE HG22 . 51683 1 1359 . 1 . 1 159 159 ILE HG23 H 1 0.750 0.009 . 1 . . . . . 434 ILE HG23 . 51683 1 1360 . 1 . 1 159 159 ILE HD11 H 1 0.534 0.002 . 1 . . . . . 434 ILE HD11 . 51683 1 1361 . 1 . 1 159 159 ILE HD12 H 1 0.534 0.002 . 1 . . . . . 434 ILE HD12 . 51683 1 1362 . 1 . 1 159 159 ILE HD13 H 1 0.534 0.002 . 1 . . . . . 434 ILE HD13 . 51683 1 1363 . 1 . 1 159 159 ILE C C 13 177.742 0.003 . 1 . . . . . 434 ILE C . 51683 1 1364 . 1 . 1 159 159 ILE CA C 13 65.064 0.111 . 1 . . . . . 434 ILE CA . 51683 1 1365 . 1 . 1 159 159 ILE CB C 13 39.264 0.148 . 1 . . . . . 434 ILE CB . 51683 1 1366 . 1 . 1 159 159 ILE CG1 C 13 30.593 0.204 . 1 . . . . . 434 ILE CG1 . 51683 1 1367 . 1 . 1 159 159 ILE CG2 C 13 17.218 0.123 . 1 . . . . . 434 ILE CG2 . 51683 1 1368 . 1 . 1 159 159 ILE CD1 C 13 14.375 0.121 . 1 . . . . . 434 ILE CD1 . 51683 1 1369 . 1 . 1 159 159 ILE N N 15 116.105 0.026 . 1 . . . . . 434 ILE N . 51683 1 1370 . 1 . 1 160 160 ASN H H 1 8.011 0.003 . 1 . . . . . 435 ASN H . 51683 1 1371 . 1 . 1 160 160 ASN HA H 1 4.745 0.009 . 1 . . . . . 435 ASN HA . 51683 1 1372 . 1 . 1 160 160 ASN HB2 H 1 2.826 0.000 . 2 . . . . . 435 ASN HB2 . 51683 1 1373 . 1 . 1 160 160 ASN HB3 H 1 3.028 0.013 . 2 . . . . . 435 ASN HB3 . 51683 1 1374 . 1 . 1 160 160 ASN C C 13 175.490 0.009 . 1 . . . . . 435 ASN C . 51683 1 1375 . 1 . 1 160 160 ASN CA C 13 55.496 0.108 . 1 . . . . . 435 ASN CA . 51683 1 1376 . 1 . 1 160 160 ASN CB C 13 40.063 0.105 . 1 . . . . . 435 ASN CB . 51683 1 1377 . 1 . 1 160 160 ASN N N 15 114.116 0.015 . 1 . . . . . 435 ASN N . 51683 1 1378 . 1 . 1 161 161 ASP H H 1 8.693 0.004 . 1 . . . . . 436 ASP H . 51683 1 1379 . 1 . 1 161 161 ASP C C 13 176.252 0.000 . 1 . . . . . 436 ASP C . 51683 1 1380 . 1 . 1 161 161 ASP CA C 13 51.595 0.000 . 1 . . . . . 436 ASP CA . 51683 1 1381 . 1 . 1 161 161 ASP CB C 13 41.292 0.000 . 1 . . . . . 436 ASP CB . 51683 1 1382 . 1 . 1 161 161 ASP N N 15 124.069 0.018 . 1 . . . . . 436 ASP N . 51683 1 1383 . 1 . 1 162 162 PRO HA H 1 4.440 0.004 . 1 . . . . . 437 PRO HA . 51683 1 1384 . 1 . 1 162 162 PRO HB2 H 1 2.495 0.005 . 1 . . . . . 437 PRO HB2 . 51683 1 1385 . 1 . 1 162 162 PRO HG2 H 1 2.163 0.007 . 2 . . . . . 437 PRO HG2 . 51683 1 1386 . 1 . 1 162 162 PRO HG3 H 1 2.102 0.000 . 2 . . . . . 437 PRO HG3 . 51683 1 1387 . 1 . 1 162 162 PRO HD2 H 1 4.178 0.000 . 2 . . . . . 437 PRO HD2 . 51683 1 1388 . 1 . 1 162 162 PRO HD3 H 1 3.040 0.000 . 2 . . . . . 437 PRO HD3 . 51683 1 1389 . 1 . 1 162 162 PRO C C 13 176.896 0.000 . 1 . . . . . 437 PRO C . 51683 1 1390 . 1 . 