data_4160 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4160 _Entry.Title ; Resonance Assignments of the Tn916 Integrase DNA-Binding Domain and Integrase: DNA Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-14 _Entry.Accession_date 1998-07-14 _Entry.Last_release_date 2000-02-23 _Entry.Original_release_date 2000-02-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kevin Connolly . M. . 4160 2 Jonathan Wojciak . M. . 4160 3 Robert Clubb . T. . 4160 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4160 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 4160 '15N chemical shifts' 83 4160 '1H chemical shifts' 505 4160 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 . . 2000-02-23 1998-07-10 original author . 4160 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4160 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99311323 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Resonance Assignments of the Tn916 Integrase DNA-Binding Domain and Integrase: DNA Complex ; _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 . _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 95 _Citation.Page_last 96 _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.Entry_ID _Citation_author.Citation_ID 1 Kevin Connolly . M. . 4160 1 2 Jonathan Wojciak . M. . 4160 1 3 Robert Clubb . T. . 4160 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4160 _Citation.ID 2 _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.Entry_ID _Citation_author.Citation_ID 1 'D S' Wishart D. S. . 4160 2 2 'C G' Bigam C. G. . 4160 2 3 J Yao J. . . 4160 2 4 F Abildgaard F. . . 4160 2 5 'H J' Dyson H. J. . 4160 2 6 E Oldfield E. . . 4160 2 7 'J L' Markley J. L. . 4160 2 8 'B D' Sykes B. D. . 4160 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TN916-int _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TN916-int _Assembly.Entry_ID 4160 _Assembly.ID 1 _Assembly.Name 'Tn916 integrase subunit 1' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4160 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 TN916-int 1 $TN916-int . . . native . . . . . 4160 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Tn916-int abbreviation 4160 1 'Tn916 integrase subunit 1' system 4160 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TN916-int _Entity.Sf_category entity _Entity.Sf_framecode TN916-int _Entity.Entry_ID 4160 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tn916 integrase subunit' _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 ; MSEKRRDNRGRILKTGESQR KDGRYLYKYIDSFGEPQFVY SWKLVATDRVPAGKRDCISL REKIAELQKDIHDGIDVVGK K ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4165 . "Tn916 integrase" . . . . . 91.36 74 98.65 98.65 1.30e-44 . . . . 4160 1 2 no PDB 1B69 . "The Solution Structure Of Tn916 Integrase N-Terminal DomainDNA COMPLEX" . . . . . 83.95 69 98.53 98.53 3.00e-39 . . . . 4160 1 3 no PDB 1BB8 . "N-Terminal Dna Binding Domain From Tn916 Integrase, Nmr, 25 Structures" . . . . . 86.42 71 100.00 100.00 1.95e-42 . . . . 4160 1 4 no PDB 1TN9 . "The Solution Structure Of Tn916 Integrase N-Terminal DomainDNA COMPLEX" . . . . . 83.95 69 98.53 98.53 3.00e-39 . . . . 4160 1 5 no PDB 2BB8 . "N-Terminal Dna Binding Domain From Tn916 Integrase, Nmr, Minimized Average Structure" . . . . . 86.42 71 100.00 100.00 1.95e-42 . . . . 4160 1 6 no DBJ BAG12510 . "Int-Tn protein [Streptococcus pneumoniae]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 7 no DBJ BAK28444 . "Tn916 ORF2 integrase [Streptococcus gallolyticus subsp. gallolyticus ATCC 43143]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 8 no DBJ BAN28951 . "Tn916, transposase [Staphylococcus aureus]" . . . . . 100.00 150 98.77 100.00 6.16e-50 . . . . 4160 1 9 no DBJ GAD37680 . "hypothetical protein ANG2_0008 [Streptococcus constellatus subsp. constellatus SK53]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 10 no EMBL CAA43360 . "integrase of Tn1545 [Streptococcus pneumoniae]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 11 no EMBL CAO82956 . "integrase of transposon Tn916 [Streptococcus pneumoniae]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 12 no EMBL CAP45546 . "integrase [Streptococcus pneumoniae]" . . . . . 100.00 405 97.53 98.77 3.01e-47 . . . . 4160 1 13 no EMBL CAQ49380 . "transposase from transposon (Integrase) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 14 no EMBL CAV31149 . "integrase [Streptococcus pneumoniae]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 15 no GB AAA19427 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 100.00 100.00 1.65e-48 . . . . 4160 1 16 no GB AAB60030 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 100.00 100.00 1.65e-48 . . . . 4160 1 17 no GB AAC36982 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 100.00 100.00 1.89e-48 . . . . 4160 1 18 no GB AAM99801 . "Tn916, transposase [Streptococcus agalactiae 2603V/R]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 19 no GB AAY63950 . "Int-Tn [Streptococcus cristatus]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 20 no PRF 2114402Y . "int-Tn gene" . . . . . 100.00 405 100.00 100.00 1.65e-48 . . . . 4160 1 21 no REF NP_687929 . "Tn916, transposase [Streptococcus agalactiae 2603V/R]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 22 no REF WP_001291557 . "MULTISPECIES: integrase [Streptococcus]" . . . . . 100.00 405 97.53 98.77 4.68e-47 . . . . 4160 1 23 no REF WP_001291559 . "integrase, partial [Streptococcus agalactiae]" . . . . . 100.00 266 98.77 100.00 7.61e-49 . . . . 4160 1 24 no REF WP_001291560 . "hypothetical protein [Streptococcus agalactiae]" . . . . . 100.00 405 98.77 100.00 5.44e-48 . . . . 4160 1 25 no REF WP_001291561 . "MULTISPECIES: transposase [Bacteria]" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 26 no SP P22886 . "RecName: Full=Transposase from transposon Tn916; AltName: Full=Integrase" . . . . . 100.00 405 100.00 100.00 1.65e-48 . . . . 4160 1 27 no SP P62904 . "RecName: Full=Transposase from transposon Tn1545; AltName: Full=Integrase" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 28 no SP P62905 . "RecName: Full=Transposase from transposon Tn1545; AltName: Full=Integrase" . . . . . 100.00 405 98.77 100.00 5.22e-48 . . . . 4160 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TN916-int abbreviation 4160 1 'Tn916 integrase subunit' common 4160 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 . MET . 4160 1 2 . SER . 4160 1 3 . GLU . 4160 1 4 . LYS . 4160 1 5 . ARG . 4160 1 6 . ARG . 4160 1 7 . ASP . 4160 1 8 . ASN . 4160 1 9 . ARG . 4160 1 10 . GLY . 4160 1 11 . ARG . 4160 1 12 . ILE . 4160 1 13 . LEU . 4160 1 14 . LYS . 4160 1 15 . THR . 4160 1 16 . GLY . 4160 1 17 . GLU . 4160 1 18 . SER . 4160 1 19 . GLN . 4160 1 20 . ARG . 4160 1 21 . LYS . 4160 1 22 . ASP . 4160 1 23 . GLY . 4160 1 24 . ARG . 4160 1 25 . TYR . 4160 1 26 . LEU . 4160 1 27 . TYR . 4160 1 28 . LYS . 4160 1 29 . TYR . 4160 1 30 . ILE . 4160 1 31 . ASP . 4160 1 32 . SER . 4160 1 33 . PHE . 4160 1 34 . GLY . 4160 1 35 . GLU . 4160 1 36 . PRO . 4160 1 37 . GLN . 4160 1 38 . PHE . 4160 1 39 . VAL . 4160 1 40 . TYR . 4160 1 41 . SER . 4160 1 42 . TRP . 4160 1 43 . LYS . 4160 1 44 . LEU . 4160 1 45 . VAL . 4160 1 46 . ALA . 4160 1 47 . THR . 4160 1 48 . ASP . 4160 1 49 . ARG . 4160 1 50 . VAL . 4160 1 51 . PRO . 4160 1 52 . ALA . 4160 1 53 . GLY . 4160 1 54 . LYS . 4160 1 55 . ARG . 4160 1 56 . ASP . 4160 1 57 . CYS . 4160 1 58 . ILE . 4160 1 59 . SER . 4160 1 60 . LEU . 4160 1 61 . ARG . 4160 1 62 . GLU . 4160 1 63 . LYS . 4160 1 64 . ILE . 4160 1 65 . ALA . 4160 1 66 . GLU . 4160 1 67 . LEU . 4160 1 68 . GLN . 4160 1 69 . LYS . 4160 1 70 . ASP . 4160 1 71 . ILE . 4160 1 72 . HIS . 4160 1 73 . ASP . 4160 1 74 . GLY . 4160 1 75 . ILE . 4160 1 76 . ASP . 4160 1 77 . VAL . 4160 1 78 . VAL . 4160 1 79 . GLY . 4160 1 80 . LYS . 4160 1 81 . LYS . 