data_16799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16799 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (JFH-1) in presence of 50%TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-29 _Entry.Accession_date 2010-03-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Dries Verdegem . . . 16799 2 Aurelie Badillo . . . 16799 3 Jean-Michel Wieruszeski . . . 16799 4 Isabelle Landrieu . . . 16799 5 Ralf Bartenschlager . . . 16799 6 Francois Penin . . . 16799 7 Guy Lippens . . . 16799 8 Xavier Hanoulle . . . 16799 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'UMR8576 CNRS-USTL' . 16799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 16799 '15N chemical shifts' 97 16799 '1H chemical shifts' 97 16799 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 . . 2011-05-02 2010-03-29 update BMRB 'update entry citation' 16799 1 . . 2011-05-02 2010-03-29 original author 'original release' 16799 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16798 '5A (NS5A) protein from Hepatitis C Virus (JFH-1)' 16799 BMRB 16800 '(Con1) in presence of 50%TFE' 16799 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16799 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21489988 _Citation.Full_citation . _Citation.Title 'Domain 3 of NS5A Protein from the Hepatitis C Virus Has Intrinsic {alpha}-Helical Propensity and Is a Substrate of Cyclophilin A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 23 _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 20441 _Citation.Page_last 20454 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Dries Verdegem . . . 16799 1 2 Aurelie Badillo . . . 16799 1 3 Jean-Michel Wieruszeski . . . 16799 1 4 Isabelle Landrieu . . . 16799 1 5 Arnaud Leroy . . . 16799 1 6 Ralf Bartenschlager . . . 16799 1 7 Francois Penin . . . 16799 1 8 Guy Lippens . . . 16799 1 9 Xavier Hanoulle . . . 16799 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 16799 1 NMR 16799 1 NS5A 16799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16799 _Assembly.ID 1 _Assembly.Name 'HCV (JFH-1) NS5A-D3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 NS5A-D3 1 $HCV_(JFH-1)_NS5A-D3 A . yes native no no . . . 16799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV_(JFH-1)_NS5A-D3 _Entity.Sf_category entity _Entity.Sf_framecode HCV_(JFH-1)_NS5A-D3 _Entity.Entry_ID 16799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV_(JFH-1)_NS5A-D3 _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 ; MRTVGLSESTISEALQQLAI KTFGQPPSSGDAGSSTGAGA AESGGPTSPGEPAPSETGSA SSMPPLEGEPGDPDLESDQV ELQPPPQGGGVAPGSGSGSW STCSEEDDTTVLQHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Residues 2 to 111 correspond to residues 355 to 464 of NS5A protein from HCV JFH-1 strain.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first Methionine residue is a cloning artifact. The last 8 residues represent a non-native affinity tag. This is the domain 3 of the HCV (JFH-1, genotype 2a) NS5A protein. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt Q99IB8 . POLG_HCVJF . . . . . . . . . . . . . . 16799 1 2 yes Genbank AB047639 . "Hepatitis C virus (isolate JFH-1) genomic RNA, complete genome." . . . . . . . . . . . . . . 16799 1 3 yes EuHCVdb AB047639 . "Complete HCV polyprotein" . . . . . . . . . . . . . . 16799 1 4 no BMRB 16798 . NS5A-D3 . . . . . 100.00 119 100.00 100.00 5.84e-74 . . . . 16799 1 5 no DBJ BAB32872 . "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" . . . . . 92.44 3033 100.00 100.00 8.35e-61 . . . . 16799 1 6 no DBJ BAD06942 . "hepatitis C virus nonstructural protein [Hepatitis C virus]" . . . . . 92.44 2004 100.00 100.00 9.22e-61 . . . . 16799 1 7 no DBJ BAF34893 . "HCV polyprotein [Hepatitis C virus full-length replicon pFGR-JFH1]" . . . . . 92.44 3033 100.00 100.00 8.35e-61 . . . . 16799 1 8 no GB ABX82715 . "polyprotein [Recombinant Hepatitis C virus S52/JFH1]" . . . . . 92.44 3035 100.00 100.00 8.43e-61 . . . . 16799 1 9 no GB ABY68009 . "polyprotein [synthetic construct]" . . . . . 92.44 3029 100.00 100.00 8.84e-61 . . . . 16799 1 10 no GB ABY68010 . "polyprotein [synthetic construct]" . . . . . 92.44 3029 100.00 100.00 8.18e-61 . . . . 16799 1 11 no GB ABY68011 . "polyprotein [synthetic construct]" . . . . . 92.44 3029 100.00 100.00 8.51e-61 . . . . 16799 1 12 no GB ABY68012 . "polyprotein [Recombinant Hepatitis C virus H77C/JFH-1]" . . . . . 92.44 3029 100.00 100.00 7.80e-61 . . . . 16799 1 13 no SP Q99IB8 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 92.44 3033 100.00 100.00 8.35e-61 . . . . 16799 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'involved in HCV particles production and assembly' 16799 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 1 354 MET . 16799 1 2 355 ARG . 16799 1 3 356 THR . 16799 1 4 357 VAL . 16799 1 5 358 GLY . 16799 1 6 359 LEU . 16799 1 7 360 SER . 16799 1 8 361 GLU . 16799 1 9 362 SER . 16799 1 10 363 THR . 16799 1 11 364 ILE . 16799 1 12 365 SER . 16799 1 13 366 GLU . 16799 1 14 367 ALA . 16799 1 15 368 LEU . 16799 1 16 369 GLN . 16799 1 17 370 GLN . 16799 1 18 371 LEU . 16799 1 19 372 ALA . 16799 1 20 373 ILE . 16799 1 21 374 LYS . 16799 1 22 375 THR . 16799 1 23 376 PHE . 16799 1 24 377 GLY . 16799 1 25 378 GLN . 16799 1 26 379 PRO . 16799 1 27 380 PRO . 16799 1 28 381 SER . 16799 1 29 382 SER . 16799 1 30 383 GLY . 16799 1 31 384 ASP . 16799 1 32 385 ALA . 16799 1 33 386 GLY . 16799 1 34 387 SER . 16799 1 35 388 SER . 16799 1 36 389 THR . 16799 1 37 390 GLY . 16799 1 38 391 ALA . 16799 1 39 392 GLY . 16799 1 40 393 ALA . 16799 1 41 394 ALA . 16799 1 42 395 GLU . 16799 1 43 396 SER . 16799 1 44 397 GLY . 16799 1 45 398 GLY . 16799 1 46 399 PRO . 16799 1 47 400 THR . 16799 1 48 401 SER . 16799 1 49 402 PRO . 16799 1 50 403 GLY . 16799 1 51 404 GLU . 16799 1 52 405 PRO . 16799 1 53 406 ALA . 16799 1 54 407 PRO . 16799 1 55 408 SER . 16799 1 56 409 GLU . 16799 1 57 410 THR . 16799 1 58 411 GLY . 16799 1 59 412 SER . 16799 1 60 413 ALA . 16799 1 61 414 SER . 16799 1 62 415 SER . 16799 1 63 416 MET . 16799 1 64 417 PRO . 16799 1 65 418 PRO . 16799 1 66 419 LEU . 