data_4259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4259 _Entry.Title ; Sequential Assignment and Solution Secondary Structure of Doubly Labelled Ribonuclease Sa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-10-29 _Entry.Accession_date 1999-03-25 _Entry.Last_release_date 1998-10-30 _Entry.Original_release_date 1998-10-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Douglas Laurents . V. . . 4259 2 'Jose Manuel' Perez-Canadillas . . . . 4259 3 Marta Bruix . . . . 4259 4 Jorge Santoro . . . . 4259 5 David Schell . . . . 4259 6 Eric Hebert . J. . . 4259 7 C. Pace . Nick . . 4259 8 Manuel Rico . . . . 4259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 4259 '15N chemical shifts' 96 4259 '1H chemical shifts' 635 4259 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 1 . . 1999-11-23 . original BMRB . 4259 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4259 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99311320 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequential Assignment and Solution Secondary Structure of Doubly Labelled Ribonuclease Sa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 89 _Citation.Page_last 90 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Douglas Laurents . V. . . 4259 1 2 'Jose Manuel' Perez-Canadillas . . . . 4259 1 3 Jorge Santoro . . . . 4259 1 4 Manuel Rico . . . . 4259 1 5 David Schell . . . . 4259 1 6 Eric Hebert . J. . . 4259 1 7 C. Pace . Nick . . 4259 1 8 Marta Bruix . . . . 4259 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical shift index' 4259 1 'NMR assignment' 4259 1 'Protein stability' 4259 1 'Ribonuclease Sa' 4259 1 'Secondary Structure' 4259 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4259 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10382311 _Citation.Full_citation ; Laurents, DV, Perez-Ca?adillas, JM, Santoro, J, Rico, M. Schell, D, Hebert, EJ, Pace, CN & Bruix, M. "Sequential Assignment and Solution Secondary Strucuture of Doubly Labbelled Ribonuclease Sa" for submission to J. Biomol. NMR (1998) ; _Citation.Title ; Sequential assignment and solution secondary structure of doubly labelled ribonuclease Sa. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 89 _Citation.Page_last 90 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D V' Laurents D. V. . . 4259 2 2 'J M' Perez-Canadillas J. M. . . 4259 2 3 J Santoro J. . . . 4259 2 4 M Rico M. . . . 4259 2 5 D Schell D. . . . 4259 2 6 'E J' Hebert E. J. . . 4259 2 7 'C N' Pace C. N. . . 4259 2 8 M Bruix M. . . . 4259 2 stop_ save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4259 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title ; 1H, 13C and 15N chemical shift referencing in biomolecular NMR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D S' Wishart D. S. . . 4259 3 2 'C G' Bigam C. G. . . 4259 3 3 J Yao J. . . . 4259 3 4 F Abildgaard F. . . . 4259 3 5 'H J' Dyson H. J. . . 4259 3 6 E Oldfield E. . . . 4259 3 7 'J L' Markley J. L. . . 4259 3 8 'B D' Sykes B. D. . . 4259 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNAse-SA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNAse-SA _Assembly.Entry_ID 4259 _Assembly.ID 1 _Assembly.Name RNAse-SA _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'fully oxidized' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.27.3 _Assembly.Details ; Crystal structure is of RNAse SA at ph 6.7 in the presence of 22% ammonium sulfate and 0.1 m phosphate buffer, at room temperature. NMR assignments are at ph 5.5, no buffer at 303 K ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4259 1 stop_ 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 RNAse-SA 1 $RNAse-SA . . . native . . . . . 4259 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 4259 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 7 7 HG . . . . 4259 1 2 . 1 1 CYS 96 96 HG . . . . 4259 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RNAse-SA abbreviation 4259 1 RNAse-SA system 4259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNAse-SA _Entity.Sf_category entity _Entity.Sf_framecode RNAse-SA _Entity.Entry_ID 4259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNAse-SA _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 ; DVSGTVCLSALPPEATDTLN LIASDGPFPYSQDGVVFQNR ESVLPTQSYGYYHEYTVITP GARTRGTRRIITGEATQEDY YTGDHYATFSLIDQTC ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNAse-SA abbreviation 4259 1 RNAse-SA common 4259 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 . ASP . 4259 1 2 . VAL . 4259 1 3 . SER . 4259 1 4 . GLY . 4259 1 5 . THR . 4259 1 6 . VAL . 4259 1 7 . CYS . 4259 1 8 . LEU . 4259 1 9 . SER . 4259 1 10 . ALA . 4259 1 11 . LEU . 4259 1 12 . PRO . 4259 1 13 . PRO . 4259 1 14 . GLU . 4259 1 15 . ALA . 4259 1 16 . THR . 4259 1 17 . ASP . 4259 1 18 . THR . 4259 1 19 . LEU . 4259 1 20 . ASN . 4259 1 21 . LEU . 4259 1 22 . ILE . 4259 1 23 . ALA . 4259 1 24 . SER . 4259 1 25 . ASP . 4259 1 26 . GLY . 4259 1 27 . PRO . 4259 1 28 . PHE . 4259 1 29 . PRO . 4259 1 30 . TYR . 4259 1 31 . SER . 4259 1 32 . GLN . 4259 1 33 . ASP . 4259 1 34 . GLY . 4259 1 35 . VAL . 4259 1 36 . VAL . 4259 1 37 . PHE . 4259 1 38 . GLN . 4259 1 39 . ASN . 4259 1 40 . ARG . 4259 1 41 . GLU . 4259 1 42 . SER . 4259 1 43 . VAL . 4259 1 44 . LEU . 4259 1 45 . PRO . 4259 1 46 . THR . 4259 1 47 . GLN . 4259 1 48 . SER . 4259 1 49 . TYR . 4259 1 50 . GLY . 4259 1 51 . TYR . 4259 1 52 . TYR . 4259 1 53 . HIS . 4259 1 54 . GLU . 4259 1 55 . TYR . 4259 1 56 . THR . 4259 1 57 . VAL . 4259 1 58 . ILE . 4259 1 59 . THR . 4259 1 60 . PRO . 4259 1 61 . GLY . 4259 1 62 . ALA . 4259 1 63 . ARG . 4259 1 64 . THR . 4259 1 65 . ARG . 4259 1 66 . GLY . 4259 1 67 . THR . 4259 1 68 . ARG . 4259 1 69 . ARG . 4259 1 70 . ILE . 4259 1 71 . ILE . 4259 1 72 . THR . 4259 1 73 . GLY . 4259 1 74 . GLU . 4259 1 75 . ALA . 4259 1 76 . THR . 4259 1 77 . GLN . 4259 1 78 . GLU . 4259 1 79 . ASP . 4259 1 80 . TYR . 4259 1 81 . TYR . 4259 1 82 . THR . 4259 1 83 . GLY . 4259 1 84 . ASP . 4259 1 85 . HIS . 4259 1 86 . TYR . 4259 1 87 . ALA . 4259 1 88 . THR . 4259 1 89 . PHE . 4259 1 90 . SER . 4259 1 91 . LEU . 4259 1 92 . ILE . 4259 1 93 . ASP . 4259 1 94 . GLN . 4259 1 95 . THR . 4259 1 96 . CYS . 4259 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 4259 1 . VAL 2 2 4259 1 . SER 3 3 4259 1 . GLY 4 4 4259 1 . THR 5 5 4259 1 . VAL 6 6 4259 1 . CYS 7 7 4259 1 . LEU 8 8 4259 1 . SER 9 9 4259 1 . ALA 10 10 4259 1 . LEU 11 11 4259 1 . PRO 12 12 4259 1 . PRO 13 13 4259 1 . GLU 14 14 4259 1 . ALA 15 15 4259 1 . THR 16 16 4259 1 . ASP 17 17 4259 1 . THR 18 18 4259 1 . LEU 19 19 4259 1 . ASN 20 20 4259 1 . LEU 21 21 4259 1 . ILE 22 22 4259 1 . ALA 23 23 4259 1 . SER 24 24 4259 1 . ASP 25 25 4259 1 . GLY 26 26 4259 1 . PRO 27 27 4259 1 . PHE 28 28 4259 1 . PRO 29 29 4259 1 . TYR 30 30 4259 1 . SER 31 31 4259 1 . GLN 32 32 4259 1 . ASP 33 33 4259 1 . GLY 34 34 4259 1 . VAL 35 35 4259 1 . VAL 36 36 4259 1 . PHE 37 37 4259 1 . GLN 38 38 4259 1 . ASN 39 39 4259 1 . ARG 40 40 4259 1 . GLU 41 41 4259 1 . SER 42 42 4259 1 . VAL 43 43 4259 1 . LEU 44 44 4259 1 . PRO 45 45 4259 1 . THR 46 46 4259 1 . GLN 47 47 4259 1 . SER 48 48 4259 1 . TYR 49 49 4259 1 . GLY 50 50 4259 1 . TYR 51 51 4259 1 . TYR 52 52 4259 1 . HIS 53 53 4259 1 . GLU 54 54 4259 1 . TYR 55 55 4259 1 . THR 56 56 4259 1 . VAL 57 57 4259 1 . ILE 58 58 4259 1 . THR 59 59 4259 1 . PRO 60 60 4259 1 . GLY 61 61 4259 1 . ALA 62 62 4259 1 . ARG 63 63 4259 1 . THR 64 64 4259 1 . ARG 65 65 4259 1 . GLY 66 66 4259 1 . THR 67 67 4259 1 . ARG 68 68 4259 1 . ARG 69 69 4259 1 . ILE 70 70 4259 1 . ILE 71 71 4259 1 . THR 72 72 4259 1 . GLY 73 73 4259 1 . GLU 74 74 4259 1 . ALA 75 75 4259 1 . THR 76 76 4259 1 . GLN 77 77 4259 1 . GLU 78 78 4259 1 . ASP 79 79 4259 1 . TYR 80 80 4259 1 . TYR 81 81 4259 1 . THR 82 82 4259 1 . GLY 83 83 4259 1 . ASP 84 84 4259 1 . HIS 85 85 4259 1 . TYR 86 86 4259 1 . ALA 87 87 4259 1 . THR 88 88 4259 1 . PHE 89 89 4259 1 . SER 90 90 4259 1 . LEU 91 91 4259 1 . ILE 92 92 4259 1 . ASP 93 93 4259 1 . GLN 94 94 4259 1 . THR 95 95 4259 1 . CYS 96 96 4259 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 4259 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNAse-SA . 1894 . . 'Streptomyces aureofaciens' 'S. aureofaciens' . . Eubacteria . Streptomyces aureofaciens . . . . . . . . . . . . . 4259 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 4259 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNAse-SA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'RY 1988' . . plasmid . . pEH100 . . . 4259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4259 _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 RNAse-SA . . . 1 $RNAse-SA . . . 1.5 2.0 mM . . . . 4259 1 2 H2O . . . . . . . 90 . . % . . . . 