4160 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4160 1 . SER 2 2 4160 1 . GLU 3 3 4160 1 . LYS 4 4 4160 1 . ARG 5 5 4160 1 . ARG 6 6 4160 1 . ASP 7 7 4160 1 . ASN 8 8 4160 1 . ARG 9 9 4160 1 . GLY 10 10 4160 1 . ARG 11 11 4160 1 . ILE 12 12 4160 1 . LEU 13 13 4160 1 . LYS 14 14 4160 1 . THR 15 15 4160 1 . GLY 16 16 4160 1 . GLU 17 17 4160 1 . SER 18 18 4160 1 . GLN 19 19 4160 1 . ARG 20 20 4160 1 . LYS 21 21 4160 1 . ASP 22 22 4160 1 . GLY 23 23 4160 1 . ARG 24 24 4160 1 . TYR 25 25 4160 1 . LEU 26 26 4160 1 . TYR 27 27 4160 1 . LYS 28 28 4160 1 . TYR 29 29 4160 1 . ILE 30 30 4160 1 . ASP 31 31 4160 1 . SER 32 32 4160 1 . PHE 33 33 4160 1 . GLY 34 34 4160 1 . GLU 35 35 4160 1 . PRO 36 36 4160 1 . GLN 37 37 4160 1 . PHE 38 38 4160 1 . VAL 39 39 4160 1 . TYR 40 40 4160 1 . SER 41 41 4160 1 . TRP 42 42 4160 1 . LYS 43 43 4160 1 . LEU 44 44 4160 1 . VAL 45 45 4160 1 . ALA 46 46 4160 1 . THR 47 47 4160 1 . ASP 48 48 4160 1 . ARG 49 49 4160 1 . VAL 50 50 4160 1 . PRO 51 51 4160 1 . ALA 52 52 4160 1 . GLY 53 53 4160 1 . LYS 54 54 4160 1 . ARG 55 55 4160 1 . ASP 56 56 4160 1 . CYS 57 57 4160 1 . ILE 58 58 4160 1 . SER 59 59 4160 1 . LEU 60 60 4160 1 . ARG 61 61 4160 1 . GLU 62 62 4160 1 . LYS 63 63 4160 1 . ILE 64 64 4160 1 . ALA 65 65 4160 1 . GLU 66 66 4160 1 . LEU 67 67 4160 1 . GLN 68 68 4160 1 . LYS 69 69 4160 1 . ASP 70 70 4160 1 . ILE 71 71 4160 1 . HIS 72 72 4160 1 . ASP 73 73 4160 1 . GLY 74 74 4160 1 . ILE 75 75 4160 1 . ASP 76 76 4160 1 . VAL 77 77 4160 1 . VAL 78 78 4160 1 . GLY 79 79 4160 1 . LYS 80 80 4160 1 . LYS 81 81 4160 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 4160 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TN916-int . 1351 . . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Eubacteria . Enterococcus faecalis . . . . . . . . . . . . . . . . . . . . . 4160 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 4160 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TN916-int . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4160 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4160 _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 'Tn916 integrase subunit' '[U-15N; U-13C]' . . 1 $TN916-int . . 1.3 . . mM . . . . 4160 1 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 4160 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 4160 1 temperature 300 1 K 4160 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4160 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4160 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4160 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 4160 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4160 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4160 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4160 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4160 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4160 _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_one _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 $sample_one . 4160 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.17 . . 1 . . . . . . . . 4160 1 2 . 1 1 3 3 GLU HA H 1 4.40 . . 1 . . . . . . . . 4160 1 3 . 1 1 3 3 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 4160 1 4 . 1 1 3 3 GLU HG2 H 1 2.28 . . 2 . . . . . . . . 4160 1 5 . 1 1 3 3 GLU CA C 13 56.40 . . 1 . . . . . . . . 4160 1 6 . 1 1 3 3 GLU CB C 13 30.64 . . 1 . . . . . . . . 4160 1 7 . 1 1 3 3 GLU CG C 13 36.15 . . 1 . . . . . . . . 4160 1 8 . 1 1 4 4 LYS N N 15 123.45 . . 1 . . . . . . . . 4160 1 9 . 1 1 4 4 LYS H H 1 8.55 . . 1 . . . . . . . . 4160 1 10 . 1 1 4 4 LYS HA H 1 4.37 . . 1 . . . . . . . . 4160 1 11 . 1 1 4 4 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 4160 1 12 . 1 1 4 4 LYS HD2 H 1 1.68 . . 2 . . . . . . . . 4160 1 13 . 1 1 4 4 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4160 1 14 . 1 1 4 4 LYS HG2 H 1 1.46 . . 2 . . . . . . . . 4160 1 15 . 1 1 4 4 LYS HG3 H 1 1.50 . . 2 . . . . . . . . 4160 1 16 . 1 1 4 4 LYS CA C 13 56.08 . . 1 . . . . . . . . 4160 1 17 . 1 1 4 4 LYS CB C 13 33.21 . . 1 . . . . . . . . 4160 1 18 . 1 1 4 4 LYS CD C 13 29.11 . . 1 . . . . . . . . 4160 1 19 . 1 1 4 4 LYS CE C 13 42.33 . . 1 . . . . . . . . 4160 1 20 . 1 1 4 4 LYS CG C 13 25.06 . . 1 . . . . . . . . 4160 1 21 . 1 1 5 5 ARG N N 15 124.18 . . 1 . . . . . . . . 4160 1 22 . 1 1 5 5 ARG H H 1 8.80 . . 1 . . . . . . . . 4160 1 23 . 1 1 5 5 ARG HA H 1 4.43 . . 1 . . . . . . . . 4160 1 24 . 1 1 5 5 ARG HB3 H 1 1.83 . . 2 . . . . . . . . 4160 1 25 . 1 1 5 5 ARG HD3 H 1 3.32 . . 2 . . . . . . . . 4160 1 26 . 1 1 5 5 ARG HG2 H 1 1.60 . . 2 . . . . . . . . 4160 1 27 . 1 1 5 5 ARG HG3 H 1 1.72 . . 2 . . . . . . . . 4160 1 28 . 1 1 5 5 ARG CA C 13 56.03 . . 1 . . . . . . . . 4160 1 29 . 1 1 5 5 ARG CB C 13 31.17 . . 1 . . . . . . . . 4160 1 30 . 1 1 5 5 ARG CD C 13 43.20 . . 1 . . . . . . . . 4160 1 31 . 1 1 5 5 ARG CG C 13 28.19 . . 1 . . . . . . . . 4160 1 32 . 1 1 6 6 ARG N N 15 120.56 . . 1 . . . . . . . . 4160 1 33 . 1 1 6 6 ARG H H 1 8.28 . . 1 . . . . . . . . 4160 1 34 . 1 1 6 6 ARG HA H 1 5.49 . . 1 . . . . . . . . 4160 1 35 . 1 1 6 6 ARG HB2 H 1 1.58 . . 2 . . . . . . . . 4160 1 36 . 1 1 6 6 ARG HB3 H 1 1.62 . . 2 . . . . . . . . 4160 1 37 . 1 1 6 6 ARG HD3 H 1 3.02 . . 2 . . . . . . . . 4160 1 38 . 1 1 6 6 ARG HG2 H 1 1.31 . . 2 . . . . . . . . 4160 1 39 . 1 1 6 6 ARG HG3 H 1 1.48 . . 2 . . . . . . . . 4160 1 40 . 1 1 6 6 ARG CA C 13 53.69 . . 1 . . . . . . . . 4160 1 41 . 1 1 6 6 ARG CB C 13 34.92 . . 1 . . . . . . . . 4160 1 42 . 1 1 6 6 ARG CD C 13 43.50 . . 1 . . . . . . . . 4160 1 43 . 1 1 6 6 ARG CG C 13 28.35 . . 1 . . . . . . . . 4160 1 44 . 1 1 7 7 ASP N N 15 121.25 . . 1 . . . . . . . . 4160 1 45 . 1 1 7 7 ASP H H 1 8.98 . . 1 . . . . . . . . 4160 1 46 . 1 1 7 7 ASP HA H 1 4.68 . . 1 . . . . . . . . 4160 1 47 . 1 1 7 7 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 4160 1 48 . 1 1 7 7 ASP HB3 H 1 3.57 . . 1 . . . . . . . . 4160 1 49 . 1 1 7 7 ASP CA C 13 52.00 . . 1 . . . . . . . . 4160 1 50 . 1 1 7 7 ASP CB C 13 41.82 . . 1 . . . . . . . . 4160 1 51 . 1 1 8 8 ASN N N 15 117.21 . . 1 . . . . . . . . 4160 1 52 . 1 1 8 8 ASN ND2 N 15 110.96 . . 1 . . . . . . . . 4160 1 53 . 1 1 8 8 ASN H H 1 9.12 . . 1 . . . . . . . . 4160 1 54 . 1 1 8 8 ASN HA H 1 4.45 . . 1 . . . . . . . . 4160 1 55 . 1 1 8 8 ASN HB3 H 1 2.78 . . 1 . . . . . . . . 4160 1 56 . 1 1 8 8 ASN HB2 H 1 3.16 . . 1 . . . . . . . . 4160 1 57 . 1 1 8 8 ASN HD21 H 1 7.55 . . 2 . . . . . . . . 4160 1 58 . 1 1 8 8 ASN HD22 H 1 6.89 . . 2 . . . . . . . . 4160 1 59 . 1 1 8 8 ASN CA C 13 54.56 . . 1 . . . . . . . . 4160 1 60 . 1 1 8 8 ASN CB C 13 36.91 . . 1 . . . . . . . . 4160 1 61 . 1 1 9 9 ARG N N 15 119.41 . . 1 . . . . . . . . 4160 1 62 . 1 1 9 9 ARG H H 1 7.99 . . 1 . . . . . . . . 4160 1 63 . 1 1 9 9 ARG HA H 1 4.55 . . 1 . . . . . . . . 4160 1 64 . 1 1 9 9 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 4160 1 65 . 1 1 9 9 ARG HB2 H 1 2.22 . . 1 . . . . . . . . 4160 1 66 . 1 1 9 9 ARG HD3 H 1 3.19 . . 2 . . . . . . . . 4160 1 67 . 1 1 9 9 ARG HG3 H 1 1.74 . . 2 . . . . . . . . 4160 1 68 . 1 1 9 9 ARG CA C 13 55.33 . . 1 . . . . . . . . 4160 1 69 . 1 1 9 9 ARG CB C 13 31.52 . . 1 . . . . . . . . 4160 1 70 . 1 1 9 9 ARG CD C 13 44.23 . . 1 . . . . . . . . 4160 1 71 . 1 1 9 9 ARG CG C 13 27.00 . . 1 . . . . . . . . 4160 1 72 . 1 1 10 10 GLY N N 15 109.05 . . 1 . . . . . . . . 4160 1 73 . 1 1 10 10 GLY H H 1 8.09 . . 1 . . . . . . . . 4160 1 74 . 1 1 10 10 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4160 1 75 . 1 1 10 10 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4160 1 76 . 1 1 10 10 GLY CA C 13 45.97 . . 1 . . . . . . . . 4160 1 77 . 1 1 11 11 ARG N N 15 123.27 . . 1 . . . . . . . . 4160 1 78 . 1 1 11 11 ARG NE N 15 106.98 . . 1 . . . . . . . . 4160 1 79 . 1 1 11 11 ARG H H 1 9.00 . . 1 . . . . . . . . 4160 1 80 . 1 1 11 11 ARG HA H 1 4.40 . . 1 . . . . . . . . 4160 1 81 . 1 1 11 11 ARG HB2 H 1 1.60 . . 2 . . . . . . . . 4160 1 82 . 1 1 11 11 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 4160 1 83 . 1 1 11 11 ARG HD3 H 1 3.20 . . 2 . . . . . . . . 4160 1 84 . 1 1 11 11 ARG HE H 1 8.47 . . 1 . . . . . . . . 4160 1 85 . 1 1 11 11 ARG CA C 13 57.36 . . 1 . . . . . . . . 4160 1 86 . 1 1 11 11 ARG CB C 13 29.82 . . 1 . . . . . . . . 4160 1 87 . 1 1 11 11 ARG CD C 13 43.40 . . 1 . . . . . . . . 4160 1 88 . 1 1 12 12 ILE N N 15 121.70 . . 1 . . . . . . . . 4160 1 89 . 1 1 12 12 ILE H H 1 8.43 . . 1 . . . . . . . . 4160 1 90 . 1 1 12 12 ILE HA H 1 4.08 . . 1 . . . . . . . . 4160 1 91 . 1 1 12 12 ILE HB H 1 1.73 . . 1 . . . . . . . . 4160 1 92 . 1 1 12 12 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4160 1 93 . 