data_53298 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53298 _Entry.Title ; 15N-Relaxation data for the N-terminal region (residues 1-132) of the human DEAD-box RNA helicase DDX3X FYtoA variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-07-31 _Entry.Accession_date 2025-07-31 _Entry.Last_release_date 2025-07-31 _Entry.Original_release_date 2025-07-31 _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 'This entry includes 15N R1/R2 relaxation rates and 1H-15N heteronuclear NOE values. A uniformly 15N-labeled sample was used.' _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 Yuki Toyama . . . 0000-0003-0457-678X 53298 2 Koh Takeuchi . . . 0000-0002-6227-4627 53298 3 Ichio Shimada . . . 0000-0001-5168-8894 53298 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 53298 heteronucl_T1_relaxation 1 53298 heteronucl_T2_relaxation 1 53298 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 89 53298 'T2 relaxation values' 89 53298 'heteronuclear NOE values' 89 53298 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 . . 2026-06-06 . original BMRB . 53298 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52740 ; 1H, 15N, and 13C chemical shift assignments for the N-terminal region (residues 1-132) of the human DEAD-box RNA helicase DDX3X FYtoA variant ; 53298 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53298 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42159288 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phase Separation Driven by Dynamic Interactions in the N-Terminal Intrinsically Disordered Region of the DEAD-Box RNA Helicase DDX3X ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 148 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 21313 _Citation.Page_last 21331 _Citation.Year 2026 _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 Yuki Toyama Y. . . . 53298 1 2 Shinichiro Inakami S. . . . 53298 1 3 Masaharu Takarada M. . . . 53298 1 4 Kohki Okabe K. . . . 53298 1 5 Koh Takeuchi K. . . . 53298 1 6 Ichio Shimada I. . . . 53298 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53298 _Assembly.ID 1 _Assembly.Name N-IDR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 N-IDR 1 $entity_1 . . yes native no no . . . 53298 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53298 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MSHVAVENALGLDQQFAGLD LNSSDNQSGGSTASKGRAIP PHLRNREATKGFYDKDSSGW SSSKDKDAYSSFGSRSDSRG KSSFFSDRGSGSRGRADDRG RSDYDGIGSRGDRSGAGKAE RGGNSRWCDKSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Y38A, F96A, F116A, and F119A variant' _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP O00571 . 'ATP-dependent RNA helicase DDX3X' . . . . . . . . . . . . . . 53298 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53298 1 2 . SER . 53298 1 3 . HIS . 53298 1 4 . VAL . 53298 1 5 . ALA . 53298 1 6 . VAL . 53298 1 7 . GLU . 53298 1 8 . ASN . 53298 1 9 . ALA . 53298 1 10 . LEU . 53298 1 11 . GLY . 53298 1 12 . LEU . 53298 1 13 . ASP . 53298 1 14 . GLN . 53298 1 15 . GLN . 53298 1 16 . PHE . 53298 1 17 . ALA . 53298 1 18 . GLY . 53298 1 19 . LEU . 53298 1 20 . ASP . 53298 1 21 . LEU . 53298 1 22 . ASN . 53298 1 23 . SER . 53298 1 24 . SER . 53298 1 25 . ASP . 53298 1 26 . ASN . 53298 1 27 . GLN . 53298 1 28 . SER . 53298 1 29 . GLY . 53298 1 30 . GLY . 53298 1 31 . SER . 53298 1 32 . THR . 53298 1 33 . ALA . 53298 1 34 . SER . 53298 1 35 . LYS . 53298 1 36 . GLY . 53298 1 37 . ARG . 53298 1 38 . ALA . 53298 1 39 . ILE . 53298 1 40 . PRO . 53298 1 41 . PRO . 53298 1 42 . HIS . 53298 1 43 . LEU . 53298 1 44 . ARG . 53298 1 45 . ASN . 53298 1 46 . ARG . 53298 1 47 . GLU . 53298 1 48 . ALA . 53298 1 49 . THR . 53298 1 50 . LYS . 53298 1 51 . GLY . 53298 1 52 . PHE . 53298 1 53 . TYR . 53298 1 54 . ASP . 53298 1 55 . LYS . 53298 1 56 . ASP . 53298 1 57 . SER . 53298 1 58 . SER . 53298 1 59 . GLY . 53298 1 60 . TRP . 53298 1 61 . SER . 53298 1 62 . SER . 53298 1 63 . SER . 53298 1 64 . LYS . 53298 1 65 . ASP . 53298 1 66 . LYS . 53298 1 67 . ASP . 53298 1 68 . ALA . 53298 1 69 . TYR . 53298 1 70 . SER . 53298 1 71 . SER . 53298 1 72 . PHE . 53298 1 73 . GLY . 53298 1 74 . SER . 53298 1 75 . ARG . 53298 1 76 . SER . 53298 1 77 . ASP . 