data_4958 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4958 _Entry.Title ; 1H, 13C and 15N Sequence-specific Resonance Assignment of the PSCD4 Domain of Diatom cell wall Protein Pleuralin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-02-20 _Entry.Accession_date 2001-02-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michael Wenzler . . . 4958 2 Eike Brunner . . . 4958 3 Nils Kroger . . . 4958 4 Gerhard Lehmann . . . 4958 5 Manfred Sumper . . . 4958 6 Hans Kalbitzer . R. . 4958 7 Silvia 'De Sanctis' . . . 4958 8 Wilhelm Malloni . M. . 4958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 4958 '15N chemical shifts' 86 4958 '1H chemical shifts' 597 4958 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 3 . . 2013-04-07 2001-02-20 update author 'update chemical shift table' 4958 2 . . 2013-03-15 2001-02-20 update author 'update chemical shifts, etc.' 4958 1 . . 2002-04-03 2001-02-20 original author 'original release' 4958 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4958 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21386227 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Sequence-specific Resonance Assignment of the PSCD4 Domain of Diatom cell wall Protein Pleuralin-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _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 191 _Citation.Page_last 192 _Citation.Year 2001 _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 Michael Wenzler . . . 4958 1 2 Eike Brunner . . . 4958 1 3 Nils Kroger . . . 4958 1 4 Gerhard Lehmann . . . 4958 1 5 Manfred Sumper . . . 4958 1 6 Hans Kalbitzer . R. . 4958 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'diatom cell wall' 4958 1 'NMR assignments' 4958 1 pleuralin 4958 1 PSCD 4958 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4958 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2744488 _Citation.Full_citation ; Horton, R.M., Hunt, H.D., Ho, S.N. and Pease, L.R. (1989) Gene 77, 61-68." ; _Citation.Title 'Engineering hybrid genes without the use of restriction enzymes: gene splicing by overlap extension.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Gene _Citation.Journal_name_full Gene _Citation.Journal_volume 77 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0378-1119 _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 61 _Citation.Page_last 68 _Citation.Year 1989 _Citation.Details ; Gene splicing by overlap extension is a new approach for recombining DNA molecules at precise junctions irrespective of nucleotide sequences at the recombination site and without the use of restriction endonucleases or ligase. Fragments from the genes that are to be recombined are generated in separate polymerase chain reactions (PCRs). The primers are designed so that the ends of the products contain complementary sequences. When these PCR products are mixed, denatured, and reannealed, the strands having the matching sequences at their 3' ends overlap and act as primers for each other. Extension of this overlap by DNA polymerase produces a molecule in which the original sequences are 'spliced' together. This technique is used to construct a gene encoding a mosaic fusion protein comprised of parts of two different class-I major histocompatibility genes. This simple and widely applicable approach has significant advantages over standard recombinant DNA techniques. ; 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 R.M. Horton R. M. . 4958 2 2 H.D. Hunt H. D. . 4958 2 3 S.N. Ho S. N. . 4958 2 4 J.K. Pullen J. K. . 4958 2 5 L.R. Pease L. R. . 4958 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 4958 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9431996 _Citation.Full_citation ; Kroger, N., Lehmann, G., Rachel, R. and Sumper, M. (1997) Eur. J. Biochem., 250, 99-105." ; _Citation.Title 'Characterization of a 200-kDa diatom protein that is specifically associated with a silica-based substructure of the cell wall.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European journal of biochemistry / FEBS' _Citation.Journal_volume 250 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-2956 _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 99 _Citation.Page_last 105 _Citation.Year 1997 _Citation.Details ; The cell wall of a diatom is made up of a silica-based scaffold and organic macromolecules. Proteins located in the cell wall are believed to control morphogenesis of the species-specific silica structures of the scaffold. However, data that correlate distinct silica elements and specific proteins within the diatom cell wall have not been reported. Here, the cell wall protein HEP200 (200-kDa HF-extractable protein) from the diatom Cylinidrotheca fusiformis is identified and characterized. HEP200 is tightly associated with a substructure of the silica scaffold. It is a member of a new protein family, of which two more members are identified. Each member displays the same bipartite structure. The N-terminal part consists of a variable number of a repeated sequence motif (PSCD domain), whereas the C-terminal part is unique. Immunolocalization experiments revealed the arrangement of different proteins within the cell wall. Frustulins, a previously described group of glycoproteins, constitute the outer coat of the cell wall and exhibit a ubiquitous distribution. In contrast, HEP200 is specifically located at a subset of about six silica strips in intact cell walls, shielded by frustulins. This study therefore identifies a diatom cell wall protein (HEP200) that is associated with a distinct substructure of the silica scaffold. ; 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 N. Kroger N. . . 4958 3 2 G. Lehmann G. . . 4958 3 3 R. Rachel R. . . 4958 3 4 M. Sumper M. . . 4958 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_His6PSCD4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_His6PSCD4 _Assembly.Entry_ID 4958 _Assembly.ID 1 _Assembly.Name His6PSCD4 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 His6PSCD4 1 $His6PSCD4 . . . native . . . . . 4958 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID His6PSCD4 abbreviation 4958 1 His6PSCD4 system 4958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_His6PSCD4 _Entity.Sf_category entity _Entity.Sf_framecode His6PSCD4 _Entity.Entry_ID 4958 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'pleuralin-1, formerly HEP200' _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 ; SYYHHHHHHTMMPSPEPSSQ PSDCGEVIEECPIDACFLPK SDSARPPDCTAVGRPDCNVL PFPNNIGCPSCCPFECSPDN PMFTPSPDGSPPNCSPTMLP SPSPSAVTVPLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11946 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'rich of proline (22%), serine (11%), cysteine (11%), and aspartate (9%)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2008-01-16 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 . . EMBL CAA75360.1 . 'HEP200 protein [Cylindrothecafusiformis]' . . . . . 11.84 946 100 100 3e-60 . . . . 4958 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID pleuralin-1 abbreviation 4958 1 'pleuralin-1, formerly HEP200' common 4958 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 . SER . 4958 1 2 . TYR . 4958 1 3 . TYR . 4958 1 4 . HIS . 4958 1 5 . HIS . 4958 1 6 . HIS . 4958 1 7 . HIS . 4958 1 8 . HIS . 4958 1 9 . HIS . 4958 1 10 366 THR . 4958 1 11 367 MET . 4958 1 12 368 MET . 4958 1 13 369 PRO . 4958 1 14 370 SER . 4958 1 15 371 PRO . 4958 1 16 372 GLU . 4958 1 17 373 PRO . 4958 1 18 374 SER . 4958 1 19 375 SER . 4958 1 20 376 GLN . 4958 1 21 377 PRO . 4958 1 22 378 SER . 4958 1 23 379 ASP . 4958 1 24 380 CYS . 4958 1 25 381 GLY . 4958 1 26 382 GLU . 4958 1 27 383 VAL . 4958 1 28 384 ILE . 4958 1 29 385 GLU . 4958 1 30 386 GLU . 4958 1 31 387 CYS . 4958 1 32 388 PRO . 4958 1 33 389 ILE . 4958 1 34 390 ASP . 4958 1 35 391 ALA . 4958 1 36 392 CYS . 4958 1 37 393 PHE . 4958 1 38 394 LEU . 4958 1 39 395 PRO . 4958 1 40 396 LYS . 4958 1 41 397 SER . 4958 1 42 398 ASP . 4958 1 43 399 SER . 4958 1 44 400 ALA . 4958 1 45 401 ARG . 4958 1 46 402 PRO . 4958 1 47 403 PRO . 4958 1 48 404 ASP . 4958 1 49 405 CYS . 4958 1 50 406 THR . 4958 1 51 407 ALA . 4958 1 52 408 VAL . 4958 1 53 409 GLY . 4958 1 54 410 ARG . 4958 1 55 411 PRO . 4958 1 56 412 ASP . 4958 1 57 413 CYS . 4958 1 58 414 ASN . 4958 1 59 415 VAL . 4958 1 60 416 LEU . 4958 1 61 417 PRO . 4958 1 62 418 PHE . 4958 1 63 419 PRO . 4958 1 64 420 ASN . 4958 1 65 421 ASN . 4958 1 66 422 ILE . 4958 1 67 423 GLY . 4958 1 68 424 CYS . 4958 1 69 425 PRO . 4958 1 70 426 SER . 4958 1 71 427 CYS . 4958 1 72 428 CYS . 4958 1 73 429 PRO . 4958 1 74 430 PHE . 4958 1 75 431 GLU . 4958 1 76 432 CYS . 4958 1 77 433 SER . 4958 1 78 434 PRO . 4958 1 79 435 ASP . 4958 1 80 436 ASN . 4958 1 81 437 PRO . 4958 1 82 438 MET . 4958 1 83 439 PHE . 4958 1 84 440 THR . 4958 1 85 441 PRO . 4958 1 86 442 SER . 4958 1 87 443 PRO . 4958 1 88 444 ASP . 4958 1 89 445 GLY . 4958 1 90 446 SER . 4958 1 91 447 PRO . 4958 1 92 448 PRO . 4958 1 93 449 ASN . 4958 1 94 450 CYS . 4958 1 95 451 SER . 4958 1 96 452 PRO . 4958 1 97 453 THR . 4958 1 98 454 MET . 4958 1 99 455 LEU . 4958 1 100 456 PRO . 4958 1 101 457 SER . 4958 1 102 458 PRO . 4958 1 103 459 SER . 4958 1 104 460 PRO . 4958 1 105 461 SER . 4958 1 106 462 ALA . 4958 1 107 463 VAL . 4958 1 108 464 THR . 4958 1 109 465 VAL . 4958 1 110 466 PRO . 4958 1 111 467 LEU . 4958 1 112 468 THR . 4958 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 . SER 1 1 4958 1 . TYR 2 2 4958 1 . TYR 3 3 4958 1 . HIS 4 4 4958 1 . HIS 5 5 4958 1 . HIS 6 6 4958 1 . HIS 7 7 4958 1 . HIS 8 8 4958 1 . HIS 9 9 4958 1 . THR 10 10 4958 1 . MET 11 11 4958 1 . MET 12 12 4958 1 . PRO 13 13 4958 1 . SER 14 14 4958 1 . PRO 15 15 4958 1 . GLU 16 16 4958 1 . PRO 17 17 4958 1 . SER 18 18 4958 1 . SER 19 19 4958 1 . GLN 20 20 4958 1 . PRO 21 21 4958 1 . SER 22 22 4958 1 . ASP 23 23 4958 1 . CYS 24 24 4958 1 . GLY 25 25 4958 1 . GLU 26 26 4958 1 . VAL 27 27 4958 1 . ILE 28 28 4958 1 . GLU 29 29 4958 1 . GLU 30 30 4958 1 . CYS 31 31 4958 1 . PRO 32 32 4958 1 . ILE 33 33 4958 1 . ASP 34 34 4958 1 . ALA 35 35 4958 1 . CYS 36 36 4958 1 . PHE 37 37 4958 1 . LEU 38 38 4958 1 . PRO 39 39 4958 1 . LYS 40 40 4958 1 . SER 41 41 4958 1 . ASP 42 42 4958 1 . SER 43 43 4958 1 . ALA 44 44 4958 1 . ARG 45 45 4958 1 . PRO 46 46 4958 1 . PRO 47 47 4958 1 . ASP 48 48 4958 1 . CYS 49 49 4958 1 . THR 50 50 4958 1 . ALA 51 51 4958 1 . VAL 52 52 4958 1 . GLY 53 53 4958 1 . ARG 54 54 4958 1 . PRO 55 55 4958 1 . ASP 56 56 4958 1 . CYS 57 57 4958 1 . ASN 58 58 4958 1 . VAL 59 59 4958 1 . LEU 60 60 4958 1 . PRO 61 61 4958 1 . PHE 62 62 4958 1 . PRO 63 63 4958 1 . ASN 64 64 4958 1 . ASN 65 65 4958 1 . ILE 66 66 4958 1 . GLY 67 67 4958 1 . CYS 68 68 4958 1 . PRO 69 69 4958 1 . SER 70 70 4958 1 . CYS 71 71 4958 1 . CYS 72 72 4958 1 . PRO 73 73 4958 1 . PHE 74 74 4958 1 . GLU 75 75 4958 1 . CYS 76 76 4958 1 . SER 77 77 4958 1 . PRO 78 78 4958 1 . ASP 79 79 4958 1 . ASN 80 80 4958 1 . PRO 81 81 4958 1 . MET 82 82 4958 1 . PHE 83 83 4958 1 . THR 84 84 4958 1 . PRO 85 85 4958 1 . SER 86 86 4958 1 . PRO 87 87 4958 1 . ASP 88 88 4958 1 . GLY 89 89 4958 1 . SER 90 90 4958 1 . PRO 91 91 4958 1 . PRO 92 92 4958 1 . ASN 93 93 4958 1 . CYS 94 94 4958 1 . SER 95 95 4958 1 . PRO 96 96 4958 1 . THR 97 97 4958 1 . MET 98 98 4958 1 . LEU 99 99 4958 1 . PRO 100 100 4958 1 . SER 101 101 4958 1 . PRO 102 102 4958 1 . SER 103 103 4958 1 . PRO 104 104 4958 1 . SER 105 105 4958 1 . ALA 106 106 4958 1 . VAL 107 107 4958 1 . THR 108 108 4958 1 . VAL 109 109 4958 1 . PRO 110 110 4958 1 . LEU 111 111 4958 1 . THR 112 112 4958 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 4958 _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 $His6PSCD4 . 