data_4281 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4281 _Entry.Title ; Backbone and Side Chain 1H, 13C, and 15N Chemical Shift Assignments for AbrBN ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-12-10 _Entry.Accession_date 1998-12-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Benjamin Bobay . G. . 4281 2 Antonina Andreeva . . . 4281 3 Geoffrey Mueller . A. . 4281 4 John Cavanagh . . . 4281 5 Alexey Murzin . G. . 4281 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4281 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 403 4281 '13C chemical shifts' 238 4281 '15N chemical shifts' 54 4281 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 . . 2005-08-05 . update author 'update of PDB ID and remove the coupling constants' 4281 2 . . 2001-01-11 . original author 'original release' 4281 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4281 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Revised structure of the AbrB N-terminal domain unifies a diverse superfamily of putative DNA-binding proteins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Benjamin Bobay . G. . 4281 1 2 Antonina Andreeva . . . 4281 1 3 Geoffrey Mueller . A. . 4281 1 4 John Cavanagh . . . 4281 1 5 Alexey Murzin . G. . 4281 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4281 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hartel et al, Eur. J. Biochem v. 129, 343-357 (1982) and Orbons, et al, IBID, v 170, 225-239 (1987). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4281 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Live, D.H. et al, JACS, v. 106, 1939-1941 (1984) and Bax and Subramanian, J. Mag. Res., v. 67, 565-569 (1986) ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AbrB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AbrB _Assembly.Entry_ID 4281 _Assembly.ID 1 _Assembly.Name AbrBN _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 'not present' _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 dimer 4281 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 'AbrBN subunit 1' 1 $AbrBN . . . native . . 1 . . 4281 1 2 'AbrBN subunit 2' 1 $AbrBN . . . native . . 1 . . 4281 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1Z0R . . . . . . 4281 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID AbrBN system 4281 1 AbrB abbreviation 4281 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-binding protein' 4281 1 'gene regulator' 4281 1 'expression inhibitor' 4281 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AbrBN _Entity.Sf_category entity _Entity.Sf_framecode AbrBN _Entity.Entry_ID 4281 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AbrB _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 ; MKSTGIVRKVDELGRVVIPI ELRRTLGIAEKDALEIYVDD EKIILKKYKPNMT ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6100 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; N-terminal DNA binding domain, residues 1-53. Full protein is a hexamer of 94 residue components. ; _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 17650 . ba . . . . . 100.00 94 100.00 100.00 4.04e-27 . . . . 4281 1 2 no PDB 1YFB . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 96.23 59 100.00 100.00 5.14e-26 . . . . 4281 1 3 no PDB 1YSF . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 96.23 59 100.00 100.00 5.14e-26 . . . . 4281 1 4 no PDB 1Z0R . "Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transcription-State Regulator Abrb" . . . . . 100.00 53 100.00 100.00 5.92e-27 . . . . 4281 1 5 no PDB 2K1N . "Dna Bound Structure Of The N-Terminal Domain Of Abrb" . . . . . 100.00 55 100.00 100.00 4.14e-27 . . . . 4281 1 6 no PDB 2RO4 . "Rdc-Refined Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transition-State Regulator Abr" . . . . . 100.00 53 100.00 100.00 5.92e-27 . . . . 4281 1 7 no DBJ BAA05272 . "transition state regulatory protein [Bacillus subtilis]" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 8 no DBJ BAI83483 . "transcriptional regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 9 no DBJ BAL15827 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus NC7401]" . . . . . 100.00 94 100.00 100.00 3.62e-27 . . . . 4281 1 10 no DBJ BAM48968 . "transcriptional regulator [Bacillus subtilis BEST7613]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 11 no DBJ BAM56238 . "transcriptional regulator [Bacillus subtilis BEST7003]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 12 no EMBL CAA31307 . "unnamed protein product [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 13 no EMBL CAA43955 . "abrB [Bacillus subtilis]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 14 no EMBL CAB11813 . "transcriptional regulator for transition state genes [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 15 no EMBL CBI41163 . "transcriptional regulator for transition state genes [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 16 no EMBL CCF03572 . "Transition state regulatory protein abrB [Bacillus methylotrophicus CAU B946]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 17 no GB AAA22195 . "abrB protein [Bacillus subtilis]" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 18 no GB AAP07140 . "Transcription state regulatory protein abrB [Bacillus cereus ATCC 14579]" . . . . . 100.00 94 100.00 100.00 3.62e-27 . . . . 4281 1 19 no GB AAP24090 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. Ames]" . . . . . 100.00 94 100.00 100.00 4.04e-27 . . . . 4281 1 20 no GB AAS38971 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus ATCC 10987]" . . . . . 100.00 94 100.00 100.00 3.62e-27 . . . . 4281 1 21 no GB AAT29114 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 100.00 94 100.00 100.00 4.04e-27 . . . . 4281 1 22 no PRF 1715209A . "transcription regulator AbrB" . . . . . 100.00 94 100.00 100.00 1.96e-27 . . . . 4281 1 23 no REF NP_387918 . "transition state regulatory protein AbrB [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 24 no REF NP_829939 . "transcription state transcriptional regulator AbrB [Bacillus cereus ATCC 14579]" . . . . . 100.00 94 100.00 100.00 3.62e-27 . . . . 4281 1 25 no REF NP_842604 . "transition state transcriptional regulator AbrB [Bacillus anthracis str. Ames]" . . . . . 100.00 94 100.00 100.00 4.04e-27 . . . . 4281 1 26 no REF WP_000843034 . "transition state regulator Abh [Bacillus anthracis]" . . . . . 100.00 94 100.00 100.00 4.13e-27 . . . . 4281 1 27 no REF WP_000843035 . "transition state regulator Abh [Bacillus anthracis]" . . . . . 100.00 94 100.00 100.00 4.04e-27 . . . . 4281 1 28 no SP P08874 . "RecName: Full=Transition state regulatory protein AbrB" . . . . . 100.00 96 100.00 100.00 2.56e-27 . . . . 4281 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AbrB common 4281 1 AbrBN variant 4281 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 . 4281 1 2 . LYS . 4281 1 3 . SER . 4281 1 4 . THR . 4281 1 5 . GLY . 4281 1 6 . ILE . 4281 1 7 . VAL . 4281 1 8 . ARG . 4281 1 9 . LYS . 4281 1 10 . VAL . 4281 1 11 . ASP . 4281 1 12 . GLU . 4281 1 13 . LEU . 4281 1 14 . GLY . 4281 1 15 . ARG . 4281 1 16 . VAL . 4281 1 17 . VAL . 4281 1 18 . ILE . 4281 1 19 . PRO . 4281 1 20 . ILE . 4281 1 21 . GLU . 