4259 1 3 D2O . . . . . . . 10 . . % . . . . 4259 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4259 _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 RNAse-SA . . . 1 $RNAse-SA . . . 1.5 2.0 mM . . . . 4259 2 2 D2O . . . . . . . 100 . . % . . . . 4259 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4259 _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 RNAse-SA [U-15N] . . 1 $RNAse-SA . . . 1.5 2.0 mM . . . . 4259 3 2 H2O . . . . . . . 90 . . % . . . . 4259 3 3 D2O . . . . . . . 10 . . % . . . . 4259 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4259 _Sample.ID 4 _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 RNAse-SA '[U-15N; 13C]' . . 1 $RNAse-SA . . . 1.5 2.0 mM . . . . 4259 4 2 H2O . . . . . . . 90 . . % . . . . 4259 4 3 D2O . . . . . . . 10 . . % . . . . 4259 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4259 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; These are the conditions used for samples 1, 3 AND 4, where the solvent was H2O/D2O (90%/10%) by volume. The pH* was adjusted without buffer using small amounts of HCl or NaOH. There were no salts. ; 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* 5.5 0.1 n/a 4259 1 temperature 303.2 0.1 K 4259 1 stop_ save_ save_sample_conditions_two _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_two _Sample_condition_list.Entry_ID 4259 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; These are the conditions used for sample 2, where the solvent was D2O. The pH* was adjusted without buffer using small amounts of HCl or NaOH. There were no salts. ; 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* 5.5 0.1 n/a 4259 2 temperature 303 0.1 K 4259 2 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4259 _Software.ID 1 _Software.Type . _Software.Name ANSIG _Software.Version 3.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Used for assigning the spectra. Automatic peak picking in 2D' 4259 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4259 _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_one Bruker AMX . 600 . . . 4259 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 4259 _Experiment_list.ID 1 _Experiment_list.Details ; The 2D COSY, TOCSY and NOESY spectrum were recorded in H2O/D2O and in D2O ; 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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 4 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 5 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 6 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 8 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4259 1 stop_ 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 4259 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 4259 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . . . . . . 4259 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 4259 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _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 COSY 1 $sample_one . 4259 1 2 NOESY 2 $sample_two . 4259 1 3 TOCSY 3 $sample_three . 4259 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.38 . . 1 . . . . . . . . . 4259 1 2 . 1 1 1 1 ASP HB2 H 1 2.85 . . 1 . . . . . . . . . 4259 1 3 . 1 1 1 1 ASP HB3 H 1 2.70 . . 1 . . . . . . . . . 4259 1 4 . 1 1 1 1 ASP C C 13 167.7 . . 1 . . . . . . . . . 4259 1 5 . 1 1 1 1 ASP CA C 13 53.5 . . 1 . . . . . . . . . 4259 1 6 . 1 1 2 2 VAL H H 1 9.00 . . 1 . . . . . . . . . 4259 1 7 . 1 1 2 2 VAL HA H 1 4.06 . . 1 . . . . . . . . . 4259 1 8 . 1 1 2 2 VAL HB H 1 2.27 . . 1 . . . . . . . . . 4259 1 9 . 1 1 2 2 VAL HG11 H 1 1.27 . . 1 . . . . . . . . . 4259 1 10 . 1 1 2 2 VAL HG12 H 1 1.27 . . 1 . . . . . . . . . 4259 1 11 . 1 1 2 2 VAL HG13 H 1 1.27 . . 1 . . . . . . . . . 4259 1 12 . 1 1 2 2 VAL HG21 H 1 1.02 . . 1 . . . . . . . . . 4259 1 13 . 1 1 2 2 VAL HG22 H 1 1.02 . . 1 . . . . . . . . . 4259 1 14 . 1 1 2 2 VAL HG23 H 1 1.02 . . 1 . . . . . . . . . 4259 1 15 . 1 1 2 2 VAL C C 13 175.9 . . 1 . . . . . . . . . 4259 1 16 . 1 1 2 2 VAL CA C 13 63.0 . . 1 . . . . . . . . . 4259 1 17 . 1 1 2 2 VAL N N 15 121.7 . . 1 . . . . . . . . . 4259 1 18 . 1 1 3 3 SER H H 1 9.28 . . 1 . . . . . . . . . 4259 1 19 . 1 1 3 3 SER HA H 1 4.60 . . 1 . . . . . . . . . 4259 1 20 . 1 1 3 3 SER HB2 H 1 4.10 . . 1 . . . . . . . . . 4259 1 21 . 1 1 3 3 SER HB3 H 1 3.95 . . 1 . . . . . . . . . 4259 1 22 . 1 1 3 3 SER C C 13 171.9 . . 1 . . . . . . . . . 4259 1 23 . 1 1 3 3 SER CA C 13 59.2 . . 1 . . . . . . . . . 4259 1 24 . 1 1 3 3 SER N N 15 123.1 . . 1 . . . . . . . . . 4259 1 25 . 1 1 4 4 GLY H H 1 7.75 . . 1 . . . . . . . . . 4259 1 26 . 1 1 4 4 GLY HA2 H 1 4.28 . . 1 . . . . . . . . . 4259 1 27 . 1 1 4 4 GLY HA3 H 1 4.08 . . 1 . . . . . . . . . 4259 1 28 . 1 1 4 4 GLY C C 13 167.6 . . 1 . . . . . . . . . 4259 1 29 . 1 1 4 4 GLY CA C 13 45.3 . . 1 . . . . . . . . . 4259 1 30 . 1 1 4 4 GLY N N 15 109.4 . . 1 . . . . . . . . . 4259 1 31 . 1 1 5 5 THR H H 1 8.34 . . 1 . . . . . . . . . 4259 1 32 . 1 1 5 5 THR HA H 1 5.56 . . 1 . . . . . . . . . 4259 1 33 . 1 1 5 5 THR HB H 1 4.02 . . 1 . . . . . . . . . 4259 1 34 . 1 1 5 5 THR HG21 H 1 1.22 . . 1 . . . . . . . . . 4259 1 35 . 1 1 5 5 THR HG22 H 1 1.22 . . 1 . . . . . . . . . 4259 1 36 . 1 1 5 5 THR HG23 H 1 1.22 . . 1 . . . . . . . . . 4259 1 37 . 1 1 5 5 THR C C 13 171.2 . . 1 . . . . . . . . . 4259 1 38 . 1 1 5 5 THR CA C 13 60.6 . . 1 . . . . . . . . . 4259 1 39 . 1 1 5 5 THR N N 15 115.3 . . 1 . . . . . . . . . 4259 1 40 . 1 1 6 6 VAL H H 1 9.17 . . 1 . . . . . . . . . 4259 1 41 . 1 1 6 6 VAL HA H 1 4.59 . . 1 . . . . . . . . . 4259 1 42 . 1 1 6 6 VAL HB H 1 1.89 . . 1 . . . . . . . . . 4259 1 43 . 1 1 6 6 VAL HG11 H 1 0.95 . . 1 . . . . . . . . . 4259 1 44 . 1 1 6 6 VAL HG12 H 1 0.95 . . 1 . . . . . . . . . 4259 1 45 . 1 1 6 6 VAL HG13 H 1 0.95 . . 1 . . . . . . . . . 4259 1 46 . 1 1 6 6 VAL HG21 H 1 0.83 . . 1 . . . . . . . . . 4259 1 47 . 1 1 6 6 VAL HG22 H 1 0.83 . . 1 . . . . . . . . . 4259 1 48 . 1 1 6 6 VAL HG23 H 1 0.83 . . 1 . . . . . . . . . 4259 1 49 . 1 1 6 6 VAL C C 13 170.5 . . 1 . . . . . . . . . 4259 1 50 . 1 1 6 6 VAL CA C 13 59.0 . . 1 . . . . . . . . . 4259 1 51 . 1 1 6 6 VAL N N 15 123.5 . . 1 . . . . . . . . . 4259 1 52 . 1 1 7 7 CYS H H 1 8.83 . . 1 . . . . . . . . . 4259 1 53 . 1 1 7 7 CYS HA H 1 4.90 . . 1 . . . . . . . . . 4259 1 54 . 1 1 7 7 CYS HB2 H 1 3.31 . . 1 . . . . . . . . . 4259 1 55 . 1 1 7 7 CYS HB3 H 1 2.62 . . 1 . . . . . . . . . 4259 1 56 . 1 1 7 7 CYS C C 13 174.9 . . 1 . . . . . . . . . 4259 1 57 . 1 1 7 7 CYS CA C 13 56.0 . . 1 . . . . . . . . . 4259 1 58 . 1 1 7 7 CYS N N 15 126.1 . . 1 . . . . . . . . . 4259 1 59 . 1 1 8 8 LEU H H 1 8.52 . . 1 . . . . . . . . . 4259 1 60 . 1 1 8 8 LEU HA H 1 3.84 . . 1 . . . . . . . . . 4259 1 61 . 1 1 8 8 LEU HB2 H 1 2.05 . . 1 . . . . . . . . . 4259 1 62 . 1 1 8 8 LEU HB3 H 1 1.25 . . 1 . . . . . . . . . 4259 1 63 . 1 1 8 8 LEU HG H 1 1.45 . . 1 . . . . . . . . . 4259 1 64 . 1 1 8 8 LEU HD11 H 1 0.80 . . 1 . . . . . . . . . 4259 1 65 . 1 1 8 8 LEU HD12 H 1 0.80 . . 1 . . . . . . . . . 4259 1 66 . 1 1 8 8 LEU HD13 H 1 0.80 . . 1 . . . . . . . . . 4259 1 67 . 1 1 8 8 LEU HD21 H 1 0.91 . . 1 . . . . . . . . . 4259 1 68 . 1 1 8 8 LEU HD22 H 1 0.91 . . 1 . . . . . . . . . 4259 1 69 . 1 1 8 8 LEU HD23 H 1 0.91 . . 1 . . . . . . . . . 4259 1 70 . 1 1 8 8 LEU C C 13 181.0 . . 1 . . . . . . . . . 4259 1 71 . 1 1 8 8 LEU CA C 13 58.1 . . 1 . . . . . . . . . 4259 1 72 . 1 1 8 8 LEU N N 15 126.6 . . 1 . . . . . . . . . 4259 1 73 . 1 1 9 9 SER H H 1 9.20 . . 1 . . . . . . . . . 4259 1 74 . 1 1 9 9 SER HA H 1 4.11 . . 1 . . . . . . . . . 4259 1 75 . 1 1 9 9 SER HB2 H 1 3.93 . . 1 . . . . . . . . . 4259 1 76 . 1 1 9 9 SER HB3 H 1 3.93 . . 1 . . . . . . . . . 4259 1 77 . 1 1 9 9 SER C C 13 173.0 . . 1 . . . . . . . . . 4259 1 78 . 1 1 9 9 SER CA C 13 61.0 . . 1 . . . . . . . . . 4259 1 79 . 1 1 9 9 SER N N 15 113.6 . . 1 . . . . . . . . . 4259 1 80 . 1 1 10 10 ALA H H 1 7.56 . . 1 . . . . . . . . . 4259 1 81 . 1 1 10 10 ALA HA H 1 4.42 . . 1 . . . . . . . . . 4259 1 82 . 1 1 10 10 ALA HB1 H 1 1.43 . . 1 . . . . . . . . . 4259 1 83 . 1 1 10 10 ALA HB2 H 1 1.43 . . 1 . . . . . . . . . 4259 1 84 . 1 1 10 10 ALA HB3 H 1 1.43 . . 1 . . . . . . . . . 4259 1 85 . 1 1 10 10 ALA C C 13 178.7 . . 1 . . . . . . . . . 4259 1 86 . 1 1 10 10 ALA CA C 13 51.7 . . 1 . . . . . . . . . 4259 1 87 . 1 1 10 10 ALA N N 15 124.0 . . 1 . . . . . . . . . 4259 1 88 . 1 1 11 11 LEU H H 1 7.31 . . 1 . . . . . . . . . 4259 1 89 . 1 1 11 11 LEU HA H 1 4.38 . . 1 . . . . . . . . . 4259 1 90 . 1 1 11 11 LEU HB2 H 1 1.76 . . 1 . . . . . . . . . 4259 1 91 . 1 1 11 11 LEU HB3 H 1 0.87 . . 1 . . . . . . . . . 4259 1 92 . 1 1 11 11 LEU HG H 1 1.64 . . 1 . . . . . . . . . 4259 1 93 . 1 1 11 11 LEU HD11 H 1 0.43 . . 1 . . . . . . . . . 