2853 organism . 'Cylindrotheca fusiformis' 'Cylindrotheca fusiformis' . . Eukaryota . Cylindrotheca fusiformis . . . . . . . . . . . . 'cell wall, pleural bands' . . . hepA . . . . 4958 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 4958 _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 $His6PSCD4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4958 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled _Sample.Sf_category sample _Sample.Sf_framecode unlabeled _Sample.Entry_ID 4958 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'pleuralin-1, formerly HEP200' . . . 1 $His6PSCD4 . . 0.8 . . mM . . . . 4958 1 stop_ save_ save_15N_labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N_labeled _Sample.Entry_ID 4958 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'pleuralin-1, formerly HEP200' '[U-97% 15N]' . . 1 $His6PSCD4 . . 0.8 . . mM . . . . 4958 2 stop_ save_ save_13C_15N_labeled _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_labeled _Sample.Entry_ID 4958 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'pleuralin-1, formerly HEP200' '[U-97% 13C; U-98% 15N]' . . 1 $His6PSCD4 . . 0.8 . . mM . . . . 4958 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4958 _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 pH 6.5 0.2 pH 4958 1 temperature 298 1.5 K 4958 1 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 4958 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4958 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4958 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 4958 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 4958 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 4958 _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 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 3 1H-15N-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 4 '1H-15N-NOESY HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 5 '1H-15N-TOCSY HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 7 HACACO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4958 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N-NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N-TOCSY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HACACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4958 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4958 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4958 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4958 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4958 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4958 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA . . . 4958 1 2 CBCA(CO)NH . . . 4958 1 3 1H-15N-HSQC . . . 4958 1 4 '1H-15N-NOESY HSQC' . . . 4958 1 5 '1H-15N-TOCSY HSQC' . . . 4958 1 6 HNCO . . . 4958 1 7 HACACO . . . 4958 1 8 HCCH-TOCSY . . . 4958 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 TYR C C 13 175.42 0.20 . 1 . . . . 2 Y C . 4958 1 2 . 1 1 2 2 TYR CA C 13 57.75 0.20 . 1 . . . . 2 Y CA . 4958 1 3 . 1 1 2 2 TYR CB C 13 40.12 0.20 . 1 . . . . 2 Y CB . 4958 1 4 . 1 1 3 3 TYR H H 1 7.64 0.02 . 1 . . . . 3 Y HN . 4958 1 5 . 1 1 3 3 TYR HA H 1 4.77 0.05 . 1 . . . . 3 Y HA . 4958 1 6 . 1 1 3 3 TYR C C 13 176.10 0.20 . 1 . . . . 3 Y C . 4958 1 7 . 1 1 3 3 TYR CA C 13 59.30 0.20 . 1 . . . . 3 Y CA . 4958 1 8 . 1 1 3 3 TYR N N 15 115.11 0.33 . 1 . . . . 3 Y N . 4958 1 9 . 1 1 5 5 HIS HA H 1 3.97 0.05 . 1 . . . . 5 H HA . 4958 1 10 . 1 1 5 5 HIS HB2 H 1 3.11 0.05 . 2 . . . . 5 H HB2 . 4958 1 11 . 1 1 5 5 HIS HB3 H 1 3.20 0.05 . 2 . . . . 5 H HB3 . 4958 1 12 . 1 1 5 5 HIS C C 13 176.39 0.20 . 1 . . . . 5 H C . 4958 1 13 . 1 1 5 5 HIS CA C 13 56.70 0.20 . 1 . . . . 5 H CA . 4958 1 14 . 1 1 5 5 HIS CB C 13 30.07 0.20 . 1 . . . . 5 H CB . 4958 1 15 . 1 1 8 8 HIS HA H 1 4.57 0.05 . 1 . . . . 8 H HA . 4958 1 16 . 1 1 8 8 HIS HB2 H 1 2.98 0.05 . 1 . . . . 8 H HB . 4958 1 17 . 1 1 8 8 HIS HB3 H 1 2.98 0.05 . 1 . . . . 8 H HB . 4958 1 18 . 1 1 8 8 HIS C C 13 173.92 0.20 . 1 . . . . 8 H C . 4958 1 19 . 1 1 8 8 HIS CA C 13 55.82 0.20 . 1 . . . . 8 H CA . 4958 1 20 . 1 1 8 8 HIS CB C 13 30.60 0.20 . 1 . . . . 8 H CB . 4958 1 21 . 1 1 9 9 HIS H H 1 8.35 0.02 . 1 . . . . 9 H HN . 4958 1 22 . 1 1 9 9 HIS HA H 1 4.65 0.05 . 1 . . . . 9 H HA . 4958 1 23 . 1 1 9 9 HIS HB2 H 1 3.08 0.05 . 1 . . . . 9 H HB . 4958 1 24 . 1 1 9 9 HIS HB3 H 1 3.08 0.05 . 1 . . . . 9 H HB . 4958 1 25 . 1 1 9 9 HIS C C 13 175.59 0.20 . 1 . . . . 9 H C . 4958 1 26 . 1 1 9 9 HIS CA C 13 56.17 0.20 . 1 . . . . 9 H CA . 4958 1 27 . 1 1 9 9 HIS CB C 13 30.74 0.20 . 1 . . . . 9 H CB . 4958 1 28 . 1 1 9 9 HIS N N 15 120.44 0.33 . 1 . . . . 9 H N . 4958 1 29 . 1 1 10 10 THR H H 1 8.12 0.02 . 1 . . . . 10 T HN . 4958 1 30 . 1 1 10 10 THR HA H 1 4.12 0.05 . 1 . . . . 10 T HA . 4958 1 31 . 1 1 10 10 THR HB H 1 4.02 0.05 . 1 . . . . 10 T HB . 4958 1 32 . 1 1 10 10 THR HG21 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 33 . 1 1 10 10 THR HG22 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 34 . 1 1 10 10 THR HG23 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 35 . 1 1 10 10 THR C C 13 172.91 0.20 . 1 . . . . 10 T C . 4958 1 36 . 1 1 10 10 THR CA C 13 61.36 0.20 . 1 . . . . 10 T CA . 4958 1 37 . 1 1 10 10 THR CB C 13 70.00 0.20 . 1 . . . . 10 T CB . 4958 1 38 . 1 1 10 10 THR CG2 C 13 21.20 0.20 . 1 . . . . 10 T CG2 . 4958 1 39 . 1 1 10 10 THR N N 15 114.95 0.33 . 1 . . . . 10 T N . 4958 1 40 . 1 1 11 11 MET H H 1 7.91 0.02 . 1 . . . . 11 M HN . 4958 1 41 . 1 1 11 11 MET HA H 1 4.15 0.05 . 1 . . . . 11 M HA . 4958 1 42 . 1 1 11 11 MET C C 13 175.61 0.20 . 1 . . . . 11 M C . 4958 1 43 . 1 1 11 11 MET CA C 13 58.74 0.20 . 1 . . . . 11 M CA . 4958 1 44 . 1 1 11 11 MET N N 15 120.41 0.33 . 1 . . . . 11 M N . 4958 1 45 . 1 1 12 12 MET H H 1 8.08 0.02 . 1 . . . . 12 M HN . 4958 1 46 . 1 1 12 12 MET CA C 13 52.83 0.20 . 1 . . . . 12 M CA . 4958 1 47 . 1 1 12 12 MET N N 15 123.73 0.33 . 1 . . . . 12 M N . 4958 1 48 . 1 1 13 13 PRO HA H 1 4.38 0.05 . 1 . . . . 13 P HA . 4958 1 49 . 1 1 13 13 PRO HB2 H 1 1.89 0.05 . 2 . . . . 13 P HB2 . 4958 1 50 . 1 1 13 13 PRO HB3 H 1 2.19 0.05 . 2 . . . . 13 P HB3 . 4958 1 51 . 1 1 13 13 PRO HG2 H 1 1.92 0.05 . 1 . . . . 13 P HG . 4958 1 52 . 1 1 13 13 PRO HG3 H 1 1.92 0.05 . 1 . . . . 13 P HG . 4958 1 53 . 1 1 13 13 PRO HD2 H 1 3.65 0.05 . 2 . . . . 13 P HD2 . 4958 1 54 . 1 1 13 13 PRO HD3 H 1 3.77 0.05 . 2 . . . . 13 P HD3 . 4958 1 55 . 1 1 13 13 PRO CA C 13 63.04 0.20 . 1 . . . . 13 P CA . 4958 1 56 . 1 1 13 13 PRO CB C 13 32.15 0.20 . 1 . . . . 13 P CB . 4958 1 57 . 1 1 13 13 PRO CG C 13 26.98 0.20 . 1 . . . . 13 P CG . 4958 1 58 . 1 1 13 13 PRO CD C 13 50.57 0.20 . 1 . . . . 13 P CD . 4958 1 59 . 1 1 14 14 SER H H 1 7.98 0.02 . 1 . . . . 14 S HN . 4958 1 60 . 1 1 14 14 SER HA H 1 4.39 0.05 . 1 . . . . 14 S HA . 4958 1 61 . 1 1 14 14 SER CA C 13 55.28 0.20 . 1 . . . . 14 S CA . 4958 1 62 . 1 1 14 14 SER CB C 13 65.53 0.20 . 1 . . . . 14 S CB . 4958 1 63 . 1 1 14 14 SER N N 15 114.78 0.33 . 1 . . . . 14 S N . 4958 1 64 . 1 1 15 15 PRO HA H 1 4.40 0.05 . 1 . . . . 15 P HA . 4958 1 65 . 1 1 15 15 PRO HB2 H 1 1.88 0.05 . 2 . . . . 15 P HB2 . 4958 1 66 . 1 1 15 15 PRO HB3 H 1 2.24 0.05 . 2 . . . . 15 P HB3 . 4958 1 67 . 1 1 15 15 PRO HG2 H 1 1.98 0.05 . 1 . . . . 15 P HG . 4958 1 68 . 1 1 15 15 PRO HG3 H 1 1.98 0.05 . 1 . . . . 15 P HG . 4958 1 69 . 1 1 15 15 PRO HD2 H 1 3.64 0.05 . 2 . . . . 15 P HD2 . 4958 1 70 . 1 1 15 15 PRO HD3 H 1 3.70 0.05 . 2 . . . . 15 P HD3 . 4958 1 71 . 1 1 15 15 PRO C C 13 177.97 0.20 . 1 . . . . 15 P C . 4958 1 72 . 1 1 15 15 PRO CA C 13 62.94 0.20 . 1 . . . . 15 P CA . 4958 1 73 . 1 1 15 15 PRO CB C 13 32.20 0.20 . 1 . . . . 15 P CB . 4958 1 74 . 1 1 15 15 PRO CG C 13 26.92 0.20 . 1 . . . . 15 P CG . 4958 1 75 . 1 1 15 15 PRO CD C 13 50.69 0.20 . 1 . . . . 15 P CD . 4958 1 76 . 1 1 16 16 GLU H H 1 8.08 0.02 . 1 . . . . 16 E HN . 4958 1 77 . 1 1 16 16 GLU HA H 1 3.80 0.05 . 1 . . . . 16 E HA . 4958 1 78 . 1 1 16 16 GLU HB2 H 1 2.11 0.05 . 2 . . . . 16 E HB2 . 4958 1 79 . 1 1 16 16 GLU HB3 H 1 2.18 0.05 . 2 . . . . 16 E HB3 . 4958 1 80 . 1 1 16 16 GLU HG2 H 1 2.63 0.05 . 1 . . . . 16 E HG . 4958 1 81 . 1 1 16 16 GLU HG3 H 1 2.63 0.05 . 1 . . . . 16 E HG . 4958 1 82 . 1 1 16 16 GLU CA C 13 55.18 0.20 . 1 . . . . 16 E CA . 4958 1 83 . 1 1 16 16 GLU CB C 13 31.00 0.20 . 1 . . . . 16 E CB . 4958 1 84 . 1 1 16 16 GLU CG C 13 31.79 0.20 . 1 . . . . 16 E CG . 4958 1 85 . 1 1 16 16 GLU CD C 13 177.06 0.20 . 1 . . . . 16 E CD . 4958 1 86 . 1 1 16 16 GLU N N 15 115.59 0.33 . 1 . . . . 16 E N . 4958 1 87 . 1 1 17 17 PRO HA H 1 4.46 0.05 . 9 . . . . 17 P HA . 4958 1 88 . 1 1 17 17 PRO HB2 H 1 1.95 0.05 . 9 . . . . 17 P HB2 . 4958 1 89 . 1 1 17 17 PRO HB3 H 1 2.32 0.05 . 9 . . . . 17 P HB3 . 4958 1 90 . 1 1 17 17 PRO HG2 H 1 1.91 0.05 . 9 . . . . 17 P HG . 4958 1 91 . 1 1 17 17 PRO HG3 H 1 1.91 0.05 . 9 . . . . 17 P HG . 4958 1 92 . 1 1 17 17 PRO HD2 H 1 3.75 0.05 . 9 . . . . 17 P HD2 . 4958 1 93 . 1 1 17 17 PRO HD3 H 1 3.85 0.05 . 9 . . . . 17 P HD3 . 4958 1 94 . 1 1 17 17 PRO C C 13 176.94 0.20 . 9 . . . . 17 P C . 4958 1 95 . 1 1 17 17 PRO CA C 13 63.35 0.20 . 9 . . . . 17 P CA . 4958 1 96 . 1 1 17 17 PRO CB C 13 32.27 0.20 . 9 . . . . 17 P CB . 4958 1 97 . 1 1 17 17 PRO CG C 13 26.89 0.20 . 9 . . . . 17 P CG . 4958 1 98 . 1 1 17 17 PRO CD C 13 48.88 0.20 . 9 . . . . 17 P CD . 4958 1 99 . 1 1 18 18 SER H H 1 8.43 0.02 . 9 . . . . 18 S HN . 4958 1 100 . 1 1 18 18 SER HA H 1 4.34 0.05 . 9 . . . . 18 S HA . 4958 1 101 . 1 1 18 18 SER HB2 H 1 3.80 0.05 . 9 . . . . 18 S HB . 4958 1 102 . 1 1 18 18 SER HB3 H 1 3.80 0.05 . 9 . . . . 18 S HB . 4958 1 103 . 1 1 18 18 SER C C 13 172.88 0.20 . 9 . . . . 18 S C . 4958 1 104 . 1 1 18 18 SER CA C 13 58.12 0.20 . 9 . . . . 18 S CA . 4958 1 105 . 1 1 18 18 SER CB C 13 63.43 0.20 . 9 . . . . 18 S CB . 4958 1 106 . 1 1 18 18 SER N N 15 115.75 0.33 . 9 . . . . 18 S N . 4958 1 107 . 1 1 19 19 SER H H 1 8.32 0.02 . 9 . . . . 19 S HN . 4958 1 108 . 1 1 19 19 SER HA H 1 4.40 0.05 . 9 . . . . 19 S HA . 4958 1 109 . 1 1 19 19 SER HB2 H 1 3.75 0.05 . 9 . . . . 19 S HB . 4958 1 110 . 1 1 19 19 SER HB3 H 1 3.75 0.05 . 9 . . . . 19 S HB . 4958 1 111 . 1 1 19 19 SER CA C 13 58.28 0.20 . 9 . . . . 19 S CA . 4958 1 112 . 1 1 19 19 SER CB C 13 63.82 0.20 . 9 . . . . 19 S CB . 4958 1 113 . 1 1 19 19 SER N N 15 117.04 0.33 . 9 . . . . 19 S N . 4958 1 114 . 1 1 20 20 GLN H H 1 8.30 0.02 . 1 . . . . 20 Q HN . 4958 1 115 . 