4281 1 22 . LEU . 4281 1 23 . ARG . 4281 1 24 . ARG . 4281 1 25 . THR . 4281 1 26 . LEU . 4281 1 27 . GLY . 4281 1 28 . ILE . 4281 1 29 . ALA . 4281 1 30 . GLU . 4281 1 31 . LYS . 4281 1 32 . ASP . 4281 1 33 . ALA . 4281 1 34 . LEU . 4281 1 35 . GLU . 4281 1 36 . ILE . 4281 1 37 . TYR . 4281 1 38 . VAL . 4281 1 39 . ASP . 4281 1 40 . ASP . 4281 1 41 . GLU . 4281 1 42 . LYS . 4281 1 43 . ILE . 4281 1 44 . ILE . 4281 1 45 . LEU . 4281 1 46 . LYS . 4281 1 47 . LYS . 4281 1 48 . TYR . 4281 1 49 . LYS . 4281 1 50 . PRO . 4281 1 51 . ASN . 4281 1 52 . MET . 4281 1 53 . THR . 4281 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 4281 1 . LYS 2 2 4281 1 . SER 3 3 4281 1 . THR 4 4 4281 1 . GLY 5 5 4281 1 . ILE 6 6 4281 1 . VAL 7 7 4281 1 . ARG 8 8 4281 1 . LYS 9 9 4281 1 . VAL 10 10 4281 1 . ASP 11 11 4281 1 . GLU 12 12 4281 1 . LEU 13 13 4281 1 . GLY 14 14 4281 1 . ARG 15 15 4281 1 . VAL 16 16 4281 1 . VAL 17 17 4281 1 . ILE 18 18 4281 1 . PRO 19 19 4281 1 . ILE 20 20 4281 1 . GLU 21 21 4281 1 . LEU 22 22 4281 1 . ARG 23 23 4281 1 . ARG 24 24 4281 1 . THR 25 25 4281 1 . LEU 26 26 4281 1 . GLY 27 27 4281 1 . ILE 28 28 4281 1 . ALA 29 29 4281 1 . GLU 30 30 4281 1 . LYS 31 31 4281 1 . ASP 32 32 4281 1 . ALA 33 33 4281 1 . LEU 34 34 4281 1 . GLU 35 35 4281 1 . ILE 36 36 4281 1 . TYR 37 37 4281 1 . VAL 38 38 4281 1 . ASP 39 39 4281 1 . ASP 40 40 4281 1 . GLU 41 41 4281 1 . LYS 42 42 4281 1 . ILE 43 43 4281 1 . ILE 44 44 4281 1 . LEU 45 45 4281 1 . LYS 46 46 4281 1 . LYS 47 47 4281 1 . TYR 48 48 4281 1 . LYS 49 49 4281 1 . PRO 50 50 4281 1 . ASN 51 51 4281 1 . MET 52 52 4281 1 . THR 53 53 4281 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 4281 _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 $AbrBN . 1423 organism . 'Bacillus subtilis' 'B. subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 4281 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 4281 _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 $AbrBN . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pET24 . . . . . . 4281 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4281 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; pH 5.8, 15 mM KCl, 20 mM K-PO, 1mM DTT, .02% NaN3 All experiments run at 305 K. Samples were in 95%H2O/5%D2O. ; _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 AbrB '[U-99% 13C; U-99% 15N]' . . 1 $AbrBN . . . 1.5 2.5 mM . . . . 4281 1 2 KCl . . . . . . . 15 . . mM . . . . 4281 1 3 K-PO . . . . . . . 10 . . mM . . . . 4281 1 4 DTT . . . . . . . 1 . . mM . . . . 4281 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 4281 1 6 D20 . . . . . . . 5 . . % . . . . 4281 1 7 H2O . . . . . . . 95 . . % . . . . 4281 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4281 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; pH 5.8, 15 mM KCl, 20 mM K-PO, 1mM DTT, .02% NaN3 All experiments run at 305 K. Samples were in 99% d2o buffers. ; _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 AbrB '[U-99% 13C; U-99% 15N]' . . 1 $AbrBN . . . 1.5 2.5 mM . . . . 4281 2 2 KCl . . . . . . . 15 . . mM . . . . 4281 2 3 K-PO . . . . . . . 10 . . mM . . . . 4281 2 4 DTT . . . . . . . 1 . . mM . . . . 4281 2 5 NaN3 . . . . . . . 0.02 . . % . . . . 4281 2 6 D20 . . . . . . . 5 . . % . . . . 4281 2 7 H2O . . . . . . . 95 . . % . . . . 4281 2 stop_ save_ ####################### # Sample conditions # ####################### save_standard_h2o_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_h2o_conditions _Sample_condition_list.Entry_ID 4281 _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 5.8 0.1 pH 4281 1 temperature 305 1 K 4281 1 stop_ save_ save_standard_d2o_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_d2o_conditions _Sample_condition_list.Entry_ID 4281 _Sample_condition_list.ID 2 _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* 5.8 0.1 pH 4281 2 temperature 305 1 K 4281 2 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4281 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . 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 4281 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 4281 _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 Varian INOVA . 600 . . . 4281 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 4281 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY (120mS and 150mS mixing time)' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 2 '1H-13C COESY (120mS and 120mS folded mixing time)' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 3 '3-D HNCA' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 4 '3-D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 5 '3-D HNCO' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 6 '3-D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 7 '3-D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 8 '3-D HNCACB' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 9 'D2O exchange via 2-D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 10 CC-TOCSY-(CO)NH . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 11 H(CC-TOCSY-CO)NH . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4281 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY (120mS and 150mS mixing time)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C COESY (120mS and 120mS folded mixing time)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3-D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3-D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3-D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3-D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3-D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3-D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'D2O exchange via 2-D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CC-TOCSY-(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CC-TOCSY-CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4281 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4281 _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 H 1 H2O protons . . . . ppm . internal direct 1.0 . . . . . . . 2 $ref_1 4281 1 C 13 TMS 'methyl protons' . . . . ppm 0.00 . indirect 0.25144954 . . . . . . . 3 $ref_2 4281 1 N 15 TMS 'methyl protons' . . . . ppm 0.00 . indirect 0.1013291444 . . . . . . . 3 $ref_2 4281 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 4281 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_h2o_conditions _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 $sample_one . 4281 1 . . 2 $sample_two . 4281 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.804 . . 1 . . . . . . . . 4281 1 2 . 1 1 2 2 LYS HB2 H 1 1.601 . . 2 . . . . . . . . 4281 1 3 . 1 1 2 2 LYS HB3 H 1 1.686 . . 2 . . . . . . . . 4281 1 4 . 1 1 2 2 LYS HG2 H 1 1.238 . . 2 . . . . . . . . 4281 1 5 . 1 1 2 2 LYS HG3 H 1 1.599 . . 2 . . . . . . . . 4281 1 6 . 1 1 2 2 LYS HD2 H 1 1.388 . . 1 . . . . . . . . 4281 1 7 . 1 1 2 2 LYS HD3 H 1 1.388 . . 1 . . . . . . . . 4281 1 8 . 1 1 2 2 LYS HE2 H 1 2.882 . . 1 . . . . . . . . 4281 1 9 . 1 1 2 2 LYS HE3 H 1 2.882 . . 1 . . . . . . . . 4281 1 10 . 1 1 2 2 LYS C C 13 177.469 . . 1 . . . . . . . . 4281 1 11 . 1 1 2 2 LYS CA C 13 53.131 . . 1 . . . . . . . . 4281 1 12 . 1 1 2 2 LYS CB C 13 31.740 . . 