53298 1 78 . SER . 53298 1 79 . ARG . 53298 1 80 . GLY . 53298 1 81 . LYS . 53298 1 82 . SER . 53298 1 83 . SER . 53298 1 84 . PHE . 53298 1 85 . PHE . 53298 1 86 . SER . 53298 1 87 . ASP . 53298 1 88 . ARG . 53298 1 89 . GLY . 53298 1 90 . SER . 53298 1 91 . GLY . 53298 1 92 . SER . 53298 1 93 . ARG . 53298 1 94 . GLY . 53298 1 95 . ARG . 53298 1 96 . ALA . 53298 1 97 . ASP . 53298 1 98 . ASP . 53298 1 99 . ARG . 53298 1 100 . GLY . 53298 1 101 . ARG . 53298 1 102 . SER . 53298 1 103 . ASP . 53298 1 104 . TYR . 53298 1 105 . ASP . 53298 1 106 . GLY . 53298 1 107 . ILE . 53298 1 108 . GLY . 53298 1 109 . SER . 53298 1 110 . ARG . 53298 1 111 . GLY . 53298 1 112 . ASP . 53298 1 113 . ARG . 53298 1 114 . SER . 53298 1 115 . GLY . 53298 1 116 . ALA . 53298 1 117 . GLY . 53298 1 118 . LYS . 53298 1 119 . ALA . 53298 1 120 . GLU . 53298 1 121 . ARG . 53298 1 122 . GLY . 53298 1 123 . GLY . 53298 1 124 . ASN . 53298 1 125 . SER . 53298 1 126 . ARG . 53298 1 127 . TRP . 53298 1 128 . CYS . 53298 1 129 . ASP . 53298 1 130 . LYS . 53298 1 131 . SER . 53298 1 132 . ASP . 53298 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53298 1 . SER 2 2 53298 1 . HIS 3 3 53298 1 . VAL 4 4 53298 1 . ALA 5 5 53298 1 . VAL 6 6 53298 1 . GLU 7 7 53298 1 . ASN 8 8 53298 1 . ALA 9 9 53298 1 . LEU 10 10 53298 1 . GLY 11 11 53298 1 . LEU 12 12 53298 1 . ASP 13 13 53298 1 . GLN 14 14 53298 1 . GLN 15 15 53298 1 . PHE 16 16 53298 1 . ALA 17 17 53298 1 . GLY 18 18 53298 1 . LEU 19 19 53298 1 . ASP 20 20 53298 1 . LEU 21 21 53298 1 . ASN 22 22 53298 1 . SER 23 23 53298 1 . SER 24 24 53298 1 . ASP 25 25 53298 1 . ASN 26 26 53298 1 . GLN 27 27 53298 1 . SER 28 28 53298 1 . GLY 29 29 53298 1 . GLY 30 30 53298 1 . SER 31 31 53298 1 . THR 32 32 53298 1 . ALA 33 33 53298 1 . SER 34 34 53298 1 . LYS 35 35 53298 1 . GLY 36 36 53298 1 . ARG 37 37 53298 1 . ALA 38 38 53298 1 . ILE 39 39 53298 1 . PRO 40 40 53298 1 . PRO 41 41 53298 1 . HIS 42 42 53298 1 . LEU 43 43 53298 1 . ARG 44 44 53298 1 . ASN 45 45 53298 1 . ARG 46 46 53298 1 . GLU 47 47 53298 1 . ALA 48 48 53298 1 . THR 49 49 53298 1 . LYS 50 50 53298 1 . GLY 51 51 53298 1 . PHE 52 52 53298 1 . TYR 53 53 53298 1 . ASP 54 54 53298 1 . LYS 55 55 53298 1 . ASP 56 56 53298 1 . SER 57 57 53298 1 . SER 58 58 53298 1 . GLY 59 59 53298 1 . TRP 60 60 53298 1 . SER 61 61 53298 1 . SER 62 62 53298 1 . SER 63 63 53298 1 . LYS 64 64 53298 1 . ASP 65 65 53298 1 . LYS 66 66 53298 1 . ASP 67 67 53298 1 . ALA 68 68 53298 1 . TYR 69 69 53298 1 . SER 70 70 53298 1 . SER 71 71 53298 1 . PHE 72 72 53298 1 . GLY 73 73 53298 1 . SER 74 74 53298 1 . ARG 75 75 53298 1 . SER 76 76 53298 1 . ASP 77 77 53298 1 . SER 78 78 53298 1 . ARG 79 79 53298 1 . GLY 80 80 53298 1 . LYS 81 81 53298 1 . SER 82 82 53298 1 . SER 83 83 53298 1 . PHE 84 84 53298 1 . PHE 85 85 53298 1 . SER 86 86 53298 1 . ASP 87 87 53298 1 . ARG 88 88 53298 1 . GLY 89 89 53298 1 . SER 90 90 53298 1 . GLY 91 91 53298 1 . SER 92 92 53298 1 . ARG 93 93 53298 1 . GLY 94 94 53298 1 . ARG 95 95 53298 1 . ALA 96 96 53298 1 . ASP 97 97 53298 1 . ASP 98 98 53298 1 . ARG 99 99 53298 1 . GLY 100 100 53298 1 . ARG 101 101 53298 1 . SER 102 102 53298 1 . ASP 103 103 53298 1 . TYR 104 104 53298 1 . ASP 105 105 53298 1 . GLY 106 106 53298 1 . ILE 107 107 53298 1 . GLY 108 108 53298 1 . SER 109 109 53298 1 . ARG 110 110 53298 1 . GLY 111 111 53298 1 . ASP 112 112 53298 1 . ARG 113 113 53298 1 . SER 114 114 53298 1 . GLY 115 115 53298 1 . ALA 116 116 53298 1 . GLY 117 117 53298 1 . LYS 118 118 53298 1 . ALA 119 119 53298 1 . GLU 120 120 53298 1 . ARG 121 121 53298 1 . GLY 122 122 53298 1 . GLY 123 123 53298 1 . ASN 124 124 53298 1 . SER 125 125 53298 1 . ARG 126 126 53298 1 . TRP 127 127 53298 1 . CYS 128 128 53298 1 . ASP 129 129 53298 1 . LYS 130 130 53298 1 . SER 131 131 53298 1 . ASP 132 132 53298 1 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 53298 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53298 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 53298 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-SUMO . . . 