1 1 20 20 GLN HA H 1 4.71 0.05 . 1 . . . . 20 Q HA . 4958 1 116 . 1 1 20 20 GLN HB2 H 1 1.98 0.05 . 2 . . . . 20 Q HB2 . 4958 1 117 . 1 1 20 20 GLN HB3 H 1 2.14 0.05 . 2 . . . . 20 Q HB3 . 4958 1 118 . 1 1 20 20 GLN HG2 H 1 2.40 0.05 . 1 . . . . 20 Q HG . 4958 1 119 . 1 1 20 20 GLN HG3 H 1 2.40 0.05 . 1 . . . . 20 Q HG . 4958 1 120 . 1 1 20 20 GLN HE21 H 1 7.56 0.05 . 2 . . . . 20 Q HE21 . 4958 1 121 . 1 1 20 20 GLN HE22 H 1 6.86 0.05 . 2 . . . . 20 Q HE22 . 4958 1 122 . 1 1 20 20 GLN C C 13 174.09 0.20 . 1 . . . . 20 Q C . 4958 1 123 . 1 1 20 20 GLN CA C 13 53.35 0.20 . 1 . . . . 20 Q CA . 4958 1 124 . 1 1 20 20 GLN CB C 13 29.13 0.20 . 1 . . . . 20 Q CB . 4958 1 125 . 1 1 20 20 GLN CG C 13 33.29 0.20 . 1 . . . . 20 Q CG . 4958 1 126 . 1 1 20 20 GLN CD C 13 180.45 0.20 . 1 . . . . 20 Q CD . 4958 1 127 . 1 1 20 20 GLN N N 15 122.50 0.33 . 1 . . . . 20 Q N . 4958 1 128 . 1 1 20 20 GLN NE2 N 15 111.74 0.33 . 1 . . . . 20 Q NE2 . 4958 1 129 . 1 1 21 21 PRO HA H 1 4.80 0.05 . 9 . . . . 21 P HA . 4958 1 130 . 1 1 21 21 PRO HB2 H 1 1.95 0.05 . 9 . . . . 21 P HB2 . 4958 1 131 . 1 1 21 21 PRO HB3 H 1 2.27 0.05 . 9 . . . . 21 P HB3 . 4958 1 132 . 1 1 21 21 PRO HG2 H 1 1.85 0.05 . 9 . . . . 21 P HG . 4958 1 133 . 1 1 21 21 PRO HG3 H 1 1.85 0.05 . 9 . . . . 21 P HG . 4958 1 134 . 1 1 21 21 PRO HD2 H 1 3.70 0.05 . 9 . . . . 21 P HD2 . 4958 1 135 . 1 1 21 21 PRO HD3 H 1 3.80 0.05 . 9 . . . . 21 P HD3 . 4958 1 136 . 1 1 21 21 PRO C C 13 177.07 0.20 . 9 . . . . 21 P C . 4958 1 137 . 1 1 21 21 PRO CA C 13 63.03 0.20 . 9 . . . . 21 P CA . 4958 1 138 . 1 1 21 21 PRO CB C 13 32.20 0.20 . 9 . . . . 21 P CB . 4958 1 139 . 1 1 21 21 PRO CG C 13 27.12 0.20 . 9 . . . . 21 P CG . 4958 1 140 . 1 1 21 21 PRO CD C 13 49.15 0.20 . 9 . . . . 21 P CD . 4958 1 141 . 1 1 22 22 SER H H 1 8.58 0.02 . 9 . . . . 22 S HN . 4958 1 142 . 1 1 22 22 SER HA H 1 4.40 0.05 . 9 . . . . 22 S HA . 4958 1 143 . 1 1 22 22 SER HB2 H 1 3.84 0.05 . 9 . . . . 22 S HB2 . 4958 1 144 . 1 1 22 22 SER HB3 H 1 3.93 0.05 . 9 . . . . 22 S HB3 . 4958 1 145 . 1 1 22 22 SER C C 13 174.28 0.20 . 9 . . . . 22 S C . 4958 1 146 . 1 1 22 22 SER CA C 13 58.66 0.20 . 9 . . . . 22 S CA . 4958 1 147 . 1 1 22 22 SER CB C 13 63.87 0.20 . 9 . . . . 22 S CB . 4958 1 148 . 1 1 22 22 SER N N 15 116.72 0.33 . 9 . . . . 22 S N . 4958 1 149 . 1 1 23 23 ASP H H 1 8.44 0.02 . 1 . . . . 23 D HN . 4958 1 150 . 1 1 23 23 ASP HA H 1 4.57 0.05 . 1 . . . . 23 D HA . 4958 1 151 . 1 1 23 23 ASP HB2 H 1 2.51 0.05 . 2 . . . . 23 D HB2 . 4958 1 152 . 1 1 23 23 ASP HB3 H 1 2.64 0.05 . 2 . . . . 23 D HB3 . 4958 1 153 . 1 1 23 23 ASP C C 13 176.72 0.20 . 1 . . . . 23 D C . 4958 1 154 . 1 1 23 23 ASP CA C 13 54.32 0.20 . 1 . . . . 23 D CA . 4958 1 155 . 1 1 23 23 ASP CB C 13 41.03 0.20 . 1 . . . . 23 D CB . 4958 1 156 . 1 1 23 23 ASP CG C 13 180.07 0.20 . 1 . . . . 23 D CG . 4958 1 157 . 1 1 23 23 ASP N N 15 121.85 0.33 . 1 . . . . 23 D N . 4958 1 158 . 1 1 24 24 CYS H H 1 8.32 0.02 . 1 . . . . 24 C HN . 4958 1 159 . 1 1 24 24 CYS HA H 1 4.52 0.05 . 1 . . . . 24 C HA . 4958 1 160 . 1 1 24 24 CYS HB2 H 1 3.04 0.05 . 2 . . . . 24 C HB2 . 4958 1 161 . 1 1 24 24 CYS HB3 H 1 3.17 0.05 . 2 . . . . 24 C HB3 . 4958 1 162 . 1 1 24 24 CYS C C 13 175.26 0.20 . 1 . . . . 24 C C . 4958 1 163 . 1 1 24 24 CYS CA C 13 56.88 0.20 . 1 . . . . 24 C CA . 4958 1 164 . 1 1 24 24 CYS CB C 13 40.83 0.20 . 1 . . . . 24 C CB . 4958 1 165 . 1 1 24 24 CYS N N 15 118.16 0.33 . 1 . . . . 24 C N . 4958 1 166 . 1 1 25 25 GLY H H 1 8.50 0.02 . 1 . . . . 25 G HN . 4958 1 167 . 1 1 25 25 GLY HA2 H 1 3.86 0.05 . 1 . . . . 25 G HA . 4958 1 168 . 1 1 25 25 GLY HA3 H 1 3.86 0.05 . 1 . . . . 25 G HA . 4958 1 169 . 1 1 25 25 GLY C C 13 174.86 0.20 . 1 . . . . 25 G C . 4958 1 170 . 1 1 25 25 GLY CA C 13 45.87 0.20 . 1 . . . . 25 G CA . 4958 1 171 . 1 1 25 25 GLY N N 15 109.17 0.33 . 1 . . . . 25 G N . 4958 1 172 . 1 1 26 26 GLU H H 1 8.00 0.02 . 1 . . . . 26 E HN . 4958 1 173 . 1 1 26 26 GLU HA H 1 4.34 0.05 . 1 . . . . 26 E HA . 4958 1 174 . 1 1 26 26 GLU HB2 H 1 2.08 0.05 . 1 . . . . 26 E HB . 4958 1 175 . 1 1 26 26 GLU HB3 H 1 2.08 0.05 . 1 . . . . 26 E HB . 4958 1 176 . 1 1 26 26 GLU HG2 H 1 2.18 0.05 . 1 . . . . 26 E HG . 4958 1 177 . 1 1 26 26 GLU HG3 H 1 2.18 0.05 . 1 . . . . 26 E HG . 4958 1 178 . 1 1 26 26 GLU C C 13 174.98 0.20 . 1 . . . . 26 E C . 4958 1 179 . 1 1 26 26 GLU CA C 13 55.83 0.20 . 1 . . . . 26 E CA . 4958 1 180 . 1 1 26 26 GLU CB C 13 33.13 0.20 . 1 . . . . 26 E CB . 4958 1 181 . 1 1 26 26 GLU CG C 13 35.90 0.20 . 1 . . . . 26 E CG . 4958 1 182 . 1 1 26 26 GLU N N 15 120.24 0.33 . 1 . . . . 26 E N . 4958 1 183 . 1 1 27 27 VAL H H 1 8.09 0.02 . 1 . . . . 27 V HN . 4958 1 184 . 1 1 27 27 VAL HA H 1 4.15 0.05 . 1 . . . . 27 V HA . 4958 1 185 . 1 1 27 27 VAL HB H 1 2.14 0.05 . 1 . . . . 27 V HB . 4958 1 186 . 1 1 27 27 VAL HG11 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 187 . 1 1 27 27 VAL HG12 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 188 . 1 1 27 27 VAL HG13 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 189 . 1 1 27 27 VAL HG21 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 190 . 1 1 27 27 VAL HG22 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 191 . 1 1 27 27 VAL HG23 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 192 . 1 1 27 27 VAL C C 13 176.19 0.20 . 1 . . . . 27 V C . 4958 1 193 . 1 1 27 27 VAL CA C 13 63.44 0.20 . 1 . . . . 27 V CA . 4958 1 194 . 1 1 27 27 VAL CB C 13 32.07 0.20 . 1 . . . . 27 V CB . 4958 1 195 . 1 1 27 27 VAL CG1 C 13 20.85 0.20 . 1 . . . . 27 V CG1 . 4958 1 196 . 1 1 27 27 VAL CG2 C 13 18.72 0.20 . 1 . . . . 27 V CG2 . 4958 1 197 . 1 1 27 27 VAL N N 15 120.70 0.33 . 1 . . . . 27 V N . 4958 1 198 . 1 1 28 28 ILE H H 1 8.02 0.02 . 1 . . . . 28 I HN . 4958 1 199 . 1 1 28 28 ILE HA H 1 4.27 0.05 . 1 . . . . 28 I HA . 4958 1 200 . 1 1 28 28 ILE HB H 1 1.81 0.05 . 1 . . . . 28 I HB . 4958 1 201 . 1 1 28 28 ILE HG12 H 1 1.18 0.05 . 2 . . . . 28 I HG12 . 4958 1 202 . 1 1 28 28 ILE HG13 H 1 1.46 0.05 . 2 . . . . 28 I HG13 . 4958 1 203 . 1 1 28 28 ILE HG21 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 204 . 1 1 28 28 ILE HG22 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 205 . 1 1 28 28 ILE HG23 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 206 . 1 1 28 28 ILE HD11 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 207 . 1 1 28 28 ILE HD12 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 208 . 1 1 28 28 ILE HD13 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 209 . 1 1 28 28 ILE C C 13 175.97 0.20 . 1 . . . . 28 I C . 4958 1 210 . 1 1 28 28 ILE CA C 13 60.15 0.20 . 1 . . . . 28 I CA . 4958 1 211 . 1 1 28 28 ILE CB C 13 38.59 0.20 . 1 . . . . 28 I CB . 4958 1 212 . 1 1 28 28 ILE CG1 C 13 26.79 0.20 . 1 . . . . 28 I CG1 . 4958 1 213 . 1 1 28 28 ILE CG2 C 13 17.65 0.20 . 1 . . . . 28 I CG2 . 4958 1 214 . 1 1 28 28 ILE CD1 C 13 12.04 0.20 . 1 . . . . 28 I CD1 . 4958 1 215 . 1 1 28 28 ILE N N 15 121.50 0.33 . 1 . . . . 28 I N . 4958 1 216 . 1 1 29 29 GLU H H 1 8.97 0.02 . 1 . . . . 29 E HN . 4958 1 217 . 1 1 29 29 GLU HA H 1 4.35 0.05 . 1 . . . . 29 E HA . 4958 1 218 . 1 1 29 29 GLU HB2 H 1 2.18 0.05 . 1 . . . . 29 E HB . 4958 1 219 . 1 1 29 29 GLU HB3 H 1 2.18 0.05 . 1 . . . . 29 E HB . 4958 1 220 . 1 1 29 29 GLU HG2 H 1 2.20 0.05 . 1 . . . . 29 E HG . 4958 1 221 . 1 1 29 29 GLU HG3 H 1 2.20 0.05 . 1 . . . . 29 E HG . 4958 1 222 . 1 1 29 29 GLU C C 13 176.68 0.20 . 1 . . . . 29 E C . 4958 1 223 . 1 1 29 29 GLU CA C 13 57.80 0.20 . 1 . . . . 29 E CA . 4958 1 224 . 1 1 29 29 GLU CB C 13 31.17 0.20 . 1 . . . . 29 E CB . 4958 1 225 . 1 1 29 29 GLU N N 15 130.50 0.33 . 1 . . . . 29 E N . 4958 1 226 . 1 1 30 30 GLU H H 1 8.37 0.02 . 1 . . . . 30 E HN . 4958 1 227 . 1 1 30 30 GLU HA H 1 4.56 0.05 . 1 . . . . 30 E HA . 4958 1 228 . 1 1 30 30 GLU HB2 H 1 1.94 0.05 . 2 . . . . 30 E HB2 . 4958 1 229 . 1 1 30 30 GLU HB3 H 1 2.01 0.05 . 2 . . . . 30 E HB3 . 4958 1 230 . 1 1 30 30 GLU HG2 H 1 2.28 0.05 . 1 . . . . 30 E HG . 4958 1 231 . 1 1 30 30 GLU HG3 H 1 2.28 0.05 . 1 . . . . 30 E HG . 4958 1 232 . 1 1 30 30 GLU C C 13 173.97 0.20 . 1 . . . . 30 E C . 4958 1 233 . 1 1 30 30 GLU CA C 13 55.16 0.20 . 1 . . . . 30 E CA . 4958 1 234 . 1 1 30 30 GLU CB C 13 33.08 0.20 . 1 . . . . 30 E CB . 4958 1 235 . 1 1 30 30 GLU N N 15 122.20 0.33 . 1 . . . . 30 E N . 4958 1 236 . 1 1 31 31 CYS H H 1 8.05 0.02 . 1 . . . . 31 C HN . 4958 1 237 . 1 1 31 31 CYS HA H 1 4.48 0.05 . 1 . . . . 31 C HA . 4958 1 238 . 1 1 31 31 CYS HB2 H 1 2.78 0.05 . 1 . . . . 31 C HB . 4958 1 239 . 1 1 31 31 CYS HB3 H 1 2.78 0.05 . 1 . . . . 31 C HB . 4958 1 240 . 1 1 31 31 CYS C C 13 174.95 0.20 . 1 . . . . 31 C C . 4958 1 241 . 1 1 31 31 CYS CA C 13 52.70 0.20 . 1 . . . . 31 C CA . 4958 1 242 . 1 1 31 31 CYS CB C 13 40.60 0.20 . 1 . . . . 31 C CB . 4958 1 243 . 1 1 31 31 CYS N N 15 123.94 0.33 . 1 . . . . 31 C N . 4958 1 244 . 1 1 32 32 PRO HA H 1 4.47 0.05 . 1 . . . . 32 P HA . 4958 1 245 . 1 1 32 32 PRO HB2 H 1 1.97 0.05 . 2 . . . . 32 P HB2 . 4958 1 246 . 1 1 32 32 PRO HB3 H 1 2.27 0.05 . 2 . . . . 32 P HB3 . 4958 1 247 . 1 1 32 32 PRO HG2 H 1 1.92 0.05 . 1 . . . . 32 P HG . 4958 1 248 . 1 1 32 32 PRO HG3 H 1 1.92 0.05 . 1 . . . . 32 P HG . 4958 1 249 . 1 1 32 32 PRO HD2 H 1 3.70 0.05 . 2 . . . . 32 P HD2 . 4958 1 250 . 1 1 32 32 PRO HD3 H 1 3.82 0.05 . 2 . . . . 32 P HD3 . 4958 1 251 . 1 1 32 32 PRO C C 13 175.71 0.20 . 1 . . . . 32 P C . 4958 1 252 . 1 1 32 32 PRO CA C 13 63.70 0.20 . 1 . . . . 32 P CA . 4958 1 253 . 1 1 32 32 PRO CB C 13 32.60 0.20 . 1 . . . . 32 P CB . 4958 1 254 . 1 1 32 32 PRO CG C 13 26.91 0.20 . 1 . . . . 32 P CG . 4958 1 255 . 1 1 32 32 PRO CD C 13 50.70 0.20 . 1 . . . . 32 P CD . 4958 1 256 . 1 1 33 33 ILE H H 1 8.02 0.02 . 1 . . . . 33 I HN . 4958 1 257 . 1 1 33 33 ILE HA H 1 4.31 0.05 . 1 . . . . 33 I HA . 4958 1 258 . 1 1 33 33 ILE HB H 1 1.76 0.05 . 1 . . . . 33 I HB . 4958 1 259 . 1 1 33 33 ILE HG12 H 1 0.95 0.05 . 2 . . . . 33 I HG12 . 4958 1 260 . 1 1 33 33 ILE HG13 H 1 1.32 0.05 . 2 . . . . 33 I HG13 . 4958 1 261 . 1 1 33 33 ILE HG21 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 262 . 1 1 33 33 ILE HG22 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 263 . 1 1 33 33 ILE HG23 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 264 . 1 1 33 33 ILE HD11 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 265 . 1 1 33 33 ILE HD12 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 266 . 1 1 33 33 ILE HD13 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 267 . 1 1 33 33 ILE C C 13 176.24 0.20 . 1 . . . . 33 I C . 4958 1 268 . 1 1 33 33 ILE CA C 13 59.45 0.20 . 1 . . . . 33 I CA . 4958 1 269 . 1 1 33 33 ILE CB C 13 39.37 0.20 . 1 . . . . 33 I CB . 4958 1 270 . 1 1 33 33 ILE CG1 C 13 26.54 0.20 . 1 . . . . 33 I CG1 . 4958 1 271 . 1 1 33 33 ILE CG2 C 13 17.38 0.20 . 1 . . . . 33 I CG2 . 4958 1 272 . 1 1 33 33 ILE CD1 C 13 13.10 0.20 . 1 . . . . 33 I CD1 . 4958 1 273 . 1 1 33 33 ILE N N 15 120.41 0.33 . 1 . . . . 33 I N . 4958 1 274 . 1 1 34 34 ASP H H 1 9.00 0.02 . 1 . . . . 34 D HN . 4958 1 275 . 1 1 34 34 ASP HA H 1 4.74 0.05 . 