1 1 12 12 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4160 1 94 . 1 1 12 12 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4160 1 95 . 1 1 12 12 ILE HG12 H 1 1.11 . . 2 . . . . . . . . 4160 1 96 . 1 1 12 12 ILE HG13 H 1 1.68 . . 2 . . . . . . . . 4160 1 97 . 1 1 12 12 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4160 1 98 . 1 1 12 12 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4160 1 99 . 1 1 12 12 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4160 1 100 . 1 1 12 12 ILE CA C 13 61.89 . . 1 . . . . . . . . 4160 1 101 . 1 1 12 12 ILE CB C 13 38.36 . . 1 . . . . . . . . 4160 1 102 . 1 1 12 12 ILE CD1 C 13 12.70 . . 1 . . . . . . . . 4160 1 103 . 1 1 12 12 ILE CG1 C 13 28.54 . . 1 . . . . . . . . 4160 1 104 . 1 1 12 12 ILE CG2 C 13 17.68 . . 1 . . . . . . . . 4160 1 105 . 1 1 13 13 LEU N N 15 128.24 . . 1 . . . . . . . . 4160 1 106 . 1 1 13 13 LEU H H 1 8.32 . . 1 . . . . . . . . 4160 1 107 . 1 1 13 13 LEU HA H 1 4.46 . . 1 . . . . . . . . 4160 1 108 . 1 1 13 13 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 4160 1 109 . 1 1 13 13 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4160 1 110 . 1 1 13 13 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4160 1 111 . 1 1 13 13 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4160 1 112 . 1 1 13 13 LEU HD21 H 1 0.73 . . 2 . . . . . . . . 4160 1 113 . 1 1 13 13 LEU HD22 H 1 0.73 . . 2 . . . . . . . . 4160 1 114 . 1 1 13 13 LEU HD23 H 1 0.73 . . 2 . . . . . . . . 4160 1 115 . 1 1 13 13 LEU HG H 1 1.68 . . 1 . . . . . . . . 4160 1 116 . 1 1 13 13 LEU CA C 13 53.56 . . 1 . . . . . . . . 4160 1 117 . 1 1 13 13 LEU CB C 13 42.84 . . 1 . . . . . . . . 4160 1 118 . 1 1 13 13 LEU CD1 C 13 26.60 . . 2 . . . . . . . . 4160 1 119 . 1 1 13 13 LEU CD2 C 13 23.33 . . 2 . . . . . . . . 4160 1 120 . 1 1 13 13 LEU CG C 13 26.90 . . 1 . . . . . . . . 4160 1 121 . 1 1 14 14 LYS N N 15 123.79 . . 1 . . . . . . . . 4160 1 122 . 1 1 14 14 LYS HA H 1 4.44 . . 1 . . . . . . . . 4160 1 123 . 1 1 14 14 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 4160 1 124 . 1 1 14 14 LYS HB2 H 1 1.49 . . 1 . . . . . . . . 4160 1 125 . 1 1 14 14 LYS HD3 H 1 1.64 . . 2 . . . . . . . . 4160 1 126 . 1 1 14 14 LYS HE3 H 1 2.88 . . 2 . . . . . . . . 4160 1 127 . 1 1 14 14 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4160 1 128 . 1 1 14 14 LYS HG3 H 1 1.35 . . 2 . . . . . . . . 4160 1 129 . 1 1 14 14 LYS CA C 13 54.83 . . 1 . . . . . . . . 4160 1 130 . 1 1 14 14 LYS CB C 13 34.32 . . 1 . . . . . . . . 4160 1 131 . 1 1 14 14 LYS CD C 13 29.07 . . 1 . . . . . . . . 4160 1 132 . 1 1 14 14 LYS CE C 13 41.90 . . 1 . . . . . . . . 4160 1 133 . 1 1 14 14 LYS CG C 13 25.93 . . 1 . . . . . . . . 4160 1 134 . 1 1 15 15 THR N N 15 116.71 . . 1 . . . . . . . . 4160 1 135 . 1 1 15 15 THR H H 1 8.14 . . 1 . . . . . . . . 4160 1 136 . 1 1 15 15 THR HA H 1 3.89 . . 1 . . . . . . . . 4160 1 137 . 1 1 15 15 THR HB H 1 4.00 . . 1 . . . . . . . . 4160 1 138 . 1 1 15 15 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4160 1 139 . 1 1 15 15 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4160 1 140 . 1 1 15 15 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4160 1 141 . 1 1 15 15 THR CA C 13 65.15 . . 1 . . . . . . . . 4160 1 142 . 1 1 15 15 THR CB C 13 69.23 . . 1 . . . . . . . . 4160 1 143 . 1 1 15 15 THR CG2 C 13 21.80 . . 1 . . . . . . . . 4160 1 144 . 1 1 16 16 GLY N N 15 115.49 . . 1 . . . . . . . . 4160 1 145 . 1 1 16 16 GLY H H 1 8.88 . . 1 . . . . . . . . 4160 1 146 . 1 1 16 16 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 4160 1 147 . 1 1 16 16 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 4160 1 148 . 1 1 16 16 GLY CA C 13 45.94 . . 1 . . . . . . . . 4160 1 149 . 1 1 17 17 GLU N N 15 120.61 . . 1 . . . . . . . . 4160 1 150 . 1 1 17 17 GLU H H 1 8.44 . . 1 . . . . . . . . 4160 1 151 . 1 1 17 17 GLU HA H 1 5.58 . . 1 . . . . . . . . 4160 1 152 . 1 1 17 17 GLU HB3 H 1 1.77 . . 1 . . . . . . . . 4160 1 153 . 1 1 17 17 GLU HB2 H 1 2.68 . . 1 . . . . . . . . 4160 1 154 . 1 1 17 17 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4160 1 155 . 1 1 17 17 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4160 1 156 . 1 1 17 17 GLU CA C 13 55.33 . . 1 . . . . . . . . 4160 1 157 . 1 1 17 17 GLU CB C 13 33.07 . . 1 . . . . . . . . 4160 1 158 . 1 1 17 17 GLU CG C 13 36.61 . . 1 . . . . . . . . 4160 1 159 . 1 1 18 18 SER N N 15 115.43 . . 1 . . . . . . . . 4160 1 160 . 1 1 18 18 SER H H 1 9.59 . . 1 . . . . . . . . 4160 1 161 . 1 1 18 18 SER HA H 1 4.60 . . 1 . . . . . . . . 4160 1 162 . 1 1 18 18 SER HB2 H 1 3.76 . . 2 . . . . . . . . 4160 1 163 . 1 1 18 18 SER HB3 H 1 3.82 . . 2 . . . . . . . . 4160 1 164 . 1 1 18 18 SER CA C 13 58.21 . . 1 . . . . . . . . 4160 1 165 . 1 1 18 18 SER CB C 13 65.32 . . 1 . . . . . . . . 4160 1 166 . 1 1 19 19 GLN N N 15 120.33 . . 1 . . . . . . . . 4160 1 167 . 1 1 19 19 GLN NE2 N 15 111.18 . . 1 . . . . . . . . 4160 1 168 . 1 1 19 19 GLN H H 1 8.70 . . 1 . . . . . . . . 4160 1 169 . 1 1 19 19 GLN HA H 1 5.03 . . 1 . . . . . . . . 4160 1 170 . 1 1 19 19 GLN HB2 H 1 1.40 . . 2 . . . . . . . . 4160 1 171 . 1 1 19 19 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 4160 1 172 . 1 1 19 19 GLN HE21 H 1 6.65 . . 2 . . . . . . . . 4160 1 173 . 1 1 19 19 GLN HG2 H 1 1.20 . . 2 . . . . . . . . 4160 1 174 . 1 1 19 19 GLN HG3 H 1 2.30 . . 2 . . . . . . . . 4160 1 175 . 1 1 19 19 GLN CA C 13 54.54 . . 1 . . . . . . . . 4160 1 176 . 1 1 19 19 GLN CB C 13 32.08 . . 1 . . . . . . . . 4160 1 177 . 1 1 19 19 GLN CG C 13 32.96 . . 1 . . . . . . . . 4160 1 178 . 1 1 20 20 ARG N N 15 126.94 . . 1 . . . . . . . . 4160 1 179 . 1 1 20 20 ARG H H 1 8.86 . . 1 . . . . . . . . 4160 1 180 . 1 1 20 20 ARG HA H 1 4.47 . . 1 . . . . . . . . 4160 1 181 . 1 1 20 20 ARG HB3 H 1 2.05 . . 2 . . . . . . . . 4160 1 182 . 1 1 20 20 ARG HD3 H 1 3.12 . . 2 . . . . . . . . 4160 1 183 . 1 1 20 20 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 4160 1 184 . 1 1 20 20 ARG CA C 13 55.36 . . 1 . . . . . . . . 4160 1 185 . 1 1 20 20 ARG CB C 13 32.02 . . 1 . . . . . . . . 4160 1 186 . 1 1 20 20 ARG CD C 13 43.56 . . 1 . . . . . . . . 4160 1 187 . 1 1 20 20 ARG CG C 13 26.72 . . 1 . . . . . . . . 4160 1 188 . 1 1 21 21 LYS N N 15 122.53 . . 1 . . . . . . . . 4160 1 189 . 1 1 21 21 LYS H H 1 8.78 . . 1 . . . . . . . . 4160 1 190 . 1 1 21 21 LYS HA H 1 4.02 . . 1 . . . . . . . . 4160 1 191 . 1 1 21 21 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 4160 1 192 . 1 1 21 21 LYS HD3 H 1 1.68 . . 2 . . . . . . . . 4160 1 193 . 1 1 21 21 LYS HE3 H 1 2.95 . . 2 . . . . . . . . 4160 1 194 . 1 1 21 21 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4160 1 195 . 1 1 21 21 LYS CA C 13 59.48 . . 1 . . . . . . . . 4160 1 196 . 1 1 21 21 LYS CB C 13 32.22 . . 1 . . . . . . . . 4160 1 197 . 1 1 21 21 LYS CD C 13 29.12 . . 1 . . . . . . . . 4160 1 198 . 1 1 21 21 LYS CE C 13 42.46 . . 1 . . . . . . . . 4160 1 199 . 1 1 21 21 LYS CG C 13 24.99 . . 1 . . . . . . . . 4160 1 200 . 1 1 22 22 ASP N N 15 115.92 . . 1 . . . . . . . . 4160 1 201 . 1 1 22 22 ASP H H 1 7.81 . . 1 . . . . . . . . 4160 1 202 . 1 1 22 22 ASP HA H 1 4.46 . . 1 . . . . . . . . 4160 1 203 . 1 1 22 22 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 4160 1 204 . 1 1 22 22 ASP HB3 H 1 3.20 . . 2 . . . . . . . . 4160 1 205 . 1 1 22 22 ASP CA C 13 53.50 . . 1 . . . . . . . . 4160 1 206 . 1 1 22 22 ASP CB C 13 39.74 . . 1 . . . . . . . . 4160 1 207 . 1 1 23 23 GLY N N 15 107.48 . . 1 . . . . . . . . 4160 1 208 . 1 1 23 23 GLY H H 1 8.04 . . 1 . . . . . . . . 4160 1 209 . 1 1 23 23 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 4160 1 210 . 1 1 23 23 GLY HA3 H 1 4.56 . . 2 . . . . . . . . 4160 1 211 . 1 1 23 23 GLY CA C 13 44.30 . . 1 . . . . . . . . 4160 1 212 . 1 1 24 24 ARG N N 15 124.73 . . 1 . . . . . . . . 4160 1 213 . 1 1 24 24 ARG H H 1 7.78 . . 1 . . . . . . . . 4160 1 214 . 1 1 24 24 ARG HA H 1 3.37 . . 1 . . . . . . . . 4160 1 215 . 1 1 24 24 ARG HB2 H 1 1.08 . . 2 . . . . . . . . 4160 1 216 . 1 1 24 24 ARG HB3 H 1 1.21 . . 2 . . . . . . . . 4160 1 217 . 1 1 24 24 ARG HD2 H 1 2.13 . . 2 . . . . . . . . 4160 1 218 . 1 1 24 24 ARG HD3 H 1 2.25 . . 2 . . . . . . . . 4160 1 219 . 1 1 24 24 ARG HG2 H 1 0.27 . . 2 . . . . . . . . 