4259 1 94 . 1 1 11 11 LEU HD12 H 1 0.43 . . 1 . . . . . . . . . 4259 1 95 . 1 1 11 11 LEU HD13 H 1 0.43 . . 1 . . . . . . . . . 4259 1 96 . 1 1 11 11 LEU HD21 H 1 0.08 . . 1 . . . . . . . . . 4259 1 97 . 1 1 11 11 LEU HD22 H 1 0.08 . . 1 . . . . . . . . . 4259 1 98 . 1 1 11 11 LEU HD23 H 1 0.08 . . 1 . . . . . . . . . 4259 1 99 . 1 1 11 11 LEU CA C 13 52.2 . . 1 . . . . . . . . . 4259 1 100 . 1 1 11 11 LEU N N 15 120.6 . . 1 . . . . . . . . . 4259 1 101 . 1 1 12 12 PRO HA H 1 4.72 . . 1 . . . . . . . . . 4259 1 102 . 1 1 12 12 PRO HB2 H 1 2.70 . . 1 . . . . . . . . . 4259 1 103 . 1 1 12 12 PRO HB3 H 1 1.95 . . 1 . . . . . . . . . 4259 1 104 . 1 1 12 12 PRO HG2 H 1 2.15 . . 1 . . . . . . . . . 4259 1 105 . 1 1 12 12 PRO HG3 H 1 1.62 . . 1 . . . . . . . . . 4259 1 106 . 1 1 12 12 PRO HD2 H 1 3.70 . . 1 . . . . . . . . . 4259 1 107 . 1 1 12 12 PRO HD3 H 1 3.20 . . 1 . . . . . . . . . 4259 1 108 . 1 1 13 13 PRO HA H 1 4.37 . . 1 . . . . . . . . . 4259 1 109 . 1 1 13 13 PRO HB2 H 1 2.38 . . 1 . . . . . . . . . 4259 1 110 . 1 1 13 13 PRO HB3 H 1 2.23 . . 1 . . . . . . . . . 4259 1 111 . 1 1 13 13 PRO HG2 H 1 2.14 . . 1 . . . . . . . . . 4259 1 112 . 1 1 13 13 PRO HG3 H 1 2.02 . . 1 . . . . . . . . . 4259 1 113 . 1 1 13 13 PRO HD2 H 1 3.98 . . 1 . . . . . . . . . 4259 1 114 . 1 1 13 13 PRO HD3 H 1 3.85 . . 1 . . . . . . . . . 4259 1 115 . 1 1 13 13 PRO C C 13 179.7 . . 1 . . . . . . . . . 4259 1 116 . 1 1 13 13 PRO CA C 13 65.4 . . 1 . . . . . . . . . 4259 1 117 . 1 1 14 14 GLU H H 1 8.60 . . 1 . . . . . . . . . 4259 1 118 . 1 1 14 14 GLU HA H 1 4.24 . . 1 . . . . . . . . . 4259 1 119 . 1 1 14 14 GLU HB2 H 1 2.04 . . 1 . . . . . . . . . 4259 1 120 . 1 1 14 14 GLU HB3 H 1 1.95 . . 1 . . . . . . . . . 4259 1 121 . 1 1 14 14 GLU HG2 H 1 2.36 . . 1 . . . . . . . . . 4259 1 122 . 1 1 14 14 GLU HG3 H 1 2.18 . . 1 . . . . . . . . . 4259 1 123 . 1 1 14 14 GLU C C 13 181.2 . . 1 . . . . . . . . . 4259 1 124 . 1 1 14 14 GLU CA C 13 60.7 . . 1 . . . . . . . . . 4259 1 125 . 1 1 14 14 GLU N N 15 116.3 . . 1 . . . . . . . . . 4259 1 126 . 1 1 15 15 ALA H H 1 8.49 . . 1 . . . . . . . . . 4259 1 127 . 1 1 15 15 ALA HA H 1 4.20 . . 1 . . . . . . . . . 4259 1 128 . 1 1 15 15 ALA HB1 H 1 1.38 . . 1 . . . . . . . . . 4259 1 129 . 1 1 15 15 ALA HB2 H 1 1.38 . . 1 . . . . . . . . . 4259 1 130 . 1 1 15 15 ALA HB3 H 1 1.38 . . 1 . . . . . . . . . 4259 1 131 . 1 1 15 15 ALA C C 13 181.2 . . 1 . . . . . . . . . 4259 1 132 . 1 1 15 15 ALA CA C 13 60.7 . . 1 . . . . . . . . . 4259 1 133 . 1 1 15 15 ALA N N 15 121.7 . . 1 . . . . . . . . . 4259 1 134 . 1 1 16 16 THR H H 1 7.15 . . 1 . . . . . . . . . 4259 1 135 . 1 1 16 16 THR HA H 1 3.83 . . 1 . . . . . . . . . 4259 1 136 . 1 1 16 16 THR HB H 1 4.42 . . 1 . . . . . . . . . 4259 1 137 . 1 1 16 16 THR HG21 H 1 1.20 . . 1 . . . . . . . . . 4259 1 138 . 1 1 16 16 THR HG22 H 1 1.20 . . 1 . . . . . . . . . 4259 1 139 . 1 1 16 16 THR HG23 H 1 1.20 . . 1 . . . . . . . . . 4259 1 140 . 1 1 16 16 THR C C 13 174.9 . . 1 . . . . . . . . . 4259 1 141 . 1 1 16 16 THR CA C 13 67.6 . . 1 . . . . . . . . . 4259 1 142 . 1 1 16 16 THR N N 15 115.0 . . 1 . . . . . . . . . 4259 1 143 . 1 1 17 17 ASP H H 1 7.07 . . 1 . . . . . . . . . 4259 1 144 . 1 1 17 17 ASP HA H 1 4.42 . . 1 . . . . . . . . . 4259 1 145 . 1 1 17 17 ASP HB2 H 1 3.07 . . 1 . . . . . . . . . 4259 1 146 . 1 1 17 17 ASP HB3 H 1 2.81 . . 1 . . . . . . . . . 4259 1 147 . 1 1 17 17 ASP C C 13 180.9 . . 1 . . . . . . . . . 4259 1 148 . 1 1 17 17 ASP CA C 13 57.7 . . 1 . . . . . . . . . 4259 1 149 . 1 1 17 17 ASP N N 15 120.7 . . 1 . . . . . . . . . 4259 1 150 . 1 1 18 18 THR H H 1 8.25 . . 1 . . . . . . . . . 4259 1 151 . 1 1 18 18 THR HA H 1 4.23 . . 1 . . . . . . . . . 4259 1 152 . 1 1 18 18 THR HB H 1 4.00 . . 1 . . . . . . . . . 4259 1 153 . 1 1 18 18 THR C C 13 174.6 . . 1 . . . . . . . . . 4259 1 154 . 1 1 18 18 THR CA C 13 69.0 . . 1 . . . . . . . . . 4259 1 155 . 1 1 18 18 THR N N 15 116.8 . . 1 . . . . . . . . . 4259 1 156 . 1 1 19 19 LEU H H 1 7.94 . . 1 . . . . . . . . . 4259 1 157 . 1 1 19 19 LEU HA H 1 3.93 . . 1 . . . . . . . . . 4259 1 158 . 1 1 19 19 LEU HB2 H 1 1.97 . . 1 . . . . . . . . . 4259 1 159 . 1 1 19 19 LEU HB3 H 1 1.48 . . 1 . . . . . . . . . 4259 1 160 . 1 1 19 19 LEU HG H 1 1.75 . . 1 . . . . . . . . . 4259 1 161 . 1 1 19 19 LEU HD11 H 1 0.79 . . 1 . . . . . . . . . 4259 1 162 . 1 1 19 19 LEU HD12 H 1 0.79 . . 1 . . . . . . . . . 4259 1 163 . 1 1 19 19 LEU HD13 H 1 0.79 . . 1 . . . . . . . . . 4259 1 164 . 1 1 19 19 LEU HD21 H 1 0.76 . . 1 . . . . . . . . . 4259 1 165 . 1 1 19 19 LEU HD22 H 1 0.76 . . 1 . . . . . . . . . 4259 1 166 . 1 1 19 19 LEU HD23 H 1 0.76 . . 1 . . . . . . . . . 4259 1 167 . 1 1 19 19 LEU C C 13 182.9 . . 1 . . . . . . . . . 4259 1 168 . 1 1 19 19 LEU CA C 13 58.6 . . 1 . . . . . . . . . 4259 1 169 . 1 1 19 19 LEU N N 15 121.1 . . 1 . . . . . . . . . 4259 1 170 . 1 1 20 20 ASN H H 1 8.32 . . 1 . . . . . . . . . 4259 1 171 . 1 1 20 20 ASN HA H 1 4.53 . . 1 . . . . . . . . . 4259 1 172 . 1 1 20 20 ASN HB2 H 1 3.04 . . 1 . . . . . . . . . 4259 1 173 . 1 1 20 20 ASN HB3 H 1 2.82 . . 1 . . . . . . . . . 4259 1 174 . 1 1 20 20 ASN HD21 H 1 7.65 . . 1 . . . . . . . . . 4259 1 175 . 1 1 20 20 ASN HD22 H 1 6.87 . . 1 . . . . . . . . . 4259 1 176 . 1 1 20 20 ASN C C 13 179.0 . . 1 . . . . . . . . . 4259 1 177 . 1 1 20 20 ASN CA C 13 55.9 . . 1 . . . . . . . . . 4259 1 178 . 1 1 20 20 ASN N N 15 119.6 . . 1 . . . . . . . . . 4259 1 179 . 1 1 20 20 ASN ND2 N 15 112.2 . . 1 . . . . . . . . . 4259 1 180 . 1 1 21 21 LEU H H 1 8.12 . . 1 . . . . . . . . . 4259 1 181 . 1 1 21 21 LEU HA H 1 4.30 . . 1 . . . . . . . . . 4259 1 182 . 1 1 21 21 LEU HB2 H 1 2.19 . . 1 . . . . . . . . . 4259 1 183 . 1 1 21 21 LEU HB3 H 1 2.19 . . 1 . . . . . . . . . 4259 1 184 . 1 1 21 21 LEU HG H 1 1.82 . . 1 . . . . . . . . . 4259 1 185 . 1 1 21 21 LEU HD11 H 1 1.07 . . 1 . . . . . . . . . 4259 1 186 . 1 1 21 21 LEU HD12 H 1 1.07 . . 1 . . . . . . . . . 4259 1 187 . 1 1 21 21 LEU HD13 H 1 1.07 . . 1 . . . . . . . . . 4259 1 188 . 1 1 21 21 LEU HD21 H 1 0.68 . . 1 . . . . . . . . . 4259 1 189 . 1 1 21 21 LEU HD22 H 1 0.68 . . 1 . . . . . . . . . 4259 1 190 . 1 1 21 21 LEU HD23 H 1 0.68 . . 1 . . . . . . . . . 4259 1 191 . 1 1 21 21 LEU C C 13 183.0 . . 1 . . . . . . . . . 4259 1 192 . 1 1 21 21 LEU CA C 13 56.8 . . 1 . . . . . . . . . 4259 1 193 . 1 1 21 21 LEU N N 15 122.4 . . 1 . . . . . . . . . 4259 1 194 . 1 1 22 22 ILE H H 1 8.72 . . 1 . . . . . . . . . 4259 1 195 . 1 1 22 22 ILE HA H 1 3.58 . . 1 . . . . . . . . . 4259 1 196 . 1 1 22 22 ILE HB H 1 1.73 . . 1 . . . . . . . . . 4259 1 197 . 1 1 22 22 ILE HG12 H 1 1.44 . . 1 . . . . . . . . . 4259 1 198 . 1 1 22 22 ILE HG13 H 1 -0.80 . . 1 . . . . . . . . . 4259 1 199 . 1 1 22 22 ILE HG21 H 1 0.71 . . 1 . . . . . . . . . 4259 1 200 . 1 1 22 22 ILE HG22 H 1 0.71 . . 1 . . . . . . . . . 4259 1 201 . 1 1 22 22 ILE HG23 H 1 0.71 . . 1 . . . . . . . . . 4259 1 202 . 1 1 22 22 ILE HD11 H 1 0.30 . . 1 . . . . . . . . . 4259 1 203 . 1 1 22 22 ILE HD12 H 1 0.30 . . 1 . . . . . . . . . 4259 1 204 . 1 1 22 22 ILE HD13 H 1 0.30 . . 1 . . . . . . . . . 4259 1 205 . 1 1 22 22 ILE C C 13 182.7 . . 1 . . . . . . . . . 4259 1 206 . 1 1 22 22 ILE CA C 13 66.7 . . 1 . . . . . . . . . 4259 1 207 . 1 1 22 22 ILE N N 15 122.0 . . 1 . . . . . . . . . 4259 1 208 . 1 1 23 23 ALA H H 1 7.62 . . 1 . . . . . . . . . 4259 1 209 . 1 1 23 23 ALA HA H 1 4.21 . . 1 . . . . . . . . . 4259 1 210 . 1 1 23 23 ALA HB1 H 1 1.58 . . 1 . . . . . . . . . 4259 1 211 . 1 1 23 23 ALA HB2 H 1 1.58 . . 1 . . . . . . . . . 4259 1 212 . 1 1 23 23 ALA HB3 H 1 1.58 . . 1 . . . . . . . . . 4259 1 213 . 1 1 23 23 ALA C C 13 180.8 . . 1 . . . . . . . . . 4259 1 214 . 1 1 23 23 ALA CA C 13 55.7 . . 1 . . . . . . . . . 4259 1 215 . 1 1 23 23 ALA N N 15 121.1 . . 1 . . . . . . . . . 4259 1 216 . 1 1 24 24 SER H H 1 7.80 . . 1 . . . . . . . . . 4259 1 217 . 1 1 24 24 SER HA H 1 4.46 . . 1 . . . . . . . . . 4259 1 218 . 1 1 24 24 SER HB2 H 1 4.28 . . 1 . . . . . . . . . 4259 1 219 . 1 1 24 24 SER HB3 H 1 3.70 . . 1 . . . . . . . . . 4259 1 220 . 1 1 24 24 SER C C 13 171.0 . . 1 . . . . . . . . . 4259 1 221 . 1 1 24 24 SER CA C 13 58.4 . . 1 . . . . . . . . . 4259 1 222 . 1 1 24 24 SER N N 15 111.6 . . 1 . . . . . . . . . 4259 1 223 . 1 1 25 25 ASP H H 1 8.03 . . 1 . . . . . . . . . 4259 1 224 . 1 1 25 25 ASP HA H 1 4.46 . . 1 . . . . . . . . . 4259 1 225 . 1 1 25 25 ASP HB2 H 1 3.24 . . 1 . . . . . . . . . 4259 1 226 . 1 1 25 25 ASP HB3 H 1 2.68 . . 1 . . . . . . . . . 4259 1 227 . 1 1 25 25 ASP C C 13 172.9 . . 1 . . . . . . . . . 4259 1 228 . 1 1 25 25 ASP CA C 13 55.1 . . 1 . . . . . . . . . 4259 1 229 . 1 1 25 25 ASP N N 15 121.0 . . 1 . . . . . . . . . 4259 1 230 . 1 1 26 26 GLY H H 1 8.57 . . 