1 162 162 PRO CA C 13 64.483 0.092 . 1 . . . . . 437 PRO CA . 51683 1 1391 . 1 . 1 162 162 PRO CB C 13 32.933 0.082 . 1 . . . . . 437 PRO CB . 51683 1 1392 . 1 . 1 162 162 PRO CG C 13 27.009 0.157 . 1 . . . . . 437 PRO CG . 51683 1 1393 . 1 . 1 162 162 PRO CD C 13 51.953 0.083 . 1 . . . . . 437 PRO CD . 51683 1 1394 . 1 . 1 163 163 ILE H H 1 7.892 0.005 . 1 . . . . . 438 ILE H . 51683 1 1395 . 1 . 1 163 163 ILE HA H 1 4.022 0.023 . 1 . . . . . 438 ILE HA . 51683 1 1396 . 1 . 1 163 163 ILE HB H 1 1.672 0.008 . 1 . . . . . 438 ILE HB . 51683 1 1397 . 1 . 1 163 163 ILE HG12 H 1 1.095 0.005 . 1 . . . . . 438 ILE HG12 . 51683 1 1398 . 1 . 1 163 163 ILE HG21 H 1 0.739 0.007 . 1 . . . . . 438 ILE HG21 . 51683 1 1399 . 1 . 1 163 163 ILE HG22 H 1 0.739 0.007 . 1 . . . . . 438 ILE HG22 . 51683 1 1400 . 1 . 1 163 163 ILE HG23 H 1 0.739 0.007 . 1 . . . . . 438 ILE HG23 . 51683 1 1401 . 1 . 1 163 163 ILE HD11 H 1 0.399 0.005 . 1 . . . . . 438 ILE HD11 . 51683 1 1402 . 1 . 1 163 163 ILE HD12 H 1 0.399 0.005 . 1 . . . . . 438 ILE HD12 . 51683 1 1403 . 1 . 1 163 163 ILE HD13 H 1 0.399 0.005 . 1 . . . . . 438 ILE HD13 . 51683 1 1404 . 1 . 1 163 163 ILE C C 13 176.355 0.002 . 1 . . . . . 438 ILE C . 51683 1 1405 . 1 . 1 163 163 ILE CA C 13 63.378 0.181 . 1 . . . . . 438 ILE CA . 51683 1 1406 . 1 . 1 163 163 ILE CB C 13 37.975 0.126 . 1 . . . . . 438 ILE CB . 51683 1 1407 . 1 . 1 163 163 ILE CG1 C 13 28.032 0.189 . 1 . . . . . 438 ILE CG1 . 51683 1 1408 . 1 . 1 163 163 ILE CG2 C 13 17.837 0.219 . 1 . . . . . 438 ILE CG2 . 51683 1 1409 . 1 . 1 163 163 ILE CD1 C 13 14.017 0.137 . 1 . . . . . 438 ILE CD1 . 51683 1 1410 . 1 . 1 163 163 ILE N N 15 118.214 0.021 . 1 . . . . . 438 ILE N . 51683 1 1411 . 1 . 1 164 164 TYR H H 1 6.735 0.005 . 1 . . . . . 439 TYR H . 51683 1 1412 . 1 . 1 164 164 TYR HA H 1 4.734 0.005 . 1 . . . . . 439 TYR HA . 51683 1 1413 . 1 . 1 164 164 TYR HB2 H 1 3.179 0.011 . 1 . . . . . 439 TYR HB2 . 51683 1 1414 . 1 . 1 164 164 TYR C C 13 178.234 0.006 . 1 . . . . . 439 TYR C . 51683 1 1415 . 1 . 1 164 164 TYR CA C 13 61.991 0.114 . 1 . . . . . 439 TYR CA . 51683 1 1416 . 1 . 1 164 164 TYR CB C 13 37.653 0.147 . 1 . . . . . 439 TYR CB . 51683 1 1417 . 1 . 1 164 164 TYR N N 15 120.095 0.021 . 1 . . . . . 439 TYR N . 51683 1 1418 . 1 . 1 165 165 LYS H H 1 8.175 0.003 . 1 . . . . . 440 LYS H . 51683 1 1419 . 1 . 1 165 165 LYS HA H 1 4.134 0.006 . 1 . . . . . 440 LYS HA . 51683 1 1420 . 1 . 1 165 165 LYS HB2 H 1 1.630 0.018 . 1 . . . . . 440 LYS HB2 . 51683 1 1421 . 1 . 1 165 165 LYS C C 13 177.909 0.005 . 