1 . . . . . . . . 4281 1 13 . 1 1 2 2 LYS CG C 13 26.745 . . 1 . . . . . . . . 4281 1 14 . 1 1 2 2 LYS CD C 13 21.752 . . 1 . . . . . . . . 4281 1 15 . 1 1 2 2 LYS CE C 13 39.322 . . 1 . . . . . . . . 4281 1 16 . 1 1 3 3 SER H H 1 8.760 . . 1 . . . . . . . . 4281 1 17 . 1 1 3 3 SER HA H 1 4.188 . . 1 . . . . . . . . 4281 1 18 . 1 1 3 3 SER HB2 H 1 3.684 . . 2 . . . . . . . . 4281 1 19 . 1 1 3 3 SER HB3 H 1 3.709 . . 2 . . . . . . . . 4281 1 20 . 1 1 3 3 SER C C 13 176.954 . . 1 . . . . . . . . 4281 1 21 . 1 1 3 3 SER CA C 13 55.762 . . 1 . . . . . . . . 4281 1 22 . 1 1 3 3 SER CB C 13 61.034 . . 1 . . . . . . . . 4281 1 23 . 1 1 3 3 SER N N 15 118.691 . . 1 . . . . . . . . 4281 1 24 . 1 1 4 4 THR H H 1 8.263 . . 1 . . . . . . . . 4281 1 25 . 1 1 4 4 THR HA H 1 4.209 . . 1 . . . . . . . . 4281 1 26 . 1 1 4 4 THR HB H 1 4.191 . . 1 . . . . . . . . 4281 1 27 . 1 1 4 4 THR HG21 H 1 1.184 . . 1 . . . . . . . . 4281 1 28 . 1 1 4 4 THR HG22 H 1 1.184 . . 1 . . . . . . . . 4281 1 29 . 1 1 4 4 THR HG23 H 1 1.184 . . 1 . . . . . . . . 4281 1 30 . 1 1 4 4 THR C C 13 177.495 . . 1 . . . . . . . . 4281 1 31 . 1 1 4 4 THR CA C 13 59.898 . . 1 . . . . . . . . 4281 1 32 . 1 1 4 4 THR CB C 13 67.745 . . 1 . . . . . . . . 4281 1 33 . 1 1 4 4 THR CG2 C 13 19.169 . . 1 . . . . . . . . 4281 1 34 . 1 1 4 4 THR N N 15 114.931 . . 1 . . . . . . . . 4281 1 35 . 1 1 5 5 GLY H H 1 8.788 . . 1 . . . . . . . . 4281 1 36 . 1 1 5 5 GLY HA2 H 1 3.883 . . 1 . . . . . . . . 4281 1 37 . 1 1 5 5 GLY HA3 H 1 3.883 . . 1 . . . . . . . . 4281 1 38 . 1 1 5 5 GLY C C 13 174.899 . . 1 . . . . . . . . 4281 1 39 . 1 1 5 5 GLY CA C 13 42.625 . . 1 . . . . . . . . 4281 1 40 . 1 1 5 5 GLY N N 15 111.273 . . 1 . . . . . . . . 4281 1 41 . 1 1 6 6 ILE H H 1 8.380 . . 1 . . . . . . . . 4281 1 42 . 1 1 6 6 ILE HA H 1 4.087 . . 1 . . . . . . . . 4281 1 43 . 1 1 6 6 ILE HB H 1 1.748 . . 1 . . . . . . . . 4281 1 44 . 1 1 6 6 ILE HG12 H 1 1.161 . . 1 . . . . . . . . 4281 1 45 . 1 1 6 6 ILE HG13 H 1 1.460 . . 1 . . . . . . . . 4281 1 46 . 1 1 6 6 ILE HG21 H 1 0.716 . . 1 . . . . . . . . 4281 1 47 . 1 1 6 6 ILE HG22 H 1 0.716 . . 1 . . . . . . . . 4281 1 48 . 1 1 6 6 ILE HG23 H 1 0.716 . . 1 . . . . . . . . 4281 1 49 . 1 1 6 6 ILE HD11 H 1 0.772 . . 1 . . . . . . . . 4281 1 50 . 1 1 6 6 ILE HD12 H 1 0.772 . . 1 . . . . . . . . 4281 1 51 . 1 1 6 6 ILE HD13 H 1 0.772 . . 1 . . . . . . . . 4281 1 52 . 1 1 6 6 ILE C C 13 176.156 . . 1 . . . . . . . . 4281 1 53 . 1 1 6 6 ILE CA C 13 58.435 . . 1 . . . . . . . . 4281 1 54 . 1 1 6 6 ILE CB C 13 36.458 . . 1 . . . . . . . . 4281 1 55 . 1 1 6 6 ILE CG1 C 13 24.465 . . 2 . . . . . . . . 4281 1 56 . 1 1 6 6 ILE CG2 C 13 15.409 . . 1 . . . . . . . . 4281 1 57 . 1 1 6 6 ILE CD1 C 13 10.633 . . 1 . . . . . . . . 4281 1 58 . 1 1 6 6 ILE N N 15 122.181 . . 1 . . . . . . . . 4281 1 59 . 1 1 7 7 VAL H H 1 8.139 . . 1 . . . . . . . . 4281 1 60 . 1 1 7 7 VAL HA H 1 4.906 . . 1 . . . . . . . . 4281 1 61 . 1 1 7 7 VAL HB H 1 1.549 . . 1 . . . . . . . . 4281 1 62 . 1 1 7 7 VAL HG11 H 1 0.239 . . 2 . . . . . . . . 4281 1 63 . 1 1 7 7 VAL HG12 H 1 0.239 . . 2 . . . . . . . . 4281 1 64 . 1 1 7 7 VAL HG13 H 1 0.239 . . 2 . . . . . . . . 4281 1 65 . 1 1 7 7 VAL HG21 H 1 0.361 . . 2 . . . . . . . . 4281 1 66 . 1 1 7 7 VAL HG22 H 1 0.361 . . 2 . . . . . . . . 4281 1 67 . 1 1 7 7 VAL HG23 H 1 0.361 . . 2 . . . . . . . . 4281 1 68 . 1 1 7 7 VAL C C 13 179.027 . . 1 . . . . . . . . 4281 1 69 . 1 1 7 7 VAL CA C 13 58.123 . . 1 . . . . . . . . 4281 1 70 . 1 1 7 7 VAL CB C 13 30.686 . . 1 . . . . . . . . 4281 1 71 . 1 1 7 7 VAL CG1 C 13 17.932 . . 1 . . . . . . . . 4281 1 72 . 1 1 7 7 VAL CG2 C 13 18.964 . . 1 . . . . . . . . 4281 1 73 . 1 1 7 7 VAL N N 15 126.219 . . 1 . . . . . . . . 4281 1 74 . 1 1 8 8 ARG H H 1 9.116 . . 1 . . . . . . . . 4281 1 75 . 1 1 8 8 ARG HA H 1 4.735 . . 1 . . . . . . . . 4281 1 76 . 1 1 8 8 ARG HB2 H 1 1.508 . . 2 . . . . . . . . 4281 1 77 . 1 1 8 8 ARG HB3 H 1 1.971 . . 2 . . . . . . . . 4281 1 78 . 1 1 8 8 ARG HG2 H 1 1.338 . . 2 . . . . . . . . 4281 1 79 . 1 1 8 8 ARG HG3 H 1 1.739 . . 2 . . . . . . . . 4281 1 80 . 1 1 8 8 ARG HD2 H 1 3.184 . . 2 . . . . . . . . 4281 1 81 . 1 1 8 8 ARG HD3 H 1 3.470 . . 2 . . . . . . . . 4281 1 82 . 1 1 8 8 ARG HE H 1 7.120 . . 1 . . . . . . . . 4281 1 83 . 1 1 8 8 ARG C C 13 176.215 . . 1 . . . . . . . . 4281 1 84 . 1 1 8 8 ARG CA C 13 50.296 . . 1 . . . . . . . . 4281 1 85 . 1 1 8 8 ARG CB C 13 32.551 . . 1 . . . . . . . . 4281 1 86 . 1 1 8 8 ARG CG C 13 24.043 . . 1 . . . . . . . . 4281 1 87 . 1 1 8 8 ARG CD C 13 40.464 . . 1 . . . . . . . . 4281 1 88 . 1 1 8 8 ARG N N 15 126.942 . . 1 . . . . . . . . 4281 1 89 . 1 1 8 8 ARG NE N 15 84.500 . . 1 . . . . . . . . 4281 1 90 . 1 1 9 9 LYS H H 1 8.490 . . 1 . . . . . . . . 4281 1 91 . 1 1 9 9 LYS HA H 1 4.876 . . 1 . . . . . . . . 4281 1 92 . 1 1 9 9 LYS HB2 H 1 1.593 . . 1 . . . . . . . . 4281 1 93 . 1 1 9 9 LYS HB3 H 1 1.593 . . 1 . . . . . . . . 4281 1 94 . 1 1 9 9 LYS HG2 H 1 1.370 . . 1 . . . . . . . . 4281 1 95 . 1 1 9 9 LYS HG3 H 1 1.370 . . 1 . . . . . . . . 4281 1 96 . 1 1 9 9 LYS HD2 H 1 1.230 . . 1 . . . . . . . . 4281 1 97 . 1 1 9 9 LYS HD3 H 1 1.230 . . 1 . . . . . . . . 4281 1 98 . 1 1 9 9 LYS HE2 H 1 2.930 . . 1 . . . . . . . . 4281 1 99 . 1 1 9 9 LYS HE3 H 1 2.930 . . 1 . . . . . . . . 4281 1 100 . 1 1 9 9 LYS C C 13 178.309 . . 1 . . . . . . . . 4281 1 101 . 1 1 9 9 LYS CA C 13 52.603 . . 1 . . . . . . . . 4281 1 102 . 1 1 9 9 LYS CB C 13 31.725 . . 1 . . . . . . . . 4281 1 103 . 1 1 9 9 LYS CG C 13 26.530 . . 1 . . . . . . . . 4281 1 104 . 1 1 9 9 LYS CD C 13 22.744 . . 1 . . . . . . . . 4281 1 105 . 1 1 9 9 LYS CE C 13 39.299 . . 1 . . . . . . . . 4281 1 106 . 1 1 9 9 LYS N N 15 119.452 . . 1 . . . . . . . . 4281 1 107 . 1 1 10 10 VAL H H 1 8.304 . . 1 . . . . . . . . 4281 1 108 . 1 1 10 10 VAL HA H 1 4.225 . . 1 . . . . . . . . 4281 1 109 . 1 1 10 10 VAL HB H 1 1.857 . . 1 . . . . . . . . 4281 1 110 . 1 1 10 10 VAL HG11 H 1 0.858 . . 2 . . . . . . . . 4281 1 111 . 1 1 10 10 VAL HG12 H 1 0.858 . . 2 . . . . . . . . 4281 1 112 . 1 1 10 10 VAL HG13 H 1 0.858 . . 2 . . . . . . . . 4281 1 113 . 1 1 10 10 VAL HG21 H 1 0.750 . . 2 . . . . . . . . 4281 1 114 . 1 1 10 10 VAL HG22 H 1 0.750 . . 2 . . . . . . . . 4281 1 115 . 1 1 10 10 VAL HG23 H 1 0.750 . . 2 . . . . . . . . 4281 1 116 . 1 1 10 10 VAL C C 13 176.695 . . 1 . . . . . . . . 4281 1 117 . 1 1 10 10 VAL CA C 13 58.787 . . 1 . . . . . . . . 4281 1 118 . 1 1 10 10 VAL CB C 13 31.761 . . 1 . . . . . . . . 4281 1 119 . 1 1 10 10 VAL CG1 C 13 18.709 . . 1 . . . . . . . . 4281 1 120 . 1 1 10 10 VAL CG2 C 13 18.709 . . 1 . . . . . . . . 4281 1 121 . 1 1 10 10 VAL N N 15 121.420 . . 1 . . . . . . . . 4281 1 122 . 1 1 11 11 ASP H H 1 8.511 . . 1 . . . . . . . . 4281 1 123 . 1 1 11 11 ASP HA H 1 4.737 . . 1 . . . . . . . . 4281 1 124 . 1 1 11 11 ASP HB2 H 1 2.714 . . 2 . . . . . . . . 4281 1 125 . 1 1 11 11 ASP HB3 H 1 3.296 . . 2 . . . . . . . . 4281 1 126 . 1 1 11 11 ASP C C 13 179.483 . . 1 . . . . . . . . 4281 1 127 . 1 1 11 11 ASP CA C 13 50.205 . . 1 . . . . . . . . 4281 1 128 . 1 1 11 11 ASP CB C 13 38.405 . . 1 . . . . . . . . 4281 1 129 . 1 1 11 11 ASP N N 15 127.070 . . 1 . . . . . . . . 