16799 1 67 420 GLU . 16799 1 68 421 GLY . 16799 1 69 422 GLU . 16799 1 70 423 PRO . 16799 1 71 424 GLY . 16799 1 72 425 ASP . 16799 1 73 426 PRO . 16799 1 74 427 ASP . 16799 1 75 428 LEU . 16799 1 76 429 GLU . 16799 1 77 430 SER . 16799 1 78 431 ASP . 16799 1 79 432 GLN . 16799 1 80 433 VAL . 16799 1 81 434 GLU . 16799 1 82 435 LEU . 16799 1 83 436 GLN . 16799 1 84 437 PRO . 16799 1 85 438 PRO . 16799 1 86 439 PRO . 16799 1 87 440 GLN . 16799 1 88 441 GLY . 16799 1 89 442 GLY . 16799 1 90 443 GLY . 16799 1 91 444 VAL . 16799 1 92 445 ALA . 16799 1 93 446 PRO . 16799 1 94 447 GLY . 16799 1 95 448 SER . 16799 1 96 449 GLY . 16799 1 97 450 SER . 16799 1 98 451 GLY . 16799 1 99 452 SER . 16799 1 100 453 TRP . 16799 1 101 454 SER . 16799 1 102 455 THR . 16799 1 103 456 CYS . 16799 1 104 457 SER . 16799 1 105 458 GLU . 16799 1 106 459 GLU . 16799 1 107 460 ASP . 16799 1 108 461 ASP . 16799 1 109 462 THR . 16799 1 110 463 THR . 16799 1 111 464 VAL . 16799 1 112 465 LEU . 16799 1 113 466 GLN . 16799 1 114 467 HIS . 16799 1 115 468 HIS . 16799 1 116 469 HIS . 16799 1 117 470 HIS . 16799 1 118 471 HIS . 16799 1 119 472 HIS . 16799 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16799 1 . ARG 2 2 16799 1 . THR 3 3 16799 1 . VAL 4 4 16799 1 . GLY 5 5 16799 1 . LEU 6 6 16799 1 . SER 7 7 16799 1 . GLU 8 8 16799 1 . SER 9 9 16799 1 . THR 10 10 16799 1 . ILE 11 11 16799 1 . SER 12 12 16799 1 . GLU 13 13 16799 1 . ALA 14 14 16799 1 . LEU 15 15 16799 1 . GLN 16 16 16799 1 . GLN 17 17 16799 1 . LEU 18 18 16799 1 . ALA 19 19 16799 1 . ILE 20 20 16799 1 . LYS 21 21 16799 1 . THR 22 22 16799 1 . PHE 23 23 16799 1 . GLY 24 24 16799 1 . GLN 25 25 16799 1 . PRO 26 26 16799 1 . PRO 27 27 16799 1 . SER 28 28 16799 1 . SER 29 29 16799 1 . GLY 30 30 16799 1 . ASP 31 31 16799 1 . ALA 32 32 16799 1 . GLY 33 33 16799 1 . SER 34 34 16799 1 . SER 35 35 16799 1 . THR 36 36 16799 1 . GLY 37 37 16799 1 . ALA 38 38 16799 1 . GLY 39 39 16799 1 . ALA 40 40 16799 1 . ALA 41 41 16799 1 . GLU 42 42 16799 1 . SER 43 43 16799 1 . GLY 44 44 16799 1 . GLY 45 45 16799 1 . PRO 46 46 16799 1 . THR 47 47 16799 1 . SER 48 48 16799 1 . PRO 49 49 16799 1 . GLY 50 50 16799 1 . GLU 51 51 16799 1 . PRO 52 52 16799 1 . ALA 53 53 16799 1 . PRO 54 54 16799 1 . SER 55 55 16799 1 . GLU 56 56 16799 1 . THR 57 57 16799 1 . GLY 58 58 16799 1 . SER 59 59 16799 1 . ALA 60 60 16799 1 . SER 61 61 16799 1 . SER 62 62 16799 1 . MET 63 63 16799 1 . PRO 64 64 16799 1 . PRO 65 65 16799 1 . LEU 66 66 16799 1 . GLU 67 67 16799 1 . GLY 68 68 16799 1 . GLU 69 69 16799 1 . PRO 70 70 16799 1 . GLY 71 71 16799 1 . ASP 72 72 16799 1 . PRO 73 73 16799 1 . ASP 74 74 16799 1 . LEU 75 75 16799 1 . GLU 76 76 16799 1 . SER 77 77 16799 1 . ASP 78 78 16799 1 . GLN 79 79 16799 1 . VAL 80 80 16799 1 . GLU 81 81 16799 1 . LEU 82 82 16799 1 . GLN 83 83 16799 1 . PRO 84 84 16799 1 . PRO 85 85 16799 1 . PRO 86 86 16799 1 . GLN 87 87 16799 1 . GLY 88 88 16799 1 . GLY 89 89 16799 1 . GLY 90 90 16799 1 . VAL 91 91 16799 1 . ALA 92 92 16799 1 . PRO 93 93 16799 1 . GLY 94 94 16799 1 . SER 95 95 16799 1 . GLY 96 96 16799 1 . SER 97 97 16799 1 . GLY 98 98 16799 1 . SER 99 99 16799 1 . TRP 100 100 16799 1 . SER 101 101 16799 1 . THR 102 102 16799 1 . CYS 103 103 16799 1 . SER 104 104 16799 1 . GLU 105 105 16799 1 . GLU 106 106 16799 1 . ASP 107 107 16799 1 . ASP 108 108 16799 1 . THR 109 109 16799 1 . THR 110 110 16799 1 . VAL 111 111 16799 1 . LEU 112 112 16799 1 . GLN 113 113 16799 1 . HIS 114 114 16799 1 . HIS 115 115 16799 1 . HIS 116 116 16799 1 . HIS 117 117 16799 1 . HIS 118 118 16799 1 . HIS 119 119 16799 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16799 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HCV_(JFH-1)_NS5A-D3 . 11103 virus . 'Hepatitis C Virus' 'Hepatitis C Virus' . . Virus . Hepacivirus 'Hepatitis C Virus' JFH-1 . . . . . . . . . . . . . . . . . 'Genotype 2a' . . 16799 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16799 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HCV_(JFH-1)_NS5A-D3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)Star . . . . . . . . . . . . . . . pT7.7 . . . . . . 16799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16799 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50% TFE-d3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV (JFH-1) NS5A-D3' '[U-95% 13C; U-98% 15N]' . . 1 $HCV_(JFH-1)_NS5A-D3 . . 500 . . uM . . . . 16799 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16799 1 3 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 16799 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16799 1 5 THP 'natural abundance' . . . . . . 2 . . mM . . . . 16799 1 6 D2O '[U-99.9% 2H]' . . . . . . 5 . . % . . . . 16799 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16799 1 8 TFE '[U-100% 2H]' . . . . . . 50 . . % . . . . 16799 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 16799 _Sample_condition_list.ID 1 _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' 30 . mM 16799 1 pH 6.35 . pH 16799 1 pressure 1 . atm 16799 1 temperature 298 . K 16799 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16799 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16799 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16799 1 processing 16799 1 stop_ save_ save_In_house_product_plane_algorithm _Software.Sf_category software _Software.Sf_framecode In_house_product_plane_algorithm _Software.Entry_ID 16799 _Software.ID 2 _Software.Name In_house_product_plane_algorithm _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dries Verdegem & Guy Lippens' . . 16799 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16799 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16799 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16799 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16799 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 6 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16799 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16799 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16799 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . . . . . 16799 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16799 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16799 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16799 1 2 '3D HNCO' . . . 16799 1 3 '3D HNCACO' . . . 16799 1 4 '3D HNCACB' . . . 16799 1 5 '3D CBCA(CO)NH' . . . 16799 1 6 '3D HNCANNH' . . . 16799 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ARG C C 13 175.964 0.107 . 1 . . . . 355 ARG CO . 16799 1 2 . 1 1 2 2 ARG CA C 13 56.322 0.272 . 1 . . . . 355 ARG CA . 16799 1 3 . 1 1 2 2 ARG CB C 13 31.030 0.272 . 1 . . . . 355 ARG CB . 16799 1 4 . 1 1 3 3 THR H H 1 8.152 0.007 . 1 . . . . 356 THR H . 16799 1 5 . 1 1 3 3 THR C C 13 174.347 0.107 . 1 . . . . 356 THR CO . 16799 1 6 . 1 1 3 3 THR CA C 13 61.555 0.272 . 1 . . . . 356 THR CA . 16799 1 7 . 1 1 3 3 THR CB C 13 69.861 0.272 . 1 . . . . 356 THR CB . 16799 1 8 . 1 1 3 3 THR N N 15 114.489 0.098 . 1 . . . . 356 THR N . 16799 1 9 . 1 1 4 4 VAL H H 1 7.919 0.007 . 1 . . . . 357 VAL H . 16799 1 10 . 1 1 4 4 VAL C C 13 176.222 0.107 . 1 . . . . 357 VAL CO . 16799 1 11 . 1 1 4 4 VAL CA C 13 62.708 0.272 . 1 . . . . 357 VAL CA . 16799 1 12 . 1 1 4 4 VAL CB C 13 32.818 0.272 . 1 . . . . 357 VAL CB . 16799 1 13 . 1 1 4 4 VAL N N 15 121.005 0.098 . 1 . . . . 357 VAL N . 16799 1 14 . 1 1 5 5 GLY H H 1 8.327 0.007 . 1 . . . . 358 GLY H . 16799 1 15 . 1 1 5 5 GLY C C 13 173.972 0.107 . 1 . . . . 358 GLY CO . 16799 1 16 . 1 1 5 5 GLY CA C 13 45.081 0.272 . 1 . . . . 358 GLY CA . 16799 1 17 . 1 1 5 5 GLY N N 15 111.304 0.098 . 1 . . . . 358 GLY N . 16799 1 18 . 1 1 6 6 LEU H H 1 7.905 0.007 . 1 . . . . 359 LEU H . 16799 1 19 . 1 1 6 6 LEU C C 13 177.347 0.107 . 1 . . . . 359 LEU CO . 16799 1 20 . 1 1 6 6 LEU CA C 13 55.811 0.272 . 1 . . . . 359 LEU CA . 16799 1 21 . 1 1 6 6 LEU CB C 13 42.782 0.272 . 1 . . . . 359 LEU CB . 16799 1 22 . 1 1 6 6 LEU N N 15 121.519 0.098 . 1 . . . . 359 LEU N . 16799 1 23 . 1 1 7 7 SER H H 1 8.300 0.007 . 1 . . . . 360 SER H . 16799 1 24 . 1 1 7 7 SER C C 13 174.886 0.107 . 1 . . . . 360 SER CO . 16799 1 25 . 1 1 7 7 SER CA C 13 58.876 0.272 . 1 . . . . 360 SER CA . 16799 1 26 . 1 1 7 7 SER CB C 13 64.241 0.272 . 1 . . . . 360 SER CB . 16799 1 27 . 1 1 7 7 SER N N 15 116.305 0.098 . 1 . . . . 360 SER N . 16799 1 28 . 1 1 8 8 GLU H H 1 9.145 0.007 . 1 . . . . 361 GLU H . 16799 1 29 . 1 1 8 8 GLU C C 13 178.426 0.107 . 1 . . . . 361 GLU CO . 16799 1 30 . 1 1 8 8 GLU CA C 13 59.772 0.272 . 1 . . . . 361 GLU CA . 16799 1 31 . 1 1 8 8 GLU CB C 13 29.242 0.272 . 1 . . . . 361 GLU CB . 16799 1 32 . 1 1 8 8 GLU N N 15 122.491 0.098 . 1 . . . . 361 GLU N . 16799 1 33 . 1 1 9 9 SER H H 1 8.343 0.007 . 1 . . . . 362 SER H . 16799 1 34 . 1 1 9 9 SER C C 13 175.988 0.107 . 1 . . . . 362 SER CO . 16799 1 35 . 1 1 9 9 SER CA C 13 61.048 0.272 . 1 . . . . 362 SER CA . 16799 1 36 . 1 1 9 9 SER CB C 13 62.964 0.272 . 1 . . . . 362 SER CB . 16799 1 37 . 1 1 9 9 SER N N 15 114.597 0.098 . 1 . . . . 362 SER N . 16799 1 38 . 1 1 10 10 THR H H 1 7.897 0.007 . 1 . . . . 363 THR H . 16799 1 39 . 1 1 10 10 THR C C 13 176.316 0.107 . 1 . . . . 363 THR CO . 16799 1 40 . 1 1 10 10 THR CA C 13 65.646 0.272 . 1 . . . . 363 THR CA . 16799 1 41 . 1 1 10 10 THR CB C 13 69.350 0.272 . 1 . . . . 363 THR CB . 16799 1 42 . 1 1 10 10 THR N N 15 117.835 0.098 . 1 . . . . 363 THR N . 16799 1 43 . 1 1 11 11 ILE H H 1 8.014 0.007 . 1 . . . . 364 ILE H . 16799 1 44 . 1 1 11 11 ILE CA C 13 64.497 0.272 . 1 . . . . 364 ILE CA . 16799 1 45 . 1 1 11 11 ILE CB C 13 37.928 0.272 . 1 . . . . 364 ILE CB . 16799 1 46 . 1 1 11 11 ILE N N 15 121.629 0.098 . 1 . . . . 364 ILE N . 16799 1 47 . 1 1 12 12 SER H H 1 8.127 0.007 . 1 . . . . 365 SER H . 16799 1 48 . 1 1 12 12 SER N N 15 114.141 0.098 . 1 . . . . 365 SER N . 16799 1 49 . 1 1 13 13 GLU H H 1 7.973 0.007 . 1 . . . . 366 GLU H . 16799 1 50 . 1 1 13 13 GLU C C 13 178.613 0.107 . 1 . . . . 366 GLU CO . 16799 1 51 . 1 1 13 13 GLU CA C 13 59.643 0.272 . 1 . . . . 366 GLU CA . 16799 1 52 . 1 1 13 13 GLU CB C 13 29.497 0.272 . 1 . . . . 366 GLU CB . 16799 1 53 . 1 1 13 13 GLU N N 15 121.346 0.098 . 1 . . . . 366 GLU N . 16799 1 54 . 1 1 14 14 ALA H H 1 8.076 0.007 . 1 . . . . 367 ALA H . 16799 1 55 . 1 1 14 14 ALA C C 13 180.465 0.107 . 1 . . . . 367 ALA CO . 16799 1 56 . 1 1 14 14 ALA CA C 13 55.555 0.272 . 1 . . . . 367 ALA CA . 16799 1 57 . 1 1 14 14 ALA CB C 13 17.490 0.272 . 1 . . . . 367 ALA CB . 16799 1 58 . 1 1 14 14 ALA N N 15 122.912 0.098 . 1 . . . . 367 ALA N . 16799 1 59 . 1 1 15 15 LEU H H 1 8.545 0.007 . 1 . . . . 368 LEU H . 16799 1 60 . 1 1 15 15 LEU C C 13 179.668 0.107 . 1 . . . . 368 LEU CO . 16799 1 61 . 1 1 15 15 LEU CA C 13 58.110 0.272 . 1 . . . . 368 LEU CA . 16799 1 62 . 1 1 15 15 LEU CB C 13 41.633 0.272 . 1 . . . . 368 LEU CB . 16799 1 63 . 1 1 15 15 LEU N N 15 118.061 0.098 . 1 . . . . 368 LEU N . 16799 1 64 . 1 1 16 16 GLN H H 1 8.109 0.007 . 1 . . . . 369 GLN H . 16799 1 65 . 1 1 16 16 GLN C C 13 178.332 0.107 . 1 . . . . 369 GLN CO . 16799 1 66 . 1 1 16 16 GLN CA C 13 59.387 0.272 . 1 . . . . 369 GLN CA . 16799 1 67 . 1 1 16 16 GLN CB C 13 28.858 0.272 . 1 . . . . 369 GLN CB . 16799 1 68 . 1 1 16 16 GLN N N 15 118.435 0.098 . 1 . . . . 369 GLN N . 16799 1 69 . 1 1 17 17 GLN H H 1 8.095 0.007 . 1 . . . . 370 GLN H . 16799 1 70 . 1 1 17 17 GLN C C 13 178.566 0.107 . 1 . . . . 370 GLN CO . 16799 1 71 . 1 1 17 17 GLN CA C 13 59.387 0.272 . 1 . . . . 370 GLN CA . 16799 1 72 . 1 1 17 17 GLN CB C 13 28.220 0.272 . 1 . . . . 370 GLN CB . 16799 1 73 . 1 1 17 17 GLN N N 15 116.999 0.098 . 1 . . . . 370 GLN N . 16799 1 74 . 1 1 18 18 LEU H H 1 8.254 0.007 . 1 . . . . 371 LEU H . 16799 1 75 . 1 1 18 18 LEU C C 13 179.903 0.107 . 1 . . . . 371 LEU CO . 16799 1 76 . 1 1 18 18 LEU CA C 13 58.110 0.272 . 1 . . . . 371 LEU CA . 16799 1 77 . 1 1 18 18 LEU CB C 13 41.760 0.272 . 1 . . . . 371 LEU CB . 16799 1 78 . 1 1 18 18 LEU N N 15 120.432 0.098 . 1 . . . . 371 LEU N . 16799 1 79 . 1 1 19 19 ALA H H 1 8.491 0.007 . 1 . . . . 372 ALA H . 16799 1 80 . 1 1 19 19 ALA C C 13 179.903 0.107 . 1 . . . . 