1 . . . . . . . . . 4259 1 231 . 1 1 26 26 GLY HA2 H 1 3.46 . . 1 . . . . . . . . . 4259 1 232 . 1 1 26 26 GLY HA3 H 1 1.71 . . 1 . . . . . . . . . 4259 1 233 . 1 1 26 26 GLY CA C 13 42.8 . . 1 . . . . . . . . . 4259 1 234 . 1 1 26 26 GLY N N 15 107.7 . . 1 . . . . . . . . . 4259 1 235 . 1 1 27 27 PRO HA H 1 4.44 . . 1 . . . . . . . . . 4259 1 236 . 1 1 27 27 PRO HB2 H 1 2.37 . . 1 . . . . . . . . . 4259 1 237 . 1 1 27 27 PRO HB3 H 1 1.96 . . 1 . . . . . . . . . 4259 1 238 . 1 1 27 27 PRO HG2 H 1 1.89 . . 1 . . . . . . . . . 4259 1 239 . 1 1 27 27 PRO HG3 H 1 1.85 . . 1 . . . . . . . . . 4259 1 240 . 1 1 27 27 PRO HD2 H 1 3.34 . . 1 . . . . . . . . . 4259 1 241 . 1 1 27 27 PRO HD3 H 1 3.47 . . 1 . . . . . . . . . 4259 1 242 . 1 1 27 27 PRO C C 13 173.7 . . 1 . . . . . . . . . 4259 1 243 . 1 1 27 27 PRO CA C 13 62.3 . . 1 . . . . . . . . . 4259 1 244 . 1 1 28 28 PHE H H 1 9.00 . . 1 . . . . . . . . . 4259 1 245 . 1 1 28 28 PHE HA H 1 5.05 . . 1 . . . . . . . . . 4259 1 246 . 1 1 28 28 PHE HB2 H 1 3.78 . . 1 . . . . . . . . . 4259 1 247 . 1 1 28 28 PHE HB3 H 1 2.99 . . 1 . . . . . . . . . 4259 1 248 . 1 1 28 28 PHE HD1 H 1 7.52 . . 1 . . . . . . . . . 4259 1 249 . 1 1 28 28 PHE HD2 H 1 7.52 . . 1 . . . . . . . . . 4259 1 250 . 1 1 28 28 PHE HE1 H 1 7.19 . . 1 . . . . . . . . . 4259 1 251 . 1 1 28 28 PHE HE2 H 1 7.19 . . 1 . . . . . . . . . 4259 1 252 . 1 1 28 28 PHE HZ H 1 7.31 . . 1 . . . . . . . . . 4259 1 253 . 1 1 28 28 PHE CA C 13 56.7 . . 1 . . . . . . . . . 4259 1 254 . 1 1 28 28 PHE N N 15 121.3 . . 1 . . . . . . . . . 4259 1 255 . 1 1 29 29 PRO HA H 1 4.36 . . 1 . . . . . . . . . 4259 1 256 . 1 1 29 29 PRO HB2 H 1 2.45 . . 1 . . . . . . . . . 4259 1 257 . 1 1 29 29 PRO HB3 H 1 2.35 . . 1 . . . . . . . . . 4259 1 258 . 1 1 29 29 PRO HG2 H 1 2.22 . . 1 . . . . . . . . . 4259 1 259 . 1 1 29 29 PRO HG3 H 1 2.22 . . 1 . . . . . . . . . 4259 1 260 . 1 1 29 29 PRO HD2 H 1 4.51 . . 1 . . . . . . . . . 4259 1 261 . 1 1 29 29 PRO HD3 H 1 4.55 . . 1 . . . . . . . . . 4259 1 262 . 1 1 29 29 PRO C C 13 175.1 . . 1 . . . . . . . . . 4259 1 263 . 1 1 29 29 PRO CA C 13 64.9 . . 1 . . . . . . . . . 4259 1 264 . 1 1 30 30 TYR H H 1 7.63 . . 1 . . . . . . . . . 4259 1 265 . 1 1 30 30 TYR HA H 1 4.93 . . 1 . . . . . . . . . 4259 1 266 . 1 1 30 30 TYR HB2 H 1 3.40 . . 1 . . . . . . . . . 4259 1 267 . 1 1 30 30 TYR HB3 H 1 2.73 . . 1 . . . . . . . . . 4259 1 268 . 1 1 30 30 TYR HD1 H 1 7.38 . . 1 . . . . . . . . . 4259 1 269 . 1 1 30 30 TYR HD2 H 1 7.38 . . 1 . . . . . . . . . 4259 1 270 . 1 1 30 30 TYR HE1 H 1 6.80 . . 1 . . . . . . . . . 4259 1 271 . 1 1 30 30 TYR HE2 H 1 6.80 . . 1 . . . . . . . . . 4259 1 272 . 1 1 30 30 TYR C C 13 177.7 . . 1 . . . . . . . . . 4259 1 273 . 1 1 30 30 TYR CA C 13 57.3 . . 1 . . . . . . . . . 4259 1 274 . 1 1 30 30 TYR N N 15 115.7 . . 1 . . . . . . . . . 4259 1 275 . 1 1 31 31 SER H H 1 9.25 . . 1 . . . . . . . . . 4259 1 276 . 1 1 31 31 SER HA H 1 4.28 . . 1 . . . . . . . . . 4259 1 277 . 1 1 31 31 SER C C 13 174.0 . . 1 . . . . . . . . . 4259 1 278 . 1 1 31 31 SER CA C 13 61.1 . . 1 . . . . . . . . . 4259 1 279 . 1 1 31 31 SER N N 15 124.0 . . 1 . . . . . . . . . 4259 1 280 . 1 1 32 32 GLN H H 1 8.13 . . 1 . . . . . . . . . 4259 1 281 . 1 1 32 32 GLN HA H 1 4.14 . . 1 . . . . . . . . . 4259 1 282 . 1 1 32 32 GLN HB2 H 1 2.21 . . 1 . . . . . . . . . 4259 1 283 . 1 1 32 32 GLN HB3 H 1 1.62 . . 1 . . . . . . . . . 4259 1 284 . 1 1 32 32 GLN HG2 H 1 2.51 . . 1 . . . . . . . . . 4259 1 285 . 1 1 32 32 GLN HG3 H 1 2.38 . . 1 . . . . . . . . . 4259 1 286 . 1 1 32 32 GLN HE21 H 1 7.42 . . 1 . . . . . . . . . 4259 1 287 . 1 1 32 32 GLN HE22 H 1 6.77 . . 1 . . . . . . . . . 4259 1 288 . 1 1 32 32 GLN C C 13 173.5 . . 1 . . . . . . . . . 4259 1 289 . 1 1 32 32 GLN CA C 13 57.1 . . 1 . . . . . . . . . 4259 1 290 . 1 1 32 32 GLN N N 15 117.6 . . 1 . . . . . . . . . 4259 1 291 . 1 1 32 32 GLN NE2 N 15 111.1 . . 1 . . . . . . . . . 4259 1 292 . 1 1 33 33 ASP H H 1 7.52 . . 1 . . . . . . . . . 4259 1 293 . 1 1 33 33 ASP HA H 1 4.52 . . 1 . . . . . . . . . 4259 1 294 . 1 1 33 33 ASP HB2 H 1 3.00 . . 1 . . . . . . . . . 4259 1 295 . 1 1 33 33 ASP HB3 H 1 1.99 . . 1 . . . . . . . . . 4259 1 296 . 1 1 33 33 ASP C C 13 175.9 . . 1 . . . . . . . . . 4259 1 297 . 1 1 33 33 ASP CA C 13 56.4 . . 1 . . . . . . . . . 4259 1 298 . 1 1 33 33 ASP N N 15 120.0 . . 1 . . . . . . . . . 4259 1 299 . 1 1 34 34 GLY H H 1 8.67 . . 1 . . . . . . . . . 4259 1 300 . 1 1 34 34 GLY HA2 H 1 3.94 . . 1 . . . . . . . . . 4259 1 301 . 1 1 34 34 GLY HA3 H 1 2.62 . . 1 . . . . . . . . . 4259 1 302 . 1 1 34 34 GLY C C 13 171.8 . . 1 . . . . . . . . . 4259 1 303 . 1 1 34 34 GLY CA C 13 44.8 . . 1 . . . . . . . . . 4259 1 304 . 1 1 34 34 GLY N N 15 112.8 . . 1 . . . . . . . . . 4259 1 305 . 1 1 35 35 VAL H H 1 7.36 . . 1 . . . . . . . . . 4259 1 306 . 1 1 35 35 VAL HA H 1 4.27 . . 1 . . . . . . . . . 4259 1 307 . 1 1 35 35 VAL HB H 1 2.35 . . 1 . . . . . . . . . 4259 1 308 . 1 1 35 35 VAL HG11 H 1 1.08 . . 1 . . . . . . . . . 4259 1 309 . 1 1 35 35 VAL HG12 H 1 1.08 . . 1 . . . . . . . . . 4259 1 310 . 1 1 35 35 VAL HG13 H 1 1.08 . . 1 . . . . . . . . . 4259 1 311 . 1 1 35 35 VAL HG21 H 1 1.04 . . 1 . . . . . . . . . 4259 1 312 . 1 1 35 35 VAL HG22 H 1 1.04 . . 1 . . . . . . . . . 4259 1 313 . 1 1 35 35 VAL HG23 H 1 1.04 . . 1 . . . . . . . . . 4259 1 314 . 1 1 35 35 VAL C C 13 173.6 . . 1 . . . . . . . . . 4259 1 315 . 1 1 35 35 VAL CA C 13 61.7 . . 1 . . . . . . . . . 4259 1 316 . 1 1 35 35 VAL N N 15 117.6 . . 1 . . . . . . . . . 4259 1 317 . 1 1 36 36 VAL H H 1 8.14 . . 1 . . . . . . . . . 4259 1 318 . 1 1 36 36 VAL HA H 1 3.65 . . 1 . . . . . . . . . 4259 1 319 . 1 1 36 36 VAL HB H 1 1.75 . . 1 . . . . . . . . . 4259 1 320 . 1 1 36 36 VAL HG11 H 1 0.79 . . 1 . . . . . . . . . 4259 1 321 . 1 1 36 36 VAL HG12 H 1 0.79 . . 1 . . . . . . . . . 4259 1 322 . 1 1 36 36 VAL HG13 H 1 0.79 . . 1 . . . . . . . . . 4259 1 323 . 1 1 36 36 VAL HG21 H 1 0.15 . . 1 . . . . . . . . . 4259 1 324 . 1 1 36 36 VAL HG22 H 1 0.15 . . 1 . . . . . . . . . 4259 1 325 . 1 1 36 36 VAL HG23 H 1 0.15 . . 1 . . . . . . . . . 4259 1 326 . 1 1 36 36 VAL C C 13 175.8 . . 1 . . . . . . . . . 4259 1 327 . 1 1 36 36 VAL CA C 13 63.4 . . 1 . . . . . . . . . 4259 1 328 . 1 1 36 36 VAL N N 15 122.2 . . 1 . . . . . . . . . 4259 1 329 . 1 1 37 37 PHE H H 1 8.14 . . 1 . . . . . . . . . 4259 1 330 . 1 1 37 37 PHE HA H 1 4.81 . . 1 . . . . . . . . . 4259 1 331 . 1 1 37 37 PHE HB2 H 1 2.69 . . 1 . . . . . . . . . 4259 1 332 . 1 1 37 37 PHE HB3 H 1 2.64 . . 1 . . . . . . . . . 4259 1 333 . 1 1 37 37 PHE HD1 H 1 6.86 . . 1 . . . . . . . . . 4259 1 334 . 1 1 37 37 PHE HD2 H 1 6.86 . . 1 . . . . . . . . . 4259 1 335 . 1 1 37 37 PHE HE1 H 1 6.68 . . 1 . . . . . . . . . 4259 1 336 . 1 1 37 37 PHE HE2 H 1 6.68 . . 1 . . . . . . . . . 4259 1 337 . 1 1 37 37 PHE HZ H 1 7.29 . . 1 . . . . . . . . . 4259 1 338 . 1 1 37 37 PHE C C 13 171.9 . . 1 . . . . . . . . . 4259 1 339 . 1 1 37 37 PHE CA C 13 55.6 . . 1 . . . . . . . . . 4259 1 340 . 1 1 37 37 PHE N N 15 129.2 . . 1 . . . . . . . . . 4259 1 341 . 1 1 38 38 GLN H H 1 8.77 . . 1 . . . . . . . . . 4259 1 342 . 1 1 38 38 GLN HA H 1 3.69 . . 1 . . . . . . . . . 4259 1 343 . 1 1 38 38 GLN HB2 H 1 1.98 . . 1 . . . . . . . . . 4259 1 344 . 1 1 38 38 GLN HB3 H 1 1.76 . . 1 . . . . . . . . . 4259 1 345 . 1 1 38 38 GLN HG2 H 1 2.40 . . 1 . . . . . . . . . 4259 1 346 . 1 1 38 38 GLN HG3 H 1 2.27 . . 1 . . . . . . . . . 4259 1 347 . 1 1 38 38 GLN HE21 H 1 7.66 . . 1 . . . . . . . . . 4259 1 348 . 1 1 38 38 GLN HE22 H 1 6.91 . . 1 . . . . . . . . . 4259 1 349 . 1 1 38 38 GLN C C 13 174.0 . . 1 . . . . . . . . . 4259 1 350 . 1 1 38 38 GLN CA C 13 57.4 . . 1 . . . . . . . . . 4259 1 351 . 1 1 38 38 GLN N N 15 126.5 . . 1 . . . . . . . . . 4259 1 352 . 1 1 38 38 GLN NE2 N 15 112.1 . . 1 . . . . . . . . . 4259 1 353 . 1 1 39 39 ASN H H 1 5.48 . . 1 . . . . . . . . . 4259 1 354 . 1 1 39 39 ASN HA H 1 3.74 . . 1 . . . . . . . . . 4259 1 355 . 1 1 39 39 ASN HB2 H 1 3.35 . . 1 . . . . . . . . . 4259 1 356 . 1 1 39 39 ASN HB3 H 1 1.60 . . 1 . . . . . . . . . 4259 1 357 . 1 1 39 39 ASN HD21 H 1 8.21 . . 1 . . . . . . . . . 4259 1 358 . 1 1 39 39 ASN HD22 H 1 6.99 . . 1 . . . . . . . . . 4259 1 359 . 1 1 39 39 ASN C C 13 177.4 . . 1 . . . . . . . . . 4259 1 360 . 1 1 39 39 ASN CA C 13 53.3 . . 1 . . . . . . . . . 4259 1 361 . 1 1 39 39 ASN N N 15 113.6 . . 1 . . . . . . . . . 4259 1 362 . 1 1 39 39 ASN ND2 N 15 112.7 . . 1 . . . . . . . . . 4259 1 363 . 1 1 40 40 ARG H H 1 8.39 . . 1 . . . . . . . . . 4259 1 364 . 1 1 40 40 ARG HA H 1 3.81 . . 1 . . . . . . . . . 4259 1 365 . 1 1 40 40 ARG HB2 H 1 1.69 . . 1 . . . . . . . . . 4259 1 366 . 1 1 40 40 ARG HB3 H 1 1.63 . . 1 . . . . . . . . . 4259 1 367 . 1 1 40 40 ARG HG2 H 1 1.51 . . 