data_51612 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51612 _Entry.Title ; Uracil-DNA glycosylase efficiency is modulated by substrate rigidity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-02 _Entry.Accession_date 2022-09-02 _Entry.Last_release_date 2022-09-06 _Entry.Original_release_date 2022-09-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Imino proton exchange measurements by solution NMR of select Uracil-DNA Glycosylase (UDG) substrates' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Paul Orndorff . B. . . 51612 2 Souvik Poddar . . . . 51612 3 Aerial Owens . M. . . 51612 4 Nikita Kumari . . . . 51612 5 Bryan Ugaz . T. . . 51612 6 Samrat Amin . . . . 51612 7 Wade 'Van Horn' . D. . . 51612 8 Arjan 'van der Vaart' . . . . 51612 9 Marcia Levitus . . . . 51612 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID H_exch_rates 5 51612 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'H exchange rates' 38 51612 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 . . 2023-03-14 . original BMRB . 51612 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51612 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36890276 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Uracil-DNA glycosylase efficiency is modulated by substrate rigidity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 3915 _Citation.Page_last 3915 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paul Orndorff . B. . . 51612 1 2 Souvik Poddar . . . . 51612 1 3 Aerial Owens . M. . . 51612 1 4 Nikita Kumari . . . . 51612 1 5 Bryan Ugaz . T. . . 51612 1 6 Samrat Amin . . . . 51612 1 7 Wade 'Van Horn' . D. . . 51612 1 8 Arjan 'van der Vaart' . . . . 51612 1 9 Marcia Levitus . . . . 51612 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51612 _Assembly.ID 1 _Assembly.Name '4AT and others' _Assembly.BMRB_code . _Assembly.Number_of_components 10 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 4ATF 1 $entity_1 . . yes native no no . 'Template strand' . 51612 1 2 4ATR 2 $entity_2 . . yes native no no . 'Complement strand' . 51612 1 3 4TAF 3 $entity_3 . . yes native no no . 'Template strand' . 51612 1 4 4TAR 4 $entity_4 . . yes native no no . 'Complement strand' . 51612 1 5 4AAF 5 $entity_5 . . yes native no no . 'Template strand' . 51612 1 6 4AAR 6 $entity_6 . . yes native no no . 'Complement strand' . 51612 1 7 4TTF 7 $entity_7 . . yes native no no . 'Template strand' . 51612 1 8 4TTR 8 $entity_8 . . yes native no no . 'Complement strand' . 51612 1 9 1ATF 9 $entity_9 . . yes native no no . 'Template strand' . 51612 1 10 1ATR 10 $entity_10 . . yes native no no . 'Complement strand' . 51612 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51612 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGAAAUTGTTAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 'complement strand pairs A with U' _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 . DG . 51612 1 2 1 DT . 51612 1 3 2 DG . 51612 1 4 3 DA . 51612 1 5 4 DA . 51612 1 6 5 DA . 51612 1 7 6 DU . 51612 1 8 7 DT . 51612 1 9 8 DG . 51612 1 10 9 DT . 51612 1 11 10 DT . 51612 1 12 11 DA . 51612 1 13 12 DC . 51612 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 . DG 1 1 51612 1 . DT 2 2 51612 1 . DG 3 3 51612 1 . DA 4 4 51612 1 . DA 5 5 51612 1 . DA 6 6 51612 1 . DU 7 7 51612 1 . DT 8 8 51612 1 . DG 9 9 51612 1 . DT 10 10 51612 1 . DT 11 11 51612 1 . DA 12 12 51612 1 . DC 13 13 51612 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51612 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTAACAATTTCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 'complement strand pairs A with U' _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 14 DG . 51612 2 2 15 DT . 51612 2 3 16 DA . 51612 2 4 17 DA . 51612 2 5 18 DC . 51612 2 6 19 DA . 51612 2 7 20 DA . 51612 2 8 21 DT . 51612 2 9 22 DT . 51612 2 10 23 DT . 51612 2 11 24 DC . 51612 2 12 25 DA . 51612 2 13 26 DC . 