372 ALA CO . 16799 1 81 . 1 1 19 19 ALA CA C 13 55.683 0.272 . 1 . . . . 372 ALA CA . 16799 1 82 . 1 1 19 19 ALA CB C 13 17.490 0.272 . 1 . . . . 372 ALA CB . 16799 1 83 . 1 1 19 19 ALA N N 15 124.182 0.098 . 1 . . . . 372 ALA N . 16799 1 84 . 1 1 20 20 ILE H H 1 8.139 0.007 . 1 . . . . 373 ILE H . 16799 1 85 . 1 1 20 20 ILE C C 13 179.012 0.107 . 1 . . . . 373 ILE CO . 16799 1 86 . 1 1 20 20 ILE CA C 13 65.008 0.272 . 1 . . . . 373 ILE CA . 16799 1 87 . 1 1 20 20 ILE CB C 13 38.183 0.272 . 1 . . . . 373 ILE CB . 16799 1 88 . 1 1 20 20 ILE N N 15 118.205 0.098 . 1 . . . . 373 ILE N . 16799 1 89 . 1 1 21 21 LYS H H 1 8.177 0.007 . 1 . . . . 374 LYS H . 16799 1 90 . 1 1 21 21 LYS C C 13 178.121 0.107 . 1 . . . . 374 LYS CO . 16799 1 91 . 1 1 21 21 LYS CA C 13 58.876 0.272 . 1 . . . . 374 LYS CA . 16799 1 92 . 1 1 21 21 LYS CB C 13 32.563 0.272 . 1 . . . . 374 LYS CB . 16799 1 93 . 1 1 21 21 LYS N N 15 118.849 0.098 . 1 . . . . 374 LYS N . 16799 1 94 . 1 1 22 22 THR H H 1 7.955 0.007 . 1 . . . . 375 THR H . 16799 1 95 . 1 1 22 22 THR C C 13 175.308 0.107 . 1 . . . . 375 THR CO . 16799 1 96 . 1 1 22 22 THR CA C 13 64.752 0.272 . 1 . . . . 375 THR CA . 16799 1 97 . 1 1 22 22 THR CB C 13 69.733 0.272 . 1 . . . . 375 THR CB . 16799 1 98 . 1 1 22 22 THR N N 15 111.758 0.098 . 1 . . . . 375 THR N . 16799 1 99 . 1 1 23 23 PHE H H 1 8.273 0.007 . 1 . . . . 376 PHE H . 16799 1 100 . 1 1 23 23 PHE C C 13 177.044 0.107 . 1 . . . . 376 PHE CO . 16799 1 101 . 1 1 23 23 PHE CA C 13 59.132 0.272 . 1 . . . . 376 PHE CA . 16799 1 102 . 1 1 23 23 PHE CB C 13 39.460 0.272 . 1 . . . . 376 PHE CB . 16799 1 103 . 1 1 23 23 PHE N N 15 119.784 0.098 . 1 . . . . 376 PHE N . 16799 1 104 . 1 1 24 24 GLY H H 1 8.123 0.007 . 1 . . . . 377 GLY H . 16799 1 105 . 1 1 24 24 GLY C C 13 173.550 0.107 . 1 . . . . 377 GLY CO . 16799 1 106 . 1 1 24 24 GLY CA C 13 45.336 0.272 . 1 . . . . 377 GLY CA . 16799 1 107 . 1 1 24 24 GLY N N 15 108.817 0.098 . 1 . . . . 377 GLY N . 16799 1 108 . 1 1 25 25 GLN H H 1 7.823 0.007 . 1 . . . . 378 GLN H . 16799 1 109 . 1 1 25 25 GLN C C 13 173.409 0.107 . 1 . . . . 378 GLN CO . 16799 1 110 . 1 1 25 25 GLN CA C 13 53.511 0.272 . 1 . . . . 378 GLN CA . 16799 1 111 . 1 1 25 25 GLN CB C 13 29.242 0.272 . 1 . . . . 378 GLN CB . 16799 1 112 . 1 1 25 25 GLN N N 15 118.871 0.098 . 1 . . . . 378 GLN N . 16799 1 113 . 1 1 27 27 PRO C C 13 176.668 0.107 . 1 . . . . 380 PRO CO . 16799 1 114 . 1 1 27 27 PRO CA C 13 63.475 0.272 . 1 . . . . 380 PRO CA . 16799 1 115 . 1 1 27 27 PRO CB C 13 31.668 0.272 . 1 . . . . 380 PRO CB . 16799 1 116 . 1 1 28 28 SER H H 1 8.178 0.007 . 1 . . . . 381 SER H . 16799 1 117 . 1 1 28 28 SER C C 13 174.723 0.107 . 1 . . . . 381 SER CO . 16799 1 118 . 1 1 28 28 SER CA C 13 58.110 0.272 . 1 . . . . 381 SER CA . 16799 1 119 . 1 1 28 28 SER CB C 13 64.241 0.272 . 1 . . . . 381 SER CB . 16799 1 120 . 1 1 28 28 SER N N 15 114.368 0.098 . 1 . . . . 381 SER N . 16799 1 121 . 1 1 29 29 SER H H 1 8.321 0.007 . 1 . . . . 382 SER H . 16799 1 122 . 1 1 29 29 SER C C 13 175.097 0.107 . 1 . . . . 382 SER CO . 16799 1 123 . 1 1 29 29 SER CA C 13 58.749 0.272 . 1 . . . . 382 SER CA . 16799 1 124 . 1 1 29 29 SER CB C 13 63.986 0.272 . 1 . . . . 382 SER CB . 16799 1 125 . 1 1 29 29 SER N N 15 116.934 0.098 . 1 . . . . 382 SER N . 16799 1 126 . 1 1 30 30 GLY H H 1 8.362 0.007 . 1 . . . . 383 GLY H . 16799 1 127 . 1 1 30 30 GLY C C 13 173.854 0.107 . 1 . . . . 383 GLY CO . 16799 1 128 . 1 1 30 30 GLY CA C 13 45.463 0.272 . 1 . . . . 383 GLY CA . 16799 1 129 . 1 1 30 30 GLY N N 15 109.954 0.098 . 1 . . . . 383 GLY N . 16799 1 130 . 1 1 31 31 ASP H H 1 8.164 0.007 . 1 . . . . 384 ASP H . 16799 1 131 . 1 1 31 31 ASP C C 13 176.503 0.107 . 1 . . . . 384 ASP CO . 16799 1 132 . 1 1 31 31 ASP CA C 13 54.278 0.272 . 1 . . . . 384 ASP CA . 16799 1 133 . 1 1 31 31 ASP CB C 13 41.504 0.272 . 1 . . . . 384 ASP CB . 16799 1 134 . 1 1 31 31 ASP N N 15 120.025 0.098 . 1 . . . . 384 ASP N . 16799 1 135 . 1 1 32 32 ALA H H 1 8.333 0.007 . 1 . . . . 385 ALA H . 16799 1 136 . 1 1 32 32 ALA C C 13 178.613 0.107 . 1 . . . . 385 ALA CO . 16799 1 137 . 1 1 32 32 ALA CA C 13 53.511 0.272 . 1 . . . . 385 ALA CA . 16799 1 138 . 1 1 32 32 ALA CB C 13 18.512 0.272 . 1 . . . . 385 ALA CB . 16799 1 139 . 1 1 32 32 ALA N N 15 124.564 0.098 . 1 . . . . 385 ALA N . 16799 1 140 . 1 1 33 33 GLY H H 1 8.450 0.007 . 1 . . . . 386 GLY H . 16799 1 141 . 1 1 33 33 GLY C C 13 174.769 0.107 . 1 . . . . 386 GLY CO . 16799 1 142 . 1 1 33 33 GLY CA C 13 45.592 0.272 . 1 . . . . 386 GLY CA . 16799 1 143 . 1 1 33 33 GLY N N 15 106.898 0.098 . 1 . . . . 386 GLY N . 16799 1 144 . 1 1 34 34 SER H H 1 8.078 0.007 . 1 . . . . 387 SER H . 16799 1 145 . 1 1 34 34 SER C C 13 175.097 0.107 . 1 . . . . 387 SER CO . 16799 1 146 . 1 1 34 34 SER CA C 13 58.876 0.272 . 1 . . . . 387 SER CA . 16799 1 147 . 1 1 34 34 SER CB C 13 63.844 0.272 . 1 . . . . 387 SER CB . 16799 1 148 . 1 1 34 34 SER N N 15 115.087 0.098 . 1 . . . . 387 SER N . 16799 1 149 . 1 1 35 35 SER H H 1 8.346 0.007 . 1 . . . . 388 SER H . 16799 1 150 . 1 1 35 35 SER C C 13 174.933 0.107 . 1 . . . . 388 SER CO . 16799 1 151 . 1 1 35 35 SER CA C 13 58.876 0.272 . 1 . . . . 388 SER CA . 16799 1 152 . 1 1 35 35 SER CB C 13 63.730 0.272 . 1 . . . . 388 SER CB . 16799 1 153 . 1 1 35 35 SER N N 15 117.139 0.098 . 1 . . . . 388 SER N . 16799 1 154 . 1 1 36 36 THR H H 1 8.085 0.007 . 1 . . . . 389 THR H . 16799 1 155 . 1 1 36 36 THR C C 13 175.331 0.107 . 1 . . . . 389 THR CO . 16799 1 156 . 1 1 36 36 THR CA C 13 62.453 0.272 . 1 . . . . 389 THR CA . 16799 1 157 . 1 1 36 36 THR CB C 13 69.861 0.272 . 1 . . . . 389 THR CB . 16799 1 158 . 1 1 36 36 THR N N 15 114.065 0.098 . 1 . . . . 389 THR N . 16799 1 159 . 1 1 37 37 GLY H H 1 8.298 0.007 . 1 . . . . 390 GLY H . 16799 1 160 . 1 1 37 37 GLY C C 13 174.089 0.107 . 1 . . . . 390 GLY CO . 16799 1 161 . 1 1 37 37 GLY CA C 13 45.336 0.272 . 1 . . . . 390 GLY CA . 16799 1 162 . 1 1 37 37 GLY N N 15 110.293 0.098 . 1 . . . . 390 GLY N . 16799 1 163 . 1 1 38 38 ALA H H 1 8.128 0.007 . 1 . . . . 391 ALA H . 16799 1 164 . 