1 . . . . . 440 LYS C . 51683 1 1422 . 1 . 1 165 165 LYS CA C 13 58.385 0.158 . 1 . . . . . 440 LYS CA . 51683 1 1423 . 1 . 1 165 165 LYS CB C 13 32.746 0.138 . 1 . . . . . 440 LYS CB . 51683 1 1424 . 1 . 1 165 165 LYS CG C 13 25.002 0.087 . 1 . . . . . 440 LYS CG . 51683 1 1425 . 1 . 1 165 165 LYS CD C 13 29.219 0.210 . 1 . . . . . 440 LYS CD . 51683 1 1426 . 1 . 1 165 165 LYS N N 15 120.958 0.025 . 1 . . . . . 440 LYS N . 51683 1 1427 . 1 . 1 166 166 GLU H H 1 8.271 0.003 . 1 . . . . . 441 GLU H . 51683 1 1428 . 1 . 1 166 166 GLU HA H 1 3.982 0.005 . 1 . . . . . 441 GLU HA . 51683 1 1429 . 1 . 1 166 166 GLU HB2 H 1 2.202 0.001 . 2 . . . . . 441 GLU HB2 . 51683 1 1430 . 1 . 1 166 166 GLU HB3 H 1 2.112 0.001 . 2 . . . . . 441 GLU HB3 . 51683 1 1431 . 1 . 1 166 166 GLU HG2 H 1 2.399 0.001 . 1 . . . . . 441 GLU HG2 . 51683 1 1432 . 1 . 1 166 166 GLU C C 13 179.888 0.000 . 1 . . . . . 441 GLU C . 51683 1 1433 . 1 . 1 166 166 GLU CA C 13 59.962 0.103 . 1 . . . . . 441 GLU CA . 51683 1 1434 . 1 . 1 166 166 GLU CB C 13 29.457 0.084 . 1 . . . . . 441 GLU CB . 51683 1 1435 . 1 . 1 166 166 GLU CG C 13 36.539 0.099 . 1 . . . . . 441 GLU CG . 51683 1 1436 . 1 . 1 166 166 GLU N N 15 118.437 0.045 . 1 . . . . . 441 GLU N . 51683 1 1437 . 1 . 1 167 167 ASN H H 1 8.685 0.002 . 1 . . . . . 442 ASN H . 51683 1 1438 . 1 . 1 167 167 ASN HA H 1 4.628 0.001 . 1 . . . . . 442 ASN HA . 51683 1 1439 . 1 . 1 167 167 ASN C C 13 179.537 0.003 . 1 . . . . . 442 ASN C . 51683 1 1440 . 1 . 1 167 167 ASN CA C 13 55.906 0.110 . 1 . . . . . 442 ASN CA . 51683 1 1441 . 1 . 1 167 167 ASN CB C 13 37.539 0.164 . 1 . . . . . 442 ASN CB . 51683 1 1442 . 1 . 1 167 167 ASN N N 15 117.473 0.019 . 1 . . . . . 442 ASN N . 51683 1 1443 . 1 . 1 168 168 ILE H H 1 8.660 0.003 . 1 . . . . . 443 ILE H . 51683 1 1444 . 1 . 1 168 168 ILE HA H 1 4.292 0.009 . 1 . . . . . 443 ILE HA . 51683 1 1445 . 1 . 1 168 168 ILE HB H 1 2.713 0.000 . 1 . . . . . 443 ILE HB . 51683 1 1446 . 1 . 1 168 168 ILE HG12 H 1 1.485 0.009 . 2 . . . . . 443 ILE HG12 . 51683 1 1447 . 1 . 1 168 168 ILE HG13 H 1 1.360 0.000 . 2 . . . . . 443 ILE HG13 . 51683 1 1448 . 1 . 1 168 168 ILE HG21 H 1 1.085 0.006 . 1 . . . . . 443 ILE HG21 . 51683 1 1449 . 1 . 1 168 168 ILE HG22 H 1 1.085 0.006 . 1 . . . . . 443 ILE HG22 . 51683 1 1450 . 1 . 1 168 168 ILE HG23 H 1 1.085 0.006 . 1 . . . . . 443 ILE HG23 . 51683 1 1451 . 1 . 1 168 168 ILE HD11 H 1 0.873 0.012 . 1 . . . . . 443 ILE HD11 . 51683 1 1452 . 1 . 1 168 168 ILE HD12 H 1 0.873 0.012 . 1 . . . . . 443 ILE HD12 . 