data_26519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26519 _Entry.Title ; Studying Invisible Excited Protein States in Slow Exchange with a Major State Conformation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-24 _Entry.Accession_date 2015-02-24 _Entry.Last_release_date 2015-03-09 _Entry.Original_release_date 2015-03-09 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pramodh Vallurupalli . . . 26519 2 Guillaume Bouvignies . . . 26519 3 Lewis Kay . E. . 26519 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Departments of Molecular Genetics, Biochemistry and Chemistry, The University of Toronto, Toronto, Ontario, M5S 1A8, Canada' . 26519 2 . 'Hospital for Sick Children, Program in Molecular Structure and Function, Toronto, Ontario, M5G 1X8, Canada' . 26519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 1 26519 heteronucl_T2_relaxation 2 26519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 56 26519 'T2 relaxation values' 112 26519 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 . . 2015-03-09 2015-02-24 original author . 26519 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26520 'A39G FF domain' 26519 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26519 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22554188 _Citation.Full_citation . _Citation.Title 'Studying Invisible Excited Protein States in Slow Exchange with a Major State Conformation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 134 _Citation.Journal_issue 19 _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 8148 _Citation.Page_last 8161 _Citation.Year 2012 _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 Pramodh Vallurupalli . . . 26519 1 2 Guillaume Bouvignies . . . 26519 1 3 Lewis Kay . E. . 26519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26519 _Assembly.ID 1 _Assembly.Name 'Abp1p-Ark1p system' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Abp1p 1 $Abp1p A . yes native no no . . . 26519 1 2 Ark1p 2 $Ark1p A . no native no no . . . 26519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Abp1p _Entity.Sf_category entity _Entity.Sf_framecode Abp1p _Entity.Entry_ID 26519 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Abp1p _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 ; APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16843 . Abp1p . . . . . 100.00 62 100.00 100.00 6.06e-33 . . . . 26519 1 2 no BMRB 18054 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 3 no BMRB 18055 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 4 no BMRB 18056 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 5 no BMRB 18057 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 6 no BMRB 18058 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 7 no BMRB 18059 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 8 no BMRB 18060 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 9 no BMRB 18061 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 10 no BMRB 18062 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 11 no BMRB 18063 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 12 no