1 . . . . . . . . . 4259 1 368 . 1 1 40 40 ARG HG3 H 1 1.51 . . 1 . . . . . . . . . 4259 1 369 . 1 1 40 40 ARG HD2 H 1 3.12 . . 1 . . . . . . . . . 4259 1 370 . 1 1 40 40 ARG HD3 H 1 3.12 . . 1 . . . . . . . . . 4259 1 371 . 1 1 40 40 ARG HE H 1 7.17 . . 1 . . . . . . . . . 4259 1 372 . 1 1 40 40 ARG C C 13 177.6 . . 1 . . . . . . . . . 4259 1 373 . 1 1 40 40 ARG CA C 13 59.0 . . 1 . . . . . . . . . 4259 1 374 . 1 1 40 40 ARG N N 15 118.5 . . 1 . . . . . . . . . 4259 1 375 . 1 1 41 41 GLU H H 1 8.18 . . 1 . . . . . . . . . 4259 1 376 . 1 1 41 41 GLU HA H 1 4.33 . . 1 . . . . . . . . . 4259 1 377 . 1 1 41 41 GLU HB2 H 1 2.04 . . 1 . . . . . . . . . 4259 1 378 . 1 1 41 41 GLU HB3 H 1 2.02 . . 1 . . . . . . . . . 4259 1 379 . 1 1 41 41 GLU HG2 H 1 2.26 . . 1 . . . . . . . . . 4259 1 380 . 1 1 41 41 GLU HG3 H 1 2.19 . . 1 . . . . . . . . . 4259 1 381 . 1 1 41 41 GLU C C 13 174.0 . . 1 . . . . . . . . . 4259 1 382 . 1 1 41 41 GLU CA C 13 56.5 . . 1 . . . . . . . . . 4259 1 383 . 1 1 41 41 GLU N N 15 116.5 . . 1 . . . . . . . . . 4259 1 384 . 1 1 42 42 SER H H 1 7.81 . . 1 . . . . . . . . . 4259 1 385 . 1 1 42 42 SER HA H 1 4.09 . . 1 . . . . . . . . . 4259 1 386 . 1 1 42 42 SER HB2 H 1 3.91 . . 1 . . . . . . . . . 4259 1 387 . 1 1 42 42 SER HB3 H 1 3.70 . . 1 . . . . . . . . . 4259 1 388 . 1 1 42 42 SER C C 13 170.3 . . 1 . . . . . . . . . 4259 1 389 . 1 1 42 42 SER CA C 13 59.0 . . 1 . . . . . . . . . 4259 1 390 . 1 1 42 42 SER N N 15 110.7 . . 1 . . . . . . . . . 4259 1 391 . 1 1 43 43 VAL H H 1 7.84 . . 1 . . . . . . . . . 4259 1 392 . 1 1 43 43 VAL HA H 1 3.67 . . 1 . . . . . . . . . 4259 1 393 . 1 1 43 43 VAL HB H 1 1.88 . . 1 . . . . . . . . . 4259 1 394 . 1 1 43 43 VAL HG11 H 1 1.08 . . 1 . . . . . . . . . 4259 1 395 . 1 1 43 43 VAL HG12 H 1 1.08 . . 1 . . . . . . . . . 4259 1 396 . 1 1 43 43 VAL HG13 H 1 1.08 . . 1 . . . . . . . . . 4259 1 397 . 1 1 43 43 VAL HG21 H 1 1.08 . . 1 . . . . . . . . . 4259 1 398 . 1 1 43 43 VAL HG22 H 1 1.08 . . 1 . . . . . . . . . 4259 1 399 . 1 1 43 43 VAL HG23 H 1 1.08 . . 1 . . . . . . . . . 4259 1 400 . 1 1 43 43 VAL C C 13 179.5 . . 1 . . . . . . . . . 4259 1 401 . 1 1 43 43 VAL CA C 13 65.4 . . 1 . . . . . . . . . 4259 1 402 . 1 1 43 43 VAL N N 15 118.2 . . 1 . . . . . . . . . 4259 1 403 . 1 1 44 44 LEU H H 1 7.65 . . 1 . . . . . . . . . 4259 1 404 . 1 1 44 44 LEU HA H 1 4.13 . . 1 . . . . . . . . . 4259 1 405 . 1 1 44 44 LEU HB2 H 1 0.76 . . 1 . . . . . . . . . 4259 1 406 . 1 1 44 44 LEU HB3 H 1 0.61 . . 1 . . . . . . . . . 4259 1 407 . 1 1 44 44 LEU HG H 1 0.23 . . 1 . . . . . . . . . 4259 1 408 . 1 1 44 44 LEU HD11 H 1 -0.74 . . 1 . . . . . . . . . 4259 1 409 . 1 1 44 44 LEU HD12 H 1 -0.74 . . 1 . . . . . . . . . 4259 1 410 . 1 1 44 44 LEU HD13 H 1 -0.74 . . 1 . . . . . . . . . 4259 1 411 . 1 1 44 44 LEU HD21 H 1 -0.76 . . 1 . . . . . . . . . 4259 1 412 . 1 1 44 44 LEU HD22 H 1 -0.76 . . 1 . . . . . . . . . 4259 1 413 . 1 1 44 44 LEU HD23 H 1 -0.76 . . 1 . . . . . . . . . 4259 1 414 . 1 1 44 44 LEU CA C 13 52.2 . . 1 . . . . . . . . . 4259 1 415 . 1 1 44 44 LEU N N 15 118 . . 1 . . . . . . . . . 4259 1 416 . 1 1 45 45 PRO HA H 1 4.25 . . 1 . . . . . . . . . 4259 1 417 . 1 1 45 45 PRO HB2 H 1 2.20 . . 1 . . . . . . . . . 4259 1 418 . 1 1 45 45 PRO HB3 H 1 1.60 . . 1 . . . . . . . . . 4259 1 419 . 1 1 45 45 PRO HG2 H 1 2.34 . . 1 . . . . . . . . . 4259 1 420 . 1 1 45 45 PRO HG3 H 1 2.06 . . 1 . . . . . . . . . 4259 1 421 . 1 1 45 45 PRO HD2 H 1 3.44 . . 1 . . . . . . . . . 4259 1 422 . 1 1 45 45 PRO HD3 H 1 3.44 . . 1 . . . . . . . . . 4259 1 423 . 1 1 45 45 PRO C C 13 178.5 . . 1 . . . . . . . . . 4259 1 424 . 1 1 45 45 PRO CA C 13 63.4 . . 1 . . . . . . . . . 4259 1 425 . 1 1 46 46 THR H H 1 8.63 . . 1 . . . . . . . . . 4259 1 426 . 1 1 46 46 THR HA H 1 3.95 . . 1 . . . . . . . . . 4259 1 427 . 1 1 46 46 THR HB H 1 3.93 . . 1 . . . . . . . . . 4259 1 428 . 1 1 46 46 THR HG21 H 1 1.18 . . 1 . . . . . . . . . 4259 1 429 . 1 1 46 46 THR HG22 H 1 1.18 . . 1 . . . . . . . . . 4259 1 430 . 1 1 46 46 THR HG23 H 1 1.18 . . 1 . . . . . . . . . 4259 1 431 . 1 1 46 46 THR C C 13 171.8 . . 1 . . . . . . . . . 4259 1 432 . 1 1 46 46 THR CA C 13 64.9 . . 1 . . . . . . . . . 4259 1 433 . 1 1 46 46 THR N N 15 122.3 . . 1 . . . . . . . . . 4259 1 434 . 1 1 47 47 GLN H H 1 8.70 . . 1 . . . . . . . . . 4259 1 435 . 1 1 47 47 GLN HA H 1 4.72 . . 1 . . . . . . . . . 4259 1 436 . 1 1 47 47 GLN HB2 H 1 0.86 . . 1 . . . . . . . . . 4259 1 437 . 1 1 47 47 GLN HB3 H 1 0.69 . . 1 . . . . . . . . . 4259 1 438 . 1 1 47 47 GLN HG2 H 1 1.80 . . 1 . . . . . . . . . 4259 1 439 . 1 1 47 47 GLN HG3 H 1 0.84 . . 1 . . . . . . . . . 4259 1 440 . 1 1 47 47 GLN HE21 H 1 7.22 . . 1 . . . . . . . . . 4259 1 441 . 1 1 47 47 GLN HE22 H 1 6.11 . . 1 . . . . . . . . . 4259 1 442 . 1 1 47 47 GLN C C 13 174.8 . . 1 . . . . . . . . . 4259 1 443 . 1 1 47 47 GLN CA C 13 53.4 . . 1 . . . . . . . . . 4259 1 444 . 1 1 47 47 GLN N N 15 126.5 . . 1 . . . . . . . . . 4259 1 445 . 1 1 47 47 GLN NE2 N 15 107.9 . . 1 . . . . . . . . . 4259 1 446 . 1 1 48 48 SER H H 1 8.96 . . 1 . . . . . . . . . 4259 1 447 . 1 1 48 48 SER HA H 1 4.28 . . 1 . . . . . . . . . 4259 1 448 . 1 1 48 48 SER HB2 H 1 3.98 . . 1 . . . . . . . . . 4259 1 449 . 1 1 48 48 SER HB3 H 1 3.87 . . 1 . . . . . . . . . 4259 1 450 . 1 1 48 48 SER C C 13 171.1 . . 1 . . . . . . . . . 4259 1 451 . 1 1 48 48 SER CA C 13 59.2 . . 1 . . . . . . . . . 4259 1 452 . 1 1 48 48 SER N N 15 117.5 . . 1 . . . . . . . . . 4259 1 453 . 1 1 49 49 TYR H H 1 8.80 . . 1 . . . . . . . . . 4259 1 454 . 1 1 49 49 TYR HA H 1 4.10 . . 1 . . . . . . . . . 4259 1 455 . 1 1 49 49 TYR HB2 H 1 3.14 . . 1 . . . . . . . . . 4259 1 456 . 1 1 49 49 TYR HB3 H 1 2.90 . . 1 . . . . . . . . . 4259 1 457 . 1 1 49 49 TYR HD1 H 1 7.11 . . 1 . . . . . . . . . 4259 1 458 . 1 1 49 49 TYR HD2 H 1 7.11 . . 1 . . . . . . . . . 4259 1 459 . 1 1 49 49 TYR HE1 H 1 6.73 . . 1 . . . . . . . . . 4259 1 460 . 1 1 49 49 TYR HE2 H 1 6.73 . . 1 . . . . . . . . . 4259 1 461 . 1 1 49 49 TYR C C 13 176.5 . . 1 . . . . . . . . . 4259 1 462 . 1 1 49 49 TYR CA C 13 61.2 . . 1 . . . . . . . . . 4259 1 463 . 1 1 49 49 TYR N N 15 124.6 . . 1 . . . . . . . . . 4259 1 464 . 1 1 50 50 GLY H H 1 8.18 . . 1 . . . . . . . . . 4259 1 465 . 1 1 50 50 GLY HA2 H 1 4.33 . . 1 . . . . . . . . . 4259 1 466 . 1 1 50 50 GLY HA3 H 1 2.98 . . 1 . . . . . . . . . 4259 1 467 . 1 1 50 50 GLY C C 13 168.2 . . 1 . . . . . . . . . 4259 1 468 . 1 1 50 50 GLY CA C 13 44.5 . . 1 . . . . . . . . . 4259 1 469 . 1 1 50 50 GLY N N 15 118.1 . . 1 . . . . . . . . . 4259 1 470 . 1 1 51 51 TYR H H 1 7.76 . . 1 . . . . . . . . . 4259 1 471 . 1 1 51 51 TYR HA H 1 3.96 . . 1 . . . . . . . . . 4259 1 472 . 1 1 51 51 TYR HB2 H 1 2.24 . . 1 . . . . . . . . . 4259 1 473 . 1 1 51 51 TYR HB3 H 1 3.03 . . 1 . . . . . . . . . 4259 1 474 . 1 1 51 51 TYR HD1 H 1 6.83 . . 1 . . . . . . . . . 4259 1 475 . 1 1 51 51 TYR HD2 H 1 7.45 . . 1 . . . . . . . . . 4259 1 476 . 1 1 51 51 TYR C C 13 174.7 . . 1 . . . . . . . . . 4259 1 477 . 1 1 51 51 TYR CA C 13 60.5 . . 1 . . . . . . . . . 4259 1 478 . 1 1 51 51 TYR N N 15 122.2 . . 1 . . . . . . . . . 4259 1 479 . 1 1 52 52 TYR H H 1 8.33 . . 1 . . . . . . . . . 4259 1 480 . 1 1 52 52 TYR HA H 1 6.32 . . 1 . . . . . . . . . 4259 1 481 . 1 1 52 52 TYR HB2 H 1 3.45 . . 1 . . . . . . . . . 4259 1 482 . 1 1 52 52 TYR HB3 H 1 3.11 . . 1 . . . . . . . . . 4259 1 483 . 1 1 52 52 TYR HD1 H 1 7.11 . . 1 . . . . . . . . . 4259 1 484 . 1 1 52 52 TYR HD2 H 1 7.45 . . 1 . . . . . . . . . 4259 1 485 . 1 1 52 52 TYR HE1 H 1 6.70 . . 1 . . . . . . . . . 4259 1 486 . 1 1 52 52 TYR HE2 H 1 6.98 . . 1 . . . . . . . . . 4259 1 487 . 1 1 52 52 TYR HH H 1 10.50 . . 1 . . . . . . . . . 4259 1 488 . 1 1 52 52 TYR C C 13 177.6 . . 1 . . . . . . . . . 4259 1 489 . 1 1 52 52 TYR CA C 13 55.3 . . 1 . . . . . . . . . 4259 1 490 . 1 1 52 52 TYR N N 15 112.9 . . 1 . . . . . . . . . 4259 1 491 . 1 1 53 53 HIS H H 1 8.72 . . 1 . . . . . . . . . 4259 1 492 . 1 1 53 53 HIS HA H 1 5.24 . . 1 . . . . . . . . . 4259 1 493 . 1 1 53 53 HIS HB2 H 1 3.07 . . 1 . . . . . . . . . 4259 1 494 . 1 1 53 53 HIS HB3 H 1 2.59 . . 1 . . . . . . . . . 4259 1 495 . 1 1 53 53 HIS HD2 H 1 7.29 . . 1 . . . . . . . . . 4259 1 496 . 1 1 53 53 HIS HE1 H 1 8.51 . . 1 . . . . . . . . . 4259 1 497 . 1 1 53 53 HIS C C 13 167.6 . . 1 . . . . . . . . . 4259 1 498 . 1 1 53 53 HIS CA C 13 55.8 . . 1 . . . . . . . . . 4259 1 499 . 1 1 53 53 HIS N N 15 117.5 . . 1 . . . . . . . . . 4259 1 500 . 1 1 54 54 GLU H H 1 8.50 . . 1 . . . . . . . . . 4259 1 501 . 1 1 54 54 GLU HA H 1 5.50 . . 1 . . . . . . . . . 4259 1 502 . 1 1 54 54 GLU HB2 H 1 1.97 . . 1 . . . . . . . . . 4259 1 503 . 1 1 54 54 GLU HB3 H 1 1.97 . . 1 . . . . . . . . . 4259 1 504 . 1 1 54 54 GLU HG2 H 1 2.15 . . 