51612 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 . DG 1 1 51612 2 . DT 2 2 51612 2 . DA 3 3 51612 2 . DA 4 4 51612 2 . DC 5 5 51612 2 . DA 6 6 51612 2 . DA 7 7 51612 2 . DT 8 8 51612 2 . DT 9 9 51612 2 . DT 10 10 51612 2 . DC 11 11 51612 2 . DA 12 12 51612 2 . DC 13 13 51612 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51612 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGAATUAGTTAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 'complement strand pairs A with U' _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 . DG . 51612 3 2 1 DT . 51612 3 3 2 DG . 51612 3 4 3 DA . 51612 3 5 4 DA . 51612 3 6 5 DT . 51612 3 7 6 DU . 51612 3 8 7 DA . 51612 3 9 8 DG . 51612 3 10 9 DT . 51612 3 11 10 DT . 51612 3 12 11 DA . 51612 3 13 12 DC . 51612 3 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 . DG 1 1 51612 3 . DT 2 2 51612 3 . DG 3 3 51612 3 . DA 4 4 51612 3 . DA 5 5 51612 3 . DT 6 6 51612 3 . DU 7 7 51612 3 . DA 8 8 51612 3 . DG 9 9 51612 3 . DT 10 10 51612 3 . DT 11 11 51612 3 . DA 12 12 51612 3 . DC 13 13 51612 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 51612 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTAACTAATTCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _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 'complement strand pairs A with U' _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 14 DG . 51612 4 2 15 DT . 51612 4 3 16 DA . 51612 4 4 17 DA . 51612 4 5 18 DC . 51612 4 6 19 DT . 51612 4 7 20 DA . 51612 4 8 21 DA . 51612 4 9 22 DT . 51612 4 10 23 DT . 51612 4 11 24 DC . 51612 4 12 25 DA . 51612 4 13 26 DC . 51612 4 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 . DG 1 1 51612 4 . DT 2 2 51612 4 . DA 3 3 51612 4 . DA 4 4 51612 4 . DC 5 5 51612 4 . DT 6 6 51612 4 . DA 7 7 51612 4 . DA 8 8 51612 4 . DT 9 9 51612 4 . DT 10 10 51612 4 . DC 11 11 51612 4 . DA 12 12 51612 4 . DC 13 13 51612 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 51612 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGAAAUAGTTAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 5 _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 'complement strand pairs A with U' _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 . DG . 51612 5 2 1 DT . 51612 5 3 2 DG . 51612 5 4 3 DA . 51612 5 5 4 DA . 51612 5 6 5 DA . 51612 5 7 6 DU . 51612 5 8 7 DA . 51612 5 9 8 DG . 51612 5 10 9 DT . 51612 5 11 10 DT . 51612 5 12 11 DA . 51612 5 13 12 DC . 51612 5 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 . DG 1 1 51612 5 . DT 2 2 51612 5 . DG 3 3 51612 5 . DA 4 4 51612 5 . DA 5 5 51612 5 . DA 6 6 51612 5 . DU 7 7 51612 5 . DA 8 8 51612 5 . DG 9 9 51612 5 . DT 10 10 51612 5 . DT 11 11 51612 5 . DA 12 12 51612 5 . DC 13 13 51612 5 stop_ save_ save_entity_6 _Entity.Sf_category entity _Entity.Sf_framecode entity_6 _Entity.Entry_ID 51612 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name entity_6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTAACTATTTCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 6 _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 'complement strand pairs A with U' _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 14 DG . 51612 6 2 15 DT . 51612 6 3 16 DA . 51612 6 4 17 DA . 51612 6 5 18 DC . 51612 6 6 19 DT . 51612 6 7 20 DA . 51612 6 8 21 DT . 51612 6 9 22 DT . 51612 6 10 23 DT . 51612 6 11 24 DC . 51612 6 12 25 DA . 51612 6 13 26 DC . 51612 6 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 . DG 1 1 51612 6 . DT 2 2 51612 6 . DA 3 3 51612 6 . DA 4 4 51612 6 . DC 5 5 51612 6 . DT 6 6 51612 6 . DA 7 7 51612 6 . DT 8 8 51612 6 . DT 9 9 51612 6 . DT 10 10 51612 6 . DC 11 11 51612 6 . DA 12 12 51612 6 . DC 13 13 51612 6 stop_ save_ save_entity_7 _Entity.Sf_category entity _Entity.Sf_framecode entity_7 _Entity.Entry_ID 51612 _Entity.ID 7 _Entity.BMRB_code . _Entity.Name entity_7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGAATUTGTTAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 7 _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 'complement strand pairs A with U' _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 . DG . 