BMRB 18064 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 13 no BMRB 18065 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 14 no BMRB 18066 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 15 no BMRB 18067 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 16 no BMRB 18068 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 17 no BMRB 18069 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 18 no BMRB 18070 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 19 no BMRB 18071 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 20 no BMRB 18072 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 21 no BMRB 18073 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 22 no BMRB 18074 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 23 no BMRB 18075 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 24 no BMRB 18076 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 25 no BMRB 18077 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 26 no BMRB 18078 . AbpSH3 . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 27 no BMRB 25354 . Abp1p_SH3 . . . . . 100.00 62 100.00 100.00 6.06e-33 . . . . 26519 1 28 no PDB 1JO8 . "Structural Analysis Of The Yeast Actin Binding Protein Abp1 Sh3 Domain" . . . . . 98.31 58 100.00 100.00 3.72e-32 . . . . 26519 1 29 no PDB 2K3B . "Seeing The Invisible: Structures Of Excited Protein States By Relaxation Dispersion Nmr" . . . . . 100.00 62 100.00 100.00 6.06e-33 . . . . 26519 1 30 no PDB 2RPN . "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" . . . . . 100.00 59 100.00 100.00 9.09e-33 . . . . 26519 1 31 no DBJ GAA21988 . "K7_Abp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.31 592 100.00 100.00 7.24e-32 . . . . 26519 1 32 no EMBL CAA36075 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 98.31 592 100.00 100.00 7.86e-32 . . . . 26519 1 33 no EMBL CAA42253 . "actin-binding protein [Saccharomyces cerevisiae]" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 1 34 no EMBL CAY78291 . "Abp1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.31 592 100.00 100.00 7.02e-32 . . . . 26519 1 35 no GB AHN96147 . "ABP1 [synthetic construct]" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 1 36 no GB AHV79349 . "ABP1 [synthetic construct]" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 1 37 no GB AHY79755 . "Abp1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.31 592 100.00 100.00 7.24e-32 . . . . 26519 1 38 no GB AJP37506 . "Abp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.31 592 100.00 100.00 7.24e-32 . . . . 26519 1 39 no GB AJQ31991 . "Abp1p [Saccharomyces cerevisiae YJM1356]" . . . . . 98.31 592 100.00 100.00 7.70e-32 . . . . 26519 1 40 no PRF 1603360A . "actin binding protein" . . . . . 98.31 592 100.00 100.00 8.02e-32 . . . . 26519 1 41 no REF NP_010012 . "Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 1 42 no SP P15891 . "RecName: Full=Actin-binding protein" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 1 43 no TPG DAA07557 . "TPA: Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 98.31 592 100.00 100.00 8.27e-32 . . . . 