1 . . . . 34 D HA . 4958 1 276 . 1 1 34 34 ASP HB2 H 1 2.40 0.05 . 2 . . . . 34 D HB2 . 4958 1 277 . 1 1 34 34 ASP HB3 H 1 3.01 0.05 . 2 . . . . 34 D HB3 . 4958 1 278 . 1 1 34 34 ASP C C 13 178.05 0.20 . 1 . . . . 34 D C . 4958 1 279 . 1 1 34 34 ASP CA C 13 54.24 0.20 . 1 . . . . 34 D CA . 4958 1 280 . 1 1 34 34 ASP CB C 13 43.76 0.20 . 1 . . . . 34 D CB . 4958 1 281 . 1 1 34 34 ASP CG C 13 184.11 0.20 . 1 . . . . 34 D CG . 4958 1 282 . 1 1 34 34 ASP N N 15 130.69 0.33 . 1 . . . . 34 D N . 4958 1 283 . 1 1 35 35 ALA H H 1 8.90 0.02 . 1 . . . . 35 A HN . 4958 1 284 . 1 1 35 35 ALA HA H 1 4.78 0.05 . 1 . . . . 35 A HA . 4958 1 285 . 1 1 35 35 ALA HB1 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 286 . 1 1 35 35 ALA HB2 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 287 . 1 1 35 35 ALA HB3 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 288 . 1 1 35 35 ALA C C 13 177.94 0.20 . 1 . . . . 35 A C . 4958 1 289 . 1 1 35 35 ALA CA C 13 53.60 0.20 . 1 . . . . 35 A CA . 4958 1 290 . 1 1 35 35 ALA CB C 13 19.32 0.20 . 1 . . . . 35 A CB . 4958 1 291 . 1 1 35 35 ALA N N 15 124.42 0.33 . 1 . . . . 35 A N . 4958 1 292 . 1 1 36 36 CYS H H 1 7.65 0.02 . 1 . . . . 36 C HN . 4958 1 293 . 1 1 36 36 CYS HA H 1 4.25 0.05 . 1 . . . . 36 C HA . 4958 1 294 . 1 1 36 36 CYS HB2 H 1 2.35 0.05 . 2 . . . . 36 C HB2 . 4958 1 295 . 1 1 36 36 CYS HB3 H 1 3.30 0.05 . 2 . . . . 36 C HB3 . 4958 1 296 . 1 1 36 36 CYS C C 13 174.93 0.20 . 1 . . . . 36 C C . 4958 1 297 . 1 1 36 36 CYS CA C 13 57.85 0.20 . 1 . . . . 36 C CA . 4958 1 298 . 1 1 36 36 CYS CB C 13 38.53 0.20 . 1 . . . . 36 C CB . 4958 1 299 . 1 1 36 36 CYS N N 15 114.47 0.33 . 1 . . . . 36 C N . 4958 1 300 . 1 1 37 37 PHE H H 1 8.06 0.02 . 1 . . . . 37 F HN . 4958 1 301 . 1 1 37 37 PHE HA H 1 4.08 0.05 . 1 . . . . 37 F HA . 4958 1 302 . 1 1 37 37 PHE HB2 H 1 2.75 0.05 . 2 . . . . 37 F HB2 . 4958 1 303 . 1 1 37 37 PHE HB3 H 1 3.27 0.05 . 2 . . . . 37 F HB3 . 4958 1 304 . 1 1 37 37 PHE HD1 H 1 7.16 0.05 . 1 . . . . 37 F HD . 4958 1 305 . 1 1 37 37 PHE HD2 H 1 7.16 0.05 . 1 . . . . 37 F HD . 4958 1 306 . 1 1 37 37 PHE C C 13 174.60 0.20 . 1 . . . . 37 F C . 4958 1 307 . 1 1 37 37 PHE CA C 13 59.50 0.20 . 1 . . . . 37 F CA . 4958 1 308 . 1 1 37 37 PHE CB C 13 37.54 0.20 . 1 . . . . 37 F CB . 4958 1 309 . 1 1 37 37 PHE N N 15 117.04 0.33 . 1 . . . . 37 F N . 4958 1 310 . 1 1 38 38 LEU H H 1 7.15 0.02 . 1 . . . . 38 L HN . 4958 1 311 . 1 1 38 38 LEU HA H 1 4.42 0.05 . 1 . . . . 38 L HA . 4958 1 312 . 1 1 38 38 LEU HB2 H 1 1.46 0.05 . 2 . . . . 38 L HB2 . 4958 1 313 . 1 1 38 38 LEU HB3 H 1 1.72 0.05 . 2 . . . . 38 L HB3 . 4958 1 314 . 1 1 38 38 LEU HG H 1 1.17 0.05 . 1 . . . . 38 L HG . 4958 1 315 . 1 1 38 38 LEU HD11 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 316 . 1 1 38 38 LEU HD12 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 317 . 1 1 38 38 LEU HD13 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 318 . 1 1 38 38 LEU HD21 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 319 . 1 1 38 38 LEU HD22 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 320 . 1 1 38 38 LEU HD23 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 321 . 1 1 38 38 LEU CA C 13 53.64 0.20 . 1 . . . . 38 L CA . 4958 1 322 . 1 1 38 38 LEU CB C 13 40.87 0.20 . 1 . . . . 38 L CB . 4958 1 323 . 1 1 38 38 LEU CG C 13 26.45 0.20 . 1 . . . . 38 L CG . 4958 1 324 . 1 1 38 38 LEU CD1 C 13 24.85 0.20 . 1 . . . . 38 L CD . 4958 1 325 . 1 1 38 38 LEU CD2 C 13 24.85 0.20 . 1 . . . . 38 L CD . 4958 1 326 . 1 1 38 38 LEU N N 15 120.89 0.33 . 1 . . . . 38 L N . 4958 1 327 . 1 1 39 39 PRO HA H 1 4.33 0.05 . 1 . . . . 39 P HA . 4958 1 328 . 1 1 39 39 PRO HB2 H 1 1.83 0.05 . 2 . . . . 39 P HB2 . 4958 1 329 . 1 1 39 39 PRO HB3 H 1 2.35 0.05 . 2 . . . . 39 P HB3 . 4958 1 330 . 1 1 39 39 PRO HG2 H 1 2.09 0.05 . 1 . . . . 39 P HG . 4958 1 331 . 1 1 39 39 PRO HG3 H 1 2.09 0.05 . 1 . . . . 39 P HG . 4958 1 332 . 1 1 39 39 PRO HD2 H 1 3.63 0.05 . 2 . . . . 39 P HD2 . 4958 1 333 . 1 1 39 39 PRO HD3 H 1 3.84 0.05 . 2 . . . . 39 P HD3 . 4958 1 334 . 1 1 39 39 PRO C C 13 177.95 0.20 . 1 . . . . 39 P C . 4958 1 335 . 1 1 39 39 PRO CA C 13 62.30 0.20 . 1 . . . . 39 P CA . 4958 1 336 . 1 1 39 39 PRO CB C 13 32.20 0.20 . 1 . . . . 39 P CB . 4958 1 337 . 1 1 39 39 PRO CG C 13 27.65 0.20 . 1 . . . . 39 P CG . 4958 1 338 . 1 1 39 39 PRO CD C 13 49.50 0.20 . 1 . . . . 39 P CD . 4958 1 339 . 1 1 40 40 LYS H H 1 8.67 0.02 . 1 . . . . 40 K HN . 4958 1 340 . 1 1 40 40 LYS HA H 1 3.86 0.05 . 1 . . . . 40 K HA . 4958 1 341 . 1 1 40 40 LYS HB2 H 1 1.75 0.05 . 2 . . . . 40 K HB2 . 4958 1 342 . 1 1 40 40 LYS HB3 H 1 1.89 0.05 . 2 . . . . 40 K HB3 . 4958 1 343 . 1 1 40 40 LYS HG2 H 1 1.27 0.05 . 2 . . . . 40 K HG2 . 4958 1 344 . 1 1 40 40 LYS HG3 H 1 1.60 0.05 . 2 . . . . 40 K HG3 . 4958 1 345 . 1 1 40 40 LYS HD2 H 1 1.70 0.05 . 1 . . . . 40 K HD . 4958 1 346 . 1 1 40 40 LYS HD3 H 1 1.70 0.05 . 1 . . . . 40 K HD . 4958 1 347 . 1 1 40 40 LYS HE2 H 1 2.96 0.05 . 1 . . . . 40 K HE . 4958 1 348 . 1 1 40 40 LYS HE3 H 1 2.96 0.05 . 1 . . . . 40 K HE . 4958 1 349 . 1 1 40 40 LYS HZ1 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 350 . 1 1 40 40 LYS HZ2 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 351 . 1 1 40 40 LYS HZ3 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 352 . 1 1 40 40 LYS C C 13 176.92 0.20 . 1 . . . . 40 K C . 4958 1 353 . 1 1 40 40 LYS CA C 13 59.32 0.20 . 1 . . . . 40 K CA . 4958 1 354 . 1 1 40 40 LYS CB C 13 31.67 0.20 . 1 . . . . 40 K CB . 4958 1 355 . 1 1 40 40 LYS CG C 13 26.45 0.20 . 1 . . . . 40 K CG . 4958 1 356 . 1 1 40 40 LYS CD C 13 28.35 0.20 . 1 . . . . 40 K CD . 4958 1 357 . 1 1 40 40 LYS CE C 13 41.41 0.20 . 1 . . . . 40 K CE . 4958 1 358 . 1 1 40 40 LYS N N 15 118.96 0.33 . 1 . . . . 40 K N . 4958 1 359 . 1 1 41 41 SER H H 1 7.57 0.02 . 1 . . . . 41 S HN . 4958 1 360 . 1 1 41 41 SER HA H 1 4.23 0.05 . 1 . . . . 41 S HA . 4958 1 361 . 1 1 41 41 SER HB2 H 1 3.76 0.05 . 2 . . . . 41 S HB2 . 4958 1 362 . 1 1 41 41 SER HB3 H 1 4.07 0.05 . 2 . . . . 41 S HB3 . 4958 1 363 . 1 1 41 41 SER HG H 1 4.74 0.05 . 1 . . . . 41 S HG . 4958 1 364 . 1 1 41 41 SER C C 13 174.09 0.20 . 1 . . . . 41 S C . 4958 1 365 . 1 1 41 41 SER CA C 13 57.86 0.20 . 1 . . . . 41 S CA . 4958 1 366 . 1 1 41 41 SER CB C 13 63.21 0.20 . 1 . . . . 41 S CB . 4958 1 367 . 1 1 41 41 SER N N 15 109.65 0.33 . 1 . . . . 41 S N . 4958 1 368 . 1 1 42 42 ASP H H 1 7.98 0.02 . 1 . . . . 42 D HN . 4958 1 369 . 1 1 42 42 ASP HA H 1 4.55 0.05 . 1 . . . . 42 D HA . 4958 1 370 . 1 1 42 42 ASP HB2 H 1 2.40 0.05 . 2 . . . . 42 D HB2 . 4958 1 371 . 1 1 42 42 ASP HB3 H 1 3.01 0.05 . 2 . . . . 42 D HB3 . 4958 1 372 . 1 1 42 42 ASP C C 13 178.16 0.20 . 1 . . . . 42 D C . 4958 1 373 . 1 1 42 42 ASP CA C 13 54.52 0.20 . 1 . . . . 42 D CA . 4958 1 374 . 1 1 42 42 ASP CB C 13 43.90 0.20 . 1 . . . . 42 D CB . 4958 1 375 . 1 1 42 42 ASP CG C 13 178.96 0.20 . 1 . . . . 42 D CG . 4958 1 376 . 1 1 42 42 ASP N N 15 125.71 0.33 . 1 . . . . 42 D N . 4958 1 377 . 1 1 43 43 SER H H 1 8.95 0.02 . 1 . . . . 43 S HN . 4958 1 378 . 1 1 43 43 SER HA H 1 4.17 0.05 . 1 . . . . 43 S HA . 4958 1 379 . 1 1 43 43 SER HB2 H 1 3.95 0.05 . 1 . . . . 43 S HB . 4958 1 380 . 1 1 43 43 SER HB3 H 1 3.95 0.05 . 1 . . . . 43 S HB . 4958 1 381 . 1 1 43 43 SER C C 13 174.50 0.20 . 1 . . . . 43 S C . 4958 1 382 . 1 1 43 43 SER CA C 13 60.80 0.20 . 1 . . . . 43 S CA . 4958 1 383 . 1 1 43 43 SER CB C 13 63.06 0.20 . 1 . . . . 43 S CB . 4958 1 384 . 1 1 43 43 SER N N 15 125.07 0.33 . 1 . . . . 43 S N . 4958 1 385 . 1 1 44 44 ALA H H 1 9.40 0.02 . 1 . . . . 44 A HN . 4958 1 386 . 1 1 44 44 ALA HA H 1 4.26 0.05 . 1 . . . . 44 A HA . 4958 1 387 . 1 1 44 44 ALA HB1 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 388 . 1 1 44 44 ALA HB2 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 389 . 1 1 44 44 ALA HB3 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 390 . 1 1 44 44 ALA C C 13 177.63 0.20 . 1 . . . . 44 A C . 4958 1 391 . 1 1 44 44 ALA CA C 13 51.75 0.20 . 1 . . . . 44 A CA . 4958 1 392 . 1 1 44 44 ALA CB C 13 19.34 0.20 . 1 . . . . 44 A CB . 4958 1 393 . 1 1 44 44 ALA N N 15 124.10 0.33 . 1 . . . . 44 A N . 4958 1 394 . 1 1 45 45 ARG H H 1 7.65 0.02 . 1 . . . . 45 R HN . 4958 1 395 . 1 1 45 45 ARG HA H 1 4.16 0.05 . 1 . . . . 45 R HA . 4958 1 396 . 1 1 45 45 ARG HB2 H 1 1.57 0.05 . 2 . . . . 45 R HB2 . 4958 1 397 . 1 1 45 45 ARG HB3 H 1 1.78 0.05 . 2 . . . . 45 R HB3 . 4958 1 398 . 1 1 45 45 ARG HG2 H 1 1.87 0.05 . 2 . . . . 45 R HG2 . 4958 1 399 . 1 1 45 45 ARG HG3 H 1 2.28 0.05 . 2 . . . . 45 R HG3 . 4958 1 400 . 1 1 45 45 ARG HD2 H 1 2.98 0.05 . 1 . . . . 45 R HD . 4958 1 401 . 1 1 45 45 ARG HD3 H 1 2.98 0.05 . 1 . . . . 45 R HD . 4958 1 402 . 1 1 45 45 ARG HE H 1 6.75 0.05 . 1 . . . . 45 R HE . 4958 1 403 . 1 1 45 45 ARG C C 13 174.80 0.20 . 1 . . . . 45 R C . 4958 1 404 . 1 1 45 45 ARG CA C 13 54.98 0.20 . 1 . . . . 45 R CA . 4958 1 405 . 1 1 45 45 ARG CB C 13 30.73 0.20 . 1 . . . . 45 R CB . 4958 1 406 . 1 1 45 45 ARG CG C 13 27.52 0.20 . 1 . . . . 45 R CG . 4958 1 407 . 1 1 45 45 ARG CD C 13 43.01 0.20 . 1 . . . . 45 R CD . 4958 1 408 . 1 1 45 45 ARG CZ C 13 159.21 0.20 . 1 . . . . 45 R CZ . 4958 1 409 . 1 1 45 45 ARG N N 15 122.82 0.33 . 1 . . . . 45 R N . 4958 1 410 . 1 1 45 45 ARG NE N 15 127.48 0.33 . 1 . . . . 45 R NE . 4958 1 411 . 1 1 46 46 PRO HA H 1 4.52 0.05 . 1 . . . . 46 P HA . 4958 1 412 . 1 1 46 46 PRO HB2 H 1 1.88 0.05 . 2 . . . . 46 P HB2 . 4958 1 413 . 1 1 46 46 PRO HB3 H 1 2.28 0.05 . 2 . . . . 46 P HB3 . 4958 1 414 . 1 1 46 46 PRO HD2 H 1 2.94 0.05 . 2 . . . . 46 P HD2 . 4958 1 415 . 1 1 46 46 PRO HD3 H 1 3.92 0.05 . 2 . . . . 46 P HD3 . 4958 1 416 . 1 1 46 46 PRO CA C 13 61.17 0.20 . 1 . . . . 46 P CA . 4958 1 417 . 1 1 46 46 PRO CB C 13 29.12 0.20 . 1 . . . . 46 P CB . 4958 1 418 . 1 1 46 46 PRO CD C 13 50.49 0.20 . 1 . . . . 46 P CD . 4958 1 419 . 1 1 47 47 PRO HA H 1 4.39 0.05 . 1 . . . . 47 P HA . 4958 1 420 . 1 1 47 47 PRO HB2 H 1 1.85 0.05 . 2 . . . . 47 P HB2 . 4958 1 421 . 1 1 47 47 PRO HB3 H 1 2.21 0.05 . 2 . . . . 47 P HB3 . 4958 1 422 . 1 1 47 47 PRO HG2 H 1 1.95 0.05 . 1 . . . . 47 P HG . 4958 1 423 . 1 1 47 47 PRO HG3 H 1 1.95 0.05 . 1 . . . . 47 P HG . 4958 1 424 . 1 1 47 47 PRO HD2 H 1 3.59 0.05 . 2 . . . . 47 P HD2 . 4958 1 425 . 1 1 47 47 PRO HD3 H 1 3.75 0.05 . 2 . . . . 47 P HD3 . 4958 1 426 . 1 1 47 47 PRO C C 13 177.36 0.20 . 1 . . . . 47 P C . 4958 1 427 . 1 1 47 47 PRO CA C 13 61.13 0.20 . 1 . . . . 47 P CA . 4958 1 428 . 1 1 47 47 PRO CB C 13 31.95 0.20 . 1 . . . . 47 P CB . 4958 1 429 . 1 1 47 47 PRO CG C 13 26.99 0.20 . 1 . . . . 47 P CG . 4958 1 430 . 1 1 47 47 PRO CD C 13 48.88 0.20 . 1 . . . . 47 P CD . 4958 1 431 . 1 1 48 48 ASP H H 1 8.75 0.02 . 1 . . . . 48 D HN . 4958 1 432 . 1 1 48 48 ASP HA H 1 5.15 0.05 . 1 . . . . 48 D HA . 4958 1 433 . 1 1 48 48 ASP HB2 H 1 2.44 0.05 . 2 . . . . 48 D HB2 . 4958 1 434 . 1 1 48 48 ASP HB3 H 1 2.89 0.05 . 2 . . . . 48 D HB3 . 4958 1 435 . 1 1 48 48 ASP C C 13 178.45 0.20 . 1 . . . . 48 D C . 4958 1 436 . 1 1 48 48 ASP CA C 13 54.92 0.20 . 1 . . . . 48 D CA . 