51683 1 1453 . 1 . 1 168 168 ILE HD13 H 1 0.873 0.012 . 1 . . . . . 443 ILE HD13 . 51683 1 1454 . 1 . 1 168 168 ILE C C 13 177.687 0.001 . 1 . . . . . 443 ILE C . 51683 1 1455 . 1 . 1 168 168 ILE CA C 13 64.422 0.118 . 1 . . . . . 443 ILE CA . 51683 1 1456 . 1 . 1 168 168 ILE CB C 13 37.783 0.192 . 1 . . . . . 443 ILE CB . 51683 1 1457 . 1 . 1 168 168 ILE CG1 C 13 31.434 0.111 . 1 . . . . . 443 ILE CG1 . 51683 1 1458 . 1 . 1 168 168 ILE CG2 C 13 17.844 0.112 . 1 . . . . . 443 ILE CG2 . 51683 1 1459 . 1 . 1 168 168 ILE CD1 C 13 15.717 0.158 . 1 . . . . . 443 ILE CD1 . 51683 1 1460 . 1 . 1 168 168 ILE N N 15 121.940 0.031 . 1 . . . . . 443 ILE N . 51683 1 1461 . 1 . 1 169 169 MET H H 1 8.305 0.005 . 1 . . . . . 444 MET H . 51683 1 1462 . 1 . 1 169 169 MET HA H 1 4.530 0.007 . 1 . . . . . 444 MET HA . 51683 1 1463 . 1 . 1 169 169 MET HB2 H 1 2.376 0.007 . 1 . . . . . 444 MET HB2 . 51683 1 1464 . 1 . 1 169 169 MET HG2 H 1 2.939 0.000 . 2 . . . . . 444 MET HG2 . 51683 1 1465 . 1 . 1 169 169 MET HG3 H 1 2.807 0.000 . 2 . . . . . 444 MET HG3 . 51683 1 1466 . 1 . 1 169 169 MET C C 13 179.445 0.000 . 1 . . . . . 444 MET C . 51683 1 1467 . 1 . 1 169 169 MET CA C 13 57.710 0.117 . 1 . . . . . 444 MET CA . 51683 1 1468 . 1 . 1 169 169 MET CB C 13 30.559 0.092 . 1 . . . . . 444 MET CB . 51683 1 1469 . 1 . 1 169 169 MET CE C 13 17.759 0.000 . 1 . . . . . 444 MET CE . 51683 1 1470 . 1 . 1 169 169 MET N N 15 123.162 0.049 . 1 . . . . . 444 MET N . 51683 1 1471 . 1 . 1 170 170 LYS H H 1 7.673 0.005 . 1 . . . . . 445 LYS H . 51683 1 1472 . 1 . 1 170 170 LYS HA H 1 4.150 0.005 . 1 . . . . . 445 LYS HA . 51683 1 1473 . 1 . 1 170 170 LYS HB2 H 1 2.059 0.004 . 1 . . . . . 445 LYS HB2 . 51683 1 1474 . 1 . 1 170 170 LYS HG2 H 1 1.543 0.005 . 1 . . . . . 445 LYS HG2 . 51683 1 1475 . 1 . 1 170 170 LYS HD2 H 1 1.836 0.000 . 1 . . . . . 445 LYS HD2 . 51683 1 1476 . 1 . 1 170 170 LYS HE2 H 1 3.056 0.009 . 1 . . . . . 445 LYS HE2 . 51683 1 1477 . 1 . 1 170 170 LYS C C 13 178.821 0.010 . 1 . . . . . 445 LYS C . 51683 1 1478 . 1 . 1 170 170 LYS CA C 13 59.659 0.121 . 1 . . . . . 445 LYS CA . 51683 1 1479 . 1 . 1 170 170 LYS CB C 13 32.752 0.129 . 1 . . . . . 445 LYS CB . 51683 1 1480 . 1 . 1 170 170 LYS CG C 13 25.691 0.083 . 1 . . . . . 445 LYS CG . 51683 1 1481 . 1 . 1 170 170 LYS CD C 13 29.923 0.094 . 1 . . . . . 445 LYS CD . 51683 1 1482 . 1 . 1 170 170 LYS CE C 13 42.548 0.107 . 1 . . . . . 445 LYS CE . 51683 1 1483 . 1 . 1 170 170 LYS N N 15 118.859 0.039 . 1 . . . . . 445 LYS N . 51683 1 1484 . 1 . 