53298 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53298 _Sample.ID 1 _Sample.Name 'u-15N N-IDR' _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53298 1 2 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 53298 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 53298 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 53298 1 5 N-IDR '[U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 53298 1 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 53298 _Sample_condition_list.ID 1 _Sample_condition_list.Name N-IDR _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 53298 1 pressure 1 . atm 53298 1 temperature 283.15 . K 53298 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53298 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53298 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53298 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 11.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53298 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53298 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53298 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53298 _Software.ID 4 _Software.Type . _Software.Name peakipy _Software.Version 0.1.30 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53298 4 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 53298 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '1 GHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 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 53298 _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 'T1rho/R1rho relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '15N R1rho relaxation measurement' 53298 1 2 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '15N R1 relaxation measurement' 53298 1 3 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '1H-15N heteronuclear NOE' 53298 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 53298 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'hetNOE u-15N' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1000 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 53298 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 53298 1 2 $software_2 . . 53298 1 3 $software_3 . . 53298 1 4 $software_4 . . 53298 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 HIS N N 15 . 1 1 3 3 HIS H H 1 0.200920967 0.005941326 . . . . . . . . . . 53298 1 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.416422209 0.011145722 . . . . . . . . . . 53298 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.389546418 0.006670766 . . . . . . . . . . 53298 1 4 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.505611682 0.008877889 . . . . . . . . . . 53298 1 5 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.454769558 0.022455772 . . . . . . . . . . 53298 1 6 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.442230486 0.008281149 . . . . . . . . . . 53298 1 7 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.537073551 0.010194155 . . . . . . . . . . 53298 1 8 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.571530621 0.011088986 . . . . . . . . . . 53298 1 9 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.500533253 0.021531843 . . . . . . . . . . 53298 1 10 . 1 1 15 15 GLN N N 15 . 1 1 15 15 GLN H H 1 0.553801782 0.017361277 . . . . . . . . . . 53298 1 11 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.585602794 0.009960488 . . . . . . . . . . 53298 1 12 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.473800718 0.00759587 . . . . . . . . . . 53298 1 13 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.468585835 0.007281788 . . . . . . . . . . 53298 1 14 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.513205943 0.009611598 . . . . . . . . . . 53298 1 15 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.577120219 0.011998237 . . . . . . . . . . 53298 1 16 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.477018322 0.007899826 . . . . . . . . . . 53298 1 17 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.559133777 0.010815337 . . . . . . . . . . 53298 1 18 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.514910395 0.00911957 . . . . . . . . . . 53298 1 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.432923197 0.019940188 . . . . . . . . . . 53298 1 20 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.43413998 0.014269933 . . . . . . . . . . 