4958 1 437 . 1 1 48 48 ASP CB C 13 39.64 0.20 . 1 . . . . 48 D CB . 4958 1 438 . 1 1 48 48 ASP CG C 13 178.35 0.20 . 1 . . . . 48 D CG . 4958 1 439 . 1 1 48 48 ASP N N 15 120.73 0.33 . 1 . . . . 48 D N . 4958 1 440 . 1 1 49 49 CYS H H 1 8.03 0.02 . 1 . . . . 49 C HN . 4958 1 441 . 1 1 49 49 CYS HA H 1 4.25 0.05 . 1 . . . . 49 C HA . 4958 1 442 . 1 1 49 49 CYS HB2 H 1 2.33 0.05 . 2 . . . . 49 C HB2 . 4958 1 443 . 1 1 49 49 CYS HB3 H 1 3.31 0.05 . 2 . . . . 49 C HB3 . 4958 1 444 . 1 1 49 49 CYS C C 13 176.84 0.20 . 1 . . . . 49 C C . 4958 1 445 . 1 1 49 49 CYS CA C 13 57.54 0.20 . 1 . . . . 49 C CA . 4958 1 446 . 1 1 49 49 CYS CB C 13 39.95 0.20 . 1 . . . . 49 C CB . 4958 1 447 . 1 1 49 49 CYS N N 15 122.34 0.33 . 1 . . . . 49 C N . 4958 1 448 . 1 1 50 50 THR H H 1 8.57 0.02 . 1 . . . . 50 T HN . 4958 1 449 . 1 1 50 50 THR HA H 1 3.63 0.05 . 1 . . . . 50 T HA . 4958 1 450 . 1 1 50 50 THR HB H 1 4.27 0.05 . 1 . . . . 50 T HB . 4958 1 451 . 1 1 50 50 THR HG21 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 452 . 1 1 50 50 THR HG22 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 453 . 1 1 50 50 THR HG23 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 454 . 1 1 50 50 THR C C 13 176.75 0.20 . 1 . . . . 50 T C . 4958 1 455 . 1 1 50 50 THR CA C 13 65.00 0.20 . 1 . . . . 50 T CA . 4958 1 456 . 1 1 50 50 THR CB C 13 66.64 0.20 . 1 . . . . 50 T CB . 4958 1 457 . 1 1 50 50 THR CG2 C 13 22.18 0.20 . 1 . . . . 50 T CG2 . 4958 1 458 . 1 1 50 50 THR N N 15 109.49 0.33 . 1 . . . . 50 T N . 4958 1 459 . 1 1 51 51 ALA H H 1 7.15 0.02 . 1 . . . . 51 A HN . 4958 1 460 . 1 1 51 51 ALA HA H 1 4.39 0.05 . 1 . . . . 51 A HA . 4958 1 461 . 1 1 51 51 ALA HB1 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 462 . 1 1 51 51 ALA HB2 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 463 . 1 1 51 51 ALA HB3 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 464 . 1 1 51 51 ALA C C 13 178.70 0.20 . 1 . . . . 51 A C . 4958 1 465 . 1 1 51 51 ALA CA C 13 53.98 0.20 . 1 . . . . 51 A CA . 4958 1 466 . 1 1 51 51 ALA CB C 13 19.63 0.20 . 1 . . . . 51 A CB . 4958 1 467 . 1 1 51 51 ALA N N 15 124.26 0.33 . 1 . . . . 51 A N . 4958 1 468 . 1 1 52 52 VAL H H 1 7.01 0.02 . 1 . . . . 52 V HN . 4958 1 469 . 1 1 52 52 VAL HA H 1 4.69 0.05 . 1 . . . . 52 V HA . 4958 1 470 . 1 1 52 52 VAL HB H 1 2.59 0.05 . 1 . . . . 52 V HB . 4958 1 471 . 1 1 52 52 VAL HG11 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 472 . 1 1 52 52 VAL HG12 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 473 . 1 1 52 52 VAL HG13 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 474 . 1 1 52 52 VAL HG21 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 475 . 1 1 52 52 VAL HG22 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 476 . 1 1 52 52 VAL HG23 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 477 . 1 1 52 52 VAL C C 13 176.06 0.20 . 1 . . . . 52 V C . 4958 1 478 . 1 1 52 52 VAL CA C 13 59.81 0.20 . 1 . . . . 52 V CA . 4958 1 479 . 1 1 52 52 VAL CB C 13 30.65 0.20 . 1 . . . . 52 V CB . 4958 1 480 . 1 1 52 52 VAL CG1 C 13 21.14 0.20 . 1 . . . . 52 V CG1 . 4958 1 481 . 1 1 52 52 VAL CG2 C 13 18.44 0.20 . 1 . . . . 52 V CG2 . 4958 1 482 . 1 1 52 52 VAL N N 15 108.20 0.33 . 1 . . . . 52 V N . 4958 1 483 . 1 1 53 53 GLY H H 1 7.50 0.02 . 1 . . . . 53 G HN . 4958 1 484 . 1 1 53 53 GLY HA2 H 1 3.88 0.05 . 2 . . . . 53 G HA2 . 4958 1 485 . 1 1 53 53 GLY HA3 H 1 4.01 0.05 . 2 . . . . 53 G HA3 . 4958 1 486 . 1 1 53 53 GLY C C 13 174.07 0.20 . 1 . . . . 53 G C . 4958 1 487 . 1 1 53 53 GLY CA C 13 46.22 0.20 . 1 . . . . 53 G CA . 4958 1 488 . 1 1 53 53 GLY N N 15 106.92 0.33 . 1 . . . . 53 G N . 4958 1 489 . 1 1 54 54 ARG H H 1 7.69 0.02 . 1 . . . . 54 R HN . 4958 1 490 . 1 1 54 54 ARG HA H 1 5.12 0.05 . 1 . . . . 54 R HA . 4958 1 491 . 1 1 54 54 ARG HB2 H 1 1.51 0.05 . 2 . . . . 54 R HB2 . 4958 1 492 . 1 1 54 54 ARG HB3 H 1 1.80 0.05 . 2 . . . . 54 R HB3 . 4958 1 493 . 1 1 54 54 ARG HG2 H 1 1.43 0.05 . 1 . . . . 54 R HG . 4958 1 494 . 1 1 54 54 ARG HG3 H 1 1.43 0.05 . 1 . . . . 54 R HG . 4958 1 495 . 1 1 54 54 ARG HD2 H 1 3.41 0.05 . 1 . . . . 54 R HD . 4958 1 496 . 1 1 54 54 ARG HD3 H 1 3.41 0.05 . 1 . . . . 54 R HD . 4958 1 497 . 1 1 54 54 ARG HE H 1 9.22 0.05 . 1 . . . . 54 R HE . 4958 1 498 . 1 1 54 54 ARG C C 13 174.22 0.20 . 1 . . . . 54 R C . 4958 1 499 . 1 1 54 54 ARG CA C 13 49.45 0.20 . 1 . . . . 54 R CA . 4958 1 500 . 1 1 54 54 ARG CB C 13 28.06 0.20 . 1 . . . . 54 R CB . 4958 1 501 . 1 1 54 54 ARG CG C 13 24.32 0.20 . 1 . . . . 54 R CG . 4958 1 502 . 1 1 54 54 ARG CD C 13 39.27 0.20 . 1 . . . . 54 R CD . 4958 1 503 . 1 1 54 54 ARG CZ C 13 159.05 0.20 . 1 . . . . 54 R CZ . 4958 1 504 . 1 1 54 54 ARG N N 15 113.66 0.33 . 1 . . . . 54 R N . 4958 1 505 . 1 1 54 54 ARG NE N 15 124.58 0.33 . 1 . . . . 54 R NE . 4958 1 506 . 1 1 55 55 PRO HA H 1 4.09 0.05 . 1 . . . . 55 P HA . 4958 1 507 . 1 1 55 55 PRO HB2 H 1 2.14 0.05 . 2 . . . . 55 P HB2 . 4958 1 508 . 1 1 55 55 PRO HB3 H 1 2.28 0.05 . 2 . . . . 55 P HB3 . 4958 1 509 . 1 1 55 55 PRO HG2 H 1 1.98 0.05 . 2 . . . . 55 P HG2 . 4958 1 510 . 1 1 55 55 PRO HG3 H 1 2.03 0.05 . 2 . . . . 55 P HG3 . 4958 1 511 . 1 1 55 55 PRO HD2 H 1 3.74 0.05 . 2 . . . . 55 P HD2 . 4958 1 512 . 1 1 55 55 PRO HD3 H 1 3.81 0.05 . 2 . . . . 55 P HD3 . 4958 1 513 . 1 1 55 55 PRO C C 13 177.98 0.20 . 1 . . . . 55 P C . 4958 1 514 . 1 1 55 55 PRO CA C 13 64.97 0.20 . 1 . . . . 55 P CA . 4958 1 515 . 1 1 55 55 PRO CB C 13 31.07 0.20 . 1 . . . . 55 P CB . 4958 1 516 . 1 1 55 55 PRO CG C 13 26.95 0.20 . 1 . . . . 55 P CG . 4958 1 517 . 1 1 55 55 PRO CD C 13 49.95 0.20 . 1 . . . . 55 P CD . 4958 1 518 . 1 1 56 56 ASP H H 1 9.55 0.02 . 1 . . . . 56 D HN . 4958 1 519 . 1 1 56 56 ASP HA H 1 4.14 0.05 . 1 . . . . 56 D HA . 4958 1 520 . 1 1 56 56 ASP HB2 H 1 2.50 0.05 . 2 . . . . 56 D HB2 . 4958 1 521 . 1 1 56 56 ASP HB3 H 1 2.74 0.05 . 2 . . . . 56 D HB3 . 4958 1 522 . 1 1 56 56 ASP C C 13 175.48 0.20 . 1 . . . . 56 D C . 4958 1 523 . 1 1 56 56 ASP CA C 13 54.62 0.20 . 1 . . . . 56 D CA . 4958 1 524 . 1 1 56 56 ASP CB C 13 37.10 0.20 . 1 . . . . 56 D CB . 4958 1 525 . 1 1 56 56 ASP CG C 13 181.70 0.20 . 1 . . . . 56 D CG . 4958 1 526 . 1 1 56 56 ASP N N 15 116.72 0.33 . 1 . . . . 56 D N . 4958 1 527 . 1 1 57 57 CYS H H 1 7.41 0.02 . 1 . . . . 57 C HN . 4958 1 528 . 1 1 57 57 CYS HA H 1 4.28 0.05 . 1 . . . . 57 C HA . 4958 1 529 . 1 1 57 57 CYS HB2 H 1 3.02 0.05 . 2 . . . . 57 C HB2 . 4958 1 530 . 1 1 57 57 CYS HB3 H 1 3.30 0.05 . 2 . . . . 57 C HB3 . 4958 1 531 . 1 1 57 57 CYS C C 13 172.65 0.20 . 1 . . . . 57 C C . 4958 1 532 . 1 1 57 57 CYS CA C 13 56.90 0.20 . 1 . . . . 57 C CA . 4958 1 533 . 1 1 57 57 CYS CB C 13 43.60 0.20 . 1 . . . . 57 C CB . 4958 1 534 . 1 1 57 57 CYS N N 15 115.11 0.33 . 1 . . . . 57 C N . 4958 1 535 . 1 1 58 58 ASN H H 1 7.30 0.02 . 1 . . . . 58 N HN . 4958 1 536 . 1 1 58 58 ASN HA H 1 4.70 0.05 . 1 . . . . 58 N HA . 4958 1 537 . 1 1 58 58 ASN HB2 H 1 2.19 0.05 . 2 . . . . 58 N HB2 . 4958 1 538 . 1 1 58 58 ASN HB3 H 1 3.28 0.05 . 2 . . . . 58 N HB3 . 4958 1 539 . 1 1 58 58 ASN HD21 H 1 7.97 0.05 . 2 . . . . 58 N HD21 . 4958 1 540 . 1 1 58 58 ASN HD22 H 1 6.71 0.05 . 2 . . . . 58 N HD22 . 4958 1 541 . 1 1 58 58 ASN C C 13 177.50 0.20 . 1 . . . . 58 N C . 4958 1 542 . 1 1 58 58 ASN CA C 13 52.25 0.20 . 1 . . . . 58 N CA . 4958 1 543 . 1 1 58 58 ASN CB C 13 37.68 0.20 . 1 . . . . 58 N CB . 4958 1 544 . 1 1 58 58 ASN CG C 13 177.30 0.20 . 1 . . . . 58 N CG . 4958 1 545 . 1 1 58 58 ASN N N 15 118.00 0.33 . 1 . . . . 58 N N . 4958 1 546 . 1 1 58 58 ASN ND2 N 15 113.34 0.33 . 1 . . . . 58 N ND2 . 4958 1 547 . 1 1 59 59 VAL H H 1 8.06 0.02 . 1 . . . . 59 V HN . 4958 1 548 . 1 1 59 59 VAL HA H 1 4.34 0.05 . 1 . . . . 59 V HA . 4958 1 549 . 1 1 59 59 VAL HB H 1 1.91 0.05 . 1 . . . . 59 V HB . 4958 1 550 . 1 1 59 59 VAL HG11 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 551 . 1 1 59 59 VAL HG12 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 552 . 1 1 59 59 VAL HG13 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 553 . 1 1 59 59 VAL HG21 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 554 . 1 1 59 59 VAL HG22 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 555 . 1 1 59 59 VAL HG23 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 556 . 1 1 59 59 VAL C C 13 171.02 0.20 . 1 . . . . 59 V C . 4958 1 557 . 1 1 59 59 VAL CA C 13 60.54 0.20 . 1 . . . . 59 V CA . 4958 1 558 . 1 1 59 59 VAL CB C 13 35.50 0.20 . 1 . . . . 59 V CB . 4958 1 559 . 1 1 59 59 VAL CG1 C 13 20.05 0.20 . 1 . . . . 59 V CG1 . 4958 1 560 . 1 1 59 59 VAL CG2 C 13 20.05 0.20 . 1 . . . . 59 V CG2 . 4958 1 561 . 1 1 59 59 VAL N N 15 119.28 0.33 . 1 . . . . 59 V N . 4958 1 562 . 1 1 60 60 LEU H H 1 7.65 0.02 . 1 . . . . 60 L HN . 4958 1 563 . 1 1 60 60 LEU HA H 1 4.77 0.05 . 1 . . . . 60 L HA . 4958 1 564 . 1 1 60 60 LEU HB2 H 1 1.28 0.05 . 2 . . . . 60 L HB2 . 4958 1 565 . 1 1 60 60 LEU HB3 H 1 1.64 0.05 . 2 . . . . 60 L HB3 . 4958 1 566 . 1 1 60 60 LEU HG H 1 1.70 0.05 . 1 . . . . 60 L HG . 4958 1 567 . 1 1 60 60 LEU HD11 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 568 . 1 1 60 60 LEU HD12 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 569 . 1 1 60 60 LEU HD13 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 570 . 1 1 60 60 LEU HD21 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 571 . 1 1 60 60 LEU HD22 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 572 . 1 1 60 60 LEU HD23 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 573 . 1 1 60 60 LEU C C 13 176.60 0.20 . 1 . . . . 60 L C . 4958 1 574 . 1 1 60 60 LEU CA C 13 51.42 0.20 . 1 . . . . 60 L CA . 4958 1 575 . 1 1 60 60 LEU CB C 13 43.54 0.20 . 1 . . . . 60 L CB . 4958 1 576 . 1 1 60 60 LEU CG C 13 26.99 0.20 . 1 . . . . 60 L CG . 4958 1 577 . 1 1 60 60 LEU CD1 C 13 23.78 0.20 . 1 . . . . 60 L CD1 . 4958 1 578 . 1 1 60 60 LEU CD2 C 13 25.39 0.20 . 1 . . . . 60 L CD2 . 4958 1 579 . 1 1 60 60 LEU N N 15 118.32 0.33 . 1 . . . . 60 L N . 4958 1 580 . 1 1 62 62 PHE HA H 1 5.29 0.05 . 1 . . . . 62 F HA . 4958 1 581 . 1 1 62 62 PHE HB2 H 1 3.03 0.05 . 2 . . . . 62 F HB2 . 4958 1 582 . 1 1 62 62 PHE HB3 H 1 3.21 0.05 . 2 . . . . 62 F HB3 . 4958 1 583 . 1 1 62 62 PHE HD1 H 1 7.52 0.05 . 1 . . . . 62 F HD . 4958 1 584 . 1 1 62 62 PHE HD2 H 1 7.52 0.05 . 1 . . . . 62 F HD . 4958 1 585 . 1 1 62 62 PHE HE1 H 1 7.58 0.05 . 1 . . . . 62 F HE . 4958 1 586 . 1 1 62 62 PHE HE2 H 1 7.58 0.05 . 1 . . . . 62 F HE . 4958 1 587 . 1 1 62 62 PHE HZ H 1 7.87 0.05 . 1 . . . . 62 F HZ . 4958 1 588 . 1 1 62 62 PHE C C 13 174.91 0.20 . 1 . . . . 62 F C . 4958 1 589 . 1 1 62 62 PHE CA C 13 55.29 0.20 . 1 . . . . 62 F CA . 4958 1 590 . 1 1 62 62 PHE CB C 13 39.80 0.20 . 1 . . . . 62 F CB . 4958 1 591 . 1 1 63 63 PRO HA H 1 4.28 0.05 . 1 . . . . 63 P HA . 4958 1 592 . 1 1 63 63 PRO HB2 H 1 1.74 0.05 . 2 . . . . 63 P HB2 . 4958 1 593 . 1 1 63 63 PRO HB3 H 1 2.17 0.05 . 2 . . . . 63 P HB3 . 4958 1 594 . 1 1 63 63 PRO HG2 H 1 1.80 0.05 . 2 . . . . 63 P HG2 . 4958 1 595 . 1 1 63 63 PRO HG3 H 1 2.20 0.05 . 2 . . . . 63 P HG3 . 4958 1 596 . 1 1 63 63 PRO HD2 H 1 2.95 0.05 . 