4160 1 220 . 1 1 24 24 ARG HG3 H 1 0.86 . . 2 . . . . . . . . 4160 1 221 . 1 1 24 24 ARG CA C 13 58.10 . . 1 . . . . . . . . 4160 1 222 . 1 1 24 24 ARG CB C 13 31.32 . . 1 . . . . . . . . 4160 1 223 . 1 1 24 24 ARG CD C 13 43.60 . . 1 . . . . . . . . 4160 1 224 . 1 1 24 24 ARG CG C 13 26.66 . . 1 . . . . . . . . 4160 1 225 . 1 1 25 25 TYR N N 15 122.90 . . 1 . . . . . . . . 4160 1 226 . 1 1 25 25 TYR H H 1 8.65 . . 1 . . . . . . . . 4160 1 227 . 1 1 25 25 TYR HA H 1 5.08 . . 1 . . . . . . . . 4160 1 228 . 1 1 25 25 TYR HB3 H 1 3.10 . . 1 . . . . . . . . 4160 1 229 . 1 1 25 25 TYR HB2 H 1 2.84 . . 1 . . . . . . . . 4160 1 230 . 1 1 25 25 TYR HD1 H 1 6.88 . . 3 . . . . . . . . 4160 1 231 . 1 1 25 25 TYR HD2 H 1 7.09 . . 3 . . . . . . . . 4160 1 232 . 1 1 25 25 TYR HE1 H 1 6.79 . . 3 . . . . . . . . 4160 1 233 . 1 1 25 25 TYR CA C 13 58.50 . . 1 . . . . . . . . 4160 1 234 . 1 1 25 25 TYR CB C 13 41.31 . . 1 . . . . . . . . 4160 1 235 . 1 1 25 25 TYR CD1 C 13 133.52 . . 3 . . . . . . . . 4160 1 236 . 1 1 25 25 TYR CE1 C 13 117.83 . . 3 . . . . . . . . 4160 1 237 . 1 1 26 26 LEU N N 15 121.43 . . 1 . . . . . . . . 4160 1 238 . 1 1 26 26 LEU H H 1 8.98 . . 1 . . . . . . . . 4160 1 239 . 1 1 26 26 LEU HA H 1 5.29 . . 1 . . . . . . . . 4160 1 240 . 1 1 26 26 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4160 1 241 . 1 1 26 26 LEU HB3 H 1 1.27 . . 2 . . . . . . . . 4160 1 242 . 1 1 26 26 LEU HD11 H 1 0.71 . . 2 . . . . . . . . 4160 1 243 . 1 1 26 26 LEU HD12 H 1 0.71 . . 2 . . . . . . . . 4160 1 244 . 1 1 26 26 LEU HD13 H 1 0.71 . . 2 . . . . . . . . 4160 1 245 . 1 1 26 26 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 4160 1 246 . 1 1 26 26 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 4160 1 247 . 1 1 26 26 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 4160 1 248 . 1 1 26 26 LEU HG H 1 1.51 . . 1 . . . . . . . . 4160 1 249 . 1 1 26 26 LEU CA C 13 53.82 . . 1 . . . . . . . . 4160 1 250 . 1 1 26 26 LEU CB C 13 46.52 . . 1 . . . . . . . . 4160 1 251 . 1 1 26 26 LEU CD1 C 13 25.01 . . 2 . . . . . . . . 4160 1 252 . 1 1 26 26 LEU CD2 C 13 26.78 . . 2 . . . . . . . . 4160 1 253 . 1 1 26 26 LEU CG C 13 25.52 . . 1 . . . . . . . . 4160 1 254 . 1 1 27 27 TYR N N 15 122.53 . . 1 . . . . . . . . 4160 1 255 . 1 1 27 27 TYR H H 1 8.99 . . 1 . . . . . . . . 4160 1 256 . 1 1 27 27 TYR HA H 1 5.48 . . 1 . . . . . . . . 4160 1 257 . 1 1 27 27 TYR HB2 H 1 2.75 . . 2 . . . . . . . . 4160 1 258 . 1 1 27 27 TYR HB3 H 1 2.63 . . 2 . . . . . . . . 4160 1 259 . 1 1 27 27 TYR HD1 H 1 6.68 . . 3 . . . . . . . . 4160 1 260 . 1 1 27 27 TYR HD2 H 1 6.72 . . 3 . . . . . . . . 4160 1 261 . 1 1 27 27 TYR HE1 H 1 6.68 . . 3 . . . . . . . . 4160 1 262 . 1 1 27 27 TYR CA C 13 55.84 . . 1 . . . . . . . . 4160 1 263 . 1 1 27 27 TYR CB C 13 42.30 . . 1 . . . . . . . . 4160 1 264 . 1 1 27 27 TYR CD1 C 13 133.03 . . 3 . . . . . . . . 4160 1 265 . 1 1 27 27 TYR CE1 C 13 118.33 . . 3 . . . . . . . . 4160 1 266 . 1 1 28 28 LYS N N 15 128.04 . . 1 . . . . . . . . 4160 1 267 . 1 1 28 28 LYS H H 1 7.62 . . 1 . . . . . . . . 4160 1 268 . 1 1 28 28 LYS HA H 1 4.81 . . 1 . . . . . . . . 4160 1 269 . 1 1 28 28 LYS HB2 H 1 1.42 . . 2 . . . . . . . . 4160 1 270 . 1 1 28 28 LYS HB3 H 1 1.34 . . 2 . . . . . . . . 4160 1 271 . 1 1 28 28 LYS HD2 H 1 1.43 . . 2 . . . . . . . . 4160 1 272 . 1 1 28 28 LYS HD3 H 1 1.48 . . 2 . . . . . . . . 4160 1 273 . 1 1 28 28 LYS HE3 H 1 2.63 . . 2 . . . . . . . . 4160 1 274 . 1 1 28 28 LYS HG2 H 1 0.79 . . 2 . . . . . . . . 4160 1 275 . 1 1 28 28 LYS CA C 13 53.83 . . 1 . . . . . . . . 4160 1 276 . 1 1 28 28 LYS CB C 13 35.39 . . 1 . . . . . . . . 4160 1 277 . 1 1 28 28 LYS CD C 13 29.71 . . 1 . . . . . . . . 4160 1 278 . 1 1 28 28 LYS CE C 13 42.05 . . 1 . . . . . . . . 4160 1 279 . 1 1 28 28 LYS CG C 13 24.48 . . 1 . . . . . . . . 4160 1 280 . 1 1 29 29 TYR N N 15 121.61 . . 1 . . . . . . . . 4160 1 281 . 1 1 29 29 TYR H H 1 8.20 . . 1 . . . . . . . . 4160 1 282 . 1 1 29 29 TYR HA H 1 4.54 . . 1 . . . . . . . . 4160 1 283 . 1 1 29 29 TYR HB3 H 1 2.65 . . 1 . . . . . . . . 4160 1 284 . 1 1 29 29 TYR HB2 H 1 2.83 . . 1 . . . . . . . . 4160 1 285 . 1 1 29 29 TYR HD1 H 1 6.71 . . 3 . . . . . . . . 4160 1 286 . 1 1 29 29 TYR HE1 H 1 6.50 . . 3 . . . . . . . . 4160 1 287 . 1 1 29 29 TYR CA C 13 54.94 . . 1 . . . . . . . . 4160 1 288 . 1 1 29 29 TYR CB C 13 39.70 . . 1 . . . . . . . . 4160 1 289 . 1 1 29 29 TYR CD1 C 13 133.83 . . 3 . . . . . . . . 4160 1 290 . 1 1 29 29 TYR CE1 C 13 117.26 . . 3 . . . . . . . . 4160 1 291 . 1 1 30 30 ILE N N 15 120.33 . . 1 . . . . . . . . 4160 1 292 . 1 1 30 30 ILE H H 1 8.12 . . 1 . . . . . . . . 4160 1 293 . 1 1 30 30 ILE HA H 1 4.22 . . 1 . . . . . . . . 4160 1 294 . 1 1 30 30 ILE HB H 1 1.74 . . 1 . . . . . . . . 4160 1 295 . 1 1 30 30 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 4160 1 296 . 1 1 30 30 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 4160 1 297 . 1 1 30 30 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 4160 1 298 . 1 1 30 30 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 4160 1 299 . 1 1 30 30 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 4160 1 300 . 1 1 30 30 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4160 1 301 . 1 1 30 30 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4160 1 302 . 1 1 30 30 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4160 1 303 . 1 1 30 30 ILE CA C 13 58.74 . . 1 . . . . . . . . 4160 1 304 . 1 1 30 30 ILE CB C 13 37.62 . . 1 . . . . . . . . 4160 1 305 . 1 1 30 30 ILE CD1 C 13 10.80 . . 1 . . . . . . . . 4160 1 306 . 1 1 30 30 ILE CG1 C 13 26.78 . . 1 . . . . . . . . 4160 1 307 . 1 1 30 30 ILE CG2 C 13 17.24 . . 1 . . . . . . . . 4160 1 308 . 1 1 31 31 ASP N N 15 128.04 . . 1 . . . . . . . . 4160 1 309 . 1 1 31 31 ASP H H 1 8.57 . . 1 . . . . . . . . 4160 1 310 . 1 1 31 31 ASP HA H 1 4.67 . . 1 . . . . . . . . 4160 1 311 . 1 1 31 31 ASP HB3 H 1 3.58 . . 1 . . . . . . . . 4160 1 312 . 1 1 31 31 ASP HB2 H 1 2.60 . . 1 . . . . . . . . 4160 1 313 . 1 1 31 31 ASP CA C 13 53.29 . . 1 . . . . . . . . 4160 1 314 . 1 1 31 31 ASP CB C 13 41.80 . . 1 . . . . . . . . 4160 1 315 . 1 1 32 32 SER N N 15 112.99 . . 1 . . . . . . . . 4160 1 316 . 1 1 32 32 SER H H 1 8.32 . . 1 . . . . . . . . 4160 1 317 . 1 1 32 32 SER HA H 1 4.05 . . 1 . . . . . . . . 4160 1 318 . 1 1 32 32 SER HB2 H 1 3.58 . . 2 . . . . . . . . 4160 1 319 . 1 1 32 32 SER HB3 H 1 3.64 . . 2 . . . . . . . . 4160 1 320 . 1 1 32 32 SER CA C 13 61.04 . . 1 . . . . . . . . 4160 1 321 . 1 1 32 32 SER CB C 13 62.78 . . 1 . . . . . . . . 4160 1 322 . 1 1 33 33 PHE N N 15 120.88 . . 1 . . . . . . . . 4160 1 323 . 1 1 33 33 PHE H H 1 8.36 . . 1 . . . . . . . . 4160 1 324 . 1 1 33 33 PHE HA H 1 4.58 . . 1 . . . . . . . . 4160 1 325 . 1 1 33 33 PHE HB3 H 1 3.41 . . 1 . . . . . . . . 4160 1 326 . 1 1 33 33 PHE HB2 H 1 3.07 . . 1 . . . . . . . . 4160 1 327 . 1 1 33 33 PHE HD1 H 1 7.23 . . 3 . . . . . . . . 4160 1 328 . 1 1 33 33 PHE HE1 H 1 7.32 . . 3 . . . . . . . . 4160 1 329 . 1 1 33 33 PHE CA C 13 57.45 . . 1 . . . . . . . . 4160 1 330 . 1 1 33 33 PHE CB C 13 38.96 . . 1 . . . . . . . . 4160 1 331 . 1 1 33 33 PHE CD1 C 13 131.73 . . 3 . . . . . . . . 4160 1 332 . 1 1 34 34 GLY N N 15 108.95 . . 1 . . . . . . . . 4160 1 333 . 1 1 34 34 GLY H H 1 8.17 . . 1 . . . . . . . . 4160 1 334 . 1 1 34 34 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 4160 1 335 . 1 1 34 34 GLY HA3 H 1 4.20 . . 2 . . . . . . . . 4160 1 336 . 1 1 34 34 GLY CA C 13 45.46 . . 1 . . . . . . . . 4160 1 337 . 1 1 35 35 GLU N N 15 123.63 . . 1 . . . . . . . . 4160 1 338 . 1 1 35 35 GLU H H 1 8.56 . . 1 . . . . . . . . 4160 1 339 . 1 1 35 35 GLU HA H 1 4.75 . . 1 . . . . . . . . 4160 1 340 . 1 1 35 35 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 4160 1 341 . 1 1 35 35 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4160 1 342 . 1 1 35 35 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4160 1 343 . 1 1 35 35 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 4160 1 344 . 1 1 35 35 GLU CA C 13 53.29 . . 1 . . . . . . . . 4160 1 345 . 1 1 35 35 GLU CB C 13 30.62 . . 1 . . . . . . . . 4160 1 346 . 1 1 35 35 GLU CG C 13 35.50 . . 1 . . . . . . . . 4160 1 347 . 1 1 36 36 PRO HA H 1 4.57 . . 1 . . . . . . . . 