26519 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 1 ALA . 26519 1 2 2 PRO . 26519 1 3 3 TRP . 26519 1 4 4 ALA . 26519 1 5 5 THR . 26519 1 6 6 ALA . 26519 1 7 7 GLU . 26519 1 8 8 TYR . 26519 1 9 9 ASP . 26519 1 10 10 TYR . 26519 1 11 11 ASP . 26519 1 12 12 ALA . 26519 1 13 13 ALA . 26519 1 14 14 GLU . 26519 1 15 15 ASP . 26519 1 16 16 ASN . 26519 1 17 17 GLU . 26519 1 18 18 LEU . 26519 1 19 19 THR . 26519 1 20 20 PHE . 26519 1 21 21 VAL . 26519 1 22 22 GLU . 26519 1 23 23 ASN . 26519 1 24 24 ASP . 26519 1 25 25 LYS . 26519 1 26 26 ILE . 26519 1 27 27 ILE . 26519 1 28 28 ASN . 26519 1 29 29 ILE . 26519 1 30 30 GLU . 26519 1 31 31 PHE . 26519 1 32 32 VAL . 26519 1 33 33 ASP . 26519 1 34 34 ASP . 26519 1 35 35 ASP . 26519 1 36 36 TRP . 26519 1 37 37 TRP . 26519 1 38 38 LEU . 26519 1 39 39 GLY . 26519 1 40 40 GLU . 26519 1 41 41 LEU . 26519 1 42 42 GLU . 26519 1 43 43 LYS . 26519 1 44 44 ASP . 26519 1 45 45 GLY . 26519 1 46 46 SER . 26519 1 47 47 LYS . 26519 1 48 48 GLY . 26519 1 49 49 LEU . 26519 1 50 50 PHE . 26519 1 51 51 PRO . 26519 1 52 52 SER . 26519 1 53 53 ASN . 26519 1 54 54 TYR . 26519 1 55 55 VAL . 26519 1 56 56 SER . 26519 1 57 57 LEU . 26519 1 58 58 GLY . 26519 1 59 59 ASN . 26519 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 . ALA 1 1 26519 1 . PRO 2 2 26519 1 . TRP 3 3 26519 1 . ALA 4 4 26519 1 . THR 5 5 26519 1 . ALA 6 6 26519 1 . GLU 7 7 26519 1 . TYR 8 8 26519 1 . ASP 9 9 26519 1 . TYR 10 10 26519 1 . ASP 11 11 26519 1 . ALA 12 12 26519 1 . ALA 13 13 26519 1 . GLU 14 14 26519 1 . ASP 15 15 26519 1 . ASN 16 16 26519 1 . GLU 17 17 26519 1 . LEU 18 18 26519 1 . THR 19 19 26519 1 . PHE 20 20 26519 1 . VAL 21 21 26519 1 . GLU 22 22 26519 1 . ASN 23 23 26519 1 . ASP 24 24 26519 1 . LYS 25 25 26519 1 . ILE 26 26 26519 1 . ILE 27 27 26519 1 . ASN 28 28 26519 1 . ILE 29 29 26519 1 . GLU 30 30 26519 1 . PHE 31 31 26519 1 . VAL 32 32 26519 1 . ASP 33 33 26519 1 . ASP 34 34 26519 1 . ASP 35 35 26519 1 . TRP 36 36 26519 1 . TRP 37 37 26519 1 . LEU 38 38 26519 1 . GLY 39 39 26519 1 . GLU 40 40 26519 1 . LEU 41 41 26519 1 . GLU 42 42 26519 1 . LYS 43 43 26519 1 . ASP 44 44 26519 1 . GLY 45 45 26519 1 . SER 46 46 26519 1 . LYS 47 47 26519 1 . GLY 48 48 26519 1 . LEU 49 49 26519 1 . PHE 50 50 26519 1 . PRO 51 51 26519 1 . SER 52 52 26519 1 . ASN 53 53 26519 1 . TYR 54 54 26519 1 . VAL 55 55 26519 1 . SER 56 56 26519 1 . LEU 57 57 26519 1 . GLY 58 58 26519 1 . ASN 59 59 26519 1 stop_ save_ save_Ark1p _Entity.Sf_category entity _Entity.Sf_framecode Ark1p _Entity.Entry_ID 26519 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ark1p _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 KKTKPTPPPKPSHLKPK _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 LYS . 26519 2 2 2 LYS . 26519 2 3 3 THR . 26519 2 4 4 LYS . 26519 2 5 5 PRO . 26519 2 6 6 THR . 26519 2 7 7 PRO . 26519 2 8 8 PRO . 26519 2 9 9 PRO . 26519 2 10 10 LYS . 26519 2 11 11 PRO . 26519 2 12 12 SER . 26519 2 13 13 HIS . 26519 2 14 14 LEU . 26519 2 15 15 LYS . 26519 2 16 16 PRO . 26519 2 17 17 LYS . 