2 . . . . 63 P HD2 . 4958 1 597 . 1 1 63 63 PRO HD3 H 1 4.10 0.05 . 2 . . . . 63 P HD3 . 4958 1 598 . 1 1 63 63 PRO C C 13 177.44 0.20 . 1 . . . . 63 P C . 4958 1 599 . 1 1 63 63 PRO CA C 13 63.03 0.20 . 1 . . . . 63 P CA . 4958 1 600 . 1 1 63 63 PRO CB C 13 33.04 0.20 . 1 . . . . 63 P CB . 4958 1 601 . 1 1 63 63 PRO CG C 13 27.52 0.20 . 1 . . . . 63 P CG . 4958 1 602 . 1 1 63 63 PRO CD C 13 50.49 0.20 . 1 . . . . 63 P CD . 4958 1 603 . 1 1 64 64 ASN H H 1 8.51 0.02 . 1 . . . . 64 N HN . 4958 1 604 . 1 1 64 64 ASN HA H 1 4.76 0.05 . 1 . . . . 64 N HA . 4958 1 605 . 1 1 64 64 ASN HB2 H 1 2.90 0.05 . 2 . . . . 64 N HB2 . 4958 1 606 . 1 1 64 64 ASN HB3 H 1 3.10 0.05 . 2 . . . . 64 N HB3 . 4958 1 607 . 1 1 64 64 ASN HD21 H 1 7.64 0.05 . 2 . . . . 64 N HD21 . 4958 1 608 . 1 1 64 64 ASN HD22 H 1 6.90 0.05 . 2 . . . . 64 N HD22 . 4958 1 609 . 1 1 64 64 ASN C C 13 176.92 0.20 . 1 . . . . 64 N C . 4958 1 610 . 1 1 64 64 ASN CA C 13 53.02 0.20 . 1 . . . . 64 N CA . 4958 1 611 . 1 1 64 64 ASN CB C 13 39.50 0.20 . 1 . . . . 64 N CB . 4958 1 612 . 1 1 64 64 ASN CG C 13 176.82 0.20 . 1 . . . . 64 N CG . 4958 1 613 . 1 1 64 64 ASN N N 15 120.25 0.33 . 1 . . . . 64 N N . 4958 1 614 . 1 1 64 64 ASN ND2 N 15 111.74 0.33 . 1 . . . . 64 N ND2 . 4958 1 615 . 1 1 65 65 ASN H H 1 8.41 0.02 . 1 . . . . 65 N HN . 4958 1 616 . 1 1 65 65 ASN HA H 1 4.97 0.05 . 1 . . . . 65 N HA . 4958 1 617 . 1 1 65 65 ASN HB2 H 1 2.80 0.05 . 2 . . . . 65 N HB2 . 4958 1 618 . 1 1 65 65 ASN HB3 H 1 3.02 0.05 . 2 . . . . 65 N HB3 . 4958 1 619 . 1 1 65 65 ASN HD21 H 1 7.57 0.05 . 2 . . . . 65 N HD21 . 4958 1 620 . 1 1 65 65 ASN HD22 H 1 6.73 0.05 . 2 . . . . 65 N HD22 . 4958 1 621 . 1 1 65 65 ASN C C 13 175.89 0.20 . 1 . . . . 65 N C . 4958 1 622 . 1 1 65 65 ASN CA C 13 53.30 0.20 . 1 . . . . 65 N CA . 4958 1 623 . 1 1 65 65 ASN CB C 13 38.28 0.20 . 1 . . . . 65 N CB . 4958 1 624 . 1 1 65 65 ASN CG C 13 178.04 0.20 . 1 . . . . 65 N CG . 4958 1 625 . 1 1 65 65 ASN N N 15 115.59 0.33 . 1 . . . . 65 N N . 4958 1 626 . 1 1 65 65 ASN ND2 N 15 111.09 0.33 . 1 . . . . 65 N ND2 . 4958 1 627 . 1 1 66 66 ILE H H 1 7.76 0.02 . 1 . . . . 66 I HN . 4958 1 628 . 1 1 66 66 ILE HA H 1 4.75 0.05 . 1 . . . . 66 I HA . 4958 1 629 . 1 1 66 66 ILE HB H 1 2.12 0.05 . 1 . . . . 66 I HB . 4958 1 630 . 1 1 66 66 ILE HG12 H 1 0.65 0.05 . 2 . . . . 66 I HG12 . 4958 1 631 . 1 1 66 66 ILE HG13 H 1 1.28 0.05 . 2 . . . . 66 I HG13 . 4958 1 632 . 1 1 66 66 ILE HG21 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 633 . 1 1 66 66 ILE HG22 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 634 . 1 1 66 66 ILE HG23 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 635 . 1 1 66 66 ILE HD11 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 636 . 1 1 66 66 ILE HD12 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 637 . 1 1 66 66 ILE HD13 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 638 . 1 1 66 66 ILE C C 13 177.01 0.20 . 1 . . . . 66 I C . 4958 1 639 . 1 1 66 66 ILE CA C 13 60.60 0.20 . 1 . . . . 66 I CA . 4958 1 640 . 1 1 66 66 ILE CB C 13 38.50 0.20 . 1 . . . . 66 I CB . 4958 1 641 . 1 1 66 66 ILE CG1 C 13 26.45 0.20 . 1 . . . . 66 I CG1 . 4958 1 642 . 1 1 66 66 ILE CG2 C 13 16.84 0.20 . 1 . . . . 66 I CG2 . 4958 1 643 . 1 1 66 66 ILE CD1 C 13 13.64 0.20 . 1 . . . . 66 I CD1 . 4958 1 644 . 1 1 66 66 ILE N N 15 111.58 0.33 . 1 . . . . 66 I N . 4958 1 645 . 1 1 67 67 GLY H H 1 8.70 0.02 . 1 . . . . 67 G HN . 4958 1 646 . 1 1 67 67 GLY HA2 H 1 3.79 0.05 . 2 . . . . 67 G HA2 . 4958 1 647 . 1 1 67 67 GLY HA3 H 1 3.85 0.05 . 2 . . . . 67 G HA3 . 4958 1 648 . 1 1 67 67 GLY C C 13 176.42 0.20 . 1 . . . . 67 G C . 4958 1 649 . 1 1 67 67 GLY CA C 13 46.86 0.20 . 1 . . . . 67 G CA . 4958 1 650 . 1 1 67 67 GLY N N 15 113.82 0.33 . 1 . . . . 67 G N . 4958 1 651 . 1 1 68 68 CYS H H 1 9.01 0.02 . 1 . . . . 68 C HN . 4958 1 652 . 1 1 68 68 CYS HA H 1 4.39 0.05 . 1 . . . . 68 C HA . 4958 1 653 . 1 1 68 68 CYS HB2 H 1 2.72 0.05 . 2 . . . . 68 C HB2 . 4958 1 654 . 1 1 68 68 CYS HB3 H 1 3.19 0.05 . 2 . . . . 68 C HB3 . 4958 1 655 . 1 1 68 68 CYS C C 13 173.48 0.20 . 1 . . . . 68 C C . 4958 1 656 . 1 1 68 68 CYS CA C 13 56.26 0.20 . 1 . . . . 68 C CA . 4958 1 657 . 1 1 68 68 CYS CB C 13 41.94 0.20 . 1 . . . . 68 C CB . 4958 1 658 . 1 1 68 68 CYS N N 15 119.61 0.33 . 1 . . . . 68 C N . 4958 1 659 . 1 1 69 69 PRO HA H 1 4.78 0.05 . 9 . . . . 69 P HA . 4958 1 660 . 1 1 69 69 PRO HB2 H 1 2.00 0.05 . 9 . . . . 69 P HB2 . 4958 1 661 . 1 1 69 69 PRO HB3 H 1 2.26 0.05 . 9 . . . . 69 P HB3 . 4958 1 662 . 1 1 69 69 PRO HG2 H 1 1.50 0.05 . 9 . . . . 69 P HG2 . 4958 1 663 . 1 1 69 69 PRO HG3 H 1 2.19 0.05 . 9 . . . . 69 P HG3 . 4958 1 664 . 1 1 69 69 PRO HD2 H 1 3.80 0.05 . 9 . . . . 69 P HD . 4958 1 665 . 1 1 69 69 PRO HD3 H 1 3.80 0.05 . 9 . . . . 69 P HD . 4958 1 666 . 1 1 69 69 PRO C C 13 174.35 0.20 . 9 . . . . 69 P C . 4958 1 667 . 1 1 69 69 PRO CA C 13 61.75 0.20 . 9 . . . . 69 P CA . 4958 1 668 . 1 1 69 69 PRO CB C 13 32.20 0.20 . 9 . . . . 69 P CB . 4958 1 669 . 1 1 69 69 PRO CG C 13 25.92 0.20 . 9 . . . . 69 P CG . 4958 1 670 . 1 1 69 69 PRO CD C 13 49.95 0.20 . 9 . . . . 69 P CD . 4958 1 671 . 1 1 70 70 SER H H 1 8.26 0.02 . 9 . . . . 70 S HN . 4958 1 672 . 1 1 70 70 SER HA H 1 4.36 0.05 . 9 . . . . 70 S HA . 4958 1 673 . 1 1 70 70 SER HB2 H 1 3.80 0.05 . 9 . . . . 70 S HB . 4958 1 674 . 1 1 70 70 SER HB3 H 1 3.80 0.05 . 9 . . . . 70 S HB . 4958 1 675 . 1 1 70 70 SER C C 13 173.14 0.20 . 9 . . . . 70 S C . 4958 1 676 . 1 1 70 70 SER CA C 13 60.90 0.20 . 9 . . . . 70 S CA . 4958 1 677 . 1 1 70 70 SER CB C 13 64.04 0.20 . 9 . . . . 70 S CB . 4958 1 678 . 1 1 70 70 SER N N 15 111.90 0.33 . 9 . . . . 70 S N . 4958 1 679 . 1 1 71 71 CYS H H 1 7.70 0.02 . 1 . . . . 71 C HN . 4958 1 680 . 1 1 71 71 CYS HA H 1 5.26 0.05 . 1 . . . . 71 C HA . 4958 1 681 . 1 1 71 71 CYS HB2 H 1 2.94 0.05 . 2 . . . . 71 C HB2 . 4958 1 682 . 1 1 71 71 CYS HB3 H 1 3.03 0.05 . 2 . . . . 71 C HB3 . 4958 1 683 . 1 1 71 71 CYS C C 13 170.80 0.20 . 1 . . . . 71 C C . 4958 1 684 . 1 1 71 71 CYS CA C 13 53.35 0.20 . 1 . . . . 71 C CA . 4958 1 685 . 1 1 71 71 CYS CB C 13 43.24 0.20 . 1 . . . . 71 C CB . 4958 1 686 . 1 1 71 71 CYS N N 15 121.53 0.33 . 1 . . . . 71 C N . 4958 1 687 . 1 1 72 72 CYS H H 1 9.16 0.02 . 1 . . . . 72 C HN . 4958 1 688 . 1 1 72 72 CYS HA H 1 5.14 0.05 . 1 . . . . 72 C HA . 4958 1 689 . 1 1 72 72 CYS HB2 H 1 2.89 0.05 . 2 . . . . 72 C HB2 . 4958 1 690 . 1 1 72 72 CYS HB3 H 1 3.18 0.05 . 2 . . . . 72 C HB3 . 4958 1 691 . 1 1 72 72 CYS C C 13 172.78 0.20 . 1 . . . . 72 C C . 4958 1 692 . 1 1 72 72 CYS CA C 13 52.06 0.20 . 1 . . . . 72 C CA . 4958 1 693 . 1 1 72 72 CYS CB C 13 41.94 0.20 . 1 . . . . 72 C CB . 4958 1 694 . 1 1 72 72 CYS N N 15 117.04 0.33 . 1 . . . . 72 C N . 4958 1 695 . 1 1 73 73 PRO HA H 1 4.77 0.05 . 1 . . . . 73 P HA . 4958 1 696 . 1 1 73 73 PRO HB2 H 1 1.84 0.05 . 2 . . . . 73 P HB2 . 4958 1 697 . 1 1 73 73 PRO HB3 H 1 2.73 0.05 . 2 . . . . 73 P HB3 . 4958 1 698 . 1 1 73 73 PRO HG2 H 1 2.32 0.05 . 2 . . . . 73 P HG2 . 4958 1 699 . 1 1 73 73 PRO HG3 H 1 2.91 0.05 . 2 . . . . 73 P HG3 . 4958 1 700 . 1 1 73 73 PRO HD2 H 1 3.61 0.05 . 2 . . . . 73 P HD2 . 4958 1 701 . 1 1 73 73 PRO HD3 H 1 4.35 0.05 . 2 . . . . 73 P HD3 . 4958 1 702 . 1 1 73 73 PRO C C 13 176.93 0.20 . 1 . . . . 73 P C . 4958 1 703 . 1 1 73 73 PRO CA C 13 62.73 0.20 . 1 . . . . 73 P CA . 4958 1 704 . 1 1 73 73 PRO CB C 13 33.40 0.20 . 1 . . . . 73 P CB . 4958 1 705 . 1 1 73 73 PRO CG C 13 28.05 0.20 . 1 . . . . 73 P CG . 4958 1 706 . 1 1 73 73 PRO CD C 13 52.09 0.20 . 1 . . . . 73 P CD . 4958 1 707 . 1 1 74 74 PHE H H 1 9.32 0.02 . 1 . . . . 74 F HN . 4958 1 708 . 1 1 74 74 PHE HA H 1 4.21 0.05 . 1 . . . . 74 F HA . 4958 1 709 . 1 1 74 74 PHE HB2 H 1 3.14 0.05 . 2 . . . . 74 F HB2 . 4958 1 710 . 1 1 74 74 PHE HB3 H 1 3.40 0.05 . 2 . . . . 74 F HB3 . 4958 1 711 . 1 1 74 74 PHE HD1 H 1 7.23 0.05 . 1 . . . . 74 F HD . 4958 1 712 . 1 1 74 74 PHE HD2 H 1 7.23 0.05 . 1 . . . . 74 F HD . 4958 1 713 . 1 1 74 74 PHE HE1 H 1 7.37 0.05 . 1 . . . . 74 F HE . 4958 1 714 . 1 1 74 74 PHE HE2 H 1 7.37 0.05 . 1 . . . . 74 F HE . 4958 1 715 . 1 1 74 74 PHE HZ H 1 7.32 0.05 . 1 . . . . 74 F HZ . 4958 1 716 . 1 1 74 74 PHE C C 13 176.47 0.20 . 1 . . . . 74 F C . 4958 1 717 . 1 1 74 74 PHE CA C 13 60.78 0.20 . 1 . . . . 74 F CA . 4958 1 718 . 1 1 74 74 PHE CB C 13 38.98 0.20 . 1 . . . . 74 F CB . 4958 1 719 . 1 1 74 74 PHE N N 15 127.47 0.33 . 1 . . . . 74 F N . 4958 1 720 . 1 1 75 75 GLU H H 1 9.27 0.02 . 1 . . . . 75 E HN . 4958 1 721 . 1 1 75 75 GLU HA H 1 3.88 0.05 . 1 . . . . 75 E HA . 4958 1 722 . 1 1 75 75 GLU HB2 H 1 1.89 0.05 . 2 . . . . 75 E HB2 . 4958 1 723 . 1 1 75 75 GLU HB3 H 1 2.18 0.05 . 2 . . . . 75 E HB3 . 4958 1 724 . 1 1 75 75 GLU HG2 H 1 2.33 0.05 . 2 . . . . 75 E HG2 . 4958 1 725 . 1 1 75 75 GLU HG3 H 1 2.39 0.05 . 2 . . . . 75 E HG3 . 4958 1 726 . 1 1 75 75 GLU C C 13 177.43 0.20 . 1 . . . . 75 E C . 4958 1 727 . 1 1 75 75 GLU CA C 13 58.51 0.20 . 1 . . . . 75 E CA . 4958 1 728 . 1 1 75 75 GLU CB C 13 31.04 0.20 . 1 . . . . 75 E CB . 4958 1 729 . 1 1 75 75 GLU CG C 13 37.13 0.20 . 1 . . . . 75 E CG . 4958 1 730 . 1 1 75 75 GLU CD C 13 177.22 0.20 . 1 . . . . 75 E CD . 4958 1 731 . 1 1 75 75 GLU N N 15 114.79 0.33 . 1 . . . . 75 E N . 4958 1 732 . 1 1 76 76 CYS H H 1 7.43 0.02 . 1 . . . . 76 C HN . 4958 1 733 . 1 1 76 76 CYS HA H 1 4.42 0.05 . 1 . . . . 76 C HA . 4958 1 734 . 1 1 76 76 CYS HB2 H 1 2.33 0.05 . 2 . . . . 76 C HB2 . 4958 1 735 . 1 1 76 76 CYS HB3 H 1 2.91 0.05 . 2 . . . . 76 C HB3 . 4958 1 736 . 1 1 76 76 CYS C C 13 170.80 0.20 . 1 . . . . 76 C C . 4958 1 737 . 1 1 76 76 CYS CA C 13 51.76 0.20 . 1 . . . . 76 C CA . 4958 1 738 . 1 1 76 76 CYS CB C 13 37.14 0.20 . 1 . . . . 76 C CB . 4958 1 739 . 1 1 76 76 CYS N N 15 118.00 0.33 . 1 . . . . 76 C N . 4958 1 740 . 1 1 77 77 SER H H 1 6.98 0.02 . 1 . . . . 77 S HN . 4958 1 741 . 1 1 77 77 SER HA H 1 4.85 0.05 . 1 . . . . 77 S HA . 4958 1 742 . 1 1 77 77 SER HB2 H 1 3.36 0.05 . 2 . . . . 77 S HB2 . 4958 1 743 . 1 1 77 77 SER HB3 H 1 3.89 0.05 . 2 . . . . 77 S HB3 . 4958 1 744 . 1 1 77 77 SER C C 13 176.93 0.20 . 1 . . . . 77 S C . 4958 1 745 . 1 1 77 77 SER CA C 13 53.66 0.20 . 1 . . . . 77 S CA . 4958 1 746 . 1 1 77 77 SER CB C 13 64.62 0.20 . 1 . . . . 77 S CB . 4958 1 747 . 1 1 77 77 SER N N 15 113.50 0.33 . 1 . . . . 77 S N . 4958 1 748 . 1 1 78 78 PRO HA H 1 4.53 0.05 . 1 . . . . 78 P HA . 4958 1 749 . 1 1 78 78 PRO HB2 H 1 1.99 0.05 . 2 . . . . 78 P HB2 . 4958 1 750 . 1 1 78 78 PRO HB3 H 1 2.28 0.05 . 2 . . . . 78 P HB3 . 4958 1 751 . 1 1 78 78 PRO HG2 H 1 1.70 0.05 . 1 . . . . 78 P HG . 4958 1 752 . 1 1 78 78 PRO HG3 H 1 1.70 0.05 . 1 . . . . 78 P HG . 4958 1 753 . 1 1 78 78 PRO HD2 H 1 3.71 0.05 . 2 . . . . 78 P HD2 . 4958 1 754 . 1 1 78 78 PRO HD3 H 1 3.80 0.05 . 2 . . . . 78 P HD3 . 4958 1 755 . 1 1 78 78 PRO C C 13 175.64 0.20 . 1 . . . . 78 P C . 4958 1 756 . 1 1 78 78 PRO CA C 13 63.70 0.20 . 1 . . . . 78 P CA . 4958 1 757 . 1 1 78 78 PRO CB C 13 31.40 0.20 . 1 . . . . 78 P CB . 4958 1 758 . 1 1 78 78 PRO CG C 13 26.57 0.20 . 1 . . . . 78 P CG . 