4160 1 348 . 1 1 36 36 PRO HB3 H 1 1.82 . . 1 . . . . . . . . 4160 1 349 . 1 1 36 36 PRO HB2 H 1 1.61 . . 1 . . . . . . . . 4160 1 350 . 1 1 36 36 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4160 1 351 . 1 1 36 36 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 4160 1 352 . 1 1 36 36 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 4160 1 353 . 1 1 36 36 PRO HG3 H 1 2.10 . . 2 . . . . . . . . 4160 1 354 . 1 1 36 36 PRO CA C 13 62.20 . . 1 . . . . . . . . 4160 1 355 . 1 1 36 36 PRO CB C 13 32.23 . . 1 . . . . . . . . 4160 1 356 . 1 1 36 36 PRO CD C 13 50.53 . . 1 . . . . . . . . 4160 1 357 . 1 1 36 36 PRO CG C 13 27.33 . . 1 . . . . . . . . 4160 1 358 . 1 1 37 37 GLN N N 15 121.43 . . 1 . . . . . . . . 4160 1 359 . 1 1 37 37 GLN NE2 N 15 111.13 . . 1 . . . . . . . . 4160 1 360 . 1 1 37 37 GLN H H 1 8.46 . . 1 . . . . . . . . 4160 1 361 . 1 1 37 37 GLN HA H 1 4.41 . . 1 . . . . . . . . 4160 1 362 . 1 1 37 37 GLN HB3 H 1 2.10 . . 2 . . . . . . . . 4160 1 363 . 1 1 37 37 GLN HE21 H 1 7.14 . . 2 . . . . . . . . 4160 1 364 . 1 1 37 37 GLN HE22 H 1 6.54 . . 2 . . . . . . . . 4160 1 365 . 1 1 37 37 GLN HG2 H 1 0.25 . . 2 . . . . . . . . 4160 1 366 . 1 1 37 37 GLN HG3 H 1 1.73 . . 2 . . . . . . . . 4160 1 367 . 1 1 37 37 GLN CA C 13 53.05 . . 1 . . . . . . . . 4160 1 368 . 1 1 37 37 GLN CB C 13 31.83 . . 1 . . . . . . . . 4160 1 369 . 1 1 37 37 GLN CG C 13 31.05 . . 1 . . . . . . . . 4160 1 370 . 1 1 38 38 PHE N N 15 116.11 . . 1 . . . . . . . . 4160 1 371 . 1 1 38 38 PHE H H 1 8.27 . . 1 . . . . . . . . 4160 1 372 . 1 1 38 38 PHE HA H 1 5.52 . . 1 . . . . . . . . 4160 1 373 . 1 1 38 38 PHE HB3 H 1 2.56 . . 1 . . . . . . . . 4160 1 374 . 1 1 38 38 PHE HB2 H 1 2.73 . . 1 . . . . . . . . 4160 1 375 . 1 1 38 38 PHE HD1 H 1 7.02 . . 3 . . . . . . . . 4160 1 376 . 1 1 38 38 PHE HE1 H 1 7.15 . . 3 . . . . . . . . 4160 1 377 . 1 1 38 38 PHE CA C 13 56.41 . . 1 . . . . . . . . 4160 1 378 . 1 1 38 38 PHE CB C 13 42.97 . . 1 . . . . . . . . 4160 1 379 . 1 1 38 38 PHE CD1 C 13 131.98 . . 3 . . . . . . . . 4160 1 380 . 1 1 38 38 PHE CE1 C 13 130.73 . . 3 . . . . . . . . 4160 1 381 . 1 1 39 39 VAL N N 15 119.41 . . 1 . . . . . . . . 4160 1 382 . 1 1 39 39 VAL H H 1 8.91 . . 1 . . . . . . . . 4160 1 383 . 1 1 39 39 VAL HA H 1 4.49 . . 1 . . . . . . . . 4160 1 384 . 1 1 39 39 VAL HB H 1 2.19 . . 1 . . . . . . . . 4160 1 385 . 1 1 39 39 VAL HG11 H 1 1.08 . . 1 . . . . . . . . 4160 1 386 . 1 1 39 39 VAL HG12 H 1 1.08 . . 1 . . . . . . . . 4160 1 387 . 1 1 39 39 VAL HG13 H 1 1.08 . . 1 . . . . . . . . 4160 1 388 . 1 1 39 39 VAL HG21 H 1 1.08 . . 1 . . . . . . . . 4160 1 389 . 1 1 39 39 VAL HG22 H 1 1.08 . . 1 . . . . . . . . 4160 1 390 . 1 1 39 39 VAL HG23 H 1 1.08 . . 1 . . . . . . . . 4160 1 391 . 1 1 39 39 VAL CA C 13 60.62 . . 1 . . . . . . . . 4160 1 392 . 1 1 39 39 VAL CB C 13 35.45 . . 1 . . . . . . . . 4160 1 393 . 1 1 39 39 VAL CG1 C 13 22.73 . . 2 . . . . . . . . 4160 1 394 . 1 1 39 39 VAL CG2 C 13 20.94 . . 2 . . . . . . . . 4160 1 395 . 1 1 40 40 TYR N N 15 120.02 . . 1 . . . . . . . . 4160 1 396 . 1 1 40 40 TYR H H 1 8.55 . . 1 . . . . . . . . 4160 1 397 . 1 1 40 40 TYR HA H 1 5.75 . . 1 . . . . . . . . 4160 1 398 . 1 1 40 40 TYR HB3 H 1 2.74 . . 2 . . . . . . . . 4160 1 399 . 1 1 40 40 TYR HD1 H 1 6.95 . . 3 . . . . . . . . 4160 1 400 . 1 1 40 40 TYR HE1 H 1 6.63 . . 3 . . . . . . . . 4160 1 401 . 1 1 40 40 TYR CA C 13 56.19 . . 1 . . . . . . . . 4160 1 402 . 1 1 40 40 TYR CB C 13 43.04 . . 1 . . . . . . . . 4160 1 403 . 1 1 40 40 TYR CD1 C 13 133.33 . . 3 . . . . . . . . 4160 1 404 . 1 1 40 40 TYR CE1 C 13 117.72 . . 3 . . . . . . . . 4160 1 405 . 1 1 41 41 SER N N 15 110.05 . . 1 . . . . . . . . 4160 1 406 . 1 1 41 41 SER H H 1 8.64 . . 1 . . . . . . . . 4160 1 407 . 1 1 41 41 SER HA H 1 4.68 . . 1 . . . . . . . . 4160 1 408 . 1 1 41 41 SER HB2 H 1 4.02 . . 2 . . . . . . . . 4160 1 409 . 1 1 41 41 SER HB3 H 1 3.65 . . 2 . . . . . . . . 4160 1 410 . 1 1 41 41 SER HG H 1 6.20 . . 1 . . . . . . . . 4160 1 411 . 1 1 41 41 SER CA C 13 58.59 . . 1 . . . . . . . . 4160 1 412 . 1 1 41 41 SER CB C 13 63.93 . . 1 . . . . . . . . 4160 1 413 . 1 1 42 42 TRP N N 15 123.08 . . 1 . . . . . . . . 4160 1 414 . 1 1 42 42 TRP NE1 N 15 106.75 . . 1 . . . . . . . . 4160 1 415 . 1 1 42 42 TRP H H 1 7.63 . . 1 . . . . . . . . 4160 1 416 . 1 1 42 42 TRP HA H 1 5.03 . . 1 . . . . . . . . 4160 1 417 . 1 1 42 42 TRP HB3 H 1 3.72 . . 1 . . . . . . . . 4160 1 418 . 1 1 42 42 TRP HB2 H 1 3.12 . . 1 . . . . . . . . 4160 1 419 . 1 1 42 42 TRP HD1 H 1 7.64 . . 1 . . . . . . . . 4160 1 420 . 1 1 42 42 TRP HE1 H 1 10.63 . . 1 . . . . . . . . 4160 1 421 . 1 1 42 42 TRP HE3 H 1 7.78 . . 1 . . . . . . . . 4160 1 422 . 1 1 42 42 TRP HH2 H 1 7.12 . . 1 . . . . . . . . 4160 1 423 . 1 1 42 42 TRP HZ2 H 1 7.50 . . 1 . . . . . . . . 4160 1 424 . 1 1 42 42 TRP HZ3 H 1 7.12 . . 1 . . . . . . . . 4160 1 425 . 1 1 42 42 TRP CA C 13 58.58 . . 1 . . . . . . . . 4160 1 426 . 1 1 42 42 TRP CB C 13 31.54 . . 1 . . . . . . . . 4160 1 427 . 1 1 42 42 TRP CD1 C 13 127.60 . . 1 . . . . . . . . 4160 1 428 . 1 1 42 42 TRP CE3 C 13 119.84 . . 1 . . . . . . . . 4160 1 429 . 1 1 42 42 TRP CH2 C 13 125.33 . . 1 . . . . . . . . 4160 1 430 . 1 1 42 42 TRP CZ2 C 13 114.71 . . 1 . . . . . . . . 4160 1 431 . 1 1 42 42 TRP CZ3 C 13 123.07 . . 1 . . . . . . . . 4160 1 432 . 1 1 43 43 LYS N N 15 119.41 . . 1 . . . . . . . . 4160 1 433 . 1 1 43 43 LYS H H 1 8.64 . . 1 . . . . . . . . 4160 1 434 . 1 1 43 43 LYS HA H 1 4.69 . . 1 . . . . . . . . 4160 1 435 . 1 1 43 43 LYS HB2 H 1 2.10 . . 2 . . . . . . . . 4160 1 436 . 1 1 43 43 LYS HB3 H 1 1.18 . . 2 . . . . . . . . 4160 1 437 . 1 1 43 43 LYS HD2 H 1 1.56 . . 2 . . . . . . . . 4160 1 438 . 1 1 43 43 LYS HD3 H 1 1.87 . . 2 . . . . . . . . 4160 1 439 . 1 1 43 43 LYS HE2 H 1 3.15 . . 2 . . . . . . . . 4160 1 440 . 1 1 43 43 LYS HE3 H 1 3.05 . . 2 . . . . . . . . 4160 1 441 . 1 1 43 43 LYS HG2 H 1 1.20 . . 2 . . . . . . . . 4160 1 442 . 1 1 43 43 LYS CA C 13 55.07 . . 1 . . . . . . . . 4160 1 443 . 1 1 43 43 LYS CB C 13 36.98 . . 1 . . . . . . . . 4160 1 444 . 1 1 43 43 LYS CD C 13 30.59 . . 1 . . . . . . . . 4160 1 445 . 1 1 43 43 LYS CE C 13 42.37 . . 1 . . . . . . . . 4160 1 446 . 1 1 43 43 LYS CG C 13 24.44 . . 1 . . . . . . . . 4160 1 447 . 1 1 44 44 LEU N N 15 128.22 . . 1 . . . . . . . . 4160 1 448 . 1 1 44 44 LEU H H 1 9.32 . . 1 . . . . . . . . 4160 1 449 . 1 1 44 44 LEU HA H 1 3.82 . . 1 . . . . . . . . 4160 1 450 . 1 1 44 44 LEU HB2 H 1 0.08 . . 2 . . . . . . . . 4160 1 451 . 1 1 44 44 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4160 1 452 . 1 1 44 44 LEU HD11 H 1 0.62 . . 2 . . . . . . . . 4160 1 453 . 1 1 44 44 LEU HD12 H 1 0.62 . . 2 . . . . . . . . 4160 1 454 . 1 1 44 44 LEU HD13 H 1 0.62 . . 2 . . . . . . . . 4160 1 455 . 1 1 44 44 LEU HD21 H 1 0.55 . . 2 . . . . . . . . 4160 1 456 . 1 1 44 44 LEU HD22 H 1 0.55 . . 2 . . . . . . . . 4160 1 457 . 1 1 44 44 LEU HD23 H 1 0.55 . . 2 . . . . . . . . 4160 1 458 . 1 1 44 44 LEU HG H 1 1.15 . . 1 . . . . . . . . 4160 1 459 . 1 1 44 44 LEU CA C 13 57.09 . . 1 . . . . . . . . 4160 1 460 . 1 1 44 44 LEU CB C 13 42.93 . . 1 . . . . . . . . 4160 1 461 . 1 1 44 44 LEU CD1 C 13 21.86 . . 1 . . . . . . . . 4160 1 462 . 1 1 44 44 LEU CD2 C 13 24.50 . . 1 . . . . . . . . 4160 1 463 . 1 1 44 44 LEU CG C 13 26.78 . . 1 . . . . . . . . 4160 1 464 . 1 1 45 45 VAL N N 15 107.30 . . 1 . . . . . . . . 4160 1 465 . 1 1 45 45 VAL H H 1 7.23 . . 1 . . . . . . . . 4160 1 466 . 1 1 45 45 VAL HA H 1 4.73 . . 1 . . . . . . . . 4160 1 467 . 1 1 45 45 VAL HB H 1 2.32 . . 1 . . . . . . . . 4160 1 468 . 1 1 45 45 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 4160 1 469 . 1 1 45 45 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 4160 1 470 . 1 1 45 45 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 4160 1 471 . 1 1 45 45 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4160 1 472 . 1 1 45 45 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4160 1 473 . 1 1 45 45 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4160 1 474 . 1 1 45 45 VAL CA C 13 58.46 . . 1 . . . . . . . . 4160 1 475 . 1 1 45 45 VAL CB C 13 35.20 . . 1 . . . . . . . . 4160 1 476 . 1 1 45 45 VAL CG1 C 13 22.66 . . 1 . . . . . . . . 4160 1 477 . 1 1 45 45 VAL CG2 C 13 18.87 . . 