4281 1 130 . 1 1 12 12 GLU H H 1 9.425 . . 1 . . . . . . . . 4281 1 131 . 1 1 12 12 GLU HA H 1 4.014 . . 1 . . . . . . . . 4281 1 132 . 1 1 12 12 GLU HB2 H 1 1.990 . . 2 . . . . . . . . 4281 1 133 . 1 1 12 12 GLU HB3 H 1 2.037 . . 2 . . . . . . . . 4281 1 134 . 1 1 12 12 GLU HG2 H 1 2.350 . . 2 . . . . . . . . 4281 1 135 . 1 1 12 12 GLU HG3 H 1 2.293 . . 2 . . . . . . . . 4281 1 136 . 1 1 12 12 GLU C C 13 178.796 . . 1 . . . . . . . . 4281 1 137 . 1 1 12 12 GLU CA C 13 56.485 . . 1 . . . . . . . . 4281 1 138 . 1 1 12 12 GLU CB C 13 25.885 . . 1 . . . . . . . . 4281 1 139 . 1 1 12 12 GLU CG C 13 33.208 . . 1 . . . . . . . . 4281 1 140 . 1 1 12 12 GLU N N 15 116.139 . . 1 . . . . . . . . 4281 1 141 . 1 1 13 13 LEU H H 1 8.225 . . 1 . . . . . . . . 4281 1 142 . 1 1 13 13 LEU HA H 1 4.423 . . 1 . . . . . . . . 4281 1 143 . 1 1 13 13 LEU HB2 H 1 1.450 . . 2 . . . . . . . . 4281 1 144 . 1 1 13 13 LEU HB3 H 1 1.523 . . 2 . . . . . . . . 4281 1 145 . 1 1 13 13 LEU HG H 1 1.496 . . 1 . . . . . . . . 4281 1 146 . 1 1 13 13 LEU HD11 H 1 0.773 . . 2 . . . . . . . . 4281 1 147 . 1 1 13 13 LEU HD12 H 1 0.773 . . 2 . . . . . . . . 4281 1 148 . 1 1 13 13 LEU HD13 H 1 0.773 . . 2 . . . . . . . . 4281 1 149 . 1 1 13 13 LEU HD21 H 1 0.762 . . 2 . . . . . . . . 4281 1 150 . 1 1 13 13 LEU HD22 H 1 0.762 . . 2 . . . . . . . . 4281 1 151 . 1 1 13 13 LEU HD23 H 1 0.762 . . 2 . . . . . . . . 4281 1 152 . 1 1 13 13 LEU C C 13 178.513 . . 1 . . . . . . . . 4281 1 153 . 1 1 13 13 LEU CA C 13 51.578 . . 1 . . . . . . . . 4281 1 154 . 1 1 13 13 LEU CB C 13 39.750 . . 1 . . . . . . . . 4281 1 155 . 1 1 13 13 LEU CG C 13 24.973 . . 1 . . . . . . . . 4281 1 156 . 1 1 13 13 LEU CD1 C 13 21.992 . . 1 . . . . . . . . 4281 1 157 . 1 1 13 13 LEU CD2 C 13 20.445 . . 1 . . . . . . . . 4281 1 158 . 1 1 13 13 LEU N N 15 121.643 . . 1 . . . . . . . . 4281 1 159 . 1 1 14 14 GLY H H 1 8.108 . . 1 . . . . . . . . 4281 1 160 . 1 1 14 14 GLY HA2 H 1 3.200 . . 2 . . . . . . . . 4281 1 161 . 1 1 14 14 GLY HA3 H 1 4.080 . . 2 . . . . . . . . 4281 1 162 . 1 1 14 14 GLY C C 13 178.153 . . 1 . . . . . . . . 4281 1 163 . 1 1 14 14 GLY CA C 13 43.195 . . 1 . . . . . . . . 4281 1 164 . 1 1 14 14 GLY N N 15 107.637 . . 1 . . . . . . . . 4281 1 165 . 1 1 15 15 ARG H H 1 8.398 . . 1 . . . . . . . . 4281 1 166 . 1 1 15 15 ARG HA H 1 5.139 . . 1 . . . . . . . . 4281 1 167 . 1 1 15 15 ARG HB2 H 1 1.170 . . 2 . . . . . . . . 4281 1 168 . 1 1 15 15 ARG HB3 H 1 2.124 . . 2 . . . . . . . . 4281 1 169 . 1 1 15 15 ARG HG2 H 1 1.341 . . 2 . . . . . . . . 4281 1 170 . 1 1 15 15 ARG HG3 H 1 1.510 . . 2 . . . . . . . . 4281 1 171 . 1 1 15 15 ARG HD2 H 1 2.630 . . 2 . . . . . . . . 4281 1 172 . 1 1 15 15 ARG HD3 H 1 3.188 . . 2 . . . . . . . . 4281 1 173 . 1 1 15 15 ARG HE H 1 8.900 . . 1 . . . . . . . . 4281 1 174 . 1 1 15 15 ARG C C 13 178.550 . . 1 . . . . . . . . 4281 1 175 . 1 1 15 15 ARG CA C 13 52.530 . . 1 . . . . . . . . 4281 1 176 . 1 1 15 15 ARG CB C 13 29.354 . . 1 . . . . . . . . 4281 1 177 . 1 1 15 15 ARG CG C 13 24.432 . . 1 . . . . . . . . 4281 1 178 . 1 1 15 15 ARG CD C 13 40.255 . . 1 . . . . . . . . 4281 1 179 . 1 1 15 15 ARG N N 15 117.447 . . 1 . . . . . . . . 4281 1 180 . 1 1 15 15 ARG NE N 15 84.400 . . 1 . . . . . . . . 4281 1 181 . 1 1 16 16 VAL H H 1 8.307 . . 1 . . . . . . . . 4281 1 182 . 1 1 16 16 VAL HA H 1 4.501 . . 1 . . . . . . . . 4281 1 183 . 1 1 16 16 VAL HB H 1 1.602 . . 1 . . . . . . . . 4281 1 184 . 1 1 16 16 VAL HG11 H 1 0.656 . . 2 . . . . . . . . 4281 1 185 . 1 1 16 16 VAL HG12 H 1 0.656 . . 2 . . . . . . . . 4281 1 186 . 1 1 16 16 VAL HG13 H 1 0.656 . . 2 . . . . . . . . 4281 1 187 . 1 1 16 16 VAL HG21 H 1 0.702 . . 2 . . . . . . . . 4281 1 188 . 1 1 16 16 VAL HG22 H 1 0.702 . . 2 . . . . . . . . 4281 1 189 . 1 1 16 16 VAL HG23 H 1 0.702 . . 2 . . . . . . . . 4281 1 190 . 1 1 16 16 VAL C C 13 176.831 . . 1 . . . . . . . . 4281 1 191 . 1 1 16 16 VAL CA C 13 56.432 . . 1 . . . . . . . . 4281 1 192 . 1 1 16 16 VAL CB C 13 33.298 . . 1 . . . . . . . . 4281 1 193 . 1 1 16 16 VAL CG1 C 13 17.156 . . 1 . . . . . . . . 4281 1 194 . 1 1 16 16 VAL CG2 C 13 18.466 . . 1 . . . . . . . . 4281 1 195 . 1 1 16 16 VAL N N 15 117.958 . . 1 . . . . . . . . 4281 1 196 . 1 1 17 17 VAL H H 1 8.079 . . 1 . . . . . . . . 4281 1 197 . 1 1 17 17 VAL HA H 1 3.718 . . 1 . . . . . . . . 4281 1 198 . 1 1 17 17 VAL HB H 1 1.792 . . 1 . . . . . . . . 4281 1 199 . 1 1 17 17 VAL HG11 H 1 0.744 . . 2 . . . . . . . . 4281 1 200 . 1 1 17 17 VAL HG12 H 1 0.744 . . 2 . . . . . . . . 4281 1 201 . 1 1 17 17 VAL HG13 H 1 0.744 . . 2 . . . . . . . . 4281 1 202 . 1 1 17 17 VAL HG21 H 1 0.856 . . 2 . . . . . . . . 4281 1 203 . 1 1 17 17 VAL HG22 H 1 0.856 . . 2 . . . . . . . . 4281 1 204 . 1 1 17 17 VAL HG23 H 1 0.856 . . 2 . . . . . . . . 4281 1 205 . 1 1 17 17 VAL C C 13 178.585 . . 1 . . . . . . . . 4281 1 206 . 1 1 17 17 VAL CA C 13 59.516 . . 1 . . . . . . . . 4281 1 207 . 1 1 17 17 VAL CB C 13 30.068 . . 1 . . . . . . . . 4281 1 208 . 1 1 17 17 VAL CG1 C 13 18.800 . . 1 . . . . . . . . 4281 1 209 . 1 1 17 17 VAL CG2 C 13 19.600 . . 1 . . . . . . . . 4281 1 210 . 1 1 17 17 VAL N N 15 125.478 . . 1 . . . . . . . . 4281 1 211 . 1 1 18 18 ILE H H 1 8.480 . . 1 . . . . . . . . 4281 1 212 . 1 1 18 18 ILE HA H 1 4.236 . . 1 . . . . . . . . 4281 1 213 . 1 1 18 18 ILE HB H 1 1.847 . . 1 . . . . . . . . 4281 1 214 . 1 1 18 18 ILE HG12 H 1 1.175 . . 1 . . . . . . . . 4281 1 215 . 1 1 18 18 ILE HG13 H 1 1.375 . . 1 . . . . . . . . 4281 1 216 . 1 1 18 18 ILE HG21 H 1 0.762 . . 1 . . . . . . . . 4281 1 217 . 1 1 18 18 ILE HG22 H 1 0.762 . . 1 . . . . . . . . 4281 1 218 . 1 1 18 18 ILE HG23 H 1 0.762 . . 1 . . . . . . . . 4281 1 219 . 1 1 18 18 ILE HD11 H 1 0.539 . . 1 . . . . . . . . 4281 1 220 . 1 1 18 18 ILE HD12 H 1 0.539 . . 1 . . . . . . . . 4281 1 221 . 1 1 18 18 ILE HD13 H 1 0.539 . . 1 . . . . . . . . 4281 1 222 . 1 1 18 18 ILE CA C 13 54.641 . . 1 . . . . . . . . 4281 1 223 . 1 1 18 18 ILE CB C 13 34.382 . . 1 . . . . . . . . 4281 1 224 . 1 1 18 18 ILE CG1 C 13 24.100 . . 2 . . . . . . . . 4281 1 225 . 1 1 18 18 ILE CG2 C 13 15.787 . . 1 . . . . . . . . 4281 1 226 . 1 1 18 18 ILE CD1 C 13 9.155 . . 1 . . . . . . . . 4281 1 227 . 1 1 18 18 ILE N N 15 127.200 . . 1 . . . . . . . . 4281 1 228 . 1 1 19 19 PRO HA H 1 4.372 . . 1 . . . . . . . . 4281 1 229 . 1 1 19 19 PRO HB2 H 1 1.837 . . 2 . . . . . . . . 4281 1 230 . 1 1 19 19 PRO HB3 H 1 2.623 . . 2 . . . . . . . . 4281 1 231 . 1 1 19 19 PRO HG2 H 1 1.900 . . 2 . . . . . . . . 4281 1 232 . 1 1 19 19 PRO HG3 H 1 1.947 . . 2 . . . . . . . . 4281 1 233 . 1 1 19 19 PRO HD2 H 1 3.374 . . 1 . . . . . . . . 4281 1 234 . 1 1 19 19 PRO HD3 H 1 3.374 . . 1 . . . . . . . . 4281 1 235 . 1 1 19 19 PRO C C 13 179.797 . . 1 . . . . . . . . 4281 1 236 . 1 1 19 19 PRO CA C 13 60.893 . . 1 . . . . . . . . 4281 1 237 . 1 1 19 19 PRO CB C 13 30.282 . . 1 . . . . . . . . 4281 1 238 . 1 1 19 19 PRO CG C 13 25.287 . . 1 . . . . . . . . 4281 1 239 . 1 1 19 19 PRO CD C 13 48.160 . . 1 . . . . . . . . 4281 1 240 . 1 1 20 20 ILE H H 1 8.941 . . 1 . . . . . . . . 4281 1 241 . 1 1 20 20 ILE HA H 1 3.822 . . 1 . . . . . . . . 4281 1 242 . 1 1 20 20 ILE HB H 1 1.825 . . 1 . . . . . . . . 4281 1 243 . 