1 1 38 38 ALA C C 13 178.285 0.107 . 1 . . . . 391 ALA CO . 16799 1 165 . 1 1 38 38 ALA CA C 13 53.000 0.272 . 1 . . . . 391 ALA CA . 16799 1 166 . 1 1 38 38 ALA CB C 13 18.767 0.272 . 1 . . . . 391 ALA CB . 16799 1 167 . 1 1 38 38 ALA N N 15 123.469 0.098 . 1 . . . . 391 ALA N . 16799 1 168 . 1 1 39 39 GLY H H 1 8.374 0.007 . 1 . . . . 392 GLY H . 16799 1 169 . 1 1 39 39 GLY C C 13 174.347 0.107 . 1 . . . . 392 GLY CO . 16799 1 170 . 1 1 39 39 GLY CA C 13 45.336 0.272 . 1 . . . . 392 GLY CA . 16799 1 171 . 1 1 39 39 GLY N N 15 107.428 0.098 . 1 . . . . 392 GLY N . 16799 1 172 . 1 1 40 40 ALA H H 1 8.034 0.007 . 1 . . . . 393 ALA H . 16799 1 173 . 1 1 40 40 ALA C C 13 178.052 0.107 . 1 . . . . 393 ALA CO . 16799 1 174 . 1 1 40 40 ALA CA C 13 53.000 0.272 . 1 . . . . 393 ALA CA . 16799 1 175 . 1 1 40 40 ALA CB C 13 18.895 0.272 . 1 . . . . 393 ALA CB . 16799 1 176 . 1 1 40 40 ALA N N 15 123.453 0.098 . 1 . . . . 393 ALA N . 16799 1 177 . 1 1 41 41 ALA H H 1 8.197 0.007 . 1 . . . . 394 ALA H . 16799 1 178 . 1 1 41 41 ALA C C 13 178.262 0.107 . 1 . . . . 394 ALA CO . 16799 1 179 . 1 1 41 41 ALA CA C 13 53.256 0.272 . 1 . . . . 394 ALA CA . 16799 1 180 . 1 1 41 41 ALA CB C 13 18.767 0.272 . 1 . . . . 394 ALA CB . 16799 1 181 . 1 1 41 41 ALA N N 15 121.883 0.098 . 1 . . . . 394 ALA N . 16799 1 182 . 1 1 42 42 GLU H H 1 8.342 0.007 . 1 . . . . 395 GLU H . 16799 1 183 . 1 1 42 42 GLU C C 13 176.739 0.107 . 1 . . . . 395 GLU CO . 16799 1 184 . 1 1 42 42 GLU CA C 13 57.088 0.272 . 1 . . . . 395 GLU CA . 16799 1 185 . 1 1 42 42 GLU CB C 13 30.008 0.272 . 1 . . . . 395 GLU CB . 16799 1 186 . 1 1 42 42 GLU N N 15 118.552 0.098 . 1 . . . . 395 GLU N . 16799 1 187 . 1 1 43 43 SER H H 1 8.137 0.007 . 1 . . . . 396 SER H . 16799 1 188 . 1 1 43 43 SER C C 13 174.933 0.107 . 1 . . . . 396 SER CO . 16799 1 189 . 1 1 43 43 SER CA C 13 58.621 0.272 . 1 . . . . 396 SER CA . 16799 1 190 . 1 1 43 43 SER CB C 13 64.114 0.272 . 1 . . . . 396 SER CB . 16799 1 191 . 1 1 43 43 SER N N 15 115.144 0.098 . 1 . . . . 396 SER N . 16799 1 192 . 1 1 44 44 GLY H H 1 8.305 0.007 . 1 . . . . 397 GLY H . 16799 1 193 . 1 1 44 44 GLY C C 13 174.229 0.107 . 1 . . . . 397 GLY CO . 16799 1 194 . 1 1 44 44 GLY CA C 13 45.336 0.272 . 1 . . . . 397 GLY CA . 16799 1 195 . 1 1 44 44 GLY N N 15 109.961 0.098 . 1 . . . . 397 GLY N . 16799 1 196 . 1 1 45 45 GLY H H 1 8.091 0.007 . 1 . . . . 398 GLY H . 16799 1 197 . 1 1 45 45 GLY C C 13 171.933 0.107 . 1 . . . . 398 GLY CO . 16799 1 198 . 1 1 45 45 GLY CA C 13 44.314 0.272 . 1 . . . . 398 GLY CA . 16799 1 199 . 1 1 45 45 GLY N N 15 107.991 0.098 . 1 . . . . 398 GLY N . 16799 1 200 . 1 1 46 46 PRO C C 13 177.043 0.107 . 1 . . . . 399 PRO CO . 16799 1 201 . 1 1 46 46 PRO CA C 13 63.475 0.272 . 1 . . . . 399 PRO CA . 16799 1 202 . 1 1 46 46 PRO CB C 13 31.923 0.272 . 1 . . . . 399 PRO CB . 16799 1 203 . 1 1 47 47 THR H H 1 8.074 0.007 . 1 . . . . 400 THR H . 16799 1 204 . 1 1 47 47 THR C C 13 174.136 0.107 . 1 . . . . 400 THR CO . 16799 1 205 . 1 1 47 47 THR CA C 13 61.559 0.272 . 1 . . . . 400 THR CA . 16799 1 206 . 1 1 47 47 THR CB C 13 70.117 0.272 . 1 . . . . 400 THR CB . 16799 1 207 . 1 1 47 47 THR N N 15 112.218 0.098 . 1 . . . . 400 THR N . 16799 1 208 . 1 1 48 48 SER H H 1 8.164 0.007 . 1 . . . . 401 SER H . 16799 1 209 . 1 1 48 48 SER CA C 13 56.322 0.272 . 1 . . . . 401 SER CA . 16799 1 210 . 1 1 48 48 SER CB C 13 63.730 0.272 . 1 . . . . 401 SER CB . 16799 1 211 . 1 1 48 48 SER N N 15 118.015 0.098 . 1 . . . . 401 SER N . 16799 1 212 . 1 1 49 49 PRO C C 13 177.066 0.107 . 1 . . . . 402 PRO CO . 16799 1 213 . 1 1 49 49 PRO CA C 13 63.730 0.272 . 1 . . . . 402 PRO CA . 16799 1 214 . 1 1 49 49 PRO CB C 13 31.796 0.272 . 1 . . . . 402 PRO CB . 16799 1 215 . 1 1 50 50 GLY H H 1 8.223 0.007 . 1 . . . . 403 GLY H . 16799 1 216 . 1 1 50 50 GLY C C 13 173.432 0.107 . 1 . . . . 403 GLY CO . 16799 1 217 . 1 1 50 50 GLY CA C 13 44.825 0.272 . 1 . . . . 403 GLY CA . 16799 1 218 . 1 1 50 50 GLY N N 15 108.008 0.098 . 1 . . . . 403 GLY N . 16799 1 219 . 1 1 51 51 GLU H H 1 7.973 0.007 . 1 . . . . 404 GLU H . 16799 1 220 . 1 1 51 51 GLU C C 13 174.512 0.107 . 1 . . . . 404 GLU CO . 16799 1 221 . 1 1 51 51 GLU CA C 13 54.278 0.272 . 1 . . . . 404 GLU CA . 16799 1 222 . 1 1 51 51 GLU CB C 13 30.008 0.272 . 1 . . . . 404 GLU CB . 16799 1 223 . 1 1 51 51 GLU N N 15 120.760 0.098 . 1 . . . . 404 GLU N . 16799 1 224 . 1 1 52 52 PRO C C 13 175.894 0.107 . 1 . . . . 405 PRO CO . 16799 1 225 . 1 1 52 52 PRO CA C 13 63.219 0.272 . 1 . . . . 405 PRO CA . 16799 1 226 . 1 1 52 52 PRO CB C 13 31.796 0.272 . 1 . . . . 405 PRO CB . 16799 1 227 . 1 1 53 53 ALA H H 1 8.188 0.007 . 1 . . . . 406 ALA H . 16799 1 228 . 1 1 53 53 ALA C C 13 175.872 0.107 . 1 . . . . 406 ALA CO . 16799 1 229 . 1 1 53 53 ALA CA C 13 50.190 0.272 . 1 . . . . 406 ALA CA . 16799 1 230 . 1 1 53 53 ALA CB C 13 18.257 0.272 . 1 . . . . 406 ALA CB . 16799 1 231 . 1 1 53 53 ALA N N 15 124.139 0.098 . 1 . . . . 406 ALA N . 16799 1 232 . 1 1 54 54 PRO C C 13 177.019 0.107 . 1 . . . . 407 PRO CO . 16799 1 233 . 1 1 54 54 PRO CA C 13 63.730 0.272 . 1 . . . . 407 PRO CA . 16799 1 234 . 1 1 54 54 PRO CB C 13 31.718 0.272 . 1 . . . . 407 PRO CB . 16799 1 235 . 1 1 55 55 SER H H 1 8.126 0.007 . 1 . . . . 408 SER H . 16799 1 236 . 1 1 55 55 SER C C 13 175.003 0.107 . 1 . . . . 408 SER CO . 16799 1 237 . 1 1 55 55 SER CA C 13 58.621 0.272 . 1 . . . . 408 SER CA . 16799 1 238 . 1 1 55 55 SER CB C 13 63.986 0.272 . 1 . . . . 408 SER CB . 16799 1 239 . 1 1 55 55 SER N N 15 113.884 0.098 . 1 . . . . 408 SER N . 16799 1 240 . 1 1 56 56 GLU H H 1 8.573 0.007 . 1 . . . . 409 GLU H . 16799 1 241 . 1 1 56 56 GLU C C 13 176.996 0.107 . 1 . . . . 409 GLU CO . 16799 1 242 . 1 1 56 56 GLU CA C 13 57.088 0.272 . 1 . . . . 409 GLU CA . 16799 1 243 . 1 1 56 56 GLU CB C 13 30.008 0.272 . 1 . . . . 409 GLU CB . 16799 1 244 . 1 1 56 56 GLU N N 15 122.468 0.098 . 1 . . . . 409 GLU N . 16799 1 245 . 1 1 57 57 THR H H 1 8.082 0.007 . 1 . . . . 410 THR H . 16799 1 246 . 1 1 57 57 THR C C 13 175.566 0.107 . 1 . . . . 410 THR CO . 16799 1 247 . 