53298 1 21 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.445184198 0.006814053 . . . . . . . . . . 53298 1 22 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.489616761 0.009082769 . . . . . . . . . . 53298 1 23 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.399743896 0.005717515 . . . . . . . . . . 53298 1 24 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.434501264 0.016331772 . . . . . . . . . . 53298 1 25 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.548202995 0.00859947 . . . . . . . . . . 53298 1 26 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.44608197 0.006220973 . . . . . . . . . . 53298 1 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.47530405 0.012820627 . . . . . . . . . . 53298 1 28 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.471674965 0.012806708 . . . . . . . . . . 53298 1 29 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.442680654 0.0081235 . . . . . . . . . . 53298 1 30 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.471500997 0.008050997 . . . . . . . . . . 53298 1 31 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.654952203 0.01416179 . . . . . . . . . . 53298 1 32 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.534714874 0.032643356 . . . . . . . . . . 53298 1 33 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.594994184 0.010807424 . . . . . . . . . . 53298 1 34 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.618383024 0.013338986 . . . . . . . . . . 53298 1 35 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.575173168 0.008958736 . . . . . . . . . . 53298 1 36 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.599407875 0.011730092 . . . . . . . . . . 53298 1 37 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.528438975 0.013743535 . . . . . . . . . . 53298 1 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.677179411 0.012771606 . . . . . . . . . . 53298 1 39 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.551048069 0.021850442 . . . . . . . . . . 53298 1 40 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.631286907 0.016413395 . . . . . . . . . . 53298 1 41 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.586345036 0.012056 . . . . . . . . . . 53298 1 42 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.586597736 0.008252351 . . . . . . . . . . 53298 1 43 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.717751462 0.013131033 . . . . . . . . . . 53298 1 44 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.673724998 0.013622967 . . . . . . . . . . 53298 1 45 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.548939706 0.011338992 . . . . . . . . . . 53298 1 46 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.659147908 0.01276406 . . . . . . . . . . 53298 1 47 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.646350985 0.014594882 . . . . . . . . . . 53298 1 48 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.652906189 0.02368991 . . . . . . . . . . 53298 1 49 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.649751238 0.009674124 . . . . . . . . . . 53298 1 50 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.636453718 0.008960603 . . . . . . . . . . 53298 1 51 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.625698584 0.009063164 . . . . . . . . . . 53298 1 52 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.639492136 0.011303367 . . . . . . . . . . 53298 1 53 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.577176156 0.008029968 . . . . . . . . . . 53298 1 54 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.663107193 0.008857641 . . . . . . . . . . 53298 1 55 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.606452321 0.031963963 . . . . . . . . . . 53298 1 56 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.574424002 0.011737069 . . . . . . . . . . 53298 1 57 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.620986314 0.011180944 . . . . . . . . . . 53298 1 58 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.658674754 0.011071785 . . . . . . . . . . 53298 1 59 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.596717282 0.011078155 . . . . . . . . . . 