51612 7 2 1 DT . 51612 7 3 2 DG . 51612 7 4 3 DA . 51612 7 5 4 DA . 51612 7 6 5 DT . 51612 7 7 6 DU . 51612 7 8 7 DT . 51612 7 9 8 DG . 51612 7 10 9 DT . 51612 7 11 10 DT . 51612 7 12 11 DA . 51612 7 13 12 DC . 51612 7 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 . DG 1 1 51612 7 . DT 2 2 51612 7 . DG 3 3 51612 7 . DA 4 4 51612 7 . DA 5 5 51612 7 . DT 6 6 51612 7 . DU 7 7 51612 7 . DT 8 8 51612 7 . DG 9 9 51612 7 . DT 10 10 51612 7 . DT 11 11 51612 7 . DA 12 12 51612 7 . DC 13 13 51612 7 stop_ save_ save_entity_8 _Entity.Sf_category entity _Entity.Sf_framecode entity_8 _Entity.Entry_ID 51612 _Entity.ID 8 _Entity.BMRB_code . _Entity.Name entity_8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTAACAAATTCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 8 _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 'complement strand pairs A with U' _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 14 DG . 51612 8 2 15 DT . 51612 8 3 16 DA . 51612 8 4 17 DA . 51612 8 5 18 DC . 51612 8 6 19 DA . 51612 8 7 20 DA . 51612 8 8 21 DA . 51612 8 9 22 DT . 51612 8 10 23 DT . 51612 8 11 24 DC . 51612 8 12 25 DA . 51612 8 13 26 DC . 51612 8 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 . DG 1 1 51612 8 . DT 2 2 51612 8 . DA 3 3 51612 8 . DA 4 4 51612 8 . DC 5 5 51612 8 . DA 6 6 51612 8 . DA 7 7 51612 8 . DA 8 8 51612 8 . DT 9 9 51612 8 . DT 10 10 51612 8 . DC 11 11 51612 8 . DA 12 12 51612 8 . DC 13 13 51612 8 stop_ save_ save_entity_9 _Entity.Sf_category entity _Entity.Sf_framecode entity_9 _Entity.Entry_ID 51612 _Entity.ID 9 _Entity.BMRB_code . _Entity.Name entity_9 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGCAAUTATGAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 9 _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 'complement strand pairs A with U' _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 . DG . 51612 9 2 1 DT . 51612 9 3 2 DG . 51612 9 4 3 DC . 51612 9 5 4 DA . 51612 9 6 5 DA . 51612 9 7 6 DU . 51612 9 8 7 DT . 51612 9 9 8 DA . 51612 9 10 9 DT . 51612 9 11 10 DG . 51612 9 12 11 DA . 51612 9 13 12 DC . 51612 9 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 . DG 1 1 51612 9 . DT 2 2 51612 9 . DG 3 3 51612 9 . DC 4 4 51612 9 . DA 5 5 51612 9 . DA 6 6 51612 9 . DU 7 7 51612 9 . DT 8 8 51612 9 . DA 9 9 51612 9 . DT 10 10 51612 9 . DG 11 11 51612 9 . DA 12 12 51612 9 . DC 13 13 51612 9 stop_ save_ save_entity_10 _Entity.Sf_category entity _Entity.Sf_framecode entity_10 _Entity.Entry_ID 51612 _Entity.ID 10 _Entity.BMRB_code . _Entity.Name entity_10 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTCATAATTGCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'complement strand pairs A with U' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 10 _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 'complement strand pairs A with U' _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 14 DG . 51612 10 2 15 DT . 51612 10 3 16 DC . 51612 10 4 17 DA . 51612 10 5 18 DT . 51612 10 6 19 DA . 51612 10 7 20 DA . 51612 10 8 21 DT . 51612 10 9 22 DT . 51612 10 10 23 DG . 51612 10 11 24 DC . 51612 10 12 25 DA . 51612 10 13 26 DC . 51612 10 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 . DG 1 1 51612 10 . DT 2 2 51612 10 . DC 3 3 51612 10 . DA 4 4 51612 10 . DT 5 5 51612 10 . DA 6 6 51612 10 . DA 7 7 51612 10 . DT 8 8 51612 10 . DT 9 9 51612 10 . DG 10 10 51612 10 . DC 11 11 51612 10 . DA 12 12 51612 10 . DC 13 13 51612 10 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51612 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 2 2 $entity_2 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 3 3 $entity_3 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 4 4 $entity_4 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 5 5 $entity_5 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 6 6 $entity_6 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 7 7 $entity_7 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 