1 1 20 20 ILE HG12 H 1 1.270 . . 1 . . . . . . . . 4281 1 244 . 1 1 20 20 ILE HG13 H 1 1.270 . . 1 . . . . . . . . 4281 1 245 . 1 1 20 20 ILE HG21 H 1 0.913 . . 1 . . . . . . . . 4281 1 246 . 1 1 20 20 ILE HG22 H 1 0.913 . . 1 . . . . . . . . 4281 1 247 . 1 1 20 20 ILE HG23 H 1 0.913 . . 1 . . . . . . . . 4281 1 248 . 1 1 20 20 ILE HD11 H 1 0.883 . . 1 . . . . . . . . 4281 1 249 . 1 1 20 20 ILE HD12 H 1 0.883 . . 1 . . . . . . . . 4281 1 250 . 1 1 20 20 ILE HD13 H 1 0.883 . . 1 . . . . . . . . 4281 1 251 . 1 1 20 20 ILE C C 13 177.531 . . 1 . . . . . . . . 4281 1 252 . 1 1 20 20 ILE CA C 13 61.126 . . 1 . . . . . . . . 4281 1 253 . 1 1 20 20 ILE CB C 13 35.742 . . 1 . . . . . . . . 4281 1 254 . 1 1 20 20 ILE CG1 C 13 26.839 . . 2 . . . . . . . . 4281 1 255 . 1 1 20 20 ILE CG2 C 13 14.553 . . 1 . . . . . . . . 4281 1 256 . 1 1 20 20 ILE CD1 C 13 11.213 . . 1 . . . . . . . . 4281 1 257 . 1 1 20 20 ILE N N 15 126.938 . . 1 . . . . . . . . 4281 1 258 . 1 1 21 21 GLU H H 1 9.816 . . 1 . . . . . . . . 4281 1 259 . 1 1 21 21 GLU HA H 1 3.964 . . 1 . . . . . . . . 4281 1 260 . 1 1 21 21 GLU HB2 H 1 1.932 . . 1 . . . . . . . . 4281 1 261 . 1 1 21 21 GLU HB3 H 1 1.932 . . 1 . . . . . . . . 4281 1 262 . 1 1 21 21 GLU HG2 H 1 2.221 . . 2 . . . . . . . . 4281 1 263 . 1 1 21 21 GLU HG3 H 1 2.351 . . 2 . . . . . . . . 4281 1 264 . 1 1 21 21 GLU C C 13 180.909 . . 1 . . . . . . . . 4281 1 265 . 1 1 21 21 GLU CA C 13 57.755 . . 1 . . . . . . . . 4281 1 266 . 1 1 21 21 GLU CB C 13 25.764 . . 1 . . . . . . . . 4281 1 267 . 1 1 21 21 GLU CG C 13 33.792 . . 1 . . . . . . . . 4281 1 268 . 1 1 21 21 GLU N N 15 121.405 . . 1 . . . . . . . . 4281 1 269 . 1 1 22 22 LEU H H 1 7.118 . . 1 . . . . . . . . 4281 1 270 . 1 1 22 22 LEU HA H 1 4.216 . . 1 . . . . . . . . 4281 1 271 . 1 1 22 22 LEU HB2 H 1 1.338 . . 2 . . . . . . . . 4281 1 272 . 1 1 22 22 LEU HB3 H 1 1.641 . . 2 . . . . . . . . 4281 1 273 . 1 1 22 22 LEU HG H 1 1.590 . . 1 . . . . . . . . 4281 1 274 . 1 1 22 22 LEU HD11 H 1 0.794 . . 2 . . . . . . . . 4281 1 275 . 1 1 22 22 LEU HD12 H 1 0.794 . . 2 . . . . . . . . 4281 1 276 . 1 1 22 22 LEU HD13 H 1 0.794 . . 2 . . . . . . . . 4281 1 277 . 1 1 22 22 LEU HD21 H 1 0.798 . . 2 . . . . . . . . 4281 1 278 . 1 1 22 22 LEU HD22 H 1 0.798 . . 2 . . . . . . . . 4281 1 279 . 1 1 22 22 LEU HD23 H 1 0.798 . . 2 . . . . . . . . 4281 1 280 . 1 1 22 22 LEU C C 13 180.359 . . 1 . . . . . . . . 4281 1 281 . 1 1 22 22 LEU CA C 13 54.327 . . 1 . . . . . . . . 4281 1 282 . 1 1 22 22 LEU CB C 13 38.701 . . 1 . . . . . . . . 4281 1 283 . 1 1 22 22 LEU CG C 13 25.271 . . 1 . . . . . . . . 4281 1 284 . 1 1 22 22 LEU CD1 C 13 22.772 . . 1 . . . . . . . . 4281 1 285 . 1 1 22 22 LEU CD2 C 13 20.793 . . 1 . . . . . . . . 4281 1 286 . 1 1 22 22 LEU N N 15 117.115 . . 1 . . . . . . . . 4281 1 287 . 1 1 23 23 ARG H H 1 7.568 . . 1 . . . . . . . . 4281 1 288 . 1 1 23 23 ARG HA H 1 3.688 . . 1 . . . . . . . . 4281 1 289 . 1 1 23 23 ARG HB2 H 1 1.970 . . 2 . . . . . . . . 4281 1 290 . 1 1 23 23 ARG HB3 H 1 2.156 . . 2 . . . . . . . . 4281 1 291 . 1 1 23 23 ARG HG2 H 1 1.137 . . 2 . . . . . . . . 4281 1 292 . 1 1 23 23 ARG HG3 H 1 1.564 . . 2 . . . . . . . . 4281 1 293 . 1 1 23 23 ARG HD2 H 1 3.071 . . 2 . . . . . . . . 4281 1 294 . 1 1 23 23 ARG HD3 H 1 3.182 . . 2 . . . . . . . . 4281 1 295 . 1 1 23 23 ARG HE H 1 6.900 . . 1 . . . . . . . . 4281 1 296 . 1 1 23 23 ARG C C 13 180.412 . . 1 . . . . . . . . 4281 1 297 . 1 1 23 23 ARG CA C 13 58.534 . . 1 . . . . . . . . 4281 1 298 . 1 1 23 23 ARG CB C 13 27.100 . . 1 . . . . . . . . 4281 1 299 . 1 1 23 23 ARG CG C 13 26.754 . . 1 . . . . . . . . 4281 1 300 . 1 1 23 23 ARG CD C 13 40.998 . . 1 . . . . . . . . 4281 1 301 . 1 1 23 23 ARG N N 15 117.465 . . 1 . . . . . . . . 4281 1 302 . 1 1 23 23 ARG NE N 15 81.900 . . 1 . . . . . . . . 4281 1 303 . 1 1 24 24 ARG H H 1 8.690 . . 1 . . . . . . . . 4281 1 304 . 1 1 24 24 ARG HA H 1 4.074 . . 1 . . . . . . . . 4281 1 305 . 1 1 24 24 ARG HB2 H 1 1.808 . . 1 . . . . . . . . 4281 1 306 . 1 1 24 24 ARG HB3 H 1 1.808 . . 1 . . . . . . . . 4281 1 307 . 1 1 24 24 ARG HG2 H 1 1.600 . . 2 . . . . . . . . 4281 1 308 . 1 1 24 24 ARG HG3 H 1 1.701 . . 2 . . . . . . . . 4281 1 309 . 1 1 24 24 ARG HD2 H 1 3.107 . . 1 . . . . . . . . 4281 1 310 . 1 1 24 24 ARG HD3 H 1 3.107 . . 1 . . . . . . . . 4281 1 311 . 1 1 24 24 ARG HE H 1 7.200 . . 1 . . . . . . . . 4281 1 312 . 1 1 24 24 ARG C C 13 181.607 . . 1 . . . . . . . . 4281 1 313 . 1 1 24 24 ARG CA C 13 56.713 . . 1 . . . . . . . . 4281 1 314 . 1 1 24 24 ARG CB C 13 27.364 . . 1 . . . . . . . . 4281 1 315 . 1 1 24 24 ARG CG C 13 24.836 . . 1 . . . . . . . . 4281 1 316 . 1 1 24 24 ARG CD C 13 40.780 . . 1 . . . . . . . . 4281 1 317 . 1 1 24 24 ARG N N 15 117.593 . . 1 . . . . . . . . 4281 1 318 . 1 1 24 24 ARG NE N 15 84.400 . . 1 . . . . . . . . 4281 1 319 . 1 1 25 25 THR H H 1 7.588 . . 1 . . . . . . . . 4281 1 320 . 1 1 25 25 THR HA H 1 3.964 . . 1 . . . . . . . . 4281 1 321 . 1 1 25 25 THR HB H 1 4.201 . . 1 . . . . . . . . 4281 1 322 . 1 1 25 25 THR HG21 H 1 1.256 . . 1 . . . . . . . . 4281 1 323 . 1 1 25 25 THR HG22 H 1 1.256 . . 1 . . . . . . . . 4281 1 324 . 1 1 25 25 THR HG23 H 1 1.256 . . 1 . . . . . . . . 4281 1 325 . 1 1 25 25 THR C C 13 177.169 . . 1 . . . . . . . . 4281 1 326 . 1 1 25 25 THR CA C 13 63.621 . . 1 . . . . . . . . 4281 1 327 . 1 1 25 25 THR CB C 13 66.370 . . 1 . . . . . . . . 4281 1 328 . 1 1 25 25 THR CG2 C 13 19.024 . . 1 . . . . . . . . 4281 1 329 . 1 1 25 25 THR N N 15 115.278 . . 1 . . . . . . . . 4281 1 330 . 1 1 26 26 LEU H H 1 7.387 . . 1 . . . . . . . . 4281 1 331 . 1 1 26 26 LEU HA H 1 4.369 . . 1 . . . . . . . . 4281 1 332 . 1 1 26 26 LEU HB2 H 1 1.531 . . 2 . . . . . . . . 4281 1 333 . 1 1 26 26 LEU HB3 H 1 1.626 . . 2 . . . . . . . . 4281 1 334 . 1 1 26 26 LEU HG H 1 1.650 . . 1 . . . . . . . . 4281 1 335 . 1 1 26 26 LEU HD11 H 1 0.751 . . 2 . . . . . . . . 4281 1 336 . 1 1 26 26 LEU HD12 H 1 0.751 . . 2 . . . . . . . . 4281 1 337 . 1 1 26 26 LEU HD13 H 1 0.751 . . 2 . . . . . . . . 4281 1 338 . 1 1 26 26 LEU HD21 H 1 0.761 . . 2 . . . . . . . . 4281 1 339 . 1 1 26 26 LEU HD22 H 1 0.761 . . 2 . . . . . . . . 4281 1 340 . 1 1 26 26 LEU HD23 H 1 0.761 . . 2 . . . . . . . . 4281 1 341 . 1 1 26 26 LEU C C 13 178.712 . . 1 . . . . . . . . 4281 1 342 . 1 1 26 26 LEU CA C 13 52.271 . . 1 . . . . . . . . 4281 1 343 . 1 1 26 26 LEU CB C 13 40.387 . . 1 . . . . . . . . 4281 1 344 . 1 1 26 26 LEU CG C 13 25.213 . . 1 . . . . . . . . 4281 1 345 . 1 1 26 26 LEU CD1 C 13 22.840 . . 1 . . . . . . . . 4281 1 346 . 1 1 26 26 LEU CD2 C 13 20.496 . . 1 . . . . . . . . 4281 1 347 . 1 1 26 26 LEU N N 15 118.354 . . 1 . . . . . . . . 4281 1 348 . 1 1 27 27 GLY H H 1 7.695 . . 1 . . . . . . . . 4281 1 349 . 1 1 27 27 GLY HA2 H 1 3.826 . . 2 . . . . . . . . 4281 1 350 . 1 1 27 27 GLY HA3 H 1 3.870 . . 2 . . . . . . . . 4281 1 351 . 1 1 27 27 GLY C C 13 176.181 . . 1 . . . . . . . . 4281 1 352 . 1 1 27 27 GLY CA C 13 44.512 . . 1 . . . . . . . . 4281 1 353 . 1 1 27 27 GLY N N 15 109.556 . . 1 . . . . . . . . 4281 1 354 . 1 1 28 28 ILE H H 1 8.174 . . 1 . . . . . . . . 4281 1 355 . 1 1 28 28 ILE HA H 1 4.179 . . 1 . . . . . . . . 4281 1 356 . 1 1 28 28 ILE HB H 1 1.499 . . 