1 . . . . . . . . 4160 1 478 . 1 1 46 46 ALA N N 15 123.27 . . 1 . . . . . . . . 4160 1 479 . 1 1 46 46 ALA H H 1 8.67 . . 1 . . . . . . . . 4160 1 480 . 1 1 46 46 ALA HA H 1 3.95 . . 1 . . . . . . . . 4160 1 481 . 1 1 46 46 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4160 1 482 . 1 1 46 46 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4160 1 483 . 1 1 46 46 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4160 1 484 . 1 1 46 46 ALA CA C 13 55.84 . . 1 . . . . . . . . 4160 1 485 . 1 1 46 46 ALA CB C 13 19.54 . . 1 . . . . . . . . 4160 1 486 . 1 1 47 47 THR N N 15 124.92 . . 1 . . . . . . . . 4160 1 487 . 1 1 47 47 THR H H 1 7.07 . . 1 . . . . . . . . 4160 1 488 . 1 1 47 47 THR HA H 1 4.18 . . 1 . . . . . . . . 4160 1 489 . 1 1 47 47 THR HB H 1 4.52 . . 1 . . . . . . . . 4160 1 490 . 1 1 47 47 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4160 1 491 . 1 1 47 47 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4160 1 492 . 1 1 47 47 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4160 1 493 . 1 1 47 47 THR CA C 13 61.45 . . 1 . . . . . . . . 4160 1 494 . 1 1 47 47 THR CB C 13 68.88 . . 1 . . . . . . . . 4160 1 495 . 1 1 47 47 THR CG2 C 13 21.90 . . 1 . . . . . . . . 4160 1 496 . 1 1 48 48 ASP N N 15 123.63 . . 1 . . . . . . . . 4160 1 497 . 1 1 48 48 ASP H H 1 7.56 . . 1 . . . . . . . . 4160 1 498 . 1 1 48 48 ASP HA H 1 4.58 . . 1 . . . . . . . . 4160 1 499 . 1 1 48 48 ASP HB3 H 1 3.14 . . 1 . . . . . . . . 4160 1 500 . 1 1 48 48 ASP HB2 H 1 2.82 . . 1 . . . . . . . . 4160 1 501 . 1 1 48 48 ASP CA C 13 55.24 . . 1 . . . . . . . . 4160 1 502 . 1 1 48 48 ASP CB C 13 41.63 . . 1 . . . . . . . . 4160 1 503 . 1 1 49 49 ARG N N 15 119.78 . . 1 . . . . . . . . 4160 1 504 . 1 1 49 49 ARG H H 1 8.66 . . 1 . . . . . . . . 4160 1 505 . 1 1 49 49 ARG HA H 1 4.69 . . 1 . . . . . . . . 4160 1 506 . 1 1 49 49 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 4160 1 507 . 1 1 49 49 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4160 1 508 . 1 1 49 49 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 4160 1 509 . 1 1 49 49 ARG HG3 H 1 1.73 . . 2 . . . . . . . . 4160 1 510 . 1 1 49 49 ARG CA C 13 54.44 . . 1 . . . . . . . . 4160 1 511 . 1 1 49 49 ARG CB C 13 31.59 . . 1 . . . . . . . . 4160 1 512 . 1 1 49 49 ARG CD C 13 43.35 . . 1 . . . . . . . . 4160 1 513 . 1 1 49 49 ARG CG C 13 27.20 . . 1 . . . . . . . . 4160 1 514 . 1 1 50 50 VAL N N 15 121.06 . . 1 . . . . . . . . 4160 1 515 . 1 1 50 50 VAL H H 1 8.57 . . 1 . . . . . . . . 4160 1 516 . 1 1 50 50 VAL HA H 1 4.29 . . 1 . . . . . . . . 4160 1 517 . 1 1 50 50 VAL HB H 1 1.99 . . 1 . . . . . . . . 4160 1 518 . 1 1 50 50 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 4160 1 519 . 1 1 50 50 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 4160 1 520 . 1 1 50 50 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 4160 1 521 . 1 1 50 50 VAL HG21 H 1 0.86 . . 2 . . . . . . . . 4160 1 522 . 1 1 50 50 VAL HG22 H 1 0.86 . . 2 . . . . . . . . 4160 1 523 . 1 1 50 50 VAL HG23 H 1 0.86 . . 2 . . . . . . . . 4160 1 524 . 1 1 50 50 VAL CA C 13 60.43 . . 1 . . . . . . . . 4160 1 525 . 1 1 50 50 VAL CB C 13 31.64 . . 1 . . . . . . . . 4160 1 526 . 1 1 50 50 VAL CG1 C 13 23.83 . . 1 . . . . . . . . 4160 1 527 . 1 1 50 50 VAL CG2 C 13 20.08 . . 1 . . . . . . . . 4160 1 528 . 1 1 51 51 PRO HA H 1 4.29 . . 1 . . . . . . . . 4160 1 529 . 1 1 51 51 PRO HB2 H 1 1.39 . . 1 . . . . . . . . 4160 1 530 . 1 1 51 51 PRO HB3 H 1 2.25 . . 1 . . . . . . . . 4160 1 531 . 1 1 51 51 PRO HD2 H 1 3.94 . . 2 . . . . . . . . 4160 1 532 . 1 1 51 51 PRO HD3 H 1 3.00 . . 2 . . . . . . . . 4160 1 533 . 1 1 51 51 PRO HG2 H 1 1.62 . . 2 . . . . . . . . 4160 1 534 . 1 1 51 51 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 4160 1 535 . 1 1 51 51 PRO CA C 13 62.71 . . 1 . . . . . . . . 4160 1 536 . 1 1 51 51 PRO CB C 13 31.97 . . 1 . . . . . . . . 4160 1 537 . 1 1 51 51 PRO CD C 13 50.88 . . 1 . . . . . . . . 4160 1 538 . 1 1 51 51 PRO CG C 13 27.70 . . 1 . . . . . . . . 4160 1 539 . 1 1 52 52 ALA N N 15 123.08 . . 1 . . . . . . . . 4160 1 540 . 1 1 52 52 ALA H H 1 8.15 . . 1 . . . . . . . . 4160 1 541 . 1 1 52 52 ALA HA H 1 3.99 . . 1 . . . . . . . . 4160 1 542 . 1 1 52 52 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4160 1 543 . 1 1 52 52 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4160 1 544 . 1 1 52 52 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4160 1 545 . 1 1 52 52 ALA CA C 13 53.71 . . 1 . . . . . . . . 4160 1 546 . 1 1 52 52 ALA CB C 13 18.60 . . 1 . . . . . . . . 4160 1 547 . 1 1 53 53 GLY N N 15 110.60 . . 1 . . . . . . . . 4160 1 548 . 1 1 53 53 GLY H H 1 8.58 . . 1 . . . . . . . . 4160 1 549 . 1 1 53 53 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 4160 1 550 . 1 1 53 53 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 4160 1 551 . 1 1 53 53 GLY CA C 13 45.20 . . 1 . . . . . . . . 4160 1 552 . 1 1 54 54 LYS N N 15 119.41 . . 1 . . . . . . . . 4160 1 553 . 1 1 54 54 LYS H H 1 7.57 . . 1 . . . . . . . . 4160 1 554 . 1 1 54 54 LYS HA H 1 4.42 . . 1 . . . . . . . . 4160 1 555 . 1 1 54 54 LYS HB3 H 1 1.27 . . 1 . . . . . . . . 4160 1 556 . 1 1 54 54 LYS HB2 H 1 1.39 . . 1 . . . . . . . . 4160 1 557 . 1 1 54 54 LYS HD2 H 1 0.93 . . 2 . . . . . . . . 4160 1 558 . 1 1 54 54 LYS HD3 H 1 0.85 . . 2 . . . . . . . . 4160 1 559 . 1 1 54 54 LYS HE2 H 1 2.13 . . 2 . . . . . . . . 4160 1 560 . 1 1 54 54 LYS HE3 H 1 2.04 . . 2 . . . . . . . . 4160 1 561 . 1 1 54 54 LYS HG2 H 1 0.12 . . 2 . . . . . . . . 4160 1 562 . 1 1 54 54 LYS HG3 H 1 0.52 . . 2 . . . . . . . . 4160 1 563 . 1 1 54 54 LYS CA C 13 53.69 . . 1 . . . . . . . . 4160 1 564 . 1 1 54 54 LYS CB C 13 32.17 . . 1 . . . . . . . . 4160 1 565 . 1 1 54 54 LYS CD C 13 27.55 . . 1 . . . . . . . . 4160 1 566 . 1 1 54 54 LYS CE C 13 41.92 . . 1 . . . . . . . . 4160 1 567 . 1 1 54 54 LYS CG C 13 25.07 . . 1 . . . . . . . . 4160 1 568 . 1 1 55 55 ARG N N 15 120.70 . . 1 . . . . . . . . 4160 1 569 . 1 1 55 55 ARG H H 1 8.17 . . 1 . . . . . . . . 4160 1 570 . 1 1 55 55 ARG HA H 1 4.25 . . 1 . . . . . . . . 4160 1 571 . 1 1 55 55 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4160 1 572 . 1 1 55 55 ARG HB3 H 1 1.90 . . 2 . . . . . . . . 4160 1 573 . 1 1 55 55 ARG HD3 H 1 3.25 . . 2 . . . . . . . . 4160 1 574 . 1 1 55 55 ARG HG3 H 1 1.77 . . 2 . . . . . . . . 4160 1 575 . 1 1 55 55 ARG CA C 13 55.93 . . 1 . . . . . . . . 4160 1 576 . 1 1 55 55 ARG CB C 13 31.23 . . 1 . . . . . . . . 4160 1 577 . 1 1 55 55 ARG CD C 13 43.49 . . 1 . . . . . . . . 4160 1 578 . 1 1 55 55 ARG CG C 13 27.43 . . 1 . . . . . . . . 4160 1 579 . 1 1 56 56 ASP N N 15 121.25 . . 1 . . . . . . . . 4160 1 580 . 1 1 56 56 ASP H H 1 8.44 . . 1 . . . . . . . . 4160 1 581 . 1 1 56 56 ASP HA H 1 4.60 . . 1 . . . . . . . . 4160 1 582 . 1 1 56 56 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4160 1 583 . 1 1 56 56 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 4160 1 584 . 1 1 56 56 ASP CA C 13 55.33 . . 1 . . . . . . . . 4160 1 585 . 1 1 56 56 ASP CB C 13 41.17 . . 1 . . . . . . . . 4160 1 586 . 1 1 57 57 CYS N N 15 116.66 . . 1 . . . . . . . . 4160 1 587 . 1 1 57 57 CYS H H 1 7.96 . . 1 . . . . . . . . 4160 1 588 . 1 1 57 57 CYS HA H 1 5.00 . . 1 . . . . . . . . 4160 1 589 . 1 1 57 57 CYS HB3 H 1 3.30 . . 2 . . . . . . . . 4160 1 590 . 1 1 57 57 CYS CA C 13 54.81 . . 1 . . . . . . . . 4160 1 591 . 1 1 57 57 CYS CB C 13 32.16 . . 1 . . . . . . . . 4160 1 592 . 1 1 58 58 ILE N N 15 120.15 . . 1 . . . . . . . . 4160 1 593 . 1 1 58 58 ILE H H 1 8.34 . . 1 . . . . . . . . 4160 1 594 . 1 1 58 58 ILE HA H 1 4.28 . . 1 . . . . . . . . 4160 1 595 . 1 1 58 58 ILE HB H 1 1.73 . . 1 . . . . . . . . 4160 1 596 . 1 1 58 58 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 4160 1 597 . 1 1 58 58 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 4160 1 598 . 1 1 58 58 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 4160 1 599 . 1 1 58 58 ILE HG12 H 1 1.29 . . 2 . . . . . . . . 4160 1 600 . 1 1 58 58 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 4160 1 601 . 1 1 58 58 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 4160 1 602 . 1 1 58 58 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 4160 1 603 . 