53298 1 60 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.543185327 0.031207887 . . . . . . . . . . 53298 1 61 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.577809337 0.021946621 . . . . . . . . . . 53298 1 62 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.541723205 0.007651249 . . . . . . . . . . 53298 1 63 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.639438514 0.011758853 . . . . . . . . . . 53298 1 64 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.49648099 0.011600614 . . . . . . . . . . 53298 1 65 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.593011102 0.02441272 . . . . . . . . . . 53298 1 66 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.555355437 0.007951952 . . . . . . . . . . 53298 1 67 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.659893895 0.011562421 . . . . . . . . . . 53298 1 68 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.585128838 0.010418235 . . . . . . . . . . 53298 1 69 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.552955029 0.031399815 . . . . . . . . . . 53298 1 70 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.556443355 0.010055686 . . . . . . . . . . 53298 1 71 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.629771197 0.01399924 . . . . . . . . . . 53298 1 72 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.614299225 0.011486703 . . . . . . . . . . 53298 1 73 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.67252155 0.028653031 . . . . . . . . . . 53298 1 74 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.632513621 0.010648999 . . . . . . . . . . 53298 1 75 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.640207635 0.012157909 . . . . . . . . . . 53298 1 76 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.484607581 0.016328011 . . . . . . . . . . 53298 1 77 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.446730871 0.007248782 . . . . . . . . . . 53298 1 78 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.624588908 0.009385953 . . . . . . . . . . 53298 1 79 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.550841293 0.008903627 . . . . . . . . . . 53298 1 80 . 1 1 119 119 ALA N N 15 . 1 1 119 119 ALA H H 1 0.495268958 0.011592094 . . . . . . . . . . 53298 1 81 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.521446903 0.020438964 . . . . . . . . . . 53298 1 82 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.508958194 0.012629044 . . . . . . . . . . 53298 1 83 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.525595251 0.010209907 . . . . . . . . . . 53298 1 84 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.480746069 0.008464066 . . . . . . . . . . 53298 1 85 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.512329456 0.024191382 . . . . . . . . . . 53298 1 86 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.585613295 0.009954436 . . . . . . . . . . 53298 1 87 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.601441674 0.013486818 . . . . . . . . . . 53298 1 88 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.338793061 0.009229421 . . . . . . . . . . 53298 1 89 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.168864348 0.006011474 . . . . . . . . . . 53298 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 53298 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name '15N R1 u-15N' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 1000 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _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 2 'T1/R1 relaxation' . . . 53298 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 53298 1 2 $software_2 . . 53298 1 3 $software_3 . . 53298 1 4 $software_4 . . 53298 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 3 3 HIS N N 15 1.375507468 0.016431629 . . . . . 53298 1 2 . 1 1 4 4 VAL N N 15 1.433389804 0.017888983 . . . . . 53298 1 3 . 1 1 5 5 ALA N N 15 1.529545684 0.008224417 . . . . . 53298 1 4 . 1 1 7 7 GLU N N 15 1.541806168 0.014838257 . . . . . 53298 1 5 . 1 1 8 8 ASN N N 15 1.542463938 0.011076622 . . . . . 53298 1 6 . 1 1 9 9 ALA N N 15 1.47486383 0.018745882 . . . . . 53298 1 7 . 1 1 11 11 GLY N N 15 1.485708538 0.012431517 . . . . . 53298 1 8 . 