8 8 $entity_8 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 9 9 $entity_9 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 10 10 $entity_10 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51612 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51612 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 2 2 $entity_2 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 3 3 $entity_3 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 4 4 $entity_4 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 5 5 $entity_5 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 6 6 $entity_6 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 7 7 $entity_7 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 8 8 $entity_8 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 9 9 $entity_9 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 10 10 $entity_10 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51612 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51612 _Sample.ID 1 _Sample.Name 4AT _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 4ATF 'natural abundance' . . 1 $entity_1 . . 3 2 4 mM . . . . 51612 1 2 4ATR 'natural abundance' . . 2 $entity_2 . . 3 2 4 mM . . . . 51612 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51612 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51612 1 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 51612 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51612 _Sample.ID 2 _Sample.Name 4TA _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 4TAF 'natural abundance' . . 3 $entity_3 . . 3 2 4 mM . . . . 51612 2 2 4TAR 'natural abundance' . . 4 $entity_4 . . 3 2 4 mM . . . . 51612 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51612 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51612 2 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 51612 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51612 _Sample.ID 3 _Sample.Name 4AA _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 4AAF 'natural abundance' . . 5 $entity_5 . . 3 2 4 mM . . . . 51612 3 2 4AAR 'natural abundance' . . 6 $entity_6 . . 3 2 4 mM . . . . 51612 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51612 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51612 3 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 51612 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51612 _Sample.ID 4 _Sample.Name 4TT _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 4TTF 'natural abundance' . . 7 $entity_7 . . 3 2 4 mM . . . . 51612 4 2 4TTR 'natural abundance' . . 8 $entity_8 . . 3 2 4 mM . . . . 51612 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51612 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51612 4 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 51612 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51612 _Sample.ID 5 _Sample.Name 1AT _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 1ATF 'natural abundance' . . 9 $entity_9 . . 3 2 4 mM . . . . 51612 5 2 1ATR 'natural abundance' . . 10 $entity_10 . . 3 2 4 mM . . . . 51612 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51612 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51612 5 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 51612 5 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 51612 _Sample_condition_list.ID 1 _Sample_condition_list.Name 4AT _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 7.0 . pH 51612 1 temperature 293.15 . K 51612 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51612 _Sample_condition_list.ID 2 _Sample_condition_list.Name 4TA _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 7.0 . pH 51612 2 temperature 293.15 . K 51612 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 51612 _Sample_condition_list.ID 3 _Sample_condition_list.Name 4AA _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 7.0 . pH 51612 3 temperature 293.15 . K 51612 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 51612 _Sample_condition_list.ID 4 _Sample_condition_list.Name 4TT _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 7.0 . pH 51612 4 temperature 293.15 . K 51612 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 51612 _Sample_condition_list.ID 5 _Sample_condition_list.Name 1AT _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 7.0 . pH 51612 5 temperature 293.15 . K 51612 5 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51612 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51612 1 collection . 