1 . . . . . . . . . 4259 1 505 . 1 1 54 54 GLU HG3 H 1 2.08 . . 1 . . . . . . . . . 4259 1 506 . 1 1 54 54 GLU C C 13 169.5 . . 1 . . . . . . . . . 4259 1 507 . 1 1 54 54 GLU CA C 13 54.6 . . 1 . . . . . . . . . 4259 1 508 . 1 1 54 54 GLU N N 15 118.4 . . 1 . . . . . . . . . 4259 1 509 . 1 1 55 55 TYR H H 1 9.10 . . 1 . . . . . . . . . 4259 1 510 . 1 1 55 55 TYR HA H 1 4.53 . . 1 . . . . . . . . . 4259 1 511 . 1 1 55 55 TYR HB2 H 1 2.89 . . 1 . . . . . . . . . 4259 1 512 . 1 1 55 55 TYR HB3 H 1 2.59 . . 1 . . . . . . . . . 4259 1 513 . 1 1 55 55 TYR HD1 H 1 6.31 . . 1 . . . . . . . . . 4259 1 514 . 1 1 55 55 TYR HD2 H 1 7.07 . . 1 . . . . . . . . . 4259 1 515 . 1 1 55 55 TYR HE1 H 1 6.12 . . 1 . . . . . . . . . 4259 1 516 . 1 1 55 55 TYR HE2 H 1 6.83 . . 1 . . . . . . . . . 4259 1 517 . 1 1 55 55 TYR C C 13 173.7 . . 1 . . . . . . . . . 4259 1 518 . 1 1 55 55 TYR CA C 13 57.6 . . 1 . . . . . . . . . 4259 1 519 . 1 1 55 55 TYR N N 15 118.5 . . 1 . . . . . . . . . 4259 1 520 . 1 1 56 56 THR H H 1 9.54 . . 1 . . . . . . . . . 4259 1 521 . 1 1 56 56 THR HA H 1 3.92 . . 1 . . . . . . . . . 4259 1 522 . 1 1 56 56 THR HB H 1 4.43 . . 1 . . . . . . . . . 4259 1 523 . 1 1 56 56 THR HG21 H 1 1.15 . . 1 . . . . . . . . . 4259 1 524 . 1 1 56 56 THR HG22 H 1 1.15 . . 1 . . . . . . . . . 4259 1 525 . 1 1 56 56 THR HG23 H 1 1.15 . . 1 . . . . . . . . . 4259 1 526 . 1 1 56 56 THR C C 13 172.2 . . 1 . . . . . . . . . 4259 1 527 . 1 1 56 56 THR CA C 13 61.6 . . 1 . . . . . . . . . 4259 1 528 . 1 1 56 56 THR N N 15 120.9 . . 1 . . . . . . . . . 4259 1 529 . 1 1 57 57 VAL H H 1 7.59 . . 1 . . . . . . . . . 4259 1 530 . 1 1 57 57 VAL HA H 1 4.27 . . 1 . . . . . . . . . 4259 1 531 . 1 1 57 57 VAL HB H 1 1.85 . . 1 . . . . . . . . . 4259 1 532 . 1 1 57 57 VAL HG11 H 1 1.12 . . 1 . . . . . . . . . 4259 1 533 . 1 1 57 57 VAL HG12 H 1 1.12 . . 1 . . . . . . . . . 4259 1 534 . 1 1 57 57 VAL HG13 H 1 1.12 . . 1 . . . . . . . . . 4259 1 535 . 1 1 57 57 VAL HG21 H 1 0.93 . . 1 . . . . . . . . . 4259 1 536 . 1 1 57 57 VAL HG22 H 1 0.93 . . 1 . . . . . . . . . 4259 1 537 . 1 1 57 57 VAL HG23 H 1 0.93 . . 1 . . . . . . . . . 4259 1 538 . 1 1 57 57 VAL C C 13 170.3 . . 1 . . . . . . . . . 4259 1 539 . 1 1 57 57 VAL CA C 13 61.5 . . 1 . . . . . . . . . 4259 1 540 . 1 1 57 57 VAL N N 15 128.6 . . 1 . . . . . . . . . 4259 1 541 . 1 1 58 58 ILE H H 1 9.06 . . 1 . . . . . . . . . 4259 1 542 . 1 1 58 58 ILE HA H 1 3.92 . . 1 . . . . . . . . . 4259 1 543 . 1 1 58 58 ILE HB H 1 1.84 . . 1 . . . . . . . . . 4259 1 544 . 1 1 58 58 ILE HG12 H 1 1.75 . . 1 . . . . . . . . . 4259 1 545 . 1 1 58 58 ILE HG13 H 1 1.60 . . 1 . . . . . . . . . 4259 1 546 . 1 1 58 58 ILE HG21 H 1 0.92 . . 1 . . . . . . . . . 4259 1 547 . 1 1 58 58 ILE HG22 H 1 0.92 . . 1 . . . . . . . . . 4259 1 548 . 1 1 58 58 ILE HG23 H 1 0.92 . . 1 . . . . . . . . . 4259 1 549 . 1 1 58 58 ILE HD11 H 1 1.04 . . 1 . . . . . . . . . 4259 1 550 . 1 1 58 58 ILE HD12 H 1 1.04 . . 1 . . . . . . . . . 4259 1 551 . 1 1 58 58 ILE HD13 H 1 1.04 . . 1 . . . . . . . . . 4259 1 552 . 1 1 58 58 ILE C C 13 175.9 . . 1 . . . . . . . . . 4259 1 553 . 1 1 58 58 ILE CA C 13 62.4 . . 1 . . . . . . . . . 4259 1 554 . 1 1 58 58 ILE N N 15 130.5 . . 1 . . . . . . . . . 4259 1 555 . 1 1 59 59 THR H H 1 8.86 . . 1 . . . . . . . . . 4259 1 556 . 1 1 59 59 THR HA H 1 4.63 . . 1 . . . . . . . . . 4259 1 557 . 1 1 59 59 THR HB H 1 4.08 . . 1 . . . . . . . . . 4259 1 558 . 1 1 59 59 THR HG21 H 1 1.18 . . 1 . . . . . . . . . 4259 1 559 . 1 1 59 59 THR HG22 H 1 1.18 . . 1 . . . . . . . . . 4259 1 560 . 1 1 59 59 THR HG23 H 1 1.18 . . 1 . . . . . . . . . 4259 1 561 . 1 1 59 59 THR CA C 13 60.3 . . 1 . . . . . . . . . 4259 1 562 . 1 1 59 59 THR N N 15 123.3 . . 1 . . . . . . . . . 4259 1 563 . 1 1 60 60 PRO HA H 1 4.28 . . 1 . . . . . . . . . 4259 1 564 . 1 1 60 60 PRO HB2 H 1 2.33 . . 1 . . . . . . . . . 4259 1 565 . 1 1 60 60 PRO HB3 H 1 1.94 . . 1 . . . . . . . . . 4259 1 566 . 1 1 60 60 PRO HG2 H 1 2.00 . . 1 . . . . . . . . . 4259 1 567 . 1 1 60 60 PRO HG3 H 1 2.00 . . 1 . . . . . . . . . 4259 1 568 . 1 1 60 60 PRO HD2 H 1 3.93 . . 1 . . . . . . . . . 4259 1 569 . 1 1 60 60 PRO HD3 H 1 3.77 . . 1 . . . . . . . . . 4259 1 570 . 1 1 60 60 PRO C C 13 178.5 . . 1 . . . . . . . . . 4259 1 571 . 1 1 60 60 PRO CA C 13 63.8 . . 1 . . . . . . . . . 4259 1 572 . 1 1 61 61 GLY H H 1 8.87 . . 1 . . . . . . . . . 4259 1 573 . 1 1 61 61 GLY HA2 H 1 4.22 . . 1 . . . . . . . . . 4259 1 574 . 1 1 61 61 GLY HA3 H 1 3.71 . . 1 . . . . . . . . . 4259 1 575 . 1 1 61 61 GLY C C 13 171.0 . . 1 . . . . . . . . . 4259 1 576 . 1 1 61 61 GLY CA C 13 45.4 . . 1 . . . . . . . . . 4259 1 577 . 1 1 61 61 GLY N N 15 112.7 . . 1 . . . . . . . . . 4259 1 578 . 1 1 62 62 ALA H H 1 7.75 . . 1 . . . . . . . . . 4259 1 579 . 1 1 62 62 ALA HA H 1 4.47 . . 1 . . . . . . . . . 4259 1 580 . 1 1 62 62 ALA HB1 H 1 1.54 . . 1 . . . . . . . . . 4259 1 581 . 1 1 62 62 ALA HB2 H 1 1.54 . . 1 . . . . . . . . . 4259 1 582 . 1 1 62 62 ALA HB3 H 1 1.54 . . 1 . . . . . . . . . 4259 1 583 . 1 1 62 62 ALA C C 13 180.0 . . 1 . . . . . . . . . 4259 1 584 . 1 1 62 62 ALA CA C 13 52.4 . . 1 . . . . . . . . . 4259 1 585 . 1 1 62 62 ALA N N 15 123.0 . . 1 . . . . . . . . . 4259 1 586 . 1 1 63 63 ARG H H 1 8.94 . . 1 . . . . . . . . . 4259 1 587 . 1 1 63 63 ARG HA H 1 4.46 . . 1 . . . . . . . . . 4259 1 588 . 1 1 63 63 ARG HB2 H 1 2.12 . . 1 . . . . . . . . . 4259 1 589 . 1 1 63 63 ARG HB3 H 1 1.85 . . 1 . . . . . . . . . 4259 1 590 . 1 1 63 63 ARG HG2 H 1 1.77 . . 1 . . . . . . . . . 4259 1 591 . 1 1 63 63 ARG HG3 H 1 1.73 . . 1 . . . . . . . . . 4259 1 592 . 1 1 63 63 ARG HD2 H 1 3.26 . . 1 . . . . . . . . . 4259 1 593 . 1 1 63 63 ARG HD3 H 1 3.26 . . 1 . . . . . . . . . 4259 1 594 . 1 1 63 63 ARG HE H 1 7.23 . . 1 . . . . . . . . . 4259 1 595 . 1 1 63 63 ARG C C 13 174.4 . . 1 . . . . . . . . . 4259 1 596 . 1 1 63 63 ARG CA C 13 56.4 . . 1 . . . . . . . . . 4259 1 597 . 1 1 63 63 ARG N N 15 120.4 . . 1 . . . . . . . . . 4259 1 598 . 1 1 64 64 THR H H 1 7.37 . . 1 . . . . . . . . . 4259 1 599 . 1 1 64 64 THR HA H 1 4.70 . . 1 . . . . . . . . . 4259 1 600 . 1 1 64 64 THR HB H 1 4.58 . . 1 . . . . . . . . . 4259 1 601 . 1 1 64 64 THR HG21 H 1 1.21 . . 1 . . . . . . . . . 4259 1 602 . 1 1 64 64 THR HG22 H 1 1.21 . . 1 . . . . . . . . . 4259 1 603 . 1 1 64 64 THR HG23 H 1 1.21 . . 1 . . . . . . . . . 4259 1 604 . 1 1 64 64 THR C C 13 170.0 . . 1 . . . . . . . . . 4259 1 605 . 1 1 64 64 THR CA C 13 59.6 . . 1 . . . . . . . . . 4259 1 606 . 1 1 64 64 THR N N 15 109.0 . . 1 . . . . . . . . . 4259 1 607 . 1 1 65 65 ARG H H 1 8.42 . . 1 . . . . . . . . . 4259 1 608 . 1 1 65 65 ARG HA H 1 3.70 . . 1 . . . . . . . . . 4259 1 609 . 1 1 65 65 ARG HB2 H 1 1.50 . . 1 . . . . . . . . . 4259 1 610 . 1 1 65 65 ARG HB3 H 1 0.62 . . 1 . . . . . . . . . 4259 1 611 . 1 1 65 65 ARG HG2 H 1 1.14 . . 1 . . . . . . . . . 4259 1 612 . 1 1 65 65 ARG HG3 H 1 1.01 . . 1 . . . . . . . . . 4259 1 613 . 1 1 65 65 ARG HD2 H 1 2.69 . . 1 . . . . . . . . . 4259 1 614 . 1 1 65 65 ARG HD3 H 1 2.83 . . 1 . . . . . . . . . 4259 1 615 . 1 1 65 65 ARG HE H 1 6.71 . . 1 . . . . . . . . . 4259 1 616 . 1 1 65 65 ARG C C 13 180.5 . . 1 . . . . . . . . . 4259 1 617 . 1 1 65 65 ARG CA C 13 58.7 . . 1 . . . . . . . . . 4259 1 618 . 1 1 65 65 ARG N N 15 117.0 . . 1 . . . . . . . . . 4259 1 619 . 1 1 66 66 GLY H H 1 8.36 . . 1 . . . . . . . . . 4259 1 620 . 1 1 66 66 GLY HA2 H 1 3.93 . . 1 . . . . . . . . . 4259 1 621 . 1 1 66 66 GLY HA3 H 1 3.90 . . 1 . . . . . . . . . 4259 1 622 . 1 1 66 66 GLY C C 13 174.4 . . 1 . . . . . . . . . 4259 1 623 . 1 1 66 66 GLY CA C 13 45.2 . . 1 . . . . . . . . . 4259 1 624 . 1 1 66 66 GLY N N 15 107.5 . . 1 . . . . . . . . . 4259 1 625 . 1 1 67 67 THR H H 1 9.28 . . 1 . . . . . . . . . 4259 1 626 . 1 1 67 67 THR HA H 1 4.10 . . 1 . . . . . . . . . 4259 1 627 . 1 1 67 67 THR HB H 1 4.29 . . 1 . . . . . . . . . 4259 1 628 . 1 1 67 67 THR HG21 H 1 1.01 . . 1 . . . . . . . . . 4259 1 629 . 1 1 67 67 THR HG22 H 1 1.01 . . 1 . . . . . . . . . 4259 1 630 . 1 1 67 67 THR HG23 H 1 1.01 . . 1 . . . . . . . . . 4259 1 631 . 1 1 67 67 THR C C 13 171.7 . . 1 . . . . . . . . . 4259 1 632 . 1 1 67 67 THR CA C 13 62.6 . . 1 . . . . . . . . . 4259 1 633 . 1 1 67 67 THR N N 15 111.7 . . 1 . . . . . . . . . 4259 1 634 . 1 1 68 68 ARG H H 1 8.53 . . 1 . . . . . . . . . 4259 1 635 . 1 1 68 68 ARG HA H 1 5.36 . . 1 . . . . . . . . . 4259 1 636 . 1 1 68 68 ARG HB2 H 1 2.29 . . 1 . . . . . . . . . 4259 1 637 . 1 1 68 68 ARG HB3 H 1 1.42 . . 1 . . . . . . . . . 4259 1 638 . 1 1 68 68 ARG HG2 H 1 1.77 . . 1 . . . . . . . . . 4259 1 639 . 1 1 68 68 ARG HG3 H 1 1.64 . . 1 . . . . . . . . . 4259 1 640 . 1 1 68 68 ARG HD2 H 1 3.58 . . 1 . . . . . . . . . 4259 1 641 . 1 1 68 68 ARG HD3 H 1 3.30 . . 