1 1 12 12 LEU N N 15 1.532583548 0.008995641 . . . . . 53298 1 9 . 1 1 13 13 ASP N N 15 1.510687535 0.019261948 . . . . . 53298 1 10 . 1 1 15 15 GLN N N 15 1.513131326 0.011426843 . . . . . 53298 1 11 . 1 1 17 17 ALA N N 15 1.485804953 0.014082538 . . . . . 53298 1 12 . 1 1 18 18 GLY N N 15 1.380548762 0.012908447 . . . . . 53298 1 13 . 1 1 20 20 ASP N N 15 1.4636615 0.009447401 . . . . . 53298 1 14 . 1 1 22 22 ASN N N 15 1.508449457 0.007563133 . . . . . 53298 1 15 . 1 1 23 23 SER N N 15 1.466727883 0.018605715 . . . . . 53298 1 16 . 1 1 24 24 SER N N 15 1.498103744 0.014846963 . . . . . 53298 1 17 . 1 1 25 25 ASP N N 15 1.577928956 0.008206714 . . . . . 53298 1 18 . 1 1 26 26 ASN N N 15 1.505029698 0.010055162 . . . . . 53298 1 19 . 1 1 27 27 GLN N N 15 1.498011073 0.009807804 . . . . . 53298 1 20 . 1 1 28 28 SER N N 15 1.477738243 0.004419231 . . . . . 53298 1 21 . 1 1 29 29 GLY N N 15 1.506389087 0.015936701 . . . . . 53298 1 22 . 1 1 30 30 GLY N N 15 1.478158844 0.026583582 . . . . . 53298 1 23 . 1 1 31 31 SER N N 15 1.44363157 0.007318618 . . . . . 53298 1 24 . 1 1 32 32 THR N N 15 1.504518311 0.008766704 . . . . . 53298 1 25 . 1 1 33 33 ALA N N 15 1.518388983 0.005737549 . . . . . 53298 1 26 . 1 1 34 34 SER N N 15 1.421527759 0.011260039 . . . . . 53298 1 27 . 1 1 35 35 LYS N N 15 1.455089403 0.01219217 . . . . . 53298 1 28 . 1 1 36 36 GLY N N 15 1.450804446 0.010141846 . . . . . 53298 1 29 . 1 1 38 38 ALA N N 15 1.358370699 0.016589246 . . . . . 53298 1 30 . 1 1 42 42 HIS N N 15 1.323815479 0.012387107 . . . . . 53298 1 31 . 1 1 43 43 LEU N N 15 1.302781509 0.019351335 . . . . . 53298 1 32 . 1 1 45 45 ASN N N 15 1.331250326 0.012248261 . . . . . 53298 1 33 . 1 1 47 47 GLU N N 15 1.334373688 0.00815677 . . . . . 53298 1 34 . 1 1 48 48 ALA N N 15 1.335944796 0.019193169 . . . . . 53298 1 35 . 1 1 49 49 THR N N 15 1.253514035 0.010602658 . . . . . 53298 1 36 . 1 1 50 50 LYS N N 15 1.327635759 0.014483762 . . . . . 53298 1 37 . 1 1 51 51 GLY N N 15 1.308944196 0.014798513 . . . . . 53298 1 38 . 1 1 54 54 ASP N N 15 1.340410529 0.024734995 . . . . . 53298 1 39 . 1 1 56 56 ASP N N 15 1.337061647 0.013106897 . . . . . 53298 1 40 . 1 1 57 57 SER N N 15 1.277231939 0.022719625 . . . . . 53298 1 41 . 1 1 58 58 SER N N 15 1.370588279 0.017275222 . . . . . 53298 1 42 . 1 1 59 59 GLY N N 15 1.348546291 0.027507904 . . . . . 53298 1 43 . 1 1 61 61 SER N N 15 1.302131528 0.018968131 . . . . . 53298 1 44 . 1 1 62 62 SER N N 15 1.334422225 0.017934612 . . . . . 53298 1 45 . 1 1 63 63 SER N N 15 1.370489457 0.023075046 . . . . . 53298 1 46 . 1 1 64 64 LYS N N 15 1.357788113 0.017545878 . . . . . 53298 1 47 . 1 1 66 66 LYS N N 15 1.347048389 0.026878743 . . . . . 53298 1 48 . 1 1 67 67 ASP N N 15 1.382800088 0.009457002 . . . . . 53298 1 49 . 1 1 68 68 ALA N N 15 1.312524254 0.007213933 . . . . . 53298 1 50 . 1 1 69 69 TYR N N 15 1.304100556 0.00554921 . . . . . 53298 1 51 . 1 1 70 70 SER N N 15 1.35218676 0.008860255 . . . . . 53298 1 52 . 1 1 71 71 SER N N 15 1.384222481 0.004814815 . . . . . 53298 1 53 . 1 1 73 73 GLY N N 15 1.384068989 0.022767897 . . . . . 53298 1 54 . 1 1 74 74 SER N N 15 1.355443316 0.010394731 . . . . . 53298 1 55 . 1 1 76 76 SER N N 15 1.373982367 0.013482028 . . . . . 53298 1 56 . 1 1 78 78 SER N N 15 1.372110454 0.007972942 . . . . . 53298 1 57 . 1 1 83 83 SER N N 15 1.402362966 0.010040717 . . . . . 53298 1 58 . 1 1 86 86 SER N N 15 1.325606397 0.014005117 . . . . . 53298 1 59 . 1 1 88 88 ARG N N 15 1.373243202 0.010775531 . . . . . 53298 1 60 . 1 1 89 89 GLY N N 15 1.423971195 0.012657219 . . . . . 53298 1 61 . 1 1 90 90 SER N N 15 1.392555168 0.007529034 . . . . . 53298 1 62 . 1 1 91 91 GLY N N 15 1.454704428 0.007455924 . . . . . 53298 1 63 . 1 1 92 92 SER N N 15 1.40088587 0.016149091 . . . . . 53298 1 64 . 1 1 94 94 GLY N N 15 1.423068425 0.014554162 . . . . . 53298 1 65 . 1 1 95 95 ARG N N 15 1.355946242 0.005144881 . . . . . 53298 1 66 . 1 1 96 96 ALA N N 15 1.357658444 0.008646732 . . . . . 53298 1 67 . 1 1 97 97 ASP N N 15 1.349147201 0.01519658 . . . . . 53298 1 68 . 1 1 99 99 ARG N N 15 1.349147592 0.01047455 . . . . . 53298 1 69 . 1 1 100 100 GLY N N 15 1.379895435 0.010587782 . . . . . 53298 1 70 . 