1 171 171 LEU H H 1 7.381 0.005 . 1 . . . . . 446 LEU H . 51683 1 1485 . 1 . 1 171 171 LEU HA H 1 4.261 0.004 . 1 . . . . . 446 LEU HA . 51683 1 1486 . 1 . 1 171 171 LEU HB2 H 1 2.094 0.008 . 2 . . . . . 446 LEU HB2 . 51683 1 1487 . 1 . 1 171 171 LEU HB3 H 1 2.063 0.010 . 2 . . . . . 446 LEU HB3 . 51683 1 1488 . 1 . 1 171 171 LEU HG H 1 0.936 0.012 . 1 . . . . . 446 LEU HG . 51683 1 1489 . 1 . 1 171 171 LEU HD11 H 1 1.644 0.013 . 1 . . . . . 446 LEU HD11 . 51683 1 1490 . 1 . 1 171 171 LEU HD12 H 1 1.644 0.013 . 1 . . . . . 446 LEU HD12 . 51683 1 1491 . 1 . 1 171 171 LEU HD13 H 1 1.644 0.013 . 1 . . . . . 446 LEU HD13 . 51683 1 1492 . 1 . 1 171 171 LEU C C 13 178.099 0.004 . 1 . . . . . 446 LEU C . 51683 1 1493 . 1 . 1 171 171 LEU CA C 13 56.739 0.105 . 1 . . . . . 446 LEU CA . 51683 1 1494 . 1 . 1 171 171 LEU CB C 13 41.595 0.155 . 1 . . . . . 446 LEU CB . 51683 1 1495 . 1 . 1 171 171 LEU CG C 13 25.888 0.183 . 1 . . . . . 446 LEU CG . 51683 1 1496 . 1 . 1 171 171 LEU CD1 C 13 23.172 0.205 . 1 . . . . . 446 LEU CD1 . 51683 1 1497 . 1 . 1 171 171 LEU N N 15 117.710 0.044 . 1 . . . . . 446 LEU N . 51683 1 1498 . 1 . 1 172 172 SER H H 1 8.057 0.004 . 1 . . . . . 447 SER H . 51683 1 1499 . 1 . 1 172 172 SER HA H 1 4.136 0.005 . 1 . . . . . 447 SER HA . 51683 1 1500 . 1 . 1 172 172 SER C C 13 176.187 0.000 . 1 . . . . . 447 SER C . 51683 1 1501 . 1 . 1 172 172 SER CA C 13 60.329 0.042 . 1 . . . . . 447 SER CA . 51683 1 1502 . 1 . 1 172 172 SER CB C 13 64.312 0.212 . 1 . . . . . 447 SER CB . 51683 1 1503 . 1 . 1 172 172 SER N N 15 113.593 0.017 . 1 . . . . . 447 SER N . 51683 1 1504 . 1 . 1 173 173 ARG H H 1 7.876 0.001 . 1 . . . . . 448 ARG H . 51683 1 1505 . 1 . 1 173 173 ARG HA H 1 4.311 0.004 . 1 . . . . . 448 ARG HA . 51683 1 1506 . 1 . 1 173 173 ARG HB2 H 1 1.917 0.007 . 2 . . . . . 448 ARG HB2 . 51683 1 1507 . 1 . 1 173 173 ARG HB3 H 1 1.992 0.004 . 2 . . . . . 448 ARG HB3 . 51683 1 1508 . 1 . 1 173 173 ARG HG2 H 1 1.809 0.008 . 1 . . . . . 448 ARG HG2 . 51683 1 1509 . 1 . 1 173 173 ARG HD2 H 1 3.237 0.007 . 1 . . . . . 448 ARG HD2 . 51683 1 1510 . 1 . 1 173 173 ARG C C 13 177.109 0.007 . 1 . . . . . 448 ARG C . 51683 1 1511 . 1 . 1 173 173 ARG CA C 13 57.564 0.149 . 1 . . . . . 448 ARG CA . 51683 1 1512 . 1 . 1 173 173 ARG CB C 13 30.357 0.064 . 1 . . . . . 448 ARG CB . 51683 1 1513 . 1 . 1 173 173 ARG CG C 13 27.340 0.193 . 1 . . . . . 448 ARG CG . 51683 1 1514 . 1 . 1 173 173 ARG CD C 13 43.626 0.107 . 1 . . . . . 448 ARG CD . 51683 1 1515 . 1 . 1 173 173 ARG N N 15 119.144 0.025 . 1 . . . . . 