1 . . . . . . . . 4281 1 357 . 1 1 28 28 ILE HG12 H 1 1.504 . . 1 . . . . . . . . 4281 1 358 . 1 1 28 28 ILE HG13 H 1 1.504 . . 1 . . . . . . . . 4281 1 359 . 1 1 28 28 ILE HG21 H 1 0.790 . . 1 . . . . . . . . 4281 1 360 . 1 1 28 28 ILE HG22 H 1 0.790 . . 1 . . . . . . . . 4281 1 361 . 1 1 28 28 ILE HG23 H 1 0.790 . . 1 . . . . . . . . 4281 1 362 . 1 1 28 28 ILE HD11 H 1 0.741 . . 1 . . . . . . . . 4281 1 363 . 1 1 28 28 ILE HD12 H 1 0.741 . . 1 . . . . . . . . 4281 1 364 . 1 1 28 28 ILE HD13 H 1 0.741 . . 1 . . . . . . . . 4281 1 365 . 1 1 28 28 ILE C C 13 176.039 . . 1 . . . . . . . . 4281 1 366 . 1 1 28 28 ILE CA C 13 58.022 . . 1 . . . . . . . . 4281 1 367 . 1 1 28 28 ILE CB C 13 36.346 . . 1 . . . . . . . . 4281 1 368 . 1 1 28 28 ILE CG1 C 13 24.808 . . 2 . . . . . . . . 4281 1 369 . 1 1 28 28 ILE CG2 C 13 15.553 . . 1 . . . . . . . . 4281 1 370 . 1 1 28 28 ILE CD1 C 13 11.199 . . 1 . . . . . . . . 4281 1 371 . 1 1 28 28 ILE N N 15 119.528 . . 1 . . . . . . . . 4281 1 372 . 1 1 29 29 ALA H H 1 9.472 . . 1 . . . . . . . . 4281 1 373 . 1 1 29 29 ALA HA H 1 4.431 . . 1 . . . . . . . . 4281 1 374 . 1 1 29 29 ALA HB1 H 1 1.349 . . 1 . . . . . . . . 4281 1 375 . 1 1 29 29 ALA HB2 H 1 1.349 . . 1 . . . . . . . . 4281 1 376 . 1 1 29 29 ALA HB3 H 1 1.349 . . 1 . . . . . . . . 4281 1 377 . 1 1 29 29 ALA C C 13 178.860 . . 1 . . . . . . . . 4281 1 378 . 1 1 29 29 ALA CA C 13 47.833 . . 1 . . . . . . . . 4281 1 379 . 1 1 29 29 ALA CB C 13 18.659 . . 1 . . . . . . . . 4281 1 380 . 1 1 29 29 ALA N N 15 110.840 . . 1 . . . . . . . . 4281 1 381 . 1 1 30 30 GLU H H 1 8.584 . . 1 . . . . . . . . 4281 1 382 . 1 1 30 30 GLU HA H 1 3.698 . . 1 . . . . . . . . 4281 1 383 . 1 1 30 30 GLU HB2 H 1 1.861 . . 2 . . . . . . . . 4281 1 384 . 1 1 30 30 GLU HB3 H 1 1.942 . . 2 . . . . . . . . 4281 1 385 . 1 1 30 30 GLU HG2 H 1 2.097 . . 2 . . . . . . . . 4281 1 386 . 1 1 30 30 GLU HG3 H 1 2.294 . . 2 . . . . . . . . 4281 1 387 . 1 1 30 30 GLU C C 13 178.852 . . 1 . . . . . . . . 4281 1 388 . 1 1 30 30 GLU CA C 13 56.753 . . 1 . . . . . . . . 4281 1 389 . 1 1 30 30 GLU CB C 13 26.634 . . 1 . . . . . . . . 4281 1 390 . 1 1 30 30 GLU CG C 13 33.700 . . 1 . . . . . . . . 4281 1 391 . 1 1 30 30 GLU N N 15 119.415 . . 1 . . . . . . . . 4281 1 392 . 1 1 31 31 LYS H H 1 8.222 . . 1 . . . . . . . . 4281 1 393 . 1 1 31 31 LYS HA H 1 4.107 . . 1 . . . . . . . . 4281 1 394 . 1 1 31 31 LYS HB2 H 1 1.980 . . 2 . . . . . . . . 4281 1 395 . 1 1 31 31 LYS HB3 H 1 2.104 . . 2 . . . . . . . . 4281 1 396 . 1 1 31 31 LYS HG2 H 1 1.607 . . 2 . . . . . . . . 4281 1 397 . 1 1 31 31 LYS HG3 H 1 1.690 . . 2 . . . . . . . . 4281 1 398 . 1 1 31 31 LYS HD2 H 1 1.351 . . 1 . . . . . . . . 4281 1 399 . 1 1 31 31 LYS HD3 H 1 1.351 . . 1 . . . . . . . . 4281 1 400 . 1 1 31 31 LYS HE2 H 1 2.923 . . 1 . . . . . . . . 4281 1 401 . 1 1 31 31 LYS HE3 H 1 2.923 . . 1 . . . . . . . . 4281 1 402 . 1 1 31 31 LYS C C 13 177.609 . . 1 . . . . . . . . 4281 1 403 . 1 1 31 31 LYS CA C 13 55.551 . . 1 . . . . . . . . 4281 1 404 . 1 1 31 31 LYS CB C 13 28.132 . . 1 . . . . . . . . 4281 1 405 . 1 1 31 31 LYS CG C 13 26.520 . . 1 . . . . . . . . 4281 1 406 . 1 1 31 31 LYS CD C 13 22.985 . . 1 . . . . . . . . 4281 1 407 . 1 1 31 31 LYS CE C 13 30.477 . . 1 . . . . . . . . 4281 1 408 . 1 1 31 31 LYS N N 15 115.560 . . 1 . . . . . . . . 4281 1 409 . 1 1 32 32 ASP H H 1 7.781 . . 1 . . . . . . . . 4281 1 410 . 1 1 32 32 ASP HA H 1 4.623 . . 1 . . . . . . . . 4281 1 411 . 1 1 32 32 ASP HB2 H 1 2.483 . . 2 . . . . . . . . 4281 1 412 . 1 1 32 32 ASP HB3 H 1 2.950 . . 2 . . . . . . . . 4281 1 413 . 1 1 32 32 ASP C C 13 176.706 . . 1 . . . . . . . . 4281 1 414 . 1 1 32 32 ASP CA C 13 52.790 . . 1 . . . . . . . . 4281 1 415 . 1 1 32 32 ASP CB C 13 39.124 . . 1 . . . . . . . . 4281 1 416 . 1 1 32 32 ASP N N 15 119.951 . . 1 . . . . . . . . 4281 1 417 . 1 1 33 33 ALA H H 1 8.548 . . 1 . . . . . . . . 4281 1 418 . 1 1 33 33 ALA HA H 1 4.621 . . 1 . . . . . . . . 4281 1 419 . 1 1 33 33 ALA HB1 H 1 1.299 . . 1 . . . . . . . . 4281 1 420 . 1 1 33 33 ALA HB2 H 1 1.299 . . 1 . . . . . . . . 4281 1 421 . 1 1 33 33 ALA HB3 H 1 1.299 . . 1 . . . . . . . . 4281 1 422 . 1 1 33 33 ALA C C 13 177.831 . . 1 . . . . . . . . 4281 1 423 . 1 1 33 33 ALA CA C 13 48.426 . . 1 . . . . . . . . 4281 1 424 . 1 1 33 33 ALA CB C 13 18.138 . . 1 . . . . . . . . 4281 1 425 . 1 1 33 33 ALA N N 15 121.496 . . 1 . . . . . . . . 4281 1 426 . 1 1 34 34 LEU H H 1 9.016 . . 1 . . . . . . . . 4281 1 427 . 1 1 34 34 LEU HA H 1 5.015 . . 1 . . . . . . . . 4281 1 428 . 1 1 34 34 LEU HB2 H 1 1.170 . . 2 . . . . . . . . 4281 1 429 . 1 1 34 34 LEU HB3 H 1 1.570 . . 2 . . . . . . . . 4281 1 430 . 1 1 34 34 LEU HG H 1 1.600 . . 1 . . . . . . . . 4281 1 431 . 1 1 34 34 LEU HD11 H 1 0.636 . . 2 . . . . . . . . 4281 1 432 . 1 1 34 34 LEU HD12 H 1 0.636 . . 2 . . . . . . . . 4281 1 433 . 1 1 34 34 LEU HD13 H 1 0.636 . . 2 . . . . . . . . 4281 1 434 . 1 1 34 34 LEU HD21 H 1 0.640 . . 2 . . . . . . . . 4281 1 435 . 1 1 34 34 LEU HD22 H 1 0.640 . . 2 . . . . . . . . 4281 1 436 . 1 1 34 34 LEU HD23 H 1 0.640 . . 2 . . . . . . . . 4281 1 437 . 1 1 34 34 LEU C C 13 176.432 . . 1 . . . . . . . . 4281 1 438 . 1 1 34 34 LEU CA C 13 50.509 . . 1 . . . . . . . . 4281 1 439 . 1 1 34 34 LEU CB C 13 41.318 . . 1 . . . . . . . . 4281 1 440 . 1 1 34 34 LEU CG C 13 24.093 . . 1 . . . . . . . . 4281 1 441 . 1 1 34 34 LEU CD1 C 13 24.100 . . 1 . . . . . . . . 4281 1 442 . 1 1 34 34 LEU CD2 C 13 20.607 . . 1 . . . . . . . . 4281 1 443 . 1 1 34 34 LEU N N 15 121.358 . . 1 . . . . . . . . 4281 1 444 . 1 1 35 35 GLU H H 1 9.428 . . 1 . . . . . . . . 4281 1 445 . 1 1 35 35 GLU HA H 1 4.743 . . 1 . . . . . . . . 4281 1 446 . 1 1 35 35 GLU HB2 H 1 1.841 . . 2 . . . . . . . . 4281 1 447 . 1 1 35 35 GLU HB3 H 1 2.060 . . 2 . . . . . . . . 4281 1 448 . 1 1 35 35 GLU HG2 H 1 1.972 . . 1 . . . . . . . . 4281 1 449 . 1 1 35 35 GLU HG3 H 1 1.972 . . 1 . . . . . . . . 4281 1 450 . 1 1 35 35 GLU C C 13 177.033 . . 1 . . . . . . . . 4281 1 451 . 1 1 35 35 GLU CA C 13 52.469 . . 1 . . . . . . . . 4281 1 452 . 1 1 35 35 GLU CB C 13 29.790 . . 1 . . . . . . . . 4281 1 453 . 1 1 35 35 GLU CG C 13 33.631 . . 1 . . . . . . . . 4281 1 454 . 1 1 35 35 GLU N N 15 123.379 . . 1 . . . . . . . . 4281 1 455 . 1 1 36 36 ILE H H 1 8.373 . . 1 . . . . . . . . 4281 1 456 . 1 1 36 36 ILE HA H 1 5.107 . . 1 . . . . . . . . 4281 1 457 . 1 1 36 36 ILE HB H 1 1.601 . . 1 . . . . . . . . 4281 1 458 . 1 1 36 36 ILE HG12 H 1 1.606 . . 1 . . . . . . . . 4281 1 459 . 1 1 36 36 ILE HG13 H 1 1.606 . . 1 . . . . . . . . 4281 1 460 . 1 1 36 36 ILE HG21 H 1 0.638 . . 1 . . . . . . . . 4281 1 461 . 1 1 36 36 ILE HG22 H 1 0.638 . . 1 . . . . . . . . 4281 1 462 . 1 1 36 36 ILE HG23 H 1 0.638 . . 1 . . . . . . . . 4281 1 463 . 1 1 36 36 ILE HD11 H 1 0.689 . . 1 . . . . . . . . 4281 1 464 . 1 1 36 36 ILE HD12 H 1 0.689 . . 1 . . . . . . . . 4281 1 465 . 1 1 36 36 ILE HD13 H 1 0.689 . . 1 . . . . . . . . 4281 1 466 . 1 1 36 36 ILE C C 13 177.525 . . 1 . . . . . . . . 4281 1 467 . 1 1 36 36 ILE CA C 13 58.390 . . 1 . . . . . . . . 4281 1 468 . 1 1 36 36 ILE CB C 13 36.419 . . 1 . . . . . . . . 4281 1 469 . 1 1 36 36 ILE CG1 C 13 36.100 . . 