1 1 102 102 SER N N 15 1.33834647 0.01707347 . . . . . 53298 1 71 . 1 1 105 105 ASP N N 15 1.379461827 0.014351951 . . . . . 53298 1 72 . 1 1 106 106 GLY N N 15 1.382465466 0.0147205 . . . . . 53298 1 73 . 1 1 107 107 ILE N N 15 1.399253297 0.016434351 . . . . . 53298 1 74 . 1 1 108 108 GLY N N 15 1.42574919 0.020628118 . . . . . 53298 1 75 . 1 1 109 109 SER N N 15 1.425437061 0.010382681 . . . . . 53298 1 76 . 1 1 113 113 ARG N N 15 1.447950867 0.014705786 . . . . . 53298 1 77 . 1 1 115 115 GLY N N 15 1.415729031 0.009574677 . . . . . 53298 1 78 . 1 1 116 116 ALA N N 15 1.466417436 0.010073731 . . . . . 53298 1 79 . 1 1 117 117 GLY N N 15 1.462761024 0.014899944 . . . . . 53298 1 80 . 1 1 119 119 ALA N N 15 1.469401825 0.013623007 . . . . . 53298 1 81 . 1 1 121 121 ARG N N 15 1.504426364 0.021909206 . . . . . 53298 1 82 . 1 1 122 122 GLY N N 15 1.490450002 0.020972063 . . . . . 53298 1 83 . 1 1 123 123 GLY N N 15 1.482900864 0.014587744 . . . . . 53298 1 84 . 1 1 124 124 ASN N N 15 1.490235445 0.017692032 . . . . . 53298 1 85 . 1 1 125 125 SER N N 15 1.476655 0.017540005 . . . . . 53298 1 86 . 1 1 128 128 CYS N N 15 1.576866119 0.020497416 . . . . . 53298 1 87 . 1 1 129 129 ASP N N 15 1.566292787 0.017507492 . . . . . 53298 1 88 . 1 1 131 131 SER N N 15 1.44538114 0.01022672 . . . . . 53298 1 89 . 1 1 132 132 ASP N N 15 1.255279419 0.02195892 . . . . . 53298 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 53298 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name '15N R2 u-15N' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 1000 _Heteronucl_T2_list.T2_coherence_type N(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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 'T1rho/R1rho relaxation' . . . 53298 1 2 'T1/R1 relaxation' . . . 53298 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 53298 1 2 $software_2 . . 53298 1 3 $software_3 . . 53298 1 4 $software_4 . . 53298 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 3 3 HIS N N 15 3.070915738 0.073321005 . . . . . . . 53298 1 2 . 1 1 4 4 VAL N N 15 3.484055582 0.145897574 . . . . . . . 53298 1 3 . 1 1 5 5 ALA N N 15 3.776416615 0.221890949 . . . . . . . 53298 1 4 . 1 1 7 7 GLU N N 15 4.860841017 0.110345665 . . . . . . . 53298 1 5 . 1 1 8 8 ASN N N 15 4.484146207 0.118863082 . . . . . . . 53298 1 6 . 1 1 9 9 ALA N N 15 4.761722406 0.132880271 . . . . . . . 53298 1 7 . 1 1 11 11 GLY N N 15 4.629490096 0.139465222 . . . . . . . 53298 1 8 . 1 1 12 12 LEU N N 15 5.165288555 0.068433925 . . . . . . . 53298 1 9 . 1 1 13 13 ASP N N 15 5.199710785 0.048553592 . . . . . . . 53298 1 10 . 1 1 15 15 GLN N N 15 5.962788451 0.147697534 . . . . . . . 53298 1 11 . 1 1 17 17 ALA N N 15 5.852594186 0.076313318 . . . . . . . 53298 1 12 . 1 1 18 18 GLY N N 15 4.936792604 0.104505736 . . . . . . . 53298 1 13 . 1 1 20 20 ASP N N 15 5.0811739 0.097458744 . . . . . . . 53298 1 14 . 1 1 22 22 ASN N N 15 5.256741544 0.078862011 . . . . . . . 53298 1 15 . 1 1 23 23 SER N N 15 4.862666319 0.120044539 . . . . . . . 53298 1 16 . 1 1 24 24 SER N N 15 5.051756263 0.146145128 . . . . . . . 53298 1 17 . 1 1 25 25 ASP N N 15 4.991595416 0.041533435 . . . . . . . 53298 1 18 . 1 1 26 26 ASN N N 15 4.924531909 0.200865348 . . . . . . . 53298 1 19 . 1 1 27 27 GLN N N 15 4.599993598 0.049860357 . . . . . . . 53298 1 20 . 1 1 28 28 SER N N 15 4.421257712 0.091606315 . . . . . . . 53298 1 21 . 1 1 29 29 GLY N N 15 3.928785397 0.129696024 . . . . . . . 53298 1 22 . 1 1 30 30 GLY N N 15 3.554051155 0.112356299 . . . . . . . 53298 1 23 . 1 1 31 31 SER N N 15 3.845323341 0.06830931 . . . . . . . 53298 1 24 . 1 1 32 32 THR N N 15 4.240350296 0.050498442 . . . . . . . 53298 1 25 . 1 1 33 33 ALA N N 15 4.958803929 0.151819058 . . . . . . . 53298 1 26 . 1 1 34 34 SER N N 15 4.687038209 0.144180555 . . . . . . . 53298 1 27 . 1 1 35 35 LYS N N 15 5.042582693 0.128676856 . . . . . . . 53298 1 28 . 1 1 36 36 GLY N N 15 4.886394465 0.223980649 . . . . . . . 53298 1 29 . 1 1 38 38 ALA N N 15 6.606779928 0.103396521 . . . . . . . 53298 1 30 . 1 1 42 42 HIS N N 15 11.22924552 0.256373394 . . . . . . . 53298 1 31 . 1 1 43 43 LEU N N 15 10.57994119 0.238962563 . . . . . . . 53298 1 32 . 