448 ARG N . 51683 1 1516 . 1 . 1 174 174 ILE H H 1 7.657 0.005 . 1 . . . . . 449 ILE H . 51683 1 1517 . 1 . 1 174 174 ILE HA H 1 4.223 0.007 . 1 . . . . . 449 ILE HA . 51683 1 1518 . 1 . 1 174 174 ILE HB H 1 1.998 0.004 . 1 . . . . . 449 ILE HB . 51683 1 1519 . 1 . 1 174 174 ILE HG12 H 1 1.277 0.005 . 1 . . . . . 449 ILE HG12 . 51683 1 1520 . 1 . 1 174 174 ILE HG21 H 1 0.920 0.013 . 1 . . . . . 449 ILE HG21 . 51683 1 1521 . 1 . 1 174 174 ILE HG22 H 1 0.920 0.013 . 1 . . . . . 449 ILE HG22 . 51683 1 1522 . 1 . 1 174 174 ILE HG23 H 1 0.920 0.013 . 1 . . . . . 449 ILE HG23 . 51683 1 1523 . 1 . 1 174 174 ILE HD11 H 1 0.966 0.007 . 1 . . . . . 449 ILE HD11 . 51683 1 1524 . 1 . 1 174 174 ILE HD12 H 1 0.966 0.007 . 1 . . . . . 449 ILE HD12 . 51683 1 1525 . 1 . 1 174 174 ILE HD13 H 1 0.966 0.007 . 1 . . . . . 449 ILE HD13 . 51683 1 1526 . 1 . 1 174 174 ILE C C 13 176.587 0.009 . 1 . . . . . 449 ILE C . 51683 1 1527 . 1 . 1 174 174 ILE CA C 13 61.961 0.037 . 1 . . . . . 449 ILE CA . 51683 1 1528 . 1 . 1 174 174 ILE CB C 13 38.623 0.116 . 1 . . . . . 449 ILE CB . 51683 1 1529 . 1 . 1 174 174 ILE CG1 C 13 27.581 0.078 . 1 . . . . . 449 ILE CG1 . 51683 1 1530 . 1 . 1 174 174 ILE CG2 C 13 17.691 0.134 . 1 . . . . . 449 ILE CG2 . 51683 1 1531 . 1 . 1 174 174 ILE CD1 C 13 13.310 0.071 . 1 . . . . . 449 ILE CD1 . 51683 1 1532 . 1 . 1 174 174 ILE N N 15 117.993 0.073 . 1 . . . . . 449 ILE N . 51683 1 1533 . 1 . 1 175 175 HIS H H 1 8.111 0.004 . 1 . . . . . 450 HIS H . 51683 1 1534 . 1 . 1 175 175 HIS C C 13 175.724 0.000 . 1 . . . . . 450 HIS C . 51683 1 1535 . 1 . 1 175 175 HIS CA C 13 56.806 0.060 . 1 . . . . . 450 HIS CA . 51683 1 1536 . 1 . 1 175 175 HIS CB C 13 30.195 0.114 . 1 . . . . . 450 HIS CB . 51683 1 1537 . 1 . 1 175 175 HIS N N 15 122.158 0.023 . 1 . . . . . 450 HIS N . 51683 1 1538 . 1 . 1 176 176 HIS HA H 1 4.607 0.000 . 1 . . . . . 451 HIS HA . 51683 1 1539 . 1 . 1 176 176 HIS C C 13 173.421 0.000 . 1 . . . . . 451 HIS C . 51683 1 1540 . 1 . 1 176 176 HIS CA C 13 58.373 0.000 . 1 . . . . . 451 HIS CA . 51683 1 1541 . 1 . 1 176 176 HIS CB C 13 32.927 0.000 . 1 . . . . . 451 HIS CB . 51683 1 1542 . 1 . 1 177 177 ASP H H 1 7.842 0.005 . 1 . . . . . 452 ASP H . 51683 1 1543 . 1 . 1 177 177 ASP C C 13 174.797 0.000 . 1 . . . . . 452 ASP C . 51683 1 1544 . 1 . 1 177 177 ASP CA C 13 56.948 0.002 . 1 . . . . . 452 ASP CA . 51683 1 1545 . 1 . 1 177 177 ASP CB C 13 42.961 0.000 . 1 . . . . . 452 ASP CB . 51683 1 1546 . 1 . 1 177 177 ASP N N 15 129.412 0.027 . 1 . . . . . 452 ASP N . 51683 1 stop_ save_