51612 1 processing . 51612 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51612 _Software.ID 2 _Software.Type . _Software.Name MATLAB _Software.Version 2019b _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51612 2 processing . 51612 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51612 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 850 MHz Avance III HD spectrometer' _NMR_spectrometer.Details 'Equipped with 5 mm TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51612 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600 MHz Avance III HD spectrometer' _NMR_spectrometer.Details 'Equipped with Prodigy probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51612 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51612 1 2 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51612 1 3 '2D 1H-1H NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51612 1 4 '2D 1H-1H NOESY' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51612 1 5 '2D 1H-1H NOESY' no no no . . . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51612 1 6 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . t1irexsp_AI.mv 51612 1 7 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . t1irexsp_AI.mv 51612 1 8 'T1/R1 relaxation' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . t1irexsp_AI.mv 51612 1 9 'T1/R1 relaxation' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . t1irexsp_AI.mv 51612 1 10 'T1/R1 relaxation' no no no . . . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . t1irexsp_AI.mv 51612 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-1H NOESY' 4AT.zip . 'Time-domain (raw spectral data)' . . 51612 1 2 '2D 1H-1H NOESY' 4TA.zip . 'Time-domain (raw spectral data)' . . 51612 1 3 '2D 1H-1H NOESY' 4AA.zip . 'Time-domain (raw spectral data)' . . 51612 1 4 '2D 1H-1H NOESY' 4TT.zip . 'Time-domain (raw spectral data)' . . 51612 1 5 '2D 1H-1H NOESY' 1AT.zip . 'Time-domain (raw spectral data)' . . 51612 1 6 'T1/R1 relaxation' 4AT.zip . 'Time-domain (raw spectral data)' . . 51612 1 7 'T1/R1 relaxation' 4TA.zip . 'Time-domain (raw spectral data)' . . 51612 1 8 'T1/R1 relaxation' 4AA.zip . 'Time-domain (raw spectral data)' . . 51612 1 9 'T1/R1 relaxation' 4TT.zip . 'Time-domain (raw spectral data)' . . 51612 1 10 'T1/R1 relaxation' 1AT.zip . 'Time-domain (raw spectral data)' . . 51612 1 stop_ save_ ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_1 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_1 _H_exch_rate_list.Entry_ID 51612 _H_exch_rate_list.ID 1 _H_exch_rate_list.Name kex.str _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'sample conditions were the same for all samples except for the sample name' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 1 '2D 1H-1H NOESY' . . . 51612 1 6 'T1/R1 relaxation' . . . 51612 1 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 1 $software_1 . . 51612 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 3 3 DG H H 1 1.03 0.88 1.17 0.15 . . 2 DG H 51612 1 2 . 1 1 7 7 DU H H 1 1.15 0.93 1.37 0.22 . . 6 DU H 51612 1 3 . 1 1 8 8 DT H H 1 0.57 0.47 0.66 0.09 . . 7 DT H 51612 1 4 . 1 1 9 9 DG H H 1 1.02 0.90 1.14 0.12 . . 8 DG H 51612 1 5 . 2 2 9 9 DT H H 1 0.50 0.33 0.66 0.16 . . 22 DT H 51612 1 6 . 2 2 8 8 DT H H 1 0.81 0.75 0.86 0.06 . . 21 DT H 51612 1 7 . 2 2 7 7 DA H H 1 0.52 0.40 0.64 0.12 . . 