4958 1 759 . 1 1 78 78 PRO CD C 13 50.34 0.20 . 1 . . . . 78 P CD . 4958 1 760 . 1 1 79 79 ASP H H 1 7.90 0.02 . 1 . . . . 79 D HN . 4958 1 761 . 1 1 79 79 ASP HA H 1 4.63 0.05 . 1 . . . . 79 D HA . 4958 1 762 . 1 1 79 79 ASP HB2 H 1 2.46 0.05 . 2 . . . . 79 D HB2 . 4958 1 763 . 1 1 79 79 ASP HB3 H 1 2.74 0.05 . 2 . . . . 79 D HB3 . 4958 1 764 . 1 1 79 79 ASP C C 13 175.90 0.20 . 1 . . . . 79 D C . 4958 1 765 . 1 1 79 79 ASP CA C 13 53.06 0.20 . 1 . . . . 79 D CA . 4958 1 766 . 1 1 79 79 ASP CB C 13 40.60 0.20 . 1 . . . . 79 D CB . 4958 1 767 . 1 1 79 79 ASP CG C 13 179.85 0.20 . 1 . . . . 79 D CG . 4958 1 768 . 1 1 79 79 ASP N N 15 117.04 0.33 . 1 . . . . 79 D N . 4958 1 769 . 1 1 80 80 ASN H H 1 7.38 0.02 . 1 . . . . 80 N HN . 4958 1 770 . 1 1 80 80 ASN HA H 1 4.65 0.05 . 1 . . . . 80 N HA . 4958 1 771 . 1 1 80 80 ASN HB2 H 1 2.78 0.05 . 1 . . . . 80 N HB . 4958 1 772 . 1 1 80 80 ASN HB3 H 1 2.78 0.05 . 1 . . . . 80 N HB . 4958 1 773 . 1 1 80 80 ASN HD21 H 1 7.56 0.05 . 2 . . . . 80 N HD21 . 4958 1 774 . 1 1 80 80 ASN HD22 H 1 6.93 0.05 . 2 . . . . 80 N HD22 . 4958 1 775 . 1 1 80 80 ASN C C 13 173.51 0.20 . 1 . . . . 80 N C . 4958 1 776 . 1 1 80 80 ASN CA C 13 51.57 0.20 . 1 . . . . 80 N CA . 4958 1 777 . 1 1 80 80 ASN CB C 13 38.11 0.20 . 1 . . . . 80 N CB . 4958 1 778 . 1 1 80 80 ASN N N 15 122.18 0.33 . 1 . . . . 80 N N . 4958 1 779 . 1 1 80 80 ASN ND2 N 15 112.06 0.33 . 1 . . . . 80 N ND2 . 4958 1 780 . 1 1 81 81 PRO HA H 1 4.41 0.05 . 1 . . . . 81 P HA . 4958 1 781 . 1 1 81 81 PRO HB2 H 1 1.93 0.05 . 2 . . . . 81 P HB2 . 4958 1 782 . 1 1 81 81 PRO HB3 H 1 2.28 0.05 . 2 . . . . 81 P HB3 . 4958 1 783 . 1 1 81 81 PRO HG2 H 1 1.98 0.05 . 2 . . . . 81 P HG2 . 4958 1 784 . 1 1 81 81 PRO HG3 H 1 2.04 0.05 . 2 . . . . 81 P HG3 . 4958 1 785 . 1 1 81 81 PRO HD2 H 1 3.68 0.05 . 2 . . . . 81 P HD2 . 4958 1 786 . 1 1 81 81 PRO HD3 H 1 3.85 0.05 . 2 . . . . 81 P HD3 . 4958 1 787 . 1 1 81 81 PRO C C 13 176.67 0.20 . 1 . . . . 81 P C . 4958 1 788 . 1 1 81 81 PRO CA C 13 62.90 0.20 . 1 . . . . 81 P CA . 4958 1 789 . 1 1 81 81 PRO CB C 13 32.30 0.20 . 1 . . . . 81 P CB . 4958 1 790 . 1 1 81 81 PRO CG C 13 27.03 0.20 . 1 . . . . 81 P CG . 4958 1 791 . 1 1 81 81 PRO CD C 13 50.89 0.20 . 1 . . . . 81 P CD . 4958 1 792 . 1 1 82 82 MET H H 1 8.41 0.02 . 1 . . . . 82 M HN . 4958 1 793 . 1 1 82 82 MET HA H 1 4.28 0.05 . 1 . . . . 82 M HA . 4958 1 794 . 1 1 82 82 MET HB2 H 1 1.88 0.05 . 2 . . . . 82 M HB2 . 4958 1 795 . 1 1 82 82 MET HB3 H 1 2.00 0.05 . 2 . . . . 82 M HB3 . 4958 1 796 . 1 1 82 82 MET CA C 13 55.30 0.20 . 1 . . . . 82 M CA . 4958 1 797 . 1 1 82 82 MET N N 15 123.14 0.33 . 1 . . . . 82 M N . 4958 1 798 . 1 1 83 83 PHE HA H 1 4.34 0.05 . 1 . . . . 83 F HA . 4958 1 799 . 1 1 83 83 PHE HB2 H 1 2.71 0.05 . 2 . . . . 83 F HB2 . 4958 1 800 . 1 1 83 83 PHE HB3 H 1 2.74 0.05 . 2 . . . . 83 F HB3 . 4958 1 801 . 1 1 83 83 PHE C C 13 176.38 0.20 . 1 . . . . 83 F C . 4958 1 802 . 1 1 83 83 PHE CA C 13 56.28 0.20 . 1 . . . . 83 F CA . 4958 1 803 . 1 1 83 83 PHE CB C 13 39.23 0.20 . 1 . . . . 83 F CB . 4958 1 804 . 1 1 85 85 PRO HA H 1 4.45 0.05 . 9 . . . . 85 P HA . 4958 1 805 . 1 1 85 85 PRO HB2 H 1 1.95 0.05 . 9 . . . . 85 P HB2 . 4958 1 806 . 1 1 85 85 PRO HB3 H 1 2.27 0.05 . 9 . . . . 85 P HB3 . 4958 1 807 . 1 1 85 85 PRO HG2 H 1 1.92 0.05 . 9 . . . . 85 P HG . 4958 1 808 . 1 1 85 85 PRO HG3 H 1 1.92 0.05 . 9 . . . . 85 P HG . 4958 1 809 . 1 1 85 85 PRO HD2 H 1 3.70 0.05 . 9 . . . . 85 P HD2 . 4958 1 810 . 1 1 85 85 PRO HD3 H 1 3.80 0.05 . 9 . . . . 85 P HD3 . 4958 1 811 . 1 1 85 85 PRO C C 13 175.46 0.20 . 9 . . . . 85 P C . 4958 1 812 . 1 1 85 85 PRO CA C 13 62.82 0.20 . 9 . . . . 85 P CA . 4958 1 813 . 1 1 85 85 PRO CB C 13 32.10 0.20 . 9 . . . . 85 P CB . 4958 1 814 . 1 1 85 85 PRO CG C 13 24.85 0.20 . 9 . . . . 85 P CG . 4958 1 815 . 1 1 85 85 PRO CD C 13 50.27 0.20 . 9 . . . . 85 P CD . 4958 1 816 . 1 1 86 86 SER H H 1 8.02 0.02 . 9 . . . . 86 S HN . 4958 1 817 . 1 1 86 86 SER HA H 1 4.53 0.05 . 9 . . . . 86 S HA . 4958 1 818 . 1 1 86 86 SER HB2 H 1 3.68 0.05 . 9 . . . . 86 S HB . 4958 1 819 . 1 1 86 86 SER HB3 H 1 3.68 0.05 . 9 . . . . 86 S HB . 4958 1 820 . 1 1 86 86 SER CA C 13 55.28 0.20 . 9 . . . . 86 S CA . 4958 1 821 . 1 1 86 86 SER N N 15 115.42 0.33 . 9 . . . . 86 S N . 4958 1 822 . 1 1 87 87 PRO HA H 1 4.40 0.05 . 9 . . . . 87 P HA . 4958 1 823 . 1 1 87 87 PRO HB2 H 1 1.97 0.05 . 9 . . . . 87 P HB2 . 4958 1 824 . 1 1 87 87 PRO HB3 H 1 2.31 0.05 . 9 . . . . 87 P HB3 . 4958 1 825 . 1 1 87 87 PRO HG2 H 1 2.06 0.05 . 9 . . . . 87 P HG . 4958 1 826 . 1 1 87 87 PRO HG3 H 1 2.06 0.05 . 9 . . . . 87 P HG . 4958 1 827 . 1 1 87 87 PRO HD2 H 1 3.67 0.05 . 9 . . . . 87 P HD . 4958 1 828 . 1 1 87 87 PRO HD3 H 1 3.67 0.05 . 9 . . . . 87 P HD . 4958 1 829 . 1 1 87 87 PRO C C 13 176.84 0.20 . 9 . . . . 87 P C . 4958 1 830 . 1 1 87 87 PRO CA C 13 65.00 0.20 . 9 . . . . 87 P CA . 4958 1 831 . 1 1 87 87 PRO CB C 13 31.74 0.20 . 9 . . . . 87 P CB . 4958 1 832 . 1 1 87 87 PRO CG C 13 27.26 0.20 . 9 . . . . 87 P CG . 4958 1 833 . 1 1 87 87 PRO CD C 13 50.96 0.20 . 9 . . . . 87 P CD . 4958 1 834 . 1 1 88 88 ASP H H 1 7.86 0.02 . 1 . . . . 88 D HN . 4958 1 835 . 1 1 88 88 ASP HA H 1 4.58 0.05 . 1 . . . . 88 D HA . 4958 1 836 . 1 1 88 88 ASP HB2 H 1 2.63 0.05 . 2 . . . . 88 D HB2 . 4958 1 837 . 1 1 88 88 ASP HB3 H 1 2.93 0.05 . 2 . . . . 88 D HB3 . 4958 1 838 . 1 1 88 88 ASP C C 13 176.85 0.20 . 1 . . . . 88 D C . 4958 1 839 . 1 1 88 88 ASP CA C 13 53.88 0.20 . 1 . . . . 88 D CA . 4958 1 840 . 1 1 88 88 ASP CB C 13 40.36 0.20 . 1 . . . . 88 D CB . 4958 1 841 . 1 1 88 88 ASP CG C 13 180.56 0.20 . 1 . . . . 88 D CG . 4958 1 842 . 1 1 88 88 ASP N N 15 115.11 0.33 . 1 . . . . 88 D N . 4958 1 843 . 1 1 89 89 GLY H H 1 8.22 0.02 . 1 . . . . 89 G HN . 4958 1 844 . 1 1 89 89 GLY HA2 H 1 3.71 0.05 . 2 . . . . 89 G HA2 . 4958 1 845 . 1 1 89 89 GLY HA3 H 1 4.20 0.05 . 2 . . . . 89 G HA3 . 4958 1 846 . 1 1 89 89 GLY C C 13 174.34 0.20 . 1 . . . . 89 G C . 4958 1 847 . 1 1 89 89 GLY CA C 13 45.06 0.20 . 1 . . . . 89 G CA . 4958 1 848 . 1 1 89 89 GLY N N 15 108.69 0.33 . 1 . . . . 89 G N . 4958 1 849 . 1 1 90 90 SER H H 1 8.10 0.02 . 1 . . . . 90 S HN . 4958 1 850 . 1 1 90 90 SER HA H 1 4.63 0.05 . 1 . . . . 90 S HA . 4958 1 851 . 1 1 90 90 SER HB2 H 1 3.88 0.05 . 1 . . . . 90 S HB . 4958 1 852 . 1 1 90 90 SER HB3 H 1 3.88 0.05 . 1 . . . . 90 S HB . 4958 1 853 . 1 1 90 90 SER C C 13 176.43 0.20 . 1 . . . . 90 S C . 4958 1 854 . 1 1 90 90 SER CA C 13 57.67 0.20 . 1 . . . . 90 S CA . 4958 1 855 . 1 1 90 90 SER CB C 13 62.22 0.20 . 1 . . . . 90 S CB . 4958 1 856 . 1 1 90 90 SER N N 15 118.51 0.33 . 1 . . . . 90 S N . 4958 1 857 . 1 1 92 92 PRO HA H 1 4.43 0.05 . 1 . . . . 92 P HA . 4958 1 858 . 1 1 92 92 PRO HB2 H 1 1.91 0.05 . 2 . . . . 92 P HB2 . 4958 1 859 . 1 1 92 92 PRO HB3 H 1 2.23 0.05 . 2 . . . . 92 P HB3 . 4958 1 860 . 1 1 92 92 PRO HG2 H 1 1.98 0.05 . 1 . . . . 92 P HG . 4958 1 861 . 1 1 92 92 PRO HG3 H 1 1.98 0.05 . 1 . . . . 92 P HG . 4958 1 862 . 1 1 92 92 PRO HD2 H 1 3.69 0.05 . 1 . . . . 92 P HD . 4958 1 863 . 1 1 92 92 PRO HD3 H 1 3.69 0.05 . 1 . . . . 92 P HD . 4958 1 864 . 1 1 92 92 PRO C C 13 176.41 0.20 . 1 . . . . 92 P C . 4958 1 865 . 1 1 92 92 PRO CA C 13 63.40 0.20 . 1 . . . . 92 P CA . 4958 1 866 . 1 1 92 92 PRO CB C 13 32.18 0.20 . 1 . . . . 92 P CB . 4958 1 867 . 1 1 92 92 PRO CG C 13 26.86 0.20 . 1 . . . . 92 P CG . 4958 1 868 . 1 1 92 92 PRO CD C 13 50.65 0.20 . 1 . . . . 92 P CD . 4958 1 869 . 1 1 93 93 ASN H H 1 8.24 0.02 . 1 . . . . 93 N HN . 4958 1 870 . 1 1 93 93 ASN HA H 1 4.64 0.05 . 1 . . . . 93 N HA . 4958 1 871 . 1 1 93 93 ASN HB2 H 1 2.72 0.05 . 1 . . . . 93 N HB . 4958 1 872 . 1 1 93 93 ASN HB3 H 1 2.72 0.05 . 1 . . . . 93 N HB . 4958 1 873 . 1 1 93 93 ASN HD21 H 1 7.42 0.05 . 2 . . . . 93 N HD21 . 4958 1 874 . 1 1 93 93 ASN HD22 H 1 6.98 0.05 . 2 . . . . 93 N HD22 . 4958 1 875 . 1 1 93 93 ASN C C 13 176.73 0.20 . 1 . . . . 93 N C . 4958 1 876 . 1 1 93 93 ASN CA C 13 54.01 0.20 . 1 . . . . 93 N CA . 4958 1 877 . 1 1 93 93 ASN CB C 13 40.93 0.20 . 1 . . . . 93 N CB . 4958 1 878 . 1 1 93 93 ASN CG C 13 176.42 0.20 . 1 . . . . 93 N CG . 4958 1 879 . 1 1 93 93 ASN N N 15 121.53 0.33 . 1 . . . . 93 N N . 4958 1 880 . 1 1 93 93 ASN ND2 N 15 112.06 0.33 . 1 . . . . 93 N ND2 . 4958 1 881 . 1 1 94 94 CYS H H 1 8.32 0.02 . 1 . . . . 94 C HN . 4958 1 882 . 1 1 94 94 CYS HA H 1 4.75 0.05 . 1 . . . . 94 C HA . 4958 1 883 . 1 1 94 94 CYS HB2 H 1 3.00 0.05 . 2 . . . . 94 C HB2 . 4958 1 884 . 1 1 94 94 CYS HB3 H 1 3.26 0.05 . 2 . . . . 94 C HB3 . 4958 1 885 . 1 1 94 94 CYS C C 13 173.92 0.20 . 1 . . . . 94 C C . 4958 1 886 . 1 1 94 94 CYS CA C 13 54.14 0.20 . 1 . . . . 94 C CA . 4958 1 887 . 1 1 94 94 CYS CB C 13 41.02 0.20 . 1 . . . . 94 C CB . 4958 1 888 . 1 1 94 94 CYS N N 15 118.82 0.33 . 1 . . . . 94 C N . 4958 1 889 . 1 1 95 95 SER H H 1 8.43 0.02 . 1 . . . . 95 S HN . 4958 1 890 . 1 1 95 95 SER HA H 1 4.76 0.05 . 1 . . . . 95 S HA . 4958 1 891 . 1 1 95 95 SER HB2 H 1 3.78 0.05 . 2 . . . . 95 S HB2 . 4958 1 892 . 1 1 95 95 SER HB3 H 1 3.88 0.05 . 2 . . . . 95 S HB3 . 4958 1 893 . 1 1 95 95 SER CA C 13 56.26 0.20 . 1 . . . . 95 S CA . 4958 1 894 . 1 1 95 95 SER CB C 13 63.24 0.20 . 1 . . . . 95 S CB . 4958 1 895 . 1 1 95 95 SER N N 15 118.32 0.33 . 1 . . . . 95 S N . 4958 1 896 . 1 1 96 96 PRO HA H 1 4.43 0.05 . 1 . . . . 96 P HA . 4958 1 897 . 1 1 96 96 PRO HB2 H 1 1.90 0.05 . 2 . . . . 96 P HB2 . 4958 1 898 . 1 1 96 96 PRO HB3 H 1 2.24 0.05 . 2 . . . . 96 P HB3 . 4958 1 899 . 1 1 96 96 PRO C C 13 177.06 0.20 . 1 . . . . 96 P C . 4958 1 900 . 1 1 96 96 PRO CA C 13 63.58 0.20 . 1 . . . . 96 P CA . 4958 1 901 . 1 1 96 96 PRO CB C 13 32.24 0.20 . 1 . . . . 96 P CB . 4958 1 902 . 1 1 96 96 PRO CG C 13 27.06 0.20 . 1 . . . . 96 P CG . 4958 1 903 . 1 1 96 96 PRO CD C 13 50.65 0.20 . 1 . . . . 96 P CD . 4958 1 904 . 1 1 97 97 THR H H 1 8.18 0.02 . 1 . . . . 97 T HN . 4958 1 905 . 1 1 97 97 THR HA H 1 4.50 0.05 . 1 . . . . 97 T HA . 4958 1 906 . 1 1 97 97 THR HB H 1 4.13 0.05 . 1 . . . . 97 T HB . 4958 1 907 . 1 1 97 97 THR C C 13 174.27 0.20 . 1 . . . . 97 T C . 4958 1 908 . 1 1 97 97 THR CA C 13 62.40 0.20 . 1 . . . . 97 T CA . 4958 1 909 . 1 1 97 97 THR CB C 13 69.28 0.20 . 1 . . . . 97 T CB . 4958 1 910 . 1 1 97 97 THR N N 15 114.15 0.33 . 1 . . . . 97 T N . 4958 1 911 . 1 1 98 98 MET H H 1 8.27 0.02 . 1 . . . . 98 M HN . 4958 1 912 . 1 1 98 98 MET HA H 1 4.36 0.05 . 1 . . . . 98 M HA . 4958 1 913 . 1 1 98 98 MET HB2 H 1 1.95 0.05 . 1 . . . . 98 M HB . 4958 1 914 . 1 1 98 98 MET HB3 H 1 1.95 0.05 . 1 . . . . 98 M HB . 4958 1 915 . 1 1 98 98 MET HG2 H 1 2.47 0.05 . 1 . . . . 98 M HG . 4958 1 916 . 1 1 98 98 MET HG3 H 1 2.47 0.05 . 1 . . . . 98 M HG . 4958 1 917 . 1 1 98 98 MET C C 13 174.26 0.20 . 1 . . . . 98 M C . 4958 1 918 . 1 1 98 98 MET CA C 13 55.27 0.20 . 1 . . . . 98 M CA . 4958 1 919 . 1 1 98 98 MET CB C 13 32.98 0.20 . 1 . . . . 98 M CB . 4958 1 920 . 1 1 98 98 MET CG C 13 31.62 0.20 . 1 . . . . 98 M CG . 4958 1 921 . 1 1 98 98 MET N N 15 122.50 0.33 . 1 . . . . 98 M N . 4958 1 922 . 1 1 99 99 LEU H H 1 7.88 0.02 . 1 . . . . 