2 . . . . . . . . 4281 1 470 . 1 1 36 36 ILE CG2 C 13 11.349 . . 1 . . . . . . . . 4281 1 471 . 1 1 36 36 ILE CD1 C 13 15.041 . . 1 . . . . . . . . 4281 1 472 . 1 1 36 36 ILE N N 15 122.969 . . 1 . . . . . . . . 4281 1 473 . 1 1 37 37 TYR H H 1 9.590 . . 1 . . . . . . . . 4281 1 474 . 1 1 37 37 TYR HA H 1 5.045 . . 1 . . . . . . . . 4281 1 475 . 1 1 37 37 TYR HB2 H 1 2.858 . . 2 . . . . . . . . 4281 1 476 . 1 1 37 37 TYR HB3 H 1 2.963 . . 2 . . . . . . . . 4281 1 477 . 1 1 37 37 TYR C C 13 175.168 . . 1 . . . . . . . . 4281 1 478 . 1 1 37 37 TYR CA C 13 53.646 . . 1 . . . . . . . . 4281 1 479 . 1 1 37 37 TYR CB C 13 38.447 . . 1 . . . . . . . . 4281 1 480 . 1 1 37 37 TYR N N 15 127.104 . . 1 . . . . . . . . 4281 1 481 . 1 1 38 38 VAL H H 1 8.680 . . 1 . . . . . . . . 4281 1 482 . 1 1 38 38 VAL HA H 1 5.053 . . 1 . . . . . . . . 4281 1 483 . 1 1 38 38 VAL HB H 1 1.949 . . 1 . . . . . . . . 4281 1 484 . 1 1 38 38 VAL HG11 H 1 0.904 . . 2 . . . . . . . . 4281 1 485 . 1 1 38 38 VAL HG12 H 1 0.904 . . 2 . . . . . . . . 4281 1 486 . 1 1 38 38 VAL HG13 H 1 0.904 . . 2 . . . . . . . . 4281 1 487 . 1 1 38 38 VAL HG21 H 1 0.900 . . 2 . . . . . . . . 4281 1 488 . 1 1 38 38 VAL HG22 H 1 0.900 . . 2 . . . . . . . . 4281 1 489 . 1 1 38 38 VAL HG23 H 1 0.900 . . 2 . . . . . . . . 4281 1 490 . 1 1 38 38 VAL C C 13 176.831 . . 1 . . . . . . . . 4281 1 491 . 1 1 38 38 VAL CA C 13 57.599 . . 1 . . . . . . . . 4281 1 492 . 1 1 38 38 VAL CB C 13 32.467 . . 1 . . . . . . . . 4281 1 493 . 1 1 38 38 VAL CG1 C 13 19.038 . . 1 . . . . . . . . 4281 1 494 . 1 1 38 38 VAL CG2 C 13 19.038 . . 1 . . . . . . . . 4281 1 495 . 1 1 38 38 VAL N N 15 116.566 . . 1 . . . . . . . . 4281 1 496 . 1 1 39 39 ASP H H 1 8.535 . . 1 . . . . . . . . 4281 1 497 . 1 1 39 39 ASP HA H 1 4.759 . . 1 . . . . . . . . 4281 1 498 . 1 1 39 39 ASP HB2 H 1 2.551 . . 1 . . . . . . . . 4281 1 499 . 1 1 39 39 ASP HB3 H 1 2.551 . . 1 . . . . . . . . 4281 1 500 . 1 1 39 39 ASP C C 13 176.951 . . 1 . . . . . . . . 4281 1 501 . 1 1 39 39 ASP CA C 13 51.041 . . 1 . . . . . . . . 4281 1 502 . 1 1 39 39 ASP CB C 13 41.147 . . 1 . . . . . . . . 4281 1 503 . 1 1 39 39 ASP N N 15 125.422 . . 1 . . . . . . . . 4281 1 504 . 1 1 40 40 ASP H H 1 8.822 . . 1 . . . . . . . . 4281 1 505 . 1 1 40 40 ASP HA H 1 4.141 . . 1 . . . . . . . . 4281 1 506 . 1 1 40 40 ASP HB2 H 1 2.618 . . 2 . . . . . . . . 4281 1 507 . 1 1 40 40 ASP HB3 H 1 2.816 . . 2 . . . . . . . . 4281 1 508 . 1 1 40 40 ASP C C 13 177.469 . . 1 . . . . . . . . 4281 1 509 . 1 1 40 40 ASP CA C 13 54.063 . . 1 . . . . . . . . 4281 1 510 . 1 1 40 40 ASP CB C 13 36.974 . . 1 . . . . . . . . 4281 1 511 . 1 1 40 40 ASP N N 15 123.683 . . 1 . . . . . . . . 4281 1 512 . 1 1 41 41 GLU H H 1 8.831 . . 1 . . . . . . . . 4281 1 513 . 1 1 41 41 GLU HA H 1 4.205 . . 1 . . . . . . . . 4281 1 514 . 1 1 41 41 GLU HB2 H 1 2.134 . . 2 . . . . . . . . 4281 1 515 . 1 1 41 41 GLU HB3 H 1 2.194 . . 2 . . . . . . . . 4281 1 516 . 1 1 41 41 GLU HG2 H 1 2.138 . . 1 . . . . . . . . 4281 1 517 . 1 1 41 41 GLU HG3 H 1 2.138 . . 1 . . . . . . . . 4281 1 518 . 1 1 41 41 GLU C C 13 176.031 . . 1 . . . . . . . . 4281 1 519 . 1 1 41 41 GLU CA C 13 54.221 . . 1 . . . . . . . . 4281 1 520 . 1 1 41 41 GLU CB C 13 26.629 . . 1 . . . . . . . . 4281 1 521 . 1 1 41 41 GLU CG C 13 33.943 . . 1 . . . . . . . . 4281 1 522 . 1 1 41 41 GLU N N 15 118.692 . . 1 . . . . . . . . 4281 1 523 . 1 1 42 42 LYS H H 1 8.004 . . 1 . . . . . . . . 4281 1 524 . 1 1 42 42 LYS HA H 1 4.739 . . 1 . . . . . . . . 4281 1 525 . 1 1 42 42 LYS HB2 H 1 1.508 . . 2 . . . . . . . . 4281 1 526 . 1 1 42 42 LYS HB3 H 1 1.975 . . 2 . . . . . . . . 4281 1 527 . 1 1 42 42 LYS HG2 H 1 1.600 . . 1 . . . . . . . . 4281 1 528 . 1 1 42 42 LYS HG3 H 1 1.600 . . 1 . . . . . . . . 4281 1 529 . 1 1 42 42 LYS HD2 H 1 1.333 . . 1 . . . . . . . . 4281 1 530 . 1 1 42 42 LYS HD3 H 1 1.333 . . 1 . . . . . . . . 4281 1 531 . 1 1 42 42 LYS HE2 H 1 2.901 . . 1 . . . . . . . . 4281 1 532 . 1 1 42 42 LYS HE3 H 1 2.901 . . 1 . . . . . . . . 4281 1 533 . 1 1 42 42 LYS C C 13 176.537 . . 1 . . . . . . . . 4281 1 534 . 1 1 42 42 LYS CA C 13 52.523 . . 1 . . . . . . . . 4281 1 535 . 1 1 42 42 LYS CB C 13 32.017 . . 1 . . . . . . . . 4281 1 536 . 1 1 42 42 LYS CG C 13 26.544 . . 1 . . . . . . . . 4281 1 537 . 1 1 42 42 LYS CD C 13 21.199 . . 1 . . . . . . . . 4281 1 538 . 1 1 42 42 LYS CE C 13 38.659 . . 1 . . . . . . . . 4281 1 539 . 1 1 42 42 LYS N N 15 118.263 . . 1 . . . . . . . . 4281 1 540 . 1 1 43 43 ILE H H 1 8.616 . . 1 . . . . . . . . 4281 1 541 . 1 1 43 43 ILE HA H 1 4.383 . . 1 . . . . . . . . 4281 1 542 . 1 1 43 43 ILE HB H 1 1.607 . . 1 . . . . . . . . 4281 1 543 . 1 1 43 43 ILE HG12 H 1 1.600 . . 1 . . . . . . . . 4281 1 544 . 1 1 43 43 ILE HG13 H 1 1.600 . . 1 . . . . . . . . 4281 1 545 . 1 1 43 43 ILE HG21 H 1 0.711 . . 1 . . . . . . . . 4281 1 546 . 1 1 43 43 ILE HG22 H 1 0.711 . . 1 . . . . . . . . 4281 1 547 . 1 1 43 43 ILE HG23 H 1 0.711 . . 1 . . . . . . . . 4281 1 548 . 1 1 43 43 ILE HD11 H 1 0.577 . . 1 . . . . . . . . 4281 1 549 . 1 1 43 43 ILE HD12 H 1 0.577 . . 1 . . . . . . . . 4281 1 550 . 1 1 43 43 ILE HD13 H 1 0.577 . . 1 . . . . . . . . 4281 1 551 . 1 1 43 43 ILE C C 13 175.446 . . 1 . . . . . . . . 4281 1 552 . 1 1 43 43 ILE CA C 13 58.085 . . 1 . . . . . . . . 4281 1 553 . 1 1 43 43 ILE CB C 13 36.755 . . 1 . . . . . . . . 4281 1 554 . 1 1 43 43 ILE CG1 C 13 25.526 . . 2 . . . . . . . . 4281 1 555 . 1 1 43 43 ILE CG2 C 13 15.358 . . 1 . . . . . . . . 4281 1 556 . 1 1 43 43 ILE CD1 C 13 11.171 . . 1 . . . . . . . . 4281 1 557 . 1 1 43 43 ILE N N 15 120.141 . . 1 . . . . . . . . 4281 1 558 . 1 1 44 44 ILE H H 1 8.988 . . 1 . . . . . . . . 4281 1 559 . 1 1 44 44 ILE HA H 1 4.795 . . 1 . . . . . . . . 4281 1 560 . 1 1 44 44 ILE HB H 1 1.040 . . 1 . . . . . . . . 4281 1 561 . 1 1 44 44 ILE HG12 H 1 0.985 . . 1 . . . . . . . . 4281 1 562 . 1 1 44 44 ILE HG13 H 1 1.182 . . 1 . . . . . . . . 4281 1 563 . 1 1 44 44 ILE HG21 H 1 0.624 . . 1 . . . . . . . . 4281 1 564 . 1 1 44 44 ILE HG22 H 1 0.624 . . 1 . . . . . . . . 4281 1 565 . 1 1 44 44 ILE HG23 H 1 0.624 . . 1 . . . . . . . . 4281 1 566 . 1 1 44 44 ILE HD11 H 1 0.663 . . 1 . . . . . . . . 4281 1 567 . 1 1 44 44 ILE HD12 H 1 0.663 . . 1 . . . . . . . . 4281 1 568 . 1 1 44 44 ILE HD13 H 1 0.663 . . 1 . . . . . . . . 4281 1 569 . 1 1 44 44 ILE C C 13 175.966 . . 1 . . . . . . . . 4281 1 570 . 1 1 44 44 ILE CA C 13 57.042 . . 1 . . . . . . . . 4281 1 571 . 1 1 44 44 ILE CB C 13 37.072 . . 1 . . . . . . . . 4281 1 572 . 1 1 44 44 ILE CG1 C 13 26.337 . . 2 . . . . . . . . 4281 1 573 . 1 1 44 44 ILE CG2 C 13 16.300 . . 1 . . . . . . . . 4281 1 574 . 1 1 44 44 ILE CD1 C 13 12.076 . . 1 . . . . . . . . 4281 1 575 . 1 1 44 44 ILE N N 15 127.837 . . 1 . . . . . . . . 4281 1 576 . 1 1 45 45 LEU H H 1 9.420 . . 1 . . . . . . . . 4281 1 577 . 1 1 45 45 LEU HA H 1 5.401 . . 1 . . . . . . . . 4281 1 578 . 1 1 45 45 LEU HB2 H 1 1.166 . . 2 . . . . . . . . 4281 1 579 . 1 1 45 45 LEU HB3 H 1 1.680 . . 2 . . . . . . . . 4281 1 580 . 1 1 45 45 LEU HG H 1 1.554 . . 1 . . . . . . . . 4281 1 581 . 1 1 45 45 LEU HD11 H 1 0.630 . . 2 . . . . . . . . 4281 1 582 . 1 1 45 45 LEU HD12 H 1 0.630 . . 2 . . . . . . . . 