26519 2 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 . LYS 1 1 26519 2 . LYS 2 2 26519 2 . THR 3 3 26519 2 . LYS 4 4 26519 2 . PRO 5 5 26519 2 . THR 6 6 26519 2 . PRO 7 7 26519 2 . PRO 8 8 26519 2 . PRO 9 9 26519 2 . LYS 10 10 26519 2 . PRO 11 11 26519 2 . SER 12 12 26519 2 . HIS 13 13 26519 2 . LEU 14 14 26519 2 . LYS 15 15 26519 2 . PRO 16 16 26519 2 . LYS 17 17 26519 2 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 26519 _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 $Abp1p . 4932 organism . 'Saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 26519 1 2 2 $Ark1p . 4932 organism . 'Saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 26519 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 26519 _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 $Abp1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . 'pET32b plasmid' . . 26519 1 2 2 $Ark1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . 'pET32b plasmid' . . 26519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26519 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The concentration of added peptide was such that the sample was 97.5% free, 2.5% peptide-bound' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Abp1p SH3 domain' '[U-100% 2H; U-100% 15N]' . . 1 $Abp1p . . 1.5 . . mM . . . . 26519 1 2 'Ark1p peptide' 'natural abundance' . . 2 $Ark1p . . 1.46 . . mM . . . . 26519 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26519 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26519 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 26519 1 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 26519 1 7 H20 'natural abundance' . . . . . . 90 . . % . . . . 26519 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26519 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26519 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Abp1p SH3 domain' '[U-100% 2H; U-100% 15N]' . . 1 $Abp1p . . 1.5 . . mM . . . . 26519 2 2 'Ark1p peptide' 'natural abundance' . . 2 $Ark1p . . 1.5 . . mM . . . . 26519 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26519 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26519 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 26519 2 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 26519 2 7 H20 'natural abundance' . . . . . . 90 . . % . . . . 26519 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26519 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26519 _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 temperature 274 . K 26519 1 pH 7.0 . pH 26519 1 pressure 1 . atm 26519 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26519 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26519 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26519 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26519 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26519 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Visualization 26519 2 stop_ save_ save_CATIA _Software.Sf_category software _Software.Sf_framecode CATIA _Software.Entry_ID 26519 _Software.ID 3 _Software.Name CATIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bloch McConnell' . . 