1 1 57 57 THR CA C 13 62.453 0.272 . 1 . . . . 410 THR CA . 16799 1 248 . 1 1 57 57 THR CB C 13 69.861 0.272 . 1 . . . . 410 THR CB . 16799 1 249 . 1 1 57 57 THR N N 15 112.503 0.098 . 1 . . . . 410 THR N . 16799 1 250 . 1 1 58 58 GLY H H 1 8.349 0.007 . 1 . . . . 411 GLY H . 16799 1 251 . 1 1 58 58 GLY C C 13 174.418 0.107 . 1 . . . . 411 GLY CO . 16799 1 252 . 1 1 58 58 GLY CA C 13 45.592 0.272 . 1 . . . . 411 GLY CA . 16799 1 253 . 1 1 58 58 GLY N N 15 110.478 0.098 . 1 . . . . 411 GLY N . 16799 1 254 . 1 1 59 59 SER H H 1 8.137 0.007 . 1 . . . . 412 SER H . 16799 1 255 . 1 1 59 59 SER C C 13 174.722 0.107 . 1 . . . . 412 SER CO . 16799 1 256 . 1 1 59 59 SER CA C 13 58.493 0.272 . 1 . . . . 412 SER CA . 16799 1 257 . 1 1 59 59 SER CB C 13 63.986 0.272 . 1 . . . . 412 SER CB . 16799 1 258 . 1 1 59 59 SER N N 15 115.123 0.098 . 1 . . . . 412 SER N . 16799 1 259 . 1 1 60 60 ALA H H 1 8.327 0.007 . 1 . . . . 413 ALA H . 16799 1 260 . 1 1 60 60 ALA C C 13 177.910 0.107 . 1 . . . . 413 ALA CO . 16799 1 261 . 1 1 60 60 ALA CA C 13 53.256 0.272 . 1 . . . . 413 ALA CA . 16799 1 262 . 1 1 60 60 ALA CB C 13 18.767 0.272 . 1 . . . . 413 ALA CB . 16799 1 263 . 1 1 60 60 ALA N N 15 125.419 0.098 . 1 . . . . 413 ALA N . 16799 1 264 . 1 1 61 61 SER H H 1 8.114 0.007 . 1 . . . . 414 SER H . 16799 1 265 . 1 1 61 61 SER C C 13 174.442 0.107 . 1 . . . . 414 SER CO . 16799 1 266 . 1 1 61 61 SER CA C 13 58.621 0.272 . 1 . . . . 414 SER CA . 16799 1 267 . 1 1 61 61 SER CB C 13 63.986 0.272 . 1 . . . . 414 SER CB . 16799 1 268 . 1 1 61 61 SER N N 15 113.085 0.098 . 1 . . . . 414 SER N . 16799 1 269 . 1 1 62 62 SER H H 1 8.080 0.007 . 1 . . . . 415 SER H . 16799 1 270 . 1 1 62 62 SER C C 13 173.690 0.107 . 1 . . . . 415 SER CO . 16799 1 271 . 1 1 62 62 SER CA C 13 58.365 0.272 . 1 . . . . 415 SER CA . 16799 1 272 . 1 1 62 62 SER CB C 13 64.113 0.272 . 1 . . . . 415 SER CB . 16799 1 273 . 1 1 62 62 SER N N 15 116.712 0.098 . 1 . . . . 415 SER N . 16799 1 274 . 1 1 63 63 MET H H 1 8.033 0.007 . 1 . . . . 416 MET H . 16799 1 275 . 1 1 63 63 MET CA C 13 53.256 0.272 . 1 . . . . 416 MET CA . 16799 1 276 . 1 1 63 63 MET CB C 13 32.691 0.272 . 1 . . . . 416 MET CB . 16799 1 277 . 1 1 63 63 MET N N 15 121.775 0.098 . 1 . . . . 416 MET N . 16799 1 278 . 1 1 65 65 PRO C C 13 176.574 0.107 . 1 . . . . 418 PRO CO . 16799 1 279 . 1 1 65 65 PRO CA C 13 63.091 0.272 . 1 . . . . 418 PRO CA . 16799 1 280 . 1 1 65 65 PRO CB C 13 31.030 0.272 . 1 . . . . 418 PRO CB . 16799 1 281 . 1 1 66 66 LEU H H 1 7.987 0.007 . 1 . . . . 419 LEU H . 16799 1 282 . 1 1 66 66 LEU C C 13 177.254 0.107 . 1 . . . . 419 LEU CO . 16799 1 283 . 1 1 66 66 LEU CA C 13 55.300 0.272 . 1 . . . . 419 LEU CA . 16799 1 284 . 1 1 66 66 LEU CB C 13 42.782 0.272 . 1 . . . . 419 LEU CB . 16799 1 285 . 1 1 66 66 LEU N N 15 121.460 0.098 . 1 . . . . 419 LEU N . 16799 1 286 . 1 1 67 67 GLU H H 1 8.273 0.007 . 1 . . . . 420 GLU H . 16799 1 287 . 1 1 67 67 GLU C C 13 176.457 0.107 . 1 . . . . 420 GLU CO . 16799 1 288 . 1 1 67 67 GLU CA C 13 56.577 0.272 . 1 . . . . 420 GLU CA . 16799 1 289 . 1 1 67 67 GLU CB C 13 30.519 0.272 . 1 . . . . 420 GLU CB . 16799 1 290 . 1 1 67 67 GLU N N 15 120.072 0.098 . 1 . . . . 420 GLU N . 16799 1 291 . 1 1 68 68 GLY H H 1 8.171 0.007 . 1 . . . . 421 GLY H . 16799 1 292 . 1 1 68 68 GLY C C 13 173.198 0.107 . 1 . . . . 421 GLY CO . 16799 1 293 . 1 1 68 68 GLY CA C 13 44.825 0.272 . 1 . . . . 421 GLY CA . 16799 1 294 . 1 1 68 68 GLY N N 15 108.767 0.098 . 1 . . . . 421 GLY N . 16799 1 295 . 1 1 69 69 GLU H H 1 8.215 0.007 . 1 . . . . 422 GLU H . 16799 1 296 . 1 1 69 69 GLU C C 13 174.793 0.107 . 1 . . . . 422 GLU CO . 16799 1 297 . 1 1 69 69 GLU CA C 13 54.151 0.272 . 1 . . . . 422 GLU CA . 16799 1 298 . 1 1 69 69 GLU CB C 13 30.008 0.272 . 1 . . . . 422 GLU CB . 16799 1 299 . 1 1 69 69 GLU N N 15 120.709 0.098 . 1 . . . . 422 GLU N . 16799 1 300 . 1 1 70 70 PRO C C 13 177.137 0.107 . 1 . . . . 423 PRO CO . 16799 1 301 . 1 1 70 70 PRO CA C 13 63.730 0.272 . 1 . . . . 423 PRO CA . 16799 1 302 . 1 1 70 70 PRO CB C 13 31.796 0.272 . 1 . . . . 423 PRO CB . 16799 1 303 . 1 1 71 71 GLY H H 1 8.261 0.007 . 1 . . . . 424 GLY H . 16799 1 304 . 1 1 71 71 GLY C C 13 173.269 0.107 . 1 . . . . 424 GLY CO . 16799 1 305 . 1 1 71 71 GLY CA C 13 44.825 0.272 . 1 . . . . 424 GLY CA . 16799 1 306 . 1 1 71 71 GLY N N 15 108.259 0.098 . 1 . . . . 424 GLY N . 16799 1 307 . 1 1 72 72 ASP H H 1 8.098 0.007 . 1 . . . . 425 ASP H . 16799 1 308 . 1 1 72 72 ASP C C 13 174.957 0.107 . 1 . . . . 425 ASP CO . 16799 1 309 . 1 1 72 72 ASP CA C 13 52.362 0.272 . 1 . . . . 425 ASP CA . 16799 1 310 . 1 1 72 72 ASP CB C 13 41.249 0.272 . 1 . . . . 425 ASP CB . 16799 1 311 . 1 1 72 72 ASP N N 15 120.920 0.098 . 1 . . . . 425 ASP N . 16799 1 312 . 1 1 73 73 PRO C C 13 176.879 0.107 . 1 . . . . 426 PRO CO . 16799 1 313 . 1 1 73 73 PRO CA C 13 63.730 0.272 . 1 . . . . 426 PRO CA . 16799 1 314 . 1 1 73 73 PRO CB C 13 31.924 0.272 . 1 . . . . 426 PRO CB . 16799 1 315 . 1 1 74 74 ASP H H 1 8.435 0.007 . 1 . . . . 427 ASP H . 16799 1 316 . 1 1 74 74 ASP C C 13 176.505 0.107 . 1 . . . . 427 ASP CO . 16799 1 317 . 1 1 74 74 ASP CA C 13 54.533 0.272 . 1 . . . . 427 ASP CA . 16799 1 318 . 1 1 74 74 ASP CB C 13 40.865 0.272 . 1 . . . . 427 ASP CB . 16799 1 319 . 1 1 74 74 ASP N N 15 119.674 0.098 . 1 . . . . 427 ASP N . 16799 1 320 . 1 1 75 75 LEU H H 1 7.974 0.007 . 1 . . . . 428 LEU H . 16799 1 321 . 1 1 75 75 LEU C C 13 177.746 0.107 . 1 . . . . 428 LEU CO . 16799 1 322 . 1 1 75 75 LEU CA C 13 55.811 0.272 . 1 . . . . 428 LEU CA . 16799 1 323 . 1 1 75 75 LEU CB C 13 42.526 0.272 . 1 . . . . 428 LEU CB . 16799 1 324 . 1 1 75 75 LEU N N 15 121.770 0.098 . 1 . . . . 428 LEU N . 16799 1 325 . 1 1 76 76 GLU H H 1 8.244 0.007 . 1 . . . . 429 GLU H . 16799 1 326 . 1 1 76 76 GLU C C 13 176.879 0.107 . 1 . . . . 429 GLU CO . 16799 1 327 . 1 1 76 76 GLU CA C 13 56.832 0.272 . 1 . . . . 429 GLU CA . 16799 1 328 . 1 1 76 76 GLU CB C 13 30.135 0.272 . 1 . . . . 429 GLU CB . 16799 1 329 . 1 1 76 76 GLU N N 15 119.729 0.098 . 1 . . . . 429 GLU N . 