4281 1 583 . 1 1 45 45 LEU HD13 H 1 0.630 . . 2 . . . . . . . . 4281 1 584 . 1 1 45 45 LEU HD21 H 1 0.610 . . 2 . . . . . . . . 4281 1 585 . 1 1 45 45 LEU HD22 H 1 0.610 . . 2 . . . . . . . . 4281 1 586 . 1 1 45 45 LEU HD23 H 1 0.610 . . 2 . . . . . . . . 4281 1 587 . 1 1 45 45 LEU C C 13 177.356 . . 1 . . . . . . . . 4281 1 588 . 1 1 45 45 LEU CA C 13 50.779 . . 1 . . . . . . . . 4281 1 589 . 1 1 45 45 LEU CB C 13 41.538 . . 1 . . . . . . . . 4281 1 590 . 1 1 45 45 LEU CG C 13 25.300 . . 1 . . . . . . . . 4281 1 591 . 1 1 45 45 LEU CD1 C 13 23.400 . . 1 . . . . . . . . 4281 1 592 . 1 1 45 45 LEU CD2 C 13 23.400 . . 1 . . . . . . . . 4281 1 593 . 1 1 45 45 LEU N N 15 124.494 . . 1 . . . . . . . . 4281 1 594 . 1 1 46 46 LYS H H 1 8.613 . . 1 . . . . . . . . 4281 1 595 . 1 1 46 46 LYS HA H 1 4.776 . . 1 . . . . . . . . 4281 1 596 . 1 1 46 46 LYS HB2 H 1 1.725 . . 2 . . . . . . . . 4281 1 597 . 1 1 46 46 LYS HB3 H 1 1.895 . . 2 . . . . . . . . 4281 1 598 . 1 1 46 46 LYS HG2 H 1 1.360 . . 1 . . . . . . . . 4281 1 599 . 1 1 46 46 LYS HG3 H 1 1.360 . . 1 . . . . . . . . 4281 1 600 . 1 1 46 46 LYS HD2 H 1 1.501 . . 1 . . . . . . . . 4281 1 601 . 1 1 46 46 LYS HD3 H 1 1.501 . . 1 . . . . . . . . 4281 1 602 . 1 1 46 46 LYS HE2 H 1 2.853 . . 1 . . . . . . . . 4281 1 603 . 1 1 46 46 LYS HE3 H 1 2.853 . . 1 . . . . . . . . 4281 1 604 . 1 1 46 46 LYS C C 13 176.922 . . 1 . . . . . . . . 4281 1 605 . 1 1 46 46 LYS CA C 13 51.500 . . 1 . . . . . . . . 4281 1 606 . 1 1 46 46 LYS CB C 13 34.200 . . 1 . . . . . . . . 4281 1 607 . 1 1 46 46 LYS CG C 13 26.950 . . 1 . . . . . . . . 4281 1 608 . 1 1 46 46 LYS CD C 13 21.596 . . 1 . . . . . . . . 4281 1 609 . 1 1 46 46 LYS CE C 13 38.959 . . 1 . . . . . . . . 4281 1 610 . 1 1 46 46 LYS N N 15 118.620 . . 1 . . . . . . . . 4281 1 611 . 1 1 47 47 LYS H H 1 9.253 . . 1 . . . . . . . . 4281 1 612 . 1 1 47 47 LYS HA H 1 4.182 . . 1 . . . . . . . . 4281 1 613 . 1 1 47 47 LYS HB2 H 1 1.600 . . 2 . . . . . . . . 4281 1 614 . 1 1 47 47 LYS HB3 H 1 1.821 . . 2 . . . . . . . . 4281 1 615 . 1 1 47 47 LYS HG2 H 1 1.617 . . 2 . . . . . . . . 4281 1 616 . 1 1 47 47 LYS HG3 H 1 1.452 . . 2 . . . . . . . . 4281 1 617 . 1 1 47 47 LYS HD2 H 1 1.313 . . 1 . . . . . . . . 4281 1 618 . 1 1 47 47 LYS HD3 H 1 1.313 . . 1 . . . . . . . . 4281 1 619 . 1 1 47 47 LYS HE2 H 1 2.926 . . 1 . . . . . . . . 4281 1 620 . 1 1 47 47 LYS HE3 H 1 2.926 . . 1 . . . . . . . . 4281 1 621 . 1 1 47 47 LYS C C 13 178.026 . . 1 . . . . . . . . 4281 1 622 . 1 1 47 47 LYS CA C 13 56.400 . . 1 . . . . . . . . 4281 1 623 . 1 1 47 47 LYS CB C 13 29.700 . . 1 . . . . . . . . 4281 1 624 . 1 1 47 47 LYS CG C 13 26.968 . . 1 . . . . . . . . 4281 1 625 . 1 1 47 47 LYS CD C 13 23.294 . . 1 . . . . . . . . 4281 1 626 . 1 1 47 47 LYS CE C 13 39.493 . . 1 . . . . . . . . 4281 1 627 . 1 1 47 47 LYS N N 15 123.651 . . 1 . . . . . . . . 4281 1 628 . 1 1 48 48 TYR H H 1 8.584 . . 1 . . . . . . . . 4281 1 629 . 1 1 48 48 TYR HA H 1 4.566 . . 1 . . . . . . . . 4281 1 630 . 1 1 48 48 TYR HB2 H 1 2.740 . . 2 . . . . . . . . 4281 1 631 . 1 1 48 48 TYR HB3 H 1 2.697 . . 2 . . . . . . . . 4281 1 632 . 1 1 48 48 TYR C C 13 175.903 . . 1 . . . . . . . . 4281 1 633 . 1 1 48 48 TYR CA C 13 55.200 . . 1 . . . . . . . . 4281 1 634 . 1 1 48 48 TYR CB C 13 36.800 . . 1 . . . . . . . . 4281 1 635 . 1 1 48 48 TYR N N 15 126.965 . . 1 . . . . . . . . 4281 1 636 . 1 1 49 49 LYS H H 1 8.096 . . 1 . . . . . . . . 4281 1 637 . 1 1 49 49 LYS HA H 1 4.429 . . 1 . . . . . . . . 4281 1 638 . 1 1 49 49 LYS HB2 H 1 1.492 . . 2 . . . . . . . . 4281 1 639 . 1 1 49 49 LYS HB3 H 1 1.616 . . 2 . . . . . . . . 4281 1 640 . 1 1 49 49 LYS HG2 H 1 1.601 . . 1 . . . . . . . . 4281 1 641 . 1 1 49 49 LYS HG3 H 1 1.601 . . 1 . . . . . . . . 4281 1 642 . 1 1 49 49 LYS HD2 H 1 1.230 . . 1 . . . . . . . . 4281 1 643 . 1 1 49 49 LYS HD3 H 1 1.230 . . 1 . . . . . . . . 4281 1 644 . 1 1 49 49 LYS HE2 H 1 2.910 . . 1 . . . . . . . . 4281 1 645 . 1 1 49 49 LYS HE3 H 1 2.910 . . 1 . . . . . . . . 4281 1 646 . 1 1 49 49 LYS CA C 13 50.700 . . 1 . . . . . . . . 4281 1 647 . 1 1 49 49 LYS CB C 13 30.600 . . 1 . . . . . . . . 4281 1 648 . 1 1 49 49 LYS CG C 13 26.600 . . 1 . . . . . . . . 4281 1 649 . 1 1 49 49 LYS CD C 13 21.500 . . 1 . . . . . . . . 4281 1 650 . 1 1 49 49 LYS CE C 13 39.900 . . 1 . . . . . . . . 4281 1 651 . 1 1 49 49 LYS N N 15 129.273 . . 1 . . . . . . . . 4281 1 652 . 1 1 50 50 PRO HA H 1 4.149 . . 1 . . . . . . . . 4281 1 653 . 1 1 50 50 PRO HB2 H 1 1.826 . . 2 . . . . . . . . 4281 1 654 . 1 1 50 50 PRO HB3 H 1 2.113 . . 2 . . . . . . . . 4281 1 655 . 1 1 50 50 PRO HG2 H 1 1.823 . . 1 . . . . . . . . 4281 1 656 . 1 1 50 50 PRO HG3 H 1 1.823 . . 1 . . . . . . . . 4281 1 657 . 1 1 50 50 PRO HD2 H 1 2.978 . . 2 . . . . . . . . 4281 1 658 . 1 1 50 50 PRO HD3 H 1 3.408 . . 2 . . . . . . . . 4281 1 659 . 1 1 50 50 PRO C C 13 178.153 . . 1 . . . . . . . . 4281 1 660 . 1 1 50 50 PRO CA C 13 60.300 . . 1 . . . . . . . . 4281 1 661 . 1 1 50 50 PRO CB C 13 29.200 . . 1 . . . . . . . . 4281 1 662 . 1 1 50 50 PRO CG C 13 24.240 . . 1 . . . . . . . . 4281 1 663 . 1 1 50 50 PRO CD C 13 47.577 . . 1 . . . . . . . . 4281 1 664 . 1 1 51 51 ASN H H 1 8.372 . . 1 . . . . . . . . 4281 1 665 . 1 1 51 51 ASN HA H 1 4.569 . . 1 . . . . . . . . 4281 1 666 . 1 1 51 51 ASN HB2 H 1 2.742 . . 2 . . . . . . . . 4281 1 667 . 1 1 51 51 ASN HB3 H 1 2.780 . . 2 . . . . . . . . 4281 1 668 . 1 1 51 51 ASN HD21 H 1 7.567 . . 2 . . . . . . . . 4281 1 669 . 1 1 51 51 ASN HD22 H 1 6.887 . . 2 . . . . . . . . 4281 1 670 . 1 1 51 51 ASN C C 13 176.655 . . 1 . . . . . . . . 4281 1 671 . 1 1 51 51 ASN CA C 13 50.900 . . 1 . . . . . . . . 4281 1 672 . 1 1 51 51 ASN CB C 13 36.100 . . 1 . . . . . . . . 4281 1 673 . 1 1 51 51 ASN N N 15 117.769 . . 1 . . . . . . . . 4281 1 674 . 1 1 51 51 ASN ND2 N 15 112.886 . . 1 . . . . . . . . 4281 1 675 . 1 1 52 52 MET H H 1 8.249 . . 1 . . . . . . . . 4281 1 676 . 1 1 52 52 MET HA H 1 4.496 . . 1 . . . . . . . . 4281 1 677 . 1 1 52 52 MET HB2 H 1 1.950 . . 2 . . . . . . . . 4281 1 678 . 1 1 52 52 MET HB3 H 1 2.130 . . 2 . . . . . . . . 4281 1 679 . 1 1 52 52 MET HG2 H 1 2.470 . . 2 . . . . . . . . 4281 1 680 . 1 1 52 52 MET HG3 H 1 2.516 . . 2 . . . . . . . . 4281 1 681 . 1 1 52 52 MET C C 13 177.143 . . 1 . . . . . . . . 4281 1 682 . 1 1 52 52 MET CA C 13 51.700 . . 1 . . . . . . . . 4281 1 683 . 1 1 52 52 MET CB C 13 37.300 . . 1 . . . . . . . . 4281 1 684 . 1 1 52 52 MET CG C 13 24.810 . . 1 . . . . . . . . 4281 1 685 . 1 1 52 52 MET N N 15 120.664 . . 1 . . . . . . . . 4281 1 686 . 1 1 53 53 THR H H 1 7.707 . . 1 . . . . . . . . 4281 1 687 . 1 1 53 53 THR HA H 1 4.089 . . 1 . . . . . . . . 4281 1 688 . 1 1 53 53 THR HB H 1 4.167 . . 1 . . . . . . . . 4281 1 689 . 1 1 53 53 THR HG21 H 1 1.108 . . 1 . . . . . . . . 4281 1 690 . 1 1 53 53 THR HG22 H 1 1.108 . . 1 . . . . . . . . 4281 1 691 . 1 1 53 53 THR HG23 H 1 1.108 . . 1 . . . . . . . . 4281 1 692 . 1 1 53 53 THR CA C 13 60.700 . . 1 . . . . . . . . 4281 1 693 . 1 1 53 53 THR CB C 13 68.100 . . 1 . . . . . . . . 4281 1 694 . 1 1 53 53 THR CG2 C 13 19.400 . . 1 . . . . . . . . 4281 1 695 . 1 1 53 53 THR N N 15 119.751 . . 1 . . . . . . . . 4281 1 stop_ save_