26519 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26519 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26519 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26519 _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 Varian Inova . 500 . . . 26519 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 26519 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26519 1 2 '2D 1H-15N HSQC 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26519 1 3 '2D 1H-15N HMQC 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26519 1 4 '2D 1H-15N HMQC 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26519 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26519 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details ; Ground State Values of obtained from fits of all CEST profiles recorded on the Abp1p-Ark1p system, 1C, 11.7T to a global two-site exchange processes. Values of (kex,pE) were fixed to (130 s-1, 2.38%) and profiles for all of the residues fit simultaneously. The following six residues showed clear evidence for a second state (well resolved dips for both ground and excited states in profiles): 15 31 32 33 34 37 ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC 1' . . . 26519 1 2 '2D 1H-15N HSQC 2' . . . 26519 1 3 '2D 1H-15N HMQC 1' . . . 26519 1 4 '2D 1H-15N HMQC 2' . . . 26519 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 ALA N N 15 1.60 0.01 . . . . . 26519 1 2 . 1 1 3 3 TRP N N 15 1.87 0.01 . . . . . 26519 1 3 . 1 1 4 4 ALA N N 15 2.02 0.01 . . . . . 26519 1 4 . 1 1 5 5 THR N N 15 1.88 0.01 . . . . . 26519 1 5 . 1 1 6 6 ALA N N 15 1.97 0.01 . . . . . 26519 1 6 . 1 1 7 7 GLU N N 15 1.98 0.02 . . . . . 26519 1 7 . 1 1 8 8 TYR N N 15 1.92 0.01 . . . . . 26519 1 8 . 1 1 9 9 ASP N N 15 1.66 0.01 . . . . . 26519 1 9 . 1 1 10 10 TYR N N 15 1.96 0.01 . . . . . 26519 1 10 . 1 1 11 11 ASP N N 15 1.75 0.01 . . . . . 26519 1 11 . 1 1 12 12 ALA N N 15 1.81 0.01 . . . . . 26519 1 12 . 1 1 13 13 ALA N N 15 1.81 0.01 . . . . . 26519 1 13 . 1 1 14 14 GLU N N 15 1.64 0.01 . . . . . 26519 1 14 . 1 1 15 15 ASP N N 15 1.67 0.01 . . . . . 26519 1 15 . 1 1 16 16 ASN N N 15 1.79 0.01 . . . . . 26519 1 16 . 1 1 17 17 GLU N N 15 1.86 0.01 . . . . . 26519 1 17 . 1 1 18 18 LEU N N 15 2.05 0.01 . . . . . 26519 1 18 . 1 1 19 19 THR N N 15 1.67 0.01 . . . . . 26519 1 19 . 1 1 20 20 PHE N N 15 1.98 0.01 . . . . . 26519 1 20 . 1 1 21 21 VAL N N 15 1.86 0.01 . . . . . 26519 1 21 . 1 1 22 22 GLU N N 15 1.78 0.01 . . . . . 26519 1 22 . 1 1 23 23 ASN N N 15 1.91 0.01 . . . . . 26519 1 23 . 1 1 24 24 ASP N N 15 1.89 0.01 . . . . . 26519 1 24 . 1 1 25 25 LYS N N 15 1.77 0.01 . . . . . 26519 1 25 . 1 1 27 27 ILE N N 15 1.99 0.01 . . . . . 26519 1 26 . 1 1 28 28 ASN N N 15 1.81 0.01 . . . . . 26519 1 27 . 1 1 29 29 ILE N N 15 1.98 0.03 . . . . . 26519 1 28 . 1 1 30 30 GLU N N 15 1.87 0.01 . . . . . 26519 1 29 . 1 1 31 31 PHE N N 15 1.64 0.01 . . . . . 26519 1 30 . 1 1 32 32 VAL N N 15 1.70 0.01 . . . . . 26519 1 31 . 1 1 33 33 ASP N N 15 1.97 0.01 . . . . . 26519 1 32 . 1 1 34 34 ASP N N 15 1.70 0.01 . . . . . 26519 1 33 . 1 1 35 35 ASP N N 15 1.84 0.01 . . . . . 