1 1 45 45 ASN N N 15 8.813276932 0.119809287 . . . . . . . 53298 1 33 . 1 1 47 47 GLU N N 15 9.187481495 0.170469879 . . . . . . . 53298 1 34 . 1 1 48 48 ALA N N 15 9.118706564 0.241392871 . . . . . . . 53298 1 35 . 1 1 49 49 THR N N 15 7.792124876 0.145751942 . . . . . . . 53298 1 36 . 1 1 50 50 LYS N N 15 8.439642067 0.204330022 . . . . . . . 53298 1 37 . 1 1 51 51 GLY N N 15 8.403346784 0.271511925 . . . . . . . 53298 1 38 . 1 1 54 54 ASP N N 15 9.845844985 0.304184493 . . . . . . . 53298 1 39 . 1 1 56 56 ASP N N 15 8.762444801 0.163858731 . . . . . . . 53298 1 40 . 1 1 57 57 SER N N 15 8.412590383 0.224921137 . . . . . . . 53298 1 41 . 1 1 58 58 SER N N 15 8.689610583 0.181505601 . . . . . . . 53298 1 42 . 1 1 59 59 GLY N N 15 8.354651377 0.291009895 . . . . . . . 53298 1 43 . 1 1 61 61 SER N N 15 9.140709421 0.195777453 . . . . . . . 53298 1 44 . 1 1 62 62 SER N N 15 8.354726123 0.173270537 . . . . . . . 53298 1 45 . 1 1 63 63 SER N N 15 8.648558703 0.129870771 . . . . . . . 53298 1 46 . 1 1 64 64 LYS N N 15 8.703719199 0.240152349 . . . . . . . 53298 1 47 . 1 1 66 66 LYS N N 15 8.386565983 0.169037461 . . . . . . . 53298 1 48 . 1 1 67 67 ASP N N 15 8.479449108 0.153148047 . . . . . . . 53298 1 49 . 1 1 68 68 ALA N N 15 9.17332236 0.045804941 . . . . . . . 53298 1 50 . 1 1 69 69 TYR N N 15 9.10256255 0.197008577 . . . . . . . 53298 1 51 . 1 1 70 70 SER N N 15 8.711603479 0.109466723 . . . . . . . 53298 1 52 . 1 1 71 71 SER N N 15 7.7842786 0.052857074 . . . . . . . 53298 1 53 . 1 1 73 73 GLY N N 15 7.023360027 0.217207521 . . . . . . . 53298 1 54 . 1 1 74 74 SER N N 15 7.234990624 0.110418748 . . . . . . . 53298 1 55 . 1 1 76 76 SER N N 15 7.629219401 0.217419612 . . . . . . . 53298 1 56 . 1 1 78 78 SER N N 15 7.371625344 0.103178824 . . . . . . . 53298 1 57 . 1 1 83 83 SER N N 15 7.680033654 0.222970875 . . . . . . . 53298 1 58 . 1 1 86 86 SER N N 15 8.034617895 0.244831812 . . . . . . . 53298 1 59 . 1 1 88 88 ARG N N 15 7.857693414 0.100002606 . . . . . . . 53298 1 60 . 1 1 89 89 GLY N N 15 6.541578824 0.204923795 . . . . . . . 53298 1 61 . 1 1 90 90 SER N N 15 6.440164002 0.076873692 . . . . . . . 53298 1 62 . 1 1 91 91 GLY N N 15 6.013814318 0.148583286 . . . . . . . 53298 1 63 . 1 1 92 92 SER N N 15 6.016468401 0.149573762 . . . . . . . 53298 1 64 . 1 1 94 94 GLY N N 15 6.680098929 0.119447566 . . . . . . . 53298 1 65 . 1 1 95 95 ARG N N 15 7.593876058 0.077687576 . . . . . . . 53298 1 66 . 1 1 96 96 ALA N N 15 7.729128069 0.172809747 . . . . . . . 53298 1 67 . 1 1 97 97 ASP N N 15 7.373330723 0.218556143 . . . . . . . 53298 1 68 . 1 1 99 99 ARG N N 15 8.632007992 0.138936537 . . . . . . . 53298 1 69 . 1 1 100 100 GLY N N 15 7.756353792 0.39123044 . . . . . . . 53298 1 70 . 1 1 102 102 SER N N 15 7.910001185 0.145643557 . . . . . . . 53298 1 71 . 1 1 105 105 ASP N N 15 8.8649396 0.187618998 . . . . . . . 53298 1 72 . 1 1 106 106 GLY N N 15 6.762729694 0.110956438 . . . . . . . 53298 1 73 . 1 1 107 107 ILE N N 15 7.883114962 0.138453135 . . . . . . . 53298 1 74 . 1 1 108 108 GLY N N 15 7.185110776 0.064904658 . . . . . . . 53298 1 75 . 1 1 109 109 SER N N 15 6.743054885 0.183505784 . . . . . . . 53298 1 76 . 1 1 113 113 ARG N N 15 6.547192826 0.122183608 . . . . . . . 53298 1 77 . 1 1 115 115 GLY N N 15 4.645304159 0.153376409 . . . . . . . 53298 1 78 . 1 1 116 116 ALA N N 15 5.745475835 0.124375123 . . . . . . . 53298 1 79 . 1 1 117 117 GLY N N 15 5.685107278 0.143065027 . . . . . . . 53298 1 80 . 1 1 119 119 ALA N N 15 5.768538819 0.112206531 . . . . . . . 53298 1 81 . 1 1 121 121 ARG N N 15 5.581148395 0.073267512 . . . . . . . 53298 1 82 . 1 1 122 122 GLY N N 15 4.972376951 0.209833815 . . . . . . . 53298 1 83 . 1 1 123 123 GLY N N 15 4.532521781 0.224200109 . . . . . . . 53298 1 84 . 1 1 124 124 ASN N N 15 5.418640377 0.215802519 . . . . . . . 53298 1 85 . 1 1 125 125 SER N N 15 5.322903708 0.144017999 . . . . . . . 53298 1 86 . 1 1 128 128 CYS N N 15 6.351062741 0.096156337 . . . . . . . 53298 1 87 . 1 1 129 129 ASP N N 15 5.757107163 0.154532426 . . . . . . . 53298 1 88 . 1 1 131 131 SER N N 15 3.523982634 0.097591015 . . . . . . . 53298 1 89 . 1 1 132 132 ASP N N 15 2.857010125 0.195450591 . . . . . . . 53298 1 stop_ save_