20 DT H 51612 1 stop_ save_ save_H_exch_rates_2 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_2 _H_exch_rate_list.Entry_ID 51612 _H_exch_rate_list.ID 2 _H_exch_rate_list.Name kex.str _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'sample conditions were the same for all samples except for the sample name' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 2 '2D 1H-1H NOESY' . . . 51612 2 7 'T1/R1 relaxation' . . . 51612 2 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 1 $software_1 . . 51612 2 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 3 3 3 3 DG H H 1 1.06 0.96 1.16 0.10 . . 2 DG H 51612 2 2 . 3 3 7 7 DU H H 1 3.32 3.00 3.63 0.31 . . 6 DU H 51612 2 3 . 3 3 9 9 DG H H 1 0.79 0.74 0.85 0.06 . . 8 DG H 51612 2 4 . 4 4 5 5 DC H H 1 1.91 1.72 2.09 0.18 . . 18 DT H 51612 2 5 . 4 4 9 9 DT H H 1 2.93 1.81 4.04 1.11 . . 22 DT H 51612 2 6 . 4 4 8 8 DA H H 1 0.82 0.77 0.88 0.06 . . 21 DT H 51612 2 7 . 4 4 7 7 DA H H 1 1.17 0.95 1.38 0.22 . . 20 DT H 51612 2 stop_ save_ save_H_exch_rates_3 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_3 _H_exch_rate_list.Entry_ID 51612 _H_exch_rate_list.ID 3 _H_exch_rate_list.Name kex.str _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'sample conditions were the same for all samples except for the sample name' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 3 '2D 1H-1H NOESY' . . . 51612 3 8 'T1/R1 relaxation' . . . 51612 3 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 1 $software_1 . . 51612 3 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 5 5 3 3 DG H H 1 1.16 1.05 1.27 0.11 . . 2 DG H 51612 3 2 . 5 5 6 6 DA H H 1 1.34 1.04 1.63 0.30 . . 5 DT H 51612 3 3 . 5 5 7 7 DU H H 1 10.24 9.49 10.99 0.75 . . 6 DU H 51612 3 4 . 5 5 9 9 DG H H 1 0.94 0.84 1.05 0.10 . . 8 DG H 51612 3 5 . 5 5 10 10 DT H H 1 1.60 1.41 1.79 0.19 . . 9 DT H 51612 3 6 . 6 6 5 5 DC H H 1 1.68 1.54 1.83 0.15 . . 18 DT H 51612 3 7 . 6 6 9 9 DT H H 1 1.19 0.99 1.39 0.20 . . 22 DT H 51612 3 8 . 6 6 8 8 DT H H 1 0.99 0.84 1.14 0.15 . . 21 DT H 51612 3 stop_ save_ save_H_exch_rates_4 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_4 _H_exch_rate_list.Entry_ID 51612 _H_exch_rate_list.ID 4 _H_exch_rate_list.Name kex.str _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'sample conditions were the same for all samples except for the sample name' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 4 '2D 1H-1H NOESY' . . . 51612 4 9 'T1/R1 relaxation' . . . 51612 4 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 1 $software_1 . . 51612 4 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 7 7 3 3 DG H H 1 0.85 0.76 0.95 0.09 . . 2 DG H 51612 4 2 . 7 7 6 6 DT H H 1 0.67 0.63 0.71 0.04 . . 5 DT H 51612 4 3 . 7 7 7 7 DU H H 1 0.70 0.63 0.78 0.08 . . 6 DU H 51612 4 4 . 7 7 8 8 DT H H 1 0.78 0.51 1.05 0.27 . . 7 DT H 51612 4 5 . 7 7 9 9 DG H H 1 0.80 0.70 0.89 0.09 . . 8 DG H 51612 4 6 . 7 7 10 10 DT H H 1 1.49 1.32 1.66 0.17 . . 9 DT H 51612 4 7 . 8 8 9 9 DT H H 1 0.89 0.72 1.07 0.17 . . 22 DT H 51612 4 8 . 8 8 8 8 DA H H 1 0.67 0.58 0.76 0.09 . . 21 DT H 51612 4 stop_ save_ save_H_exch_rates_5 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_5 _H_exch_rate_list.Entry_ID 51612 _H_exch_rate_list.ID 5 _H_exch_rate_list.Name kex.str _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'sample conditions were the same for all samples except for the sample name' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 10 'T1/R1 relaxation' . . . 51612 5 5 '2D 1H-1H NOESY' . . . 51612 5 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 1 $software_1 . . 51612 5 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 9 9 3 3 DG H H 1 1.02 0.92 1.13 0.11 . . 2 DG H 51612 5 2 . 9 9 7 7 DU H H 1 3.90 3.02 4.77 0.88 . . 6 DU H 51612 5 3 . 9 9 8 8 DT H H 1 1.32 1.20 1.44 0.12 . . 7 DT H 51612 5 4 . 9 9 10 10 DT H H 1 1.08 1.01 1.15 0.07 . . 9 DT H 51612 5 5 . 9 9 11 11 DG H H 1 1.29 1.17 1.42 0.13 . . 10 DG H 51612 5 6 . 10 10 4 4 DA H H 1 1.56 1.41 1.72 0.15 . . 17 DT H 51612 5 7 . 10 10 9 9 DT H H 1 0.89 0.78 1.01 0.11 . . 22 DG H 51612 5 8 . 10 10 8 8 DT H H 1 0.63 0.49 0.77 0.14 . . 21 DT H 51612 5 stop_ save_