26519 1 34 . 1 1 36 36 TRP N N 15 1.83 0.01 . . . . . 26519 1 35 . 1 1 37 37 TRP N N 15 1.96 0.01 . . . . . 26519 1 36 . 1 1 38 38 LEU N N 15 1.90 0.01 . . . . . 26519 1 37 . 1 1 39 39 GLY N N 15 1.93 0.01 . . . . . 26519 1 38 . 1 1 40 40 GLU N N 15 1.48 0.01 . . . . . 26519 1 39 . 1 1 41 41 LEU N N 15 2.00 0.01 . . . . . 26519 1 40 . 1 1 42 42 GLU N N 15 1.96 0.01 . . . . . 26519 1 41 . 1 1 43 43 LYS N N 15 1.89 0.01 . . . . . 26519 1 42 . 1 1 44 44 ASP N N 15 1.96 0.01 . . . . . 26519 1 43 . 1 1 45 45 GLY N N 15 1.92 0.01 . . . . . 26519 1 44 . 1 1 46 46 SER N N 15 1.91 0.01 . . . . . 26519 1 45 . 1 1 47 47 LYS N N 15 1.70 0.01 . . . . . 26519 1 46 . 1 1 48 48 GLY N N 15 1.91 0.01 . . . . . 26519 1 47 . 1 1 49 49 LEU N N 15 1.84 0.01 . . . . . 26519 1 48 . 1 1 50 50 PHE N N 15 2.04 0.01 . . . . . 26519 1 49 . 1 1 52 52 SER N N 15 1.88 0.01 . . . . . 26519 1 50 . 1 1 53 53 ASN N N 15 1.85 0.01 . . . . . 26519 1 51 . 1 1 54 54 TYR N N 15 1.99 0.01 . . . . . 26519 1 52 . 1 1 55 55 VAL N N 15 1.95 0.01 . . . . . 26519 1 53 . 1 1 56 56 SER N N 15 1.87 0.01 . . . . . 26519 1 54 . 1 1 57 57 LEU N N 15 1.76 0.01 . . . . . 26519 1 55 . 1 1 58 58 GLY N N 15 1.91 0.01 . . . . . 26519 1 56 . 1 1 59 59 ASN N N 15 1.71 0.01 . . . . . 26519 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_G_State _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_G_State _Heteronucl_T2_list.Entry_ID 26519 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; Ground State Values of obtained from fits of all CEST profiles recorded on the Abp1p-Ark1p system, 1C, 11.7T to a global two-site exchange processes. Values of (kex,pE) were fixed to (130 s-1, 2.38%) and profiles for all of the residues fit simultaneously. The following six residues showed clear evidence for a second state (well resolved dips for both ground and excited states in profiles): 15 31 32 33 34 37 ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC 1' . . . 26519 1 2 '2D 1H-15N HSQC 2' . . . 26519 1 3 '2D 1H-15N HMQC 1' . . . 26519 1 4 '2D 1H-15N HMQC 2' . . . 26519 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 ALA N N 15 5.33 0.25 . . . . . . . 26519 1 2 . 1 1 3 3 TRP N N 15 8.71 0.36 . . . . . . . 26519 1 3 . 1 1 4 4 ALA N N 15 8.78 0.39 . . . . . . . 26519 1 4 . 1 1 5 5 THR N N 15 9.63 0.30 . . . . . . . 26519 1 5 . 1 1 6 6 ALA N N 15 7.09 0.45 . . . . . . . 26519 1 6 . 1 1 7 7 GLU N N 15 9.28 1.39 . . . . . . . 26519 1 7 . 1 1 8 8 TYR N N 15 8.87 0.25 . . . . . . . 26519 1 8 . 1 1 9 9 ASP N N 15 8.48 0.23 . . . . . . . 26519 1 9 . 1 1 10 10 TYR N N 15 9.57 0.24 . . . . . . . 26519 1 10 . 1 1 11 11 ASP N N 15 8.52 0.21 . . . . . . . 26519 1 11 . 1 1 12 12 ALA N N 15 8.46 0.32 . . . . . . . 26519 1 12 . 1 1 13 13 ALA N N 15 8.72 0.25 . . . . . . . 26519 1 13 . 1 1 14 14 GLU N N 15 8.05 0.22 . . . . . . . 26519 1 14 . 1 1 15 15 ASP N N 15 8.27 0.10 . . . . . . . 26519 1 15 . 1 1 16 16 ASN N N 15 8.18 0.19 . . . . . . . 26519 1 16 . 1 1 17 17 GLU N N 15 9.64 0.14 . . . . . . . 26519 1 17 . 1 1 18 18 LEU N N 15 9.49 0.34 . . . . . . . 26519 1 18 . 1 1 19 19 THR N N 15 8.16 0.19 . . . . . . . 26519 1 19 . 