1 1 58 58 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 4160 1 604 . 1 1 58 58 ILE CA C 13 61.12 . . 1 . . . . . . . . 4160 1 605 . 1 1 58 58 ILE CB C 13 38.15 . . 1 . . . . . . . . 4160 1 606 . 1 1 58 58 ILE CD1 C 13 12.47 . . 1 . . . . . . . . 4160 1 607 . 1 1 58 58 ILE CG1 C 13 27.63 . . 1 . . . . . . . . 4160 1 608 . 1 1 58 58 ILE CG2 C 13 18.06 . . 1 . . . . . . . . 4160 1 609 . 1 1 59 59 SER N N 15 122.90 . . 1 . . . . . . . . 4160 1 610 . 1 1 59 59 SER H H 1 8.47 . . 1 . . . . . . . . 4160 1 611 . 1 1 59 59 SER HA H 1 4.23 . . 1 . . . . . . . . 4160 1 612 . 1 1 59 59 SER HB2 H 1 3.32 . . 2 . . . . . . . . 4160 1 613 . 1 1 59 59 SER HB3 H 1 3.40 . . 2 . . . . . . . . 4160 1 614 . 1 1 59 59 SER CA C 13 58.91 . . 1 . . . . . . . . 4160 1 615 . 1 1 59 59 SER CB C 13 65.44 . . 1 . . . . . . . . 4160 1 616 . 1 1 60 60 LEU N N 15 121.61 . . 1 . . . . . . . . 4160 1 617 . 1 1 60 60 LEU H H 1 8.80 . . 1 . . . . . . . . 4160 1 618 . 1 1 60 60 LEU HA H 1 3.66 . . 1 . . . . . . . . 4160 1 619 . 1 1 60 60 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 4160 1 620 . 1 1 60 60 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 4160 1 621 . 1 1 60 60 LEU HD11 H 1 0.78 . . 2 . . . . . . . . 4160 1 622 . 1 1 60 60 LEU HD12 H 1 0.78 . . 2 . . . . . . . . 4160 1 623 . 1 1 60 60 LEU HD13 H 1 0.78 . . 2 . . . . . . . . 4160 1 624 . 1 1 60 60 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4160 1 625 . 1 1 60 60 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4160 1 626 . 1 1 60 60 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4160 1 627 . 1 1 60 60 LEU HG H 1 1.50 . . 1 . . . . . . . . 4160 1 628 . 1 1 60 60 LEU CA C 13 58.64 . . 1 . . . . . . . . 4160 1 629 . 1 1 60 60 LEU CB C 13 43.82 . . 1 . . . . . . . . 4160 1 630 . 1 1 60 60 LEU CD1 C 13 23.63 . . 2 . . . . . . . . 4160 1 631 . 1 1 60 60 LEU CD2 C 13 25.83 . . 2 . . . . . . . . 4160 1 632 . 1 1 60 60 LEU CG C 13 26.19 . . 1 . . . . . . . . 4160 1 633 . 1 1 61 61 ARG N N 15 112.99 . . 1 . . . . . . . . 4160 1 634 . 1 1 61 61 ARG NE N 15 111.34 . . 1 . . . . . . . . 4160 1 635 . 1 1 61 61 ARG H H 1 8.32 . . 1 . . . . . . . . 4160 1 636 . 1 1 61 61 ARG HA H 1 3.84 . . 1 . . . . . . . . 4160 1 637 . 1 1 61 61 ARG HB3 H 1 1.68 . . 1 . . . . . . . . 4160 1 638 . 1 1 61 61 ARG HB2 H 1 1.85 . . 1 . . . . . . . . 4160 1 639 . 1 1 61 61 ARG HD3 H 1 2.94 . . 2 . . . . . . . . 4160 1 640 . 1 1 61 61 ARG HE H 1 10.11 . . 1 . . . . . . . . 4160 1 641 . 1 1 61 61 ARG HG2 H 1 1.40 . . 2 . . . . . . . . 4160 1 642 . 1 1 61 61 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4160 1 643 . 1 1 61 61 ARG CA C 13 60.70 . . 1 . . . . . . . . 4160 1 644 . 1 1 61 61 ARG CB C 13 28.60 . . 1 . . . . . . . . 4160 1 645 . 1 1 61 61 ARG CD C 13 42.92 . . 1 . . . . . . . . 4160 1 646 . 1 1 61 61 ARG CG C 13 30.17 . . 1 . . . . . . . . 4160 1 647 . 1 1 62 62 GLU N N 15 121.25 . . 1 . . . . . . . . 4160 1 648 . 1 1 62 62 GLU H H 1 7.50 . . 1 . . . . . . . . 4160 1 649 . 1 1 62 62 GLU HA H 1 3.98 . . 1 . . . . . . . . 4160 1 650 . 1 1 62 62 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4160 1 651 . 1 1 62 62 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 4160 1 652 . 1 1 62 62 GLU HG2 H 1 2.15 . . 2 . . . . . . . . 4160 1 653 . 1 1 62 62 GLU CA C 13 59.63 . . 1 . . . . . . . . 4160 1 654 . 1 1 62 62 GLU CB C 13 30.67 . . 1 . . . . . . . . 4160 1 655 . 1 1 62 62 GLU CG C 13 38.32 . . 1 . . . . . . . . 4160 1 656 . 1 1 63 63 LYS N N 15 121.25 . . 1 . . . . . . . . 4160 1 657 . 1 1 63 63 LYS H H 1 8.08 . . 1 . . . . . . . . 4160 1 658 . 1 1 63 63 LYS HA H 1 3.95 . . 1 . . . . . . . . 4160 1 659 . 1 1 63 63 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 4160 1 660 . 1 1 63 63 LYS HB3 H 1 1.99 . . 2 . . . . . . . . 4160 1 661 . 1 1 63 63 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4160 1 662 . 1 1 63 63 LYS HD3 H 1 1.51 . . 2 . . . . . . . . 4160 1 663 . 1 1 63 63 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4160 1 664 . 1 1 63 63 LYS HE3 H 1 3.08 . . 2 . . . . . . . . 4160 1 665 . 1 1 63 63 LYS HG2 H 1 1.40 . . 2 . . . . . . . . 4160 1 666 . 1 1 63 63 LYS HG3 H 1 1.63 . . 2 . . . . . . . . 4160 1 667 . 1 1 63 63 LYS CA C 13 59.86 . . 1 . . . . . . . . 4160 1 668 . 1 1 63 63 LYS CB C 13 32.62 . . 1 . . . . . . . . 4160 1 669 . 1 1 63 63 LYS CD C 13 30.30 . . 1 . . . . . . . . 4160 1 670 . 1 1 63 63 LYS CE C 13 42.43 . . 1 . . . . . . . . 4160 1 671 . 1 1 63 63 LYS CG C 13 26.03 . . 1 . . . . . . . . 4160 1 672 . 1 1 64 64 ILE N N 15 120.33 . . 1 . . . . . . . . 4160 1 673 . 1 1 64 64 ILE H H 1 8.43 . . 1 . . . . . . . . 4160 1 674 . 1 1 64 64 ILE HA H 1 3.07 . . 1 . . . . . . . . 4160 1 675 . 1 1 64 64 ILE HB H 1 1.30 . . 1 . . . . . . . . 4160 1 676 . 1 1 64 64 ILE HD11 H 1 0.31 . . 1 . . . . . . . . 4160 1 677 . 1 1 64 64 ILE HD12 H 1 0.31 . . 1 . . . . . . . . 4160 1 678 . 1 1 64 64 ILE HD13 H 1 0.31 . . 1 . . . . . . . . 4160 1 679 . 1 1 64 64 ILE HG12 H 1 -0.58 . . 2 . . . . . . . . 4160 1 680 . 1 1 64 64 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4160 1 681 . 1 1 64 64 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 4160 1 682 . 1 1 64 64 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 4160 1 683 . 1 1 64 64 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 4160 1 684 . 1 1 64 64 ILE CA C 13 65.49 . . 1 . . . . . . . . 4160 1 685 . 1 1 64 64 ILE CB C 13 38.50 . . 1 . . . . . . . . 4160 1 686 . 1 1 64 64 ILE CD1 C 13 16.58 . . 1 . . . . . . . . 4160 1 687 . 1 1 64 64 ILE CG1 C 13 28.23 . . 1 . . . . . . . . 4160 1 688 . 1 1 64 64 ILE CG2 C 13 16.64 . . 1 . . . . . . . . 4160 1 689 . 1 1 65 65 ALA N N 15 121.25 . . 1 . . . . . . . . 4160 1 690 . 1 1 65 65 ALA H H 1 7.30 . . 1 . . . . . . . . 4160 1 691 . 1 1 65 65 ALA HA H 1 4.00 . . 1 . . . . . . . . 4160 1 692 . 1 1 65 65 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4160 1 693 . 1 1 65 65 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4160 1 694 . 1 1 65 65 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4160 1 695 . 1 1 65 65 ALA CA C 13 54.87 . . 1 . . . . . . . . 4160 1 696 . 1 1 65 65 ALA CB C 13 18.09 . . 1 . . . . . . . . 4160 1 697 . 1 1 66 66 GLU N N 15 117.39 . . 1 . . . . . . . . 4160 1 698 . 1 1 66 66 GLU H H 1 7.44 . . 1 . . . . . . . . 4160 1 699 . 1 1 66 66 GLU HA H 1 4.02 . . 1 . . . . . . . . 4160 1 700 . 1 1 66 66 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 4160 1 701 . 1 1 66 66 GLU HB3 H 1 2.20 . . 2 . . . . . . . . 4160 1 702 . 1 1 66 66 GLU HG2 H 1 2.41 . . 2 . . . . . . . . 4160 1 703 . 1 1 66 66 GLU CA C 13 58.58 . . 1 . . . . . . . . 4160 1 704 . 1 1 66 66 GLU CB C 13 29.69 . . 1 . . . . . . . . 4160 1 705 . 1 1 66 66 GLU CG C 13 35.93 . . 1 . . . . . . . . 4160 1 706 . 1 1 67 67 LEU N N 15 120.15 . . 1 . . . . . . . . 4160 1 707 . 1 1 67 67 LEU H H 1 7.69 . . 1 . . . . . . . . 4160 1 708 . 1 1 67 67 LEU HA H 1 4.07 . . 1 . . . . . . . . 4160 1 709 . 1 1 67 67 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 4160 1 710 . 1 1 67 67 LEU HB3 H 1 1.30 . . 2 . . . . . . . . 4160 1 711 . 1 1 67 67 LEU HD11 H 1 0.65 . . 2 . . . . . . . . 4160 1 712 . 1 1 67 67 LEU HD12 H 1 0.65 . . 2 . . . . . . . . 4160 1 713 . 1 1 67 67 LEU HD13 H 1 0.65 . . 2 . . . . . . . . 4160 1 714 . 1 1 67 67 LEU HD21 H 1 0.50 . . 2 . . . . . . . . 4160 1 715 . 1 1 67 67 LEU HD22 H 1 0.50 . . 2 . . . . . . . . 4160 1 716 . 1 1 67 67 LEU HD23 H 1 0.50 . . 2 . . . . . . . . 4160 1 717 . 1 1 67 67 LEU HG H 1 1.67 . . 1 . . . . . . . . 4160 1 718 . 1 1 67 67 LEU CA C 13 56.96 . . 1 . . . . . . . . 4160 1 719 . 1 1 67 67 LEU CB C 13 42.13 . . 1 . . . . . . . . 4160 1 720 . 1 1 67 67 LEU CD1 C 13 25.53 . . 2 . . . . . . . . 4160 1 721 . 1 1 67 67 LEU CD2 C 13 23.17 . . 2 . . . . . . . . 4160 1 722 . 1 1 67 67 LEU CG C 13 26.16 . . 1 . . . . . . . . 4160 1 723 . 1 1 68 68 GLN N N 15 116.84 . . 1 . . . . . . . . 4160 1 724 . 1 1 68 68 GLN NE2 N 15 111.65 . . 1 . . . . . . . . 4160 1 725 . 1 1 68 68 GLN H H 1 7.80 . . 1 . . . . . . . . 4160 1 726 . 1 1 68 68 GLN HA H 1 4.06 . . 1 . . . . . . . . 4160 1 727 . 1 1 68 68 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4160 1 728 . 1 1 68 68 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 4160 1 729 . 1 1 68 68 GLN HE21 H 1 6.74 . . 2 . . . . . . . . 4160 1 730 . 