1 . . . . . . . . . 4259 1 642 . 1 1 68 68 ARG C C 13 180.1 . . 1 . . . . . . . . . 4259 1 643 . 1 1 68 68 ARG CA C 13 55.4 . . 1 . . . . . . . . . 4259 1 644 . 1 1 68 68 ARG N N 15 121.8 . . 1 . . . . . . . . . 4259 1 645 . 1 1 69 69 ARG H H 1 9.20 . . 1 . . . . . . . . . 4259 1 646 . 1 1 69 69 ARG HA H 1 5.23 . . 1 . . . . . . . . . 4259 1 647 . 1 1 69 69 ARG HB2 H 1 1.65 . . 1 . . . . . . . . . 4259 1 648 . 1 1 69 69 ARG HB3 H 1 1.40 . . 1 . . . . . . . . . 4259 1 649 . 1 1 69 69 ARG HG2 H 1 1.21 . . 1 . . . . . . . . . 4259 1 650 . 1 1 69 69 ARG HG3 H 1 1.21 . . 1 . . . . . . . . . 4259 1 651 . 1 1 69 69 ARG HD2 H 1 3.39 . . 1 . . . . . . . . . 4259 1 652 . 1 1 69 69 ARG HD3 H 1 2.81 . . 1 . . . . . . . . . 4259 1 653 . 1 1 69 69 ARG C C 13 172.4 . . 1 . . . . . . . . . 4259 1 654 . 1 1 69 69 ARG CA C 13 53.8 . . 1 . . . . . . . . . 4259 1 655 . 1 1 69 69 ARG N N 15 123.9 . . 1 . . . . . . . . . 4259 1 656 . 1 1 70 70 ILE H H 1 8.90 . . 1 . . . . . . . . . 4259 1 657 . 1 1 70 70 ILE HA H 1 5.37 . . 1 . . . . . . . . . 4259 1 658 . 1 1 70 70 ILE HB H 1 1.56 . . 1 . . . . . . . . . 4259 1 659 . 1 1 70 70 ILE HG12 H 1 1.31 . . 1 . . . . . . . . . 4259 1 660 . 1 1 70 70 ILE HG13 H 1 0.89 . . 1 . . . . . . . . . 4259 1 661 . 1 1 70 70 ILE HG21 H 1 0.90 . . 1 . . . . . . . . . 4259 1 662 . 1 1 70 70 ILE HG22 H 1 0.90 . . 1 . . . . . . . . . 4259 1 663 . 1 1 70 70 ILE HG23 H 1 0.90 . . 1 . . . . . . . . . 4259 1 664 . 1 1 70 70 ILE HD11 H 1 1.83 . . 1 . . . . . . . . . 4259 1 665 . 1 1 70 70 ILE HD12 H 1 1.83 . . 1 . . . . . . . . . 4259 1 666 . 1 1 70 70 ILE HD13 H 1 1.83 . . 1 . . . . . . . . . 4259 1 667 . 1 1 70 70 ILE C C 13 172.5 . . 1 . . . . . . . . . 4259 1 668 . 1 1 70 70 ILE CA C 13 59.9 . . 1 . . . . . . . . . 4259 1 669 . 1 1 70 70 ILE N N 15 118.5 . . 1 . . . . . . . . . 4259 1 670 . 1 1 71 71 ILE H H 1 9.52 . . 1 . . . . . . . . . 4259 1 671 . 1 1 71 71 ILE HA H 1 5.66 . . 1 . . . . . . . . . 4259 1 672 . 1 1 71 71 ILE HB H 1 1.76 . . 1 . . . . . . . . . 4259 1 673 . 1 1 71 71 ILE HG12 H 1 0.89 . . 1 . . . . . . . . . 4259 1 674 . 1 1 71 71 ILE HG13 H 1 0.77 . . 1 . . . . . . . . . 4259 1 675 . 1 1 71 71 ILE HG21 H 1 0.72 . . 1 . . . . . . . . . 4259 1 676 . 1 1 71 71 ILE HG22 H 1 0.72 . . 1 . . . . . . . . . 4259 1 677 . 1 1 71 71 ILE HG23 H 1 0.72 . . 1 . . . . . . . . . 4259 1 678 . 1 1 71 71 ILE HD11 H 1 0.51 . . 1 . . . . . . . . . 4259 1 679 . 1 1 71 71 ILE HD12 H 1 0.51 . . 1 . . . . . . . . . 4259 1 680 . 1 1 71 71 ILE HD13 H 1 0.51 . . 1 . . . . . . . . . 4259 1 681 . 1 1 71 71 ILE C C 13 176.4 . . 1 . . . . . . . . . 4259 1 682 . 1 1 71 71 ILE CA C 13 57.2 . . 1 . . . . . . . . . 4259 1 683 . 1 1 71 71 ILE N N 15 129.1 . . 1 . . . . . . . . . 4259 1 684 . 1 1 72 72 THR H H 1 9.77 . . 1 . . . . . . . . . 4259 1 685 . 1 1 72 72 THR HA H 1 5.43 . . 1 . . . . . . . . . 4259 1 686 . 1 1 72 72 THR HB H 1 4.69 . . 1 . . . . . . . . . 4259 1 687 . 1 1 72 72 THR HG21 H 1 1.39 . . 1 . . . . . . . . . 4259 1 688 . 1 1 72 72 THR HG22 H 1 1.39 . . 1 . . . . . . . . . 4259 1 689 . 1 1 72 72 THR HG23 H 1 1.39 . . 1 . . . . . . . . . 4259 1 690 . 1 1 72 72 THR C C 13 174.3 . . 1 . . . . . . . . . 4259 1 691 . 1 1 72 72 THR CA C 13 59.7 . . 1 . . . . . . . . . 4259 1 692 . 1 1 72 72 THR N N 15 118.0 . . 1 . . . . . . . . . 4259 1 693 . 1 1 73 73 GLY H H 1 8.91 . . 1 . . . . . . . . . 4259 1 694 . 1 1 73 73 GLY HA2 H 1 4.95 . . 1 . . . . . . . . . 4259 1 695 . 1 1 73 73 GLY HA3 H 1 3.77 . . 1 . . . . . . . . . 4259 1 696 . 1 1 73 73 GLY CA C 13 43.7 . . 1 . . . . . . . . . 4259 1 697 . 1 1 73 73 GLY N N 15 107.6 . . 1 . . . . . . . . . 4259 1 698 . 1 1 74 74 GLU H H 1 4.98 . . 1 . . . . . . . . . 4259 1 699 . 1 1 74 74 GLU HA H 1 4.05 . . 1 . . . . . . . . . 4259 1 700 . 1 1 74 74 GLU HB2 H 1 1.86 . . 1 . . . . . . . . . 4259 1 701 . 1 1 74 74 GLU HB3 H 1 1.28 . . 1 . . . . . . . . . 4259 1 702 . 1 1 74 74 GLU HG2 H 1 2.05 . . 1 . . . . . . . . . 4259 1 703 . 1 1 74 74 GLU HG3 H 1 2.05 . . 1 . . . . . . . . . 4259 1 704 . 1 1 74 74 GLU C C 13 177.3 . . 1 . . . . . . . . . 4259 1 705 . 1 1 74 74 GLU CA C 13 57.0 . . 1 . . . . . . . . . 4259 1 706 . 1 1 74 74 GLU N N 15 114.7 . . 1 . . . . . . . . . 4259 1 707 . 1 1 75 75 ALA H H 1 7.91 . . 1 . . . . . . . . . 4259 1 708 . 1 1 75 75 ALA HA H 1 4.48 . . 1 . . . . . . . . . 4259 1 709 . 1 1 75 75 ALA HB1 H 1 1.54 . . 1 . . . . . . . . . 4259 1 710 . 1 1 75 75 ALA HB2 H 1 1.54 . . 1 . . . . . . . . . 4259 1 711 . 1 1 75 75 ALA HB3 H 1 1.54 . . 1 . . . . . . . . . 4259 1 712 . 1 1 75 75 ALA C C 13 177.5 . . 1 . . . . . . . . . 4259 1 713 . 1 1 75 75 ALA CA C 13 51.8 . . 1 . . . . . . . . . 4259 1 714 . 1 1 75 75 ALA N N 15 121.0 . . 1 . . . . . . . . . 4259 1 715 . 1 1 76 76 THR H H 1 8.31 . . 1 . . . . . . . . . 4259 1 716 . 1 1 76 76 THR HA H 1 3.91 . . 1 . . . . . . . . . 4259 1 717 . 1 1 76 76 THR HB H 1 4.02 . . 1 . . . . . . . . . 4259 1 718 . 1 1 76 76 THR HG21 H 1 1.28 . . 1 . . . . . . . . . 4259 1 719 . 1 1 76 76 THR HG22 H 1 1.28 . . 1 . . . . . . . . . 4259 1 720 . 1 1 76 76 THR HG23 H 1 1.28 . . 1 . . . . . . . . . 4259 1 721 . 1 1 76 76 THR C C 13 173.5 . . 1 . . . . . . . . . 4259 1 722 . 1 1 76 76 THR CA C 13 64.6 . . 1 . . . . . . . . . 4259 1 723 . 1 1 76 76 THR N N 15 116.7 . . 1 . . . . . . . . . 4259 1 724 . 1 1 77 77 GLN H H 1 9.18 . . 1 . . . . . . . . . 4259 1 725 . 1 1 77 77 GLN HA H 1 3.83 . . 1 . . . . . . . . . 4259 1 726 . 1 1 77 77 GLN HB2 H 1 2.18 . . 1 . . . . . . . . . 4259 1 727 . 1 1 77 77 GLN HB3 H 1 2.18 . . 1 . . . . . . . . . 4259 1 728 . 1 1 77 77 GLN HG2 H 1 2.39 . . 1 . . . . . . . . . 4259 1 729 . 1 1 77 77 GLN HG3 H 1 2.33 . . 1 . . . . . . . . . 4259 1 730 . 1 1 77 77 GLN HE21 H 1 7.34 . . 1 . . . . . . . . . 4259 1 731 . 1 1 77 77 GLN HE22 H 1 6.69 . . 1 . . . . . . . . . 4259 1 732 . 1 1 77 77 GLN C C 13 173.3 . . 1 . . . . . . . . . 4259 1 733 . 1 1 77 77 GLN CA C 13 58.4 . . 1 . . . . . . . . . 4259 1 734 . 1 1 77 77 GLN N N 15 120.1 . . 1 . . . . . . . . . 4259 1 735 . 1 1 77 77 GLN NE2 N 15 111.5 . . 1 . . . . . . . . . 4259 1 736 . 1 1 78 78 GLU H H 1 7.82 . . 1 . . . . . . . . . 4259 1 737 . 1 1 78 78 GLU HA H 1 4.02 . . 1 . . . . . . . . . 4259 1 738 . 1 1 78 78 GLU HB2 H 1 1.46 . . 1 . . . . . . . . . 4259 1 739 . 1 1 78 78 GLU HB3 H 1 1.46 . . 1 . . . . . . . . . 4259 1 740 . 1 1 78 78 GLU HG2 H 1 2.73 . . 1 . . . . . . . . . 4259 1 741 . 1 1 78 78 GLU HG3 H 1 2.19 . . 1 . . . . . . . . . 4259 1 742 . 1 1 78 78 GLU C C 13 167.9 . . 1 . . . . . . . . . 4259 1 743 . 1 1 78 78 GLU CA C 13 55.4 . . 1 . . . . . . . . . 4259 1 744 . 1 1 78 78 GLU N N 15 122.9 . . 1 . . . . . . . . . 4259 1 745 . 1 1 79 79 ASP H H 1 6.98 . . 1 . . . . . . . . . 4259 1 746 . 1 1 79 79 ASP HA H 1 5.50 . . 1 . . . . . . . . . 4259 1 747 . 1 1 79 79 ASP HB2 H 1 2.97 . . 1 . . . . . . . . . 4259 1 748 . 1 1 79 79 ASP HB3 H 1 2.23 . . 1 . . . . . . . . . 4259 1 749 . 1 1 79 79 ASP C C 13 166.8 . . 1 . . . . . . . . . 4259 1 750 . 1 1 79 79 ASP CA C 13 51.9 . . 1 . . . . . . . . . 4259 1 751 . 1 1 79 79 ASP N N 15 124.4 . . 1 . . . . . . . . . 4259 1 752 . 1 1 80 80 TYR H H 1 9.96 . . 1 . . . . . . . . . 4259 1 753 . 1 1 80 80 TYR HA H 1 5.60 . . 1 . . . . . . . . . 4259 1 754 . 1 1 80 80 TYR HB2 H 1 2.96 . . 1 . . . . . . . . . 4259 1 755 . 1 1 80 80 TYR HB3 H 1 2.78 . . 1 . . . . . . . . . 4259 1 756 . 1 1 80 80 TYR HD1 H 1 6.83 . . 1 . . . . . . . . . 4259 1 757 . 1 1 80 80 TYR HD2 H 1 6.83 . . 1 . . . . . . . . . 4259 1 758 . 1 1 80 80 TYR HE1 H 1 6.88 . . 1 . . . . . . . . . 4259 1 759 . 1 1 80 80 TYR HE2 H 1 6.88 . . 1 . . . . . . . . . 4259 1 760 . 1 1 80 80 TYR C C 13 173.0 . . 1 . . . . . . . . . 4259 1 761 . 1 1 80 80 TYR CA C 13 55.8 . . 1 . . . . . . . . . 4259 1 762 . 1 1 80 80 TYR N N 15 120.5 . . 1 . . . . . . . . . 4259 1 763 . 1 1 81 81 TYR H H 1 9.67 . . 1 . . . . . . . . . 4259 1 764 . 1 1 81 81 TYR HA H 1 5.50 . . 1 . . . . . . . . . 4259 1 765 . 1 1 81 81 TYR HB2 H 1 2.85 . . 1 . . . . . . . . . 4259 1 766 . 1 1 81 81 TYR HB3 H 1 2.66 . . 1 . . . . . . . . . 4259 1 767 . 1 1 81 81 TYR HD1 H 1 6.59 . . 1 . . . . . . . . . 4259 1 768 . 1 1 81 81 TYR HD2 H 1 6.59 . . 1 . . . . . . . . . 4259 1 769 . 1 1 81 81 TYR HE1 H 1 6.90 . . 1 . . . . . . . . . 4259 1 770 . 1 1 81 81 TYR HE2 H 1 6.90 . . 1 . . . . . . . . . 4259 1 771 . 1 1 81 81 TYR HH H 1 9.28 . . 1 . . . . . . . . . 4259 1 772 . 1 1 81 81 TYR C C 13 173.5 . . 1 . . . . . . . . . 4259 1 773 . 1 1 81 81 TYR CA C 13 57.0 . . 1 . . . . . . . . . 4259 1 774 . 1 1 81 81 TYR N N 15 122.2 . . 1 . . . . . . . . . 4259 1 775 . 1 1 82 82 THR H H 1 7.95 . . 1 . . . . . . . . . 4259 1 776 . 1 1 82 82 THR HA H 1 4.67 . . 1 . . . . . . . . . 4259 1 777 . 1 1 82 82 THR HB H 1 3.17 . . 1 . . . . . . . . . 4259 1 778 . 