1 1 20 20 PHE N N 15 9.19 0.65 . . . . . . . 26519 1 20 . 1 1 21 21 VAL N N 15 9.45 0.60 . . . . . . . 26519 1 21 . 1 1 22 22 GLU N N 15 7.92 0.39 . . . . . . . 26519 1 22 . 1 1 23 23 ASN N N 15 8.36 0.35 . . . . . . . 26519 1 23 . 1 1 24 24 ASP N N 15 9.65 0.38 . . . . . . . 26519 1 24 . 1 1 25 25 LYS N N 15 8.53 0.37 . . . . . . . 26519 1 25 . 1 1 27 27 ILE N N 15 8.39 0.77 . . . . . . . 26519 1 26 . 1 1 28 28 ASN N N 15 8.46 0.56 . . . . . . . 26519 1 27 . 1 1 29 29 ILE N N 15 9.12 2.46 . . . . . . . 26519 1 28 . 1 1 30 30 GLU N N 15 9.35 0.23 . . . . . . . 26519 1 29 . 1 1 31 31 PHE N N 15 9.73 0.13 . . . . . . . 26519 1 30 . 1 1 32 32 VAL N N 15 7.71 0.13 . . . . . . . 26519 1 31 . 1 1 33 33 ASP N N 15 8.12 0.18 . . . . . . . 26519 1 32 . 1 1 34 34 ASP N N 15 8.07 0.11 . . . . . . . 26519 1 33 . 1 1 35 35 ASP N N 15 8.36 0.16 . . . . . . . 26519 1 34 . 1 1 36 36 TRP N N 15 8.47 0.23 . . . . . . . 26519 1 35 . 1 1 37 37 TRP N N 15 9.91 0.28 . . . . . . . 26519 1 36 . 1 1 38 38 LEU N N 15 9.29 0.51 . . . . . . . 26519 1 37 . 1 1 39 39 GLY N N 15 9.60 0.34 . . . . . . . 26519 1 38 . 1 1 40 40 GLU N N 15 2.94 0.14 . . . . . . . 26519 1 39 . 1 1 41 41 LEU N N 15 9.51 0.33 . . . . . . . 26519 1 40 . 1 1 42 42 GLU N N 15 8.55 0.25 . . . . . . . 26519 1 41 . 1 1 43 43 LYS N N 15 8.43 0.71 . . . . . . . 26519 1 42 . 1 1 44 44 ASP N N 15 8.49 0.29 . . . . . . . 26519 1 43 . 1 1 45 45 GLY N N 15 8.98 0.46 . . . . . . . 26519 1 44 . 1 1 46 46 SER N N 15 8.36 0.44 . . . . . . . 26519 1 45 . 1 1 47 47 LYS N N 15 7.20 0.37 . . . . . . . 26519 1 46 . 1 1 48 48 GLY N N 15 8.93 0.68 . . . . . . . 26519 1 47 . 1 1 49 49 LEU N N 15 9.55 0.22 . . . . . . . 26519 1 48 . 1 1 50 50 PHE N N 15 9.78 0.69 . . . . . . . 26519 1 49 . 1 1 52 52 SER N N 15 12.14 0.23 . . . . . . . 26519 1 50 . 1 1 53 53 ASN N N 15 12.74 0.33 . . . . . . . 26519 1 51 . 1 1 54 54 TYR N N 15 9.45 0.64 . . . . . . . 26519 1 52 . 1 1 55 55 VAL N N 15 9.97 0.32 . . . . . . . 26519 1 53 . 1 1 56 56 SER N N 15 9.46 0.42 . . . . . . . 26519 1 54 . 1 1 57 57 LEU N N 15 9.26 0.38 . . . . . . . 26519 1 55 . 1 1 58 58 GLY N N 15 8.89 0.46 . . . . . . . 26519 1 56 . 1 1 59 59 ASN N N 15 6.60 0.37 . . . . . . . 26519 1 stop_ save_ save_heteronuclear_T2_list_E_State _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_E_State _Heteronucl_T2_list.Entry_ID 26519 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; Excited State Values of obtained from fits of all CEST profiles recorded on the Abp1p-Ark1p system, 1C, 11.7T to a global two-site exchange processes. Values of (kex,pE) were fixed to (130 s-1, 2.38%) and profiles for all of the residues fit simultaneously. The following six residues showed clear evidence for a second state (well resolved dips for both ground and excited states in profiles): 15 31 32 33 34 37 ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC 1' . . . 26519 2 2 '2D 1H-15N HSQC 2' . . . 26519 2 3 '2D 1H-15N HMQC 1' . . . 26519 2 4 '2D 1H-15N HMQC 2' . . . 26519 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 ALA N N 15 0.7 10.2 . . . . . . . 26519 2 2 . 