16799 1 330 . 1 1 77 77 SER H H 1 8.125 0.007 . 1 . . . . 430 SER H . 16799 1 331 . 1 1 77 77 SER C C 13 174.650 0.107 . 1 . . . . 430 SER CO . 16799 1 332 . 1 1 77 77 SER CA C 13 59.003 0.272 . 1 . . . . 430 SER CA . 16799 1 333 . 1 1 77 77 SER CB C 13 63.986 0.272 . 1 . . . . 430 SER CB . 16799 1 334 . 1 1 77 77 SER N N 15 115.502 0.098 . 1 . . . . 430 SER N . 16799 1 335 . 1 1 78 78 ASP H H 1 8.341 0.007 . 1 . . . . 431 ASP H . 16799 1 336 . 1 1 78 78 ASP C C 13 176.269 0.107 . 1 . . . . 431 ASP CO . 16799 1 337 . 1 1 78 78 ASP CA C 13 54.789 0.272 . 1 . . . . 431 ASP CA . 16799 1 338 . 1 1 78 78 ASP CB C 13 40.993 0.272 . 1 . . . . 431 ASP CB . 16799 1 339 . 1 1 78 78 ASP N N 15 121.849 0.098 . 1 . . . . 431 ASP N . 16799 1 340 . 1 1 79 79 GLN H H 1 8.192 0.007 . 1 . . . . 432 GLN H . 16799 1 341 . 1 1 79 79 GLN C C 13 176.081 0.107 . 1 . . . . 432 GLN CO . 16799 1 342 . 1 1 79 79 GLN CA C 13 56.066 0.272 . 1 . . . . 432 GLN CA . 16799 1 343 . 1 1 79 79 GLN CB C 13 29.369 0.272 . 1 . . . . 432 GLN CB . 16799 1 344 . 1 1 79 79 GLN N N 15 119.116 0.098 . 1 . . . . 432 GLN N . 16799 1 345 . 1 1 80 80 VAL H H 1 7.950 0.007 . 1 . . . . 433 VAL H . 16799 1 346 . 1 1 80 80 VAL C C 13 175.941 0.107 . 1 . . . . 433 VAL CO . 16799 1 347 . 1 1 80 80 VAL CA C 13 62.964 0.272 . 1 . . . . 433 VAL CA . 16799 1 348 . 1 1 80 80 VAL CB C 13 32.818 0.272 . 1 . . . . 433 VAL CB . 16799 1 349 . 1 1 80 80 VAL N N 15 120.284 0.098 . 1 . . . . 433 VAL N . 16799 1 350 . 1 1 81 81 GLU H H 1 8.369 0.007 . 1 . . . . 434 GLU H . 16799 1 351 . 1 1 81 81 GLU C C 13 175.941 0.107 . 1 . . . . 434 GLU CO . 16799 1 352 . 1 1 81 81 GLU CA C 13 56.577 0.272 . 1 . . . . 434 GLU CA . 16799 1 353 . 1 1 81 81 GLU CB C 13 30.264 0.272 . 1 . . . . 434 GLU CB . 16799 1 354 . 1 1 81 81 GLU N N 15 123.294 0.098 . 1 . . . . 434 GLU N . 16799 1 355 . 1 1 82 82 LEU H H 1 7.973 0.007 . 1 . . . . 435 LEU H . 16799 1 356 . 1 1 82 82 LEU C C 13 176.457 0.107 . 1 . . . . 435 LEU CO . 16799 1 357 . 1 1 82 82 LEU CA C 13 55.044 0.272 . 1 . . . . 435 LEU CA . 16799 1 358 . 1 1 82 82 LEU CB C 13 42.526 0.272 . 1 . . . . 435 LEU CB . 16799 1 359 . 1 1 82 82 LEU N N 15 122.473 0.098 . 1 . . . . 435 LEU N . 16799 1 360 . 1 1 83 83 GLN H H 1 7.959 0.007 . 1 . . . . 436 GLN H . 16799 1 361 . 1 1 83 83 GLN C C 13 173.175 0.107 . 1 . . . . 436 GLN CO . 16799 1 362 . 1 1 83 83 GLN CA C 13 53.256 0.272 . 1 . . . . 436 GLN CA . 16799 1 363 . 1 1 83 83 GLN CB C 13 29.242 0.272 . 1 . . . . 436 GLN CB . 16799 1 364 . 1 1 83 83 GLN N N 15 120.710 0.098 . 1 . . . . 436 GLN N . 16799 1 365 . 1 1 86 86 PRO C C 13 177.089 0.107 . 1 . . . . 439 PRO CO . 16799 1 366 . 1 1 86 86 PRO CA C 13 63.475 0.272 . 1 . . . . 439 PRO CA . 16799 1 367 . 1 1 86 86 PRO CB C 13 31.541 0.272 . 1 . . . . 439 PRO CB . 16799 1 368 . 1 1 87 87 GLN H H 1 8.371 0.007 . 1 . . . . 440 GLN H . 16799 1 369 . 1 1 87 87 GLN C C 13 176.503 0.107 . 1 . . . . 440 GLN CO . 16799 1 370 . 1 1 87 87 GLN CA C 13 56.066 0.272 . 1 . . . . 440 GLN CA . 16799 1 371 . 1 1 87 87 GLN CB C 13 29.497 0.272 . 1 . . . . 440 GLN CB . 16799 1 372 . 1 1 87 87 GLN N N 15 118.948 0.098 . 1 . . . . 440 GLN N . 16799 1 373 . 1 1 88 88 GLY H H 1 8.315 0.007 . 1 . . . . 441 GLY H . 16799 1 374 . 1 1 88 88 GLY C C 13 174.464 0.107 . 1 . . . . 441 GLY CO . 16799 1 375 . 1 1 88 88 GLY CA C 13 45.336 0.272 . 1 . . . . 441 GLY CA . 16799 1 376 . 1 1 88 88 GLY N N 15 108.837 0.098 . 1 . . . . 441 GLY N . 16799 1 377 . 1 1 89 89 GLY H H 1 8.178 0.007 . 1 . . . . 442 GLY H . 16799 1 378 . 1 1 89 89 GLY C C 13 174.394 0.107 . 1 . . . . 442 GLY CO . 16799 1 379 . 1 1 89 89 GLY CA C 13 45.213 0.272 . 1 . . . . 442 GLY CA . 16799 1 380 . 1 1 89 89 GLY N N 15 107.472 0.098 . 1 . . . . 442 GLY N . 16799 1 381 . 1 1 90 90 GLY H H 1 8.148 0.007 . 1 . . . . 443 GLY H . 16799 1 382 . 1 1 90 90 GLY C C 13 173.598 0.107 . 1 . . . . 443 GLY CO . 16799 1 383 . 1 1 90 90 GLY CA C 13 45.081 0.272 . 1 . . . . 443 GLY CA . 16799 1 384 . 1 1 90 90 GLY N N 15 107.653 0.098 . 1 . . . . 443 GLY N . 16799 1 385 . 1 1 91 91 VAL H H 1 7.719 0.007 . 1 . . . . 444 VAL H . 16799 1 386 . 1 1 91 91 VAL C C 13 175.191 0.107 . 1 . . . . 444 VAL CO . 16799 1 387 . 1 1 91 91 VAL CA C 13 61.942 0.272 . 1 . . . . 444 VAL CA . 16799 1 388 . 1 1 91 91 VAL CB C 13 33.074 0.272 . 1 . . . . 444 VAL CB . 16799 1 389 . 1 1 91 91 VAL N N 15 117.572 0.098 . 1 . . . . 444 VAL N . 16799 1 390 . 1 1 92 92 ALA H H 1 8.124 0.007 . 1 . . . . 445 ALA H . 16799 1 391 . 1 1 92 92 ALA C C 13 175.496 0.107 . 1 . . . . 445 ALA CO . 16799 1 392 . 1 1 92 92 ALA CA C 13 50.190 0.272 . 1 . . . . 445 ALA CA . 16799 1 393 . 1 1 92 92 ALA CB C 13 18.001 0.272 . 1 . . . . 445 ALA CB . 16799 1 394 . 1 1 92 92 ALA N N 15 127.034 0.098 . 1 . . . . 445 ALA N . 16799 1 395 . 1 1 93 93 PRO C C 13 177.301 0.107 . 1 . . . . 446 PRO CO . 16799 1 396 . 1 1 93 93 PRO CA C 13 63.730 0.272 . 1 . . . . 446 PRO CA . 16799 1 397 . 1 1 93 93 PRO CB C 13 31.541 0.272 . 1 . . . . 446 PRO CB . 16799 1 398 . 1 1 94 94 GLY H H 1 8.340 0.007 . 1 . . . . 447 GLY H . 16799 1 399 . 1 1 94 94 GLY C C 13 174.630 0.107 . 1 . . . . 447 GLY CO . 16799 1 400 . 1 1 94 94 GLY CA C 13 45.336 0.272 . 1 . . . . 447 GLY CA . 16799 1 401 . 1 1 94 94 GLY N N 15 108.740 0.098 . 1 . . . . 447 GLY N . 16799 1 402 . 1 1 95 95 SER H H 1 8.136 0.007 . 1 . . . . 448 SER H . 16799 1 403 . 1 1 95 95 SER C C 13 175.191 0.107 . 1 . . . . 448 SER CO . 16799 1 404 . 1 1 95 95 SER CA C 13 59.132 0.272 . 1 . . . . 448 SER CA . 16799 1 405 . 1 1 95 95 SER CB C 13 63.986 0.272 . 1 . . . . 448 SER CB . 16799 1 406 . 1 1 95 95 SER N N 15 115.075 0.098 . 1 . . . . 448 SER N . 16799 1 407 . 1 1 96 96 GLY H H 1 8.477 0.007 . 1 . . . . 449 GLY H . 16799 1 408 . 1 1 96 96 GLY C C 13 174.370 0.107 . 1 . . . . 449 GLY CO . 16799 1 409 . 1 1 96 96 GLY CA C 13 45.336 0.272 . 1 . . . . 449 GLY CA . 16799 1 410 . 1 1 96 96 GLY N N 15 110.280 0.098 . 1 . . . . 449 GLY N . 16799 1 411 . 1 1 97 97 SER H H 1 8.177 0.007 . 1 . . . . 450 SER H . 16799 1 412 . 1 1 97 97 SER C C 13 175.097 0.107 . 1 . . . . 450 SER CO . 16799 1 413 . 