1 1 82 82 THR HG21 H 1 0.65 . . 1 . . . . . . . . . 4259 1 779 . 1 1 82 82 THR HG22 H 1 0.65 . . 1 . . . . . . . . . 4259 1 780 . 1 1 82 82 THR HG23 H 1 0.65 . . 1 . . . . . . . . . 4259 1 781 . 1 1 82 82 THR C C 13 165.5 . . 1 . . . . . . . . . 4259 1 782 . 1 1 82 82 THR CA C 13 58.3 . . 1 . . . . . . . . . 4259 1 783 . 1 1 82 82 THR N N 15 122.7 . . 1 . . . . . . . . . 4259 1 784 . 1 1 83 83 GLY H H 1 8.95 . . 1 . . . . . . . . . 4259 1 785 . 1 1 83 83 GLY HA2 H 1 4.31 . . 1 . . . . . . . . . 4259 1 786 . 1 1 83 83 GLY HA3 H 1 3.55 . . 1 . . . . . . . . . 4259 1 787 . 1 1 83 83 GLY C C 13 173.1 . . 1 . . . . . . . . . 4259 1 788 . 1 1 83 83 GLY CA C 13 44.6 . . 1 . . . . . . . . . 4259 1 789 . 1 1 83 83 GLY N N 15 113.8 . . 1 . . . . . . . . . 4259 1 790 . 1 1 84 84 ASP H H 1 8.30 . . 1 . . . . . . . . . 4259 1 791 . 1 1 84 84 ASP HA H 1 4.68 . . 1 . . . . . . . . . 4259 1 792 . 1 1 84 84 ASP HB2 H 1 2.93 . . 1 . . . . . . . . . 4259 1 793 . 1 1 84 84 ASP HB3 H 1 2.32 . . 1 . . . . . . . . . 4259 1 794 . 1 1 84 84 ASP C C 13 174.8 . . 1 . . . . . . . . . 4259 1 795 . 1 1 84 84 ASP CA C 13 51.9 . . 1 . . . . . . . . . 4259 1 796 . 1 1 84 84 ASP N N 15 123.2 . . 1 . . . . . . . . . 4259 1 797 . 1 1 85 85 HIS H H 1 8.97 . . 1 . . . . . . . . . 4259 1 798 . 1 1 85 85 HIS HA H 1 3.01 . . 1 . . . . . . . . . 4259 1 799 . 1 1 85 85 HIS HB2 H 1 3.80 . . 1 . . . . . . . . . 4259 1 800 . 1 1 85 85 HIS HB3 H 1 2.30 . . 1 . . . . . . . . . 4259 1 801 . 1 1 85 85 HIS HD2 H 1 6.56 . . 1 . . . . . . . . . 4259 1 802 . 1 1 85 85 HIS HE1 H 1 8.45 . . 1 . . . . . . . . . 4259 1 803 . 1 1 85 85 HIS C C 13 169.6 . . 1 . . . . . . . . . 4259 1 804 . 1 1 85 85 HIS CA C 13 58.1 . . 1 . . . . . . . . . 4259 1 805 . 1 1 85 85 HIS N N 15 119.5 . . 1 . . . . . . . . . 4259 1 806 . 1 1 86 86 TYR H H 1 7.32 . . 1 . . . . . . . . . 4259 1 807 . 1 1 86 86 TYR HA H 1 3.32 . . 1 . . . . . . . . . 4259 1 808 . 1 1 86 86 TYR HB2 H 1 3.41 . . 1 . . . . . . . . . 4259 1 809 . 1 1 86 86 TYR HB3 H 1 3.41 . . 1 . . . . . . . . . 4259 1 810 . 1 1 86 86 TYR HD1 H 1 6.69 . . 1 . . . . . . . . . 4259 1 811 . 1 1 86 86 TYR HD2 H 1 6.69 . . 1 . . . . . . . . . 4259 1 812 . 1 1 86 86 TYR HE1 H 1 6.39 . . 1 . . . . . . . . . 4259 1 813 . 1 1 86 86 TYR HE2 H 1 6.39 . . 1 . . . . . . . . . 4259 1 814 . 1 1 86 86 TYR C C 13 170.5 . . 1 . . . . . . . . . 4259 1 815 . 1 1 86 86 TYR CA C 13 57.8 . . 1 . . . . . . . . . 4259 1 816 . 1 1 86 86 TYR N N 15 107.0 . . 1 . . . . . . . . . 4259 1 817 . 1 1 87 87 ALA H H 1 7.15 . . 1 . . . . . . . . . 4259 1 818 . 1 1 87 87 ALA HA H 1 4.21 . . 1 . . . . . . . . . 4259 1 819 . 1 1 87 87 ALA HB1 H 1 1.35 . . 1 . . . . . . . . . 4259 1 820 . 1 1 87 87 ALA HB2 H 1 1.35 . . 1 . . . . . . . . . 4259 1 821 . 1 1 87 87 ALA HB3 H 1 1.35 . . 1 . . . . . . . . . 4259 1 822 . 1 1 87 87 ALA C C 13 180.2 . . 1 . . . . . . . . . 4259 1 823 . 1 1 87 87 ALA CA C 13 54.8 . . 1 . . . . . . . . . 4259 1 824 . 1 1 87 87 ALA N N 15 123.5 . . 1 . . . . . . . . . 4259 1 825 . 1 1 88 88 THR H H 1 9.43 . . 1 . . . . . . . . . 4259 1 826 . 1 1 88 88 THR HA H 1 4.60 . . 1 . . . . . . . . . 4259 1 827 . 1 1 88 88 THR HB H 1 4.03 . . 1 . . . . . . . . . 4259 1 828 . 1 1 88 88 THR HG21 H 1 1.18 . . 1 . . . . . . . . . 4259 1 829 . 1 1 88 88 THR HG22 H 1 1.18 . . 1 . . . . . . . . . 4259 1 830 . 1 1 88 88 THR HG23 H 1 1.18 . . 1 . . . . . . . . . 4259 1 831 . 1 1 88 88 THR C C 13 168.6 . . 1 . . . . . . . . . 4259 1 832 . 1 1 88 88 THR CA C 13 60.5 . . 1 . . . . . . . . . 4259 1 833 . 1 1 88 88 THR N N 15 111.7 . . 1 . . . . . . . . . 4259 1 834 . 1 1 89 89 PHE H H 1 8.73 . . 1 . . . . . . . . . 4259 1 835 . 1 1 89 89 PHE HA H 1 5.55 . . 1 . . . . . . . . . 4259 1 836 . 1 1 89 89 PHE HB2 H 1 2.75 . . 1 . . . . . . . . . 4259 1 837 . 1 1 89 89 PHE HB3 H 1 2.56 . . 1 . . . . . . . . . 4259 1 838 . 1 1 89 89 PHE HD1 H 1 6.85 . . 1 . . . . . . . . . 4259 1 839 . 1 1 89 89 PHE HD2 H 1 6.85 . . 1 . . . . . . . . . 4259 1 840 . 1 1 89 89 PHE HE1 H 1 6.99 . . 1 . . . . . . . . . 4259 1 841 . 1 1 89 89 PHE HE2 H 1 6.99 . . 1 . . . . . . . . . 4259 1 842 . 1 1 89 89 PHE HZ H 1 6.90 . . 1 . . . . . . . . . 4259 1 843 . 1 1 89 89 PHE C C 13 174.1 . . 1 . . . . . . . . . 4259 1 844 . 1 1 89 89 PHE CA C 13 56.3 . . 1 . . . . . . . . . 4259 1 845 . 1 1 89 89 PHE N N 15 117.5 . . 1 . . . . . . . . . 4259 1 846 . 1 1 90 90 SER H H 1 8.98 . . 1 . . . . . . . . . 4259 1 847 . 1 1 90 90 SER HA H 1 5.11 . . 1 . . . . . . . . . 4259 1 848 . 1 1 90 90 SER HB2 H 1 3.78 . . 1 . . . . . . . . . 4259 1 849 . 1 1 90 90 SER HB3 H 1 3.51 . . 1 . . . . . . . . . 4259 1 850 . 1 1 90 90 SER C C 13 170.4 . . 1 . . . . . . . . . 4259 1 851 . 1 1 90 90 SER CA C 13 58.1 . . 1 . . . . . . . . . 4259 1 852 . 1 1 90 90 SER N N 15 114.9 . . 1 . . . . . . . . . 4259 1 853 . 1 1 91 91 LEU H H 1 8.78 . . 1 . . . . . . . . . 4259 1 854 . 1 1 91 91 LEU HA H 1 4.56 . . 1 . . . . . . . . . 4259 1 855 . 1 1 91 91 LEU HB2 H 1 1.98 . . 1 . . . . . . . . . 4259 1 856 . 1 1 91 91 LEU HB3 H 1 1.98 . . 1 . . . . . . . . . 4259 1 857 . 1 1 91 91 LEU HG H 1 1.55 . . 1 . . . . . . . . . 4259 1 858 . 1 1 91 91 LEU HD11 H 1 0.92 . . 1 . . . . . . . . . 4259 1 859 . 1 1 91 91 LEU HD12 H 1 0.92 . . 1 . . . . . . . . . 4259 1 860 . 1 1 91 91 LEU HD13 H 1 0.92 . . 1 . . . . . . . . . 4259 1 861 . 1 1 91 91 LEU HD21 H 1 0.79 . . 1 . . . . . . . . . 4259 1 862 . 1 1 91 91 LEU HD22 H 1 0.79 . . 1 . . . . . . . . . 4259 1 863 . 1 1 91 91 LEU HD23 H 1 0.79 . . 1 . . . . . . . . . 4259 1 864 . 1 1 91 91 LEU C C 13 173.9 . . 1 . . . . . . . . . 4259 1 865 . 1 1 91 91 LEU CA C 13 57.1 . . 1 . . . . . . . . . 4259 1 866 . 1 1 91 91 LEU N N 15 128.6 . . 1 . . . . . . . . . 4259 1 867 . 1 1 92 92 ILE H H 1 8.78 . . 1 . . . . . . . . . 4259 1 868 . 1 1 92 92 ILE HA H 1 4.40 . . 1 . . . . . . . . . 4259 1 869 . 1 1 92 92 ILE HB H 1 1.82 . . 1 . . . . . . . . . 4259 1 870 . 1 1 92 92 ILE HG12 H 1 1.90 . . 1 . . . . . . . . . 4259 1 871 . 1 1 92 92 ILE HG13 H 1 1.90 . . 1 . . . . . . . . . 4259 1 872 . 1 1 92 92 ILE HG21 H 1 0.71 . . 1 . . . . . . . . . 4259 1 873 . 1 1 92 92 ILE HG22 H 1 0.71 . . 1 . . . . . . . . . 4259 1 874 . 1 1 92 92 ILE HG23 H 1 0.71 . . 1 . . . . . . . . . 4259 1 875 . 1 1 92 92 ILE HD11 H 1 0.82 . . 1 . . . . . . . . . 4259 1 876 . 1 1 92 92 ILE HD12 H 1 0.82 . . 1 . . . . . . . . . 4259 1 877 . 1 1 92 92 ILE HD13 H 1 0.82 . . 1 . . . . . . . . . 4259 1 878 . 1 1 92 92 ILE C C 13 175.4 . . 1 . . . . . . . . . 4259 1 879 . 1 1 92 92 ILE CA C 13 62.3 . . 1 . . . . . . . . . 4259 1 880 . 1 1 92 92 ILE N N 15 126.2 . . 1 . . . . . . . . . 4259 1 881 . 1 1 93 93 ASP H H 1 9.35 . . 1 . . . . . . . . . 4259 1 882 . 1 1 93 93 ASP HA H 1 4.96 . . 1 . . . . . . . . . 4259 1 883 . 1 1 93 93 ASP HB2 H 1 3.04 . . 1 . . . . . . . . . 4259 1 884 . 1 1 93 93 ASP HB3 H 1 2.28 . . 1 . . . . . . . . . 4259 1 885 . 1 1 93 93 ASP C C 13 176.5 . . 1 . . . . . . . . . 4259 1 886 . 1 1 93 93 ASP CA C 13 52.9 . . 1 . . . . . . . . . 4259 1 887 . 1 1 93 93 ASP N N 15 129.7 . . 1 . . . . . . . . . 4259 1 888 . 1 1 94 94 GLN H H 1 9.42 . . 1 . . . . . . . . . 4259 1 889 . 1 1 94 94 GLN HA H 1 4.24 . . 1 . . . . . . . . . 4259 1 890 . 1 1 94 94 GLN HB2 H 1 1.95 . . 1 . . . . . . . . . 4259 1 891 . 1 1 94 94 GLN HB3 H 1 1.84 . . 1 . . . . . . . . . 4259 1 892 . 1 1 94 94 GLN HG2 H 1 2.64 . . 1 . . . . . . . . . 4259 1 893 . 1 1 94 94 GLN HG3 H 1 2.53 . . 1 . . . . . . . . . 4259 1 894 . 1 1 94 94 GLN HE21 H 1 8.19 . . 1 . . . . . . . . . 4259 1 895 . 1 1 94 94 GLN HE22 H 1 6.79 . . 1 . . . . . . . . . 4259 1 896 . 1 1 94 94 GLN C C 13 175.5 . . 1 . . . . . . . . . 4259 1 897 . 1 1 94 94 GLN CA C 13 58.2 . . 1 . . . . . . . . . 4259 1 898 . 1 1 94 94 GLN N N 15 123.6 . . 1 . . . . . . . . . 4259 1 899 . 1 1 94 94 GLN NE2 N 15 112.6 . . 1 . . . . . . . . . 4259 1 900 . 1 1 95 95 THR H H 1 9.05 . . 1 . . . . . . . . . 4259 1 901 . 1 1 95 95 THR HA H 1 4.48 . . 1 . . . . . . . . . 4259 1 902 . 1 1 95 95 THR HB H 1 4.41 . . 1 . . . . . . . . . 4259 1 903 . 1 1 95 95 THR HG21 H 1 1.21 . . 1 . . . . . . . . . 4259 1 904 . 1 1 95 95 THR HG22 H 1 1.21 . . 1 . . . . . . . . . 4259 1 905 . 1 1 95 95 THR HG23 H 1 1.21 . . 1 . . . . . . . . . 4259 1 906 . 1 1 95 95 THR C C 13 170.0 . . 1 . . . . . . . . . 4259 1 907 . 1 1 95 95 THR CA C 13 62.4 . . 1 . . . . . . . . . 4259 1 908 . 1 1 95 95 THR N N 15 110.5 . . 1 . . . . . . . . . 4259 1 909 . 1 1 96 96 CYS H H 1 7.37 . . 1 . . . . . . . . . 4259 1 910 . 1 1 96 96 CYS HA H 1 4.88 . . 1 . . . . . . . . . 4259 1 911 . 1 1 96 96 CYS HB2 H 1 3.47 . . 1 . . . . . . . . . 4259 1 912 . 1 1 96 96 CYS HB3 H 1 3.41 . . 1 . . . . . . . . . 4259 1 913 . 1 1 96 96 CYS CA C 13 56.8 . . 1 . . . . . . . . . 4259 1 914 . 1 1 96 96 CYS N N 15 121.5 . . 1 . . . . . . . . . 4259 1 stop_ save_