1 1 3 3 TRP N N 15 4.8 14.5 . . . . . . . 26519 2 3 . 1 1 4 4 ALA N N 15 2.6 15.5 . . . . . . . 26519 2 4 . 1 1 5 5 THR N N 15 16.4 11.8 . . . . . . . 26519 2 5 . 1 1 6 6 ALA N N 15 94.7 28.5 . . . . . . . 26519 2 6 . 1 1 7 7 GLU N N 15 12.3 60.4 . . . . . . . 26519 2 7 . 1 1 8 8 TYR N N 15 5.7 8.5 . . . . . . . 26519 2 8 . 1 1 9 9 ASP N N 15 0.1 8.8 . . . . . . . 26519 2 9 . 1 1 10 10 TYR N N 15 19.4 9.5 . . . . . . . 26519 2 10 . 1 1 11 11 ASP N N 15 3.8 8.7 . . . . . . . 26519 2 11 . 1 1 12 12 ALA N N 15 2.4 13.4 . . . . . . . 26519 2 12 . 1 1 13 13 ALA N N 15 10.9 9.8 . . . . . . . 26519 2 13 . 1 1 14 14 GLU N N 15 3.2 8.1 . . . . . . . 26519 2 14 . 1 1 15 15 ASP N N 15 13.4 3.6 . . . . . . . 26519 2 15 . 1 1 16 16 ASN N N 15 18.6 7.7 . . . . . . . 26519 2 16 . 1 1 17 17 GLU N N 15 7.1 4.5 . . . . . . . 26519 2 17 . 1 1 18 18 LEU N N 15 1.3 12.2 . . . . . . . 26519 2 18 . 1 1 19 19 THR N N 15 4.8 7.6 . . . . . . . 26519 2 19 . 1 1 20 20 PHE N N 15 17.1 28.3 . . . . . . . 26519 2 20 . 1 1 21 21 VAL N N 15 2.9 24.9 . . . . . . . 26519 2 21 . 1 1 22 22 GLU N N 15 58.4 21.5 . . . . . . . 26519 2 22 . 1 1 23 23 ASN N N 15 15.2 15.7 . . . . . . . 26519 2 23 . 1 1 24 24 ASP N N 15 7.4 16.3 . . . . . . . 26519 2 24 . 1 1 25 25 LYS N N 15 2.6 14.8 . . . . . . . 26519 2 25 . 1 1 27 27 ILE N N 15 39.7 38.3 . . . . . . . 26519 2 26 . 1 1 28 28 ASN N N 15 47.8 28.9 . . . . . . . 26519 2 27 . 1 1 29 29 ILE N N 15 22.7 110 . . . . . . . 26519 2 28 . 1 1 30 30 GLU N N 15 3.0 7.7 . . . . . . . 26519 2 29 . 1 1 31 31 PHE N N 15 6.3 4.2 . . . . . . . 26519 2 30 . 1 1 32 32 VAL N N 15 19.9 5.2 . . . . . . . 26519 2 31 . 1 1 33 33 ASP N N 15 13.1 6.9 . . . . . . . 26519 2 32 . 1 1 34 34 ASP N N 15 27.7 4.4 . . . . . . . 26519 2 33 . 1 1 35 35 ASP N N 15 22.2 6.0 . . . . . . . 26519 2 34 . 1 1 36 36 TRP N N 15 12.8 8.0 . . . . . . . 26519 2 35 . 1 1 37 37 TRP N N 15 4.0 8.8 . . . . . . . 26519 2 36 . 1 1 38 38 LEU N N 15 2.5 19.4 . . . . . . . 26519 2 37 . 1 1 39 39 GLY N N 15 18.1 13.8 . . . . . . . 26519 2 38 . 1 1 40 40 GLU N N 15 0.8 5.5 . . . . . . . 26519 2 39 . 1 1 41 41 LEU N N 15 2.4 13.3 . . . . . . . 26519 2 40 . 1 1 42 42 GLU N N 15 0.2 10.1 . . . . . . . 26519 2 41 . 1 1 43 43 LYS N N 15 18.4 33.0 . . . . . . . 26519 2 42 . 1 1 44 44 ASP N N 15 1.5 11.2 . . . . . . . 26519 2 43 . 1 1 45 45 GLY N N 15 0.6 18.4 . . . . . . . 26519 2 44 . 1 1 46 46 SER N N 15 25.1 20.2 . . . . . . . 26519 2 45 . 1 1 47 47 LYS N N 15 66.9 20.6 . . . . . . . 26519 2 46 . 1 1 48 48 GLY N N 15 23.8 31.6 . . . . . . . 26519 2 47 . 1 1 49 49 LEU N N 15 15.9 8.5 . . . . . . . 26519 2 48 . 1 1 50 50 PHE N N 15 1.2 27.9 . . . . . . . 26519 2 49 . 1 1 52 52 SER N N 15 44.7 9.1 . . . . . . . 26519 2 50 . 1 1 53 53 ASN N N 15 0.4 10.1 . . . . . . . 26519 2 51 . 1 1 54 54 TYR N N 15 5.9 26.8 . . . . . . . 26519 2 52 . 1 1 55 55 VAL N N 15 176.8 26.0 . . . . . . . 26519 2 53 . 1 1 56 56 SER N N 15 35.4 20.0 . . . . . . . 26519 2 54 . 1 1 57 57 LEU N N 15 39.7 19.0 . . . . . . . 26519 2 55 . 1 1 58 58 GLY N N 15 2.2 18.0 . . . . . . . 26519 2 56 . 1 1 59 59 ASN N N 15 0.5 14.9 . . . . . . . 26519 2 stop_ save_