1 1 68 68 GLN HE22 H 1 7.15 . . 2 . . . . . . . . 4160 1 731 . 1 1 68 68 GLN HG2 H 1 2.32 . . 2 . . . . . . . . 4160 1 732 . 1 1 68 68 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 4160 1 733 . 1 1 68 68 GLN CA C 13 56.95 . . 1 . . . . . . . . 4160 1 734 . 1 1 68 68 GLN CB C 13 28.46 . . 1 . . . . . . . . 4160 1 735 . 1 1 68 68 GLN CG C 13 33.96 . . 1 . . . . . . . . 4160 1 736 . 1 1 69 69 LYS N N 15 120.15 . . 1 . . . . . . . . 4160 1 737 . 1 1 69 69 LYS H H 1 7.59 . . 1 . . . . . . . . 4160 1 738 . 1 1 69 69 LYS HA H 1 4.13 . . 1 . . . . . . . . 4160 1 739 . 1 1 69 69 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4160 1 740 . 1 1 69 69 LYS HD3 H 1 1.64 . . 2 . . . . . . . . 4160 1 741 . 1 1 69 69 LYS HE3 H 1 2.96 . . 2 . . . . . . . . 4160 1 742 . 1 1 69 69 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 4160 1 743 . 1 1 69 69 LYS CA C 13 57.85 . . 1 . . . . . . . . 4160 1 744 . 1 1 69 69 LYS CB C 13 32.78 . . 1 . . . . . . . . 4160 1 745 . 1 1 69 69 LYS CD C 13 29.07 . . 1 . . . . . . . . 4160 1 746 . 1 1 69 69 LYS CE C 13 41.65 . . 1 . . . . . . . . 4160 1 747 . 1 1 69 69 LYS CG C 13 24.82 . . 1 . . . . . . . . 4160 1 748 . 1 1 70 70 ASP N N 15 119.97 . . 1 . . . . . . . . 4160 1 749 . 1 1 70 70 ASP H H 1 8.04 . . 1 . . . . . . . . 4160 1 750 . 1 1 70 70 ASP HA H 1 4.57 . . 1 . . . . . . . . 4160 1 751 . 1 1 70 70 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4160 1 752 . 1 1 70 70 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 4160 1 753 . 1 1 70 70 ASP CA C 13 54.85 . . 1 . . . . . . . . 4160 1 754 . 1 1 70 70 ASP CB C 13 41.31 . . 1 . . . . . . . . 4160 1 755 . 1 1 71 71 ILE N N 15 120.15 . . 1 . . . . . . . . 4160 1 756 . 1 1 71 71 ILE H H 1 7.80 . . 1 . . . . . . . . 4160 1 757 . 1 1 71 71 ILE HA H 1 4.06 . . 1 . . . . . . . . 4160 1 758 . 1 1 71 71 ILE HB H 1 1.78 . . 1 . . . . . . . . 4160 1 759 . 1 1 71 71 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4160 1 760 . 1 1 71 71 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4160 1 761 . 1 1 71 71 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4160 1 762 . 1 1 71 71 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 4160 1 763 . 1 1 71 71 ILE HG13 H 1 1.35 . . 2 . . . . . . . . 4160 1 764 . 1 1 71 71 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4160 1 765 . 1 1 71 71 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4160 1 766 . 1 1 71 71 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4160 1 767 . 1 1 71 71 ILE CA C 13 61.91 . . 1 . . . . . . . . 4160 1 768 . 1 1 71 71 ILE CB C 13 38.51 . . 1 . . . . . . . . 4160 1 769 . 1 1 71 71 ILE CD1 C 13 13.27 . . 1 . . . . . . . . 4160 1 770 . 1 1 71 71 ILE CG1 C 13 27.32 . . 1 . . . . . . . . 4160 1 771 . 1 1 71 71 ILE CG2 C 13 17.43 . . 1 . . . . . . . . 4160 1 772 . 1 1 72 72 HIS N N 15 122.02 . . 1 . . . . . . . . 4160 1 773 . 1 1 72 72 HIS H H 1 8.35 . . 1 . . . . . . . . 4160 1 774 . 1 1 72 72 HIS HA H 1 4.64 . . 1 . . . . . . . . 4160 1 775 . 1 1 72 72 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 4160 1 776 . 1 1 72 72 HIS HB3 H 1 3.11 . . 2 . . . . . . . . 4160 1 777 . 1 1 72 72 HIS HD2 H 1 7.28 . . 2 . . . . . . . . 4160 1 778 . 1 1 72 72 HIS HE1 H 1 8.49 . . 2 . . . . . . . . 4160 1 779 . 1 1 72 72 HIS CA C 13 55.87 . . 1 . . . . . . . . 4160 1 780 . 1 1 72 72 HIS CB C 13 29.16 . . 1 . . . . . . . . 4160 1 781 . 1 1 72 72 HIS CD2 C 13 119.73 . . 1 . . . . . . . . 4160 1 782 . 1 1 72 72 HIS CE1 C 13 136.35 . . 1 . . . . . . . . 4160 1 783 . 1 1 73 73 ASP N N 15 121.41 . . 1 . . . . . . . . 4160 1 784 . 1 1 73 73 ASP H H 1 8.30 . . 1 . . . . . . . . 4160 1 785 . 1 1 73 73 ASP HA H 1 4.57 . . 1 . . . . . . . . 4160 1 786 . 1 1 73 73 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4160 1 787 . 1 1 73 73 ASP CA C 13 54.76 . . 1 . . . . . . . . 4160 1 788 . 1 1 73 73 ASP CB C 13 41.28 . . 1 . . . . . . . . 4160 1 789 . 1 1 74 74 GLY N N 15 109.33 . . 1 . . . . . . . . 4160 1 790 . 1 1 74 74 GLY H H 1 8.28 . . 1 . . . . . . . . 4160 1 791 . 1 1 74 74 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4160 1 792 . 1 1 74 74 GLY CA C 13 45.62 . . 1 . . . . . . . . 4160 1 793 . 1 1 75 75 ILE N N 15 119.85 . . 1 . . . . . . . . 4160 1 794 . 1 1 75 75 ILE H H 1 7.90 . . 1 . . . . . . . . 4160 1 795 . 1 1 75 75 ILE HA H 1 4.14 . . 1 . . . . . . . . 4160 1 796 . 1 1 75 75 ILE HB H 1 1.85 . . 1 . . . . . . . . 4160 1 797 . 1 1 75 75 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4160 1 798 . 1 1 75 75 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4160 1 799 . 1 1 75 75 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4160 1 800 . 1 1 75 75 ILE HG12 H 1 1.44 . . 2 . . . . . . . . 4160 1 801 . 1 1 75 75 ILE HG13 H 1 1.11 . . 2 . . . . . . . . 4160 1 802 . 1 1 75 75 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4160 1 803 . 1 1 75 75 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4160 1 804 . 1 1 75 75 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4160 1 805 . 1 1 75 75 ILE CA C 13 61.29 . . 1 . . . . . . . . 4160 1 806 . 1 1 75 75 ILE CB C 13 38.81 . . 1 . . . . . . . . 4160 1 807 . 1 1 75 75 ILE CD1 C 13 13.11 . . 1 . . . . . . . . 4160 1 808 . 1 1 75 75 ILE CG1 C 13 27.24 . . 1 . . . . . . . . 4160 1 809 . 1 1 75 75 ILE CG2 C 13 17.49 . . 1 . . . . . . . . 4160 1 810 . 1 1 76 76 ASP N N 15 124.12 . . 1 . . . . . . . . 4160 1 811 . 1 1 76 76 ASP H H 1 8.42 . . 1 . . . . . . . . 4160 1 812 . 1 1 76 76 ASP HA H 1 4.61 . . 1 . . . . . . . . 4160 1 813 . 1 1 76 76 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4160 1 814 . 1 1 76 76 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4160 1 815 . 1 1 76 76 ASP CA C 13 54.35 . . 1 . . . . . . . . 4160 1 816 . 1 1 76 76 ASP CB C 13 41.15 . . 1 . . . . . . . . 4160 1 817 . 1 1 77 77 VAL N N 15 120.31 . . 1 . . . . . . . . 4160 1 818 . 1 1 77 77 VAL H H 1 8.01 . . 1 . . . . . . . . 4160 1 819 . 1 1 77 77 VAL HA H 1 4.11 . . 1 . . . . . . . . 4160 1 820 . 1 1 77 77 VAL HB H 1 2.07 . . 1 . . . . . . . . 4160 1 821 . 1 1 77 77 VAL HG11 H 1 0.87 . . 2 . . . . . . . . 4160 1 822 . 1 1 77 77 VAL HG12 H 1 0.87 . . 2 . . . . . . . . 4160 1 823 . 1 1 77 77 VAL HG13 H 1 0.87 . . 2 . . . . . . . . 4160 1 824 . 1 1 77 77 VAL CA C 13 62.40 . . 1 . . . . . . . . 4160 1 825 . 1 1 77 77 VAL CB C 13 32.67 . . 1 . . . . . . . . 4160 1 826 . 1 1 77 77 VAL CG1 C 13 20.89 . . 2 . . . . . . . . 4160 1 827 . 1 1 77 77 VAL CG2 C 13 25.09 . . 2 . . . . . . . . 4160 1 828 . 1 1 78 78 VAL N N 15 123.78 . . 1 . . . . . . . . 4160 1 829 . 1 1 78 78 VAL H H 1 8.12 . . 1 . . . . . . . . 4160 1 830 . 1 1 78 78 VAL HA H 1 4.04 . . 1 . . . . . . . . 4160 1 831 . 1 1 78 78 VAL HB H 1 2.05 . . 1 . . . . . . . . 4160 1 832 . 1 1 78 78 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4160 1 833 . 1 1 78 78 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4160 1 834 . 1 1 78 78 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4160 1 835 . 1 1 78 78 VAL CA C 13 62.96 . . 1 . . . . . . . . 4160 1 836 . 1 1 78 78 VAL CB C 13 32.51 . . 1 . . . . . . . . 4160 1 837 . 1 1 78 78 VAL CG1 C 13 21.09 . . 2 . . . . . . . . 4160 1 838 . 1 1 79 79 GLY N N 15 112.66 . . 1 . . . . . . . . 4160 1 839 . 1 1 79 79 GLY H H 1 8.43 . . 1 . . . . . . . . 4160 1 840 . 1 1 79 79 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4160 1 841 . 1 1 79 79 GLY HA3 H 1 4.73 . . 2 . . . . . . . . 4160 1 842 . 1 1 79 79 GLY CA C 13 45.43 . . 1 . . . . . . . . 4160 1 843 . 1 1 80 80 LYS N N 15 121.74 . . 1 . . . . . . . . 4160 1 844 . 1 1 80 80 LYS H H 1 8.04 . . 1 . . . . . . . . 4160 1 845 . 1 1 80 80 LYS HA H 1 4.30 . . 1 . . . . . . . . 4160 1 846 . 1 1 80 80 LYS HB3 H 1 1.80 . . 2 . . . . . . . . 4160 1 847 . 1 1 80 80 LYS CA C 13 56.36 . . 1 . . . . . . . . 4160 1 848 . 1 1 80 80 LYS CB C 13 33.29 . . 1 . . . . . . . . 4160 1 849 . 1 1 80 80 LYS CE C 13 42.28 . . 1 . . . . . . . . 4160 1 850 . 1 1 81 81 LYS N N 15 128.72 . . 1 . . . . . . . . 4160 1 851 . 1 1 81 81 LYS H H 1 7.98 . . 1 . . . . . . . . 4160 1 852 . 1 1 81 81 LYS HA H 1 4.15 . . 1 . . . . . . . . 4160 1 853 . 1 1 81 81 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 4160 1 854 . 1 1 81 81 LYS CA C 13 57.77 . . 1 . . . . . . . . 4160 1 855 . 1 1 81 81 LYS CB C 13 33.86 . . 1 . . . . . . . . 4160 1 stop_ save_