99 L HN . 4958 1 923 . 1 1 99 99 LEU HA H 1 4.76 0.05 . 1 . . . . 99 L HA . 4958 1 924 . 1 1 99 99 LEU HB2 H 1 1.68 0.05 . 1 . . . . 99 L HB . 4958 1 925 . 1 1 99 99 LEU HB3 H 1 1.68 0.05 . 1 . . . . 99 L HB . 4958 1 926 . 1 1 99 99 LEU HG H 1 1.68 0.05 . 1 . . . . 99 L HG . 4958 1 927 . 1 1 99 99 LEU HD11 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 928 . 1 1 99 99 LEU HD12 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 929 . 1 1 99 99 LEU HD13 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 930 . 1 1 99 99 LEU HD21 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 931 . 1 1 99 99 LEU HD22 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 932 . 1 1 99 99 LEU HD23 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 933 . 1 1 99 99 LEU CA C 13 52.33 0.20 . 1 . . . . 99 L CA . 4958 1 934 . 1 1 99 99 LEU CB C 13 41.20 0.20 . 1 . . . . 99 L CB . 4958 1 935 . 1 1 99 99 LEU CG C 13 26.35 0.20 . 1 . . . . 99 L CG . 4958 1 936 . 1 1 99 99 LEU CD1 C 13 23.32 0.20 . 1 . . . . 99 L CD1 . 4958 1 937 . 1 1 99 99 LEU CD2 C 13 25.09 0.20 . 1 . . . . 99 L CD2 . 4958 1 938 . 1 1 99 99 LEU N N 15 122.18 0.33 . 1 . . . . 99 L N . 4958 1 939 . 1 1 100 100 PRO HA H 1 4.41 0.05 . 9 . . . . 100 P HA . 4958 1 940 . 1 1 100 100 PRO HB2 H 1 1.86 0.05 . 9 . . . . 100 P HB2 . 4958 1 941 . 1 1 100 100 PRO HB3 H 1 2.22 0.05 . 9 . . . . 100 P HB3 . 4958 1 942 . 1 1 100 100 PRO HG2 H 1 1.98 0.05 . 9 . . . . 100 P HG . 4958 1 943 . 1 1 100 100 PRO HG3 H 1 1.98 0.05 . 9 . . . . 100 P HG . 4958 1 944 . 1 1 100 100 PRO HD2 H 1 3.66 0.05 . 9 . . . . 100 P HD2 . 4958 1 945 . 1 1 100 100 PRO HD3 H 1 3.78 0.05 . 9 . . . . 100 P HD3 . 4958 1 946 . 1 1 100 100 PRO C C 13 176.00 0.20 . 9 . . . . 100 P C . 4958 1 947 . 1 1 100 100 PRO CA C 13 62.76 0.20 . 9 . . . . 100 P CA . 4958 1 948 . 1 1 100 100 PRO CB C 13 32.11 0.20 . 9 . . . . 100 P CB . 4958 1 949 . 1 1 100 100 PRO CG C 13 27.04 0.20 . 9 . . . . 100 P CG . 4958 1 950 . 1 1 100 100 PRO CD C 13 50.49 0.20 . 9 . . . . 100 P CD . 4958 1 951 . 1 1 101 101 SER H H 1 8.35 0.02 . 9 . . . . 101 S HN . 4958 1 952 . 1 1 101 101 SER HA H 1 4.68 0.05 . 9 . . . . 101 S HA . 4958 1 953 . 1 1 101 101 SER HB2 H 1 3.78 0.05 . 9 . . . . 101 S HB . 4958 1 954 . 1 1 101 101 SER HB3 H 1 3.78 0.05 . 9 . . . . 101 S HB . 4958 1 955 . 1 1 101 101 SER C C 13 173.42 0.20 . 9 . . . . 101 S C . 4958 1 956 . 1 1 101 101 SER CA C 13 55.95 0.20 . 9 . . . . 101 S CA . 4958 1 957 . 1 1 101 101 SER CB C 13 63.93 0.20 . 9 . . . . 101 S CB . 4958 1 958 . 1 1 101 101 SER N N 15 116.72 0.33 . 9 . . . . 101 S N . 4958 1 959 . 1 1 102 102 PRO HA H 1 4.16 0.05 . 9 . . . . 102 P HA . 4958 1 960 . 1 1 102 102 PRO HB2 H 1 2.08 0.05 . 9 . . . . 102 P HB2 . 4958 1 961 . 1 1 102 102 PRO HB3 H 1 2.36 0.05 . 9 . . . . 102 P HB3 . 4958 1 962 . 1 1 102 102 PRO HG2 H 1 1.91 0.05 . 9 . . . . 102 P HG . 4958 1 963 . 1 1 102 102 PRO HG3 H 1 1.91 0.05 . 9 . . . . 102 P HG . 4958 1 964 . 1 1 102 102 PRO HD2 H 1 3.53 0.05 . 9 . . . . 102 P HD . 4958 1 965 . 1 1 102 102 PRO HD3 H 1 3.53 0.05 . 9 . . . . 102 P HD . 4958 1 966 . 1 1 102 102 PRO C C 13 177.18 0.20 . 9 . . . . 102 P C . 4958 1 967 . 1 1 102 102 PRO CA C 13 62.77 0.20 . 9 . . . . 102 P CA . 4958 1 968 . 1 1 102 102 PRO CB C 13 34.14 0.20 . 9 . . . . 102 P CB . 4958 1 969 . 1 1 102 102 PRO CG C 13 24.85 0.20 . 9 . . . . 102 P CG . 4958 1 970 . 1 1 102 102 PRO CD C 13 49.47 0.20 . 9 . . . . 102 P CD . 4958 1 971 . 1 1 103 103 SER H H 1 8.34 0.02 . 9 . . . . 103 S HN . 4958 1 972 . 1 1 103 103 SER HA H 1 4.71 0.05 . 9 . . . . 103 S HA . 4958 1 973 . 1 1 103 103 SER HB2 H 1 3.80 0.05 . 9 . . . . 103 S HB2 . 4958 1 974 . 1 1 103 103 SER HB3 H 1 3.87 0.05 . 9 . . . . 103 S HB3 . 4958 1 975 . 1 1 103 103 SER CA C 13 58.52 0.20 . 9 . . . . 103 S CA . 4958 1 976 . 1 1 103 103 SER N N 15 117.04 0.33 . 9 . . . . 103 S N . 4958 1 977 . 1 1 104 104 PRO HA H 1 4.77 0.05 . 9 . . . . 104 P HA . 4958 1 978 . 1 1 104 104 PRO HB2 H 1 1.99 0.05 . 9 . . . . 104 P HB2 . 4958 1 979 . 1 1 104 104 PRO HB3 H 1 2.25 0.05 . 9 . . . . 104 P HB3 . 4958 1 980 . 1 1 104 104 PRO HG2 H 1 1.95 0.05 . 9 . . . . 104 P HG . 4958 1 981 . 1 1 104 104 PRO HG3 H 1 1.95 0.05 . 9 . . . . 104 P HG . 4958 1 982 . 1 1 104 104 PRO HD2 H 1 3.69 0.05 . 9 . . . . 104 P HD . 4958 1 983 . 1 1 104 104 PRO HD3 H 1 3.69 0.05 . 9 . . . . 104 P HD . 4958 1 984 . 1 1 104 104 PRO C C 13 176.93 0.20 . 9 . . . . 104 P C . 4958 1 985 . 1 1 104 104 PRO CA C 13 63.55 0.20 . 9 . . . . 104 P CA . 4958 1 986 . 1 1 104 104 PRO CB C 13 32.20 0.20 . 9 . . . . 104 P CB . 4958 1 987 . 1 1 104 104 PRO CG C 13 27.03 0.20 . 9 . . . . 104 P CG . 4958 1 988 . 1 1 104 104 PRO CD C 13 50.49 0.20 . 9 . . . . 104 P CD . 4958 1 989 . 1 1 105 105 SER H H 1 8.43 0.02 . 9 . . . . 105 S HN . 4958 1 990 . 1 1 105 105 SER HA H 1 4.43 0.05 . 9 . . . . 105 S HA . 4958 1 991 . 1 1 105 105 SER HB2 H 1 3.87 0.05 . 9 . . . . 105 S HB . 4958 1 992 . 1 1 105 105 SER HB3 H 1 3.87 0.05 . 9 . . . . 105 S HB . 4958 1 993 . 1 1 105 105 SER C C 13 174.26 0.20 . 9 . . . . 105 S C . 4958 1 994 . 1 1 105 105 SER CA C 13 58.21 0.20 . 9 . . . . 105 S CA . 4958 1 995 . 1 1 105 105 SER CB C 13 63.24 0.20 . 9 . . . . 105 S CB . 4958 1 996 . 1 1 105 105 SER N N 15 115.43 0.33 . 9 . . . . 105 S N . 4958 1 997 . 1 1 106 106 ALA H H 1 8.27 0.02 . 1 . . . . 106 A HN . 4958 1 998 . 1 1 106 106 ALA HA H 1 4.16 0.05 . 1 . . . . 106 A HA . 4958 1 999 . 1 1 106 106 ALA HB1 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1000 . 1 1 106 106 ALA HB2 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1001 . 1 1 106 106 ALA HB3 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1002 . 1 1 106 106 ALA C C 13 173.63 0.20 . 1 . . . . 106 A C . 4958 1 1003 . 1 1 106 106 ALA CA C 13 52.38 0.20 . 1 . . . . 106 A CA . 4958 1 1004 . 1 1 106 106 ALA CB C 13 19.80 0.20 . 1 . . . . 106 A CB . 4958 1 1005 . 1 1 106 106 ALA N N 15 126.03 0.33 . 1 . . . . 106 A N . 4958 1 1006 . 1 1 107 107 VAL H H 1 8.09 0.02 . 1 . . . . 107 V HN . 4958 1 1007 . 1 1 107 107 VAL HA H 1 4.10 0.05 . 1 . . . . 107 V HA . 4958 1 1008 . 1 1 107 107 VAL HB H 1 2.06 0.05 . 1 . . . . 107 V HB . 4958 1 1009 . 1 1 107 107 VAL HG11 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1010 . 1 1 107 107 VAL HG12 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1011 . 1 1 107 107 VAL HG13 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1012 . 1 1 107 107 VAL HG21 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1013 . 1 1 107 107 VAL HG22 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1014 . 1 1 107 107 VAL HG23 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1015 . 1 1 107 107 VAL C C 13 176.35 0.20 . 1 . . . . 107 V C . 4958 1 1016 . 1 1 107 107 VAL CA C 13 62.06 0.20 . 1 . . . . 107 V CA . 4958 1 1017 . 1 1 107 107 VAL CB C 13 32.90 0.20 . 1 . . . . 107 V CB . 4958 1 1018 . 1 1 107 107 VAL CG1 C 13 20.35 0.20 . 1 . . . . 107 V CG1 . 4958 1 1019 . 1 1 107 107 VAL CG2 C 13 20.35 0.20 . 1 . . . . 107 V CG2 . 4958 1 1020 . 1 1 107 107 VAL N N 15 119.28 0.33 . 1 . . . . 107 V N . 4958 1 1021 . 1 1 108 108 THR H H 1 8.27 0.02 . 1 . . . . 108 T HN . 4958 1 1022 . 1 1 108 108 THR HA H 1 4.33 0.05 . 1 . . . . 108 T HA . 4958 1 1023 . 1 1 108 108 THR HB H 1 4.11 0.05 . 1 . . . . 108 T HB . 4958 1 1024 . 1 1 108 108 THR HG21 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1025 . 1 1 108 108 THR HG22 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1026 . 1 1 108 108 THR HG23 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1027 . 1 1 108 108 THR C C 13 174.07 0.20 . 1 . . . . 108 T C . 4958 1 1028 . 1 1 108 108 THR CA C 13 61.75 0.20 . 1 . . . . 108 T CA . 4958 1 1029 . 1 1 108 108 THR CB C 13 69.65 0.20 . 1 . . . . 108 T CB . 4958 1 1030 . 1 1 108 108 THR N N 15 118.96 0.33 . 1 . . . . 108 T N . 4958 1 1031 . 1 1 109 109 VAL H H 1 8.19 0.02 . 1 . . . . 109 V HN . 4958 1 1032 . 1 1 109 109 VAL HA H 1 4.43 0.05 . 1 . . . . 109 V HA . 4958 1 1033 . 1 1 109 109 VAL HB H 1 2.09 0.05 . 1 . . . . 109 V HB . 4958 1 1034 . 1 1 109 109 VAL HG11 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1035 . 1 1 109 109 VAL HG12 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1036 . 1 1 109 109 VAL HG13 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1037 . 1 1 109 109 VAL HG21 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1038 . 1 1 109 109 VAL HG22 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1039 . 1 1 109 109 VAL HG23 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1040 . 1 1 109 109 VAL CA C 13 59.80 0.20 . 1 . . . . 109 V CA . 4958 1 1041 . 1 1 109 109 VAL N N 15 124.42 0.33 . 1 . . . . 109 V N . 4958 1 1042 . 1 1 110 110 PRO HA H 1 4.42 0.05 . 1 . . . . 110 P HA . 4958 1 1043 . 1 1 110 110 PRO HB2 H 1 2.00 0.05 . 2 . . . . 110 P HB2 . 4958 1 1044 . 1 1 110 110 PRO HB3 H 1 2.46 0.05 . 2 . . . . 110 P HB3 . 4958 1 1045 . 1 1 110 110 PRO HG2 H 1 1.89 0.05 . 1 . . . . 110 P HG . 4958 1 1046 . 1 1 110 110 PRO HG3 H 1 1.89 0.05 . 1 . . . . 110 P HG . 4958 1 1047 . 1 1 110 110 PRO HD2 H 1 3.50 0.05 . 1 . . . . 110 P HD . 4958 1 1048 . 1 1 110 110 PRO HD3 H 1 3.50 0.05 . 1 . . . . 110 P HD . 4958 1 1049 . 1 1 110 110 PRO C C 13 175.45 0.20 . 1 . . . . 110 P C . 4958 1 1050 . 1 1 110 110 PRO CA C 13 62.73 0.20 . 1 . . . . 110 P CA . 4958 1 1051 . 1 1 110 110 PRO CB C 13 33.46 0.20 . 1 . . . . 110 P CB . 4958 1 1052 . 1 1 110 110 PRO CG C 13 25.43 0.20 . 1 . . . . 110 P CG . 4958 1 1053 . 1 1 110 110 PRO CD C 13 50.34 0.20 . 1 . . . . 110 P CD . 4958 1 1054 . 1 1 111 111 LEU H H 1 9.35 0.02 . 1 . . . . 111 L HN . 4958 1 1055 . 1 1 111 111 LEU HA H 1 4.42 0.05 . 1 . . . . 111 L HA . 4958 1 1056 . 1 1 111 111 LEU HB2 H 1 1.65 0.05 . 2 . . . . 111 L HB2 . 4958 1 1057 . 1 1 111 111 LEU HB3 H 1 1.78 0.05 . 2 . . . . 111 L HB3 . 4958 1 1058 . 1 1 111 111 LEU HD11 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1059 . 1 1 111 111 LEU HD12 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1060 . 1 1 111 111 LEU HD13 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1061 . 1 1 111 111 LEU HD21 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1062 . 1 1 111 111 LEU HD22 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1063 . 1 1 111 111 LEU HD23 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1064 . 1 1 111 111 LEU C C 13 176.95 0.20 . 1 . . . . 111 L C . 4958 1 1065 . 1 1 111 111 LEU CA C 13 55.90 0.20 . 1 . . . . 111 L CA . 4958 1 1066 . 1 1 111 111 LEU CB C 13 42.27 0.20 . 1 . . . . 111 L CB . 4958 1 1067 . 1 1 111 111 LEU CG C 13 26.92 0.20 . 1 . . . . 111 L CG . 4958 1 1068 . 1 1 111 111 LEU CD1 C 13 24.58 0.20 . 1 . . . . 111 L CD1 . 4958 1 1069 . 1 1 111 111 LEU CD2 C 13 23.61 0.20 . 1 . . . . 111 L CD2 . 4958 1 1070 . 1 1 111 111 LEU N N 15 127.64 0.33 . 1 . . . . 111 L N . 4958 1 1071 . 1 1 112 112 THR H H 1 7.64 0.02 . 1 . . . . 112 T HN . 4958 1 1072 . 1 1 112 112 THR HA H 1 4.13 0.05 . 1 . . . . 112 T HA . 4958 1 1073 . 1 1 112 112 THR CA C 13 62.75 0.20 . 1 . . . . 112 T CA . 4958 1 1074 . 1 1 112 112 THR N N 15 119.28 0.33 . 1 . . . . 112 T N . 4958 1 stop_ save_