1 1 97 97 SER CA C 13 58.621 0.272 . 1 . . . . 450 SER CA . 16799 1 414 . 1 1 97 97 SER CB C 13 63.986 0.272 . 1 . . . . 450 SER CB . 16799 1 415 . 1 1 97 97 SER N N 15 115.143 0.098 . 1 . . . . 450 SER N . 16799 1 416 . 1 1 98 98 GLY H H 1 8.340 0.007 . 1 . . . . 451 GLY H . 16799 1 417 . 1 1 98 98 GLY C C 13 174.277 0.107 . 1 . . . . 451 GLY CO . 16799 1 418 . 1 1 98 98 GLY CA C 13 45.464 0.272 . 1 . . . . 451 GLY CA . 16799 1 419 . 1 1 98 98 GLY N N 15 110.219 0.098 . 1 . . . . 451 GLY N . 16799 1 420 . 1 1 99 99 SER H H 1 8.068 0.007 . 1 . . . . 452 SER H . 16799 1 421 . 1 1 99 99 SER C C 13 174.417 0.107 . 1 . . . . 452 SER CO . 16799 1 422 . 1 1 99 99 SER CA C 13 58.621 0.272 . 1 . . . . 452 SER CA . 16799 1 423 . 1 1 99 99 SER CB C 13 63.859 0.272 . 1 . . . . 452 SER CB . 16799 1 424 . 1 1 99 99 SER N N 15 115.089 0.098 . 1 . . . . 452 SER N . 16799 1 425 . 1 1 100 100 TRP H H 1 7.976 0.007 . 1 . . . . 453 TRP H . 16799 1 426 . 1 1 100 100 TRP C C 13 176.269 0.107 . 1 . . . . 453 TRP CO . 16799 1 427 . 1 1 100 100 TRP CA C 13 57.599 0.272 . 1 . . . . 453 TRP CA . 16799 1 428 . 1 1 100 100 TRP CB C 13 29.242 0.272 . 1 . . . . 453 TRP CB . 16799 1 429 . 1 1 100 100 TRP N N 15 122.028 0.098 . 1 . . . . 453 TRP N . 16799 1 430 . 1 1 101 101 SER H H 1 7.946 0.007 . 1 . . . . 454 SER H . 16799 1 431 . 1 1 101 101 SER C C 13 174.676 0.107 . 1 . . . . 454 SER CO . 16799 1 432 . 1 1 101 101 SER CA C 13 58.621 0.272 . 1 . . . . 454 SER CA . 16799 1 433 . 1 1 101 101 SER CB C 13 63.986 0.272 . 1 . . . . 454 SER CB . 16799 1 434 . 1 1 101 101 SER N N 15 115.778 0.098 . 1 . . . . 454 SER N . 16799 1 435 . 1 1 102 102 THR H H 1 8.055 0.007 . 1 . . . . 455 THR H . 16799 1 436 . 1 1 102 102 THR C C 13 174.581 0.107 . 1 . . . . 455 THR CO . 16799 1 437 . 1 1 102 102 THR CA C 13 62.197 0.272 . 1 . . . . 455 THR CA . 16799 1 438 . 1 1 102 102 THR CB C 13 69.861 0.272 . 1 . . . . 455 THR CB . 16799 1 439 . 1 1 102 102 THR N N 15 114.257 0.098 . 1 . . . . 455 THR N . 16799 1 440 . 1 1 103 103 CYS H H 1 8.259 0.007 . 1 . . . . 456 CYS H . 16799 1 441 . 1 1 103 103 CYS C C 13 174.440 0.107 . 1 . . . . 456 CYS CO . 16799 1 442 . 1 1 103 103 CYS CA C 13 58.621 0.272 . 1 . . . . 456 CYS CA . 16799 1 443 . 1 1 103 103 CYS CB C 13 27.964 0.272 . 1 . . . . 456 CYS CB . 16799 1 444 . 1 1 103 103 CYS N N 15 119.984 0.098 . 1 . . . . 456 CYS N . 16799 1 445 . 1 1 104 104 SER H H 1 8.423 0.007 . 1 . . . . 457 SER H . 16799 1 446 . 1 1 104 104 SER C C 13 174.652 0.107 . 1 . . . . 457 SER CO . 16799 1 447 . 1 1 104 104 SER CA C 13 58.621 0.272 . 1 . . . . 457 SER CA . 16799 1 448 . 1 1 104 104 SER CB C 13 64.113 0.272 . 1 . . . . 457 SER CB . 16799 1 449 . 1 1 104 104 SER N N 15 117.727 0.098 . 1 . . . . 457 SER N . 16799 1 450 . 1 1 105 105 GLU H H 1 8.600 0.007 . 1 . . . . 458 GLU H . 16799 1 451 . 1 1 105 105 GLU C C 13 176.761 0.107 . 1 . . . . 458 GLU CO . 16799 1 452 . 1 1 105 105 GLU CA C 13 57.343 0.272 . 1 . . . . 458 GLU CA . 16799 1 453 . 1 1 105 105 GLU CB C 13 30.008 0.272 . 1 . . . . 458 GLU CB . 16799 1 454 . 1 1 105 105 GLU N N 15 122.479 0.098 . 1 . . . . 458 GLU N . 16799 1 455 . 1 1 106 106 GLU H H 1 8.355 0.007 . 1 . . . . 459 GLU H . 16799 1 456 . 1 1 106 106 GLU C C 13 176.339 0.107 . 1 . . . . 459 GLU CO . 16799 1 457 . 1 1 106 106 GLU CA C 13 56.960 0.272 . 1 . . . . 459 GLU CA . 16799 1 458 . 1 1 106 106 GLU CB C 13 30.264 0.272 . 1 . . . . 459 GLU CB . 16799 1 459 . 1 1 106 106 GLU N N 15 120.200 0.098 . 1 . . . . 459 GLU N . 16799 1 460 . 1 1 107 107 ASP H H 1 8.246 0.007 . 1 . . . . 460 ASP H . 16799 1 461 . 1 1 107 107 ASP C C 13 176.316 0.107 . 1 . . . . 460 ASP CO . 16799 1 462 . 1 1 107 107 ASP CA C 13 54.533 0.272 . 1 . . . . 460 ASP CA . 16799 1 463 . 1 1 107 107 ASP CB C 13 41.504 0.272 . 1 . . . . 460 ASP CB . 16799 1 464 . 1 1 107 107 ASP N N 15 120.955 0.098 . 1 . . . . 460 ASP N . 16799 1 465 . 1 1 108 108 ASP H H 1 8.416 0.007 . 1 . . . . 461 ASP H . 16799 1 466 . 1 1 108 108 ASP C C 13 177.466 0.107 . 1 . . . . 461 ASP CO . 16799 1 467 . 1 1 108 108 ASP CA C 13 55.555 0.272 . 1 . . . . 461 ASP CA . 16799 1 468 . 1 1 108 108 ASP CB C 13 40.738 0.272 . 1 . . . . 461 ASP CB . 16799 1 469 . 1 1 108 108 ASP N N 15 121.049 0.098 . 1 . . . . 461 ASP N . 16799 1 470 . 1 1 109 109 THR H H 1 8.374 0.007 . 1 . . . . 462 THR H . 16799 1 471 . 1 1 109 109 THR C C 13 176.128 0.107 . 1 . . . . 462 THR CO . 16799 1 472 . 1 1 109 109 THR CA C 13 64.241 0.272 . 1 . . . . 462 THR CA . 16799 1 473 . 1 1 109 109 THR CB C 13 69.350 0.272 . 1 . . . . 462 THR CB . 16799 1 474 . 1 1 109 109 THR N N 15 113.364 0.098 . 1 . . . . 462 THR N . 16799 1 475 . 1 1 110 110 THR H H 1 8.192 0.007 . 1 . . . . 463 THR H . 16799 1 476 . 1 1 110 110 THR CA C 13 65.518 0.272 . 1 . . . . 463 THR CA . 16799 1 477 . 1 1 110 110 THR CB C 13 69.095 0.272 . 1 . . . . 463 THR CB . 16799 1 478 . 1 1 110 110 THR N N 15 117.535 0.098 . 1 . . . . 463 THR N . 16799 1 479 . 1 1 111 111 VAL H H 1 7.892 0.007 . 1 . . . . 464 VAL H . 16799 1 480 . 1 1 111 111 VAL C C 13 177.629 0.107 . 1 . . . . 464 VAL CO . 16799 1 481 . 1 1 111 111 VAL CA C 13 65.518 0.272 . 1 . . . . 464 VAL CA . 16799 1 482 . 1 1 111 111 VAL CB C 13 31.796 0.272 . 1 . . . . 464 VAL CB . 16799 1 483 . 1 1 111 111 VAL N N 15 120.704 0.098 . 1 . . . . 464 VAL N . 16799 1 484 . 1 1 112 112 LEU H H 1 7.878 0.007 . 1 . . . . 465 LEU H . 16799 1 485 . 1 1 112 112 LEU C C 13 178.871 0.107 . 1 . . . . 465 LEU CO . 16799 1 486 . 1 1 112 112 LEU CA C 13 57.343 0.272 . 1 . . . . 465 LEU CA . 16799 1 487 . 1 1 112 112 LEU CB C 13 41.760 0.272 . 1 . . . . 465 LEU CB . 16799 1 488 . 1 1 112 112 LEU N N 15 120.517 0.098 . 1 . . . . 465 LEU N . 16799 1 489 . 1 1 113 113 GLN H H 1 8.132 0.007 . 1 . . . . 466 GLN H . 16799 1 490 . 1 1 113 113 GLN C C 13 177.418 0.107 . 1 . . . . 466 GLN CO . 16799 1 491 . 1 1 113 113 GLN CA C 13 58.110 0.272 . 1 . . . . 466 GLN CA . 16799 1 492 . 1 1 113 113 GLN CB C 13 28.731 0.272 . 1 . . . . 466 GLN CB . 16799 1 493 . 1 1 113 113 GLN N N 15 117.294 0.098 . 1 . . . . 466 GLN N . 16799 1 stop_ save_