data_50482 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50482 _Entry.Title ; RelAdd_homodimer T1, T2 and NOE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-28 _Entry.Accession_date 2020-09-28 _Entry.Last_release_date 2020-09-28 _Entry.Original_release_date 2020-09-28 _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 . _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 Manish Kumar . . . . 50482 2 Nitin Dhaka . . . . 50482 3 Sulakshana Mukherjee . P. . 0000-0002-9420-6215 50482 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Indian Institute of Technology Roorkee' . 50482 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 50482 heteronucl_T1_relaxation 1 50482 heteronucl_T2_relaxation 1 50482 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 76 50482 'T2 relaxation values' 76 50482 'heteronuclear NOE values' 75 50482 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 . . 2021-04-13 . original BMRB . 50482 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50494 'RelA-p50 heterodimer T1, T2 and NOE' 50482 BMRB 50495 'RelAdd mutant(V248F) T1, T2 and NOE' 50482 PDB 1BFT 'Crystal structure' 50482 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50482 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33555182 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Domain stability regulated through the dimer interface controls the formation kinetics of a specific NF-kappaB dimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 513 _Citation.Page_last 523 _Citation.Year 2021 _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 Manish Kumar . . . . 50482 1 2 Nitin Dhaka . . . . 50482 1 3 Tahseen Raza . . . . 50482 1 4 Prikshat Dadhwal . . . . 50482 1 5 Hanudatta Atreya . S. . . 50482 1 6 Sulakshana Mukherjee . P. . . 50482 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NF-kB, transcription, kinetics, dimer stability, Hydrogen bond network' 50482 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50482 _Assembly.ID 1 _Assembly.Name 'RelADD homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23150 _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 'RelA, chain 1' 1 $entity_1 . . yes native no yes . . . 50482 1 2 'RelA, chain 2' 1 $entity_1 . . no native no yes . . . 50482 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 hydrogen directed . 1 . 1 ARG 9 9 NH1 . 1 . 1 ASP 102 102 OD1 . . . 198 R NH1 . . . 302 D OD1 50482 1 2 hydrogen directed . 1 . 1 CYS 27 27 O . 1 . 1 HIS 56 56 NE2 . . . 216 C O . . . 245 H NE2 50482 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Extremely slow exchange' 50482 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Immune response' 50482 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50482 _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 ; NTAELKICRVNRNSGSCLGG DEIFLLCDKVQKEDIEVYFT GPGWEARGSFSQADVHRQVA IVFRTPPYADPSLQAPVRVS MQLRRPSDRELSEPMEFQYL PD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 190 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Immune response' 50482 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 . ASN . 50482 1 2 . THR . 50482 1 3 . ALA . 50482 1 4 . GLU . 50482 1 5 . LEU . 50482 1 6 . LYS . 50482 1 7 . ILE . 50482 1 8 . CYS . 50482 1 9 . ARG . 50482 1 10 . VAL . 50482 1 11 . ASN . 50482 1 12 . ARG . 50482 1 13 . ASN . 50482 1 14 . SER . 50482 1 15 . GLY . 50482 1 16 . SER . 50482 1 17 . CYS . 50482 1 18 . LEU . 50482 1 19 . GLY . 50482 1 20 . GLY . 50482 1 21 . ASP . 50482 1 22 . GLU . 50482 1 23 . ILE . 50482 1 24 . PHE . 50482 1 25 . LEU . 50482 1 26 . LEU . 50482 1 27 . CYS . 50482 1 28 . ASP . 50482 1 29 . LYS . 50482 1 30 . VAL . 50482 1 31 . GLN . 50482 1 32 . LYS . 50482 1 33 . GLU . 50482 1 34 . ASP . 50482 1 35 . ILE . 50482 1 36 . GLU . 50482 1 37 . VAL . 50482 1 38 . TYR . 50482 1 39 . PHE . 50482 1 40 . THR . 50482 1 41 . GLY . 50482 1 42 . PRO . 50482 1 43 . GLY . 50482 1 44 . TRP . 50482 1 45 . GLU . 50482 1 46 . ALA . 50482 1 47 . ARG . 50482 1 48 . GLY . 50482 1 49 . SER . 50482 1 50 . PHE . 50482 1 51 . SER . 50482 1 52 . GLN . 50482 1 53 . ALA . 50482 1 54 . ASP . 50482 1 55 . VAL . 50482 1 56 . HIS . 50482 1 57 . ARG . 50482 1 58 . GLN . 50482 1 59 . VAL . 50482 1 60 . ALA . 50482 1 61 . ILE . 50482 1 62 . VAL . 50482 1 63 . PHE . 50482 1 64 . ARG . 50482 1 65 . THR . 50482 1 66 . PRO . 50482 1 67 . PRO . 50482 1 68 . TYR . 50482 1 69 . ALA . 50482 1 70 . ASP . 50482 1 71 . PRO . 50482 1 72 . SER . 50482 1 73 . LEU . 50482 1 74 . GLN . 50482 1 75 . ALA . 50482 1 76 . PRO . 50482 1 77 . VAL . 50482 1 78 . ARG . 50482 1 79 . VAL . 50482 1 80 . SER . 50482 1 81 . MET . 50482 1 82 . GLN . 50482 1 83 . LEU . 50482 1 84 . ARG . 50482 1 85 . ARG . 50482 1 86 . PRO . 50482 1 87 . SER . 50482 1 88 . ASP . 50482 1 89 . ARG . 50482 1 90 . GLU . 50482 1 91 . LEU . 50482 1 92 . SER . 50482 1 93 . GLU . 50482 1 94 . PRO . 50482 1 95 . MET . 50482 1 96 . GLU . 50482 1 97 . PHE . 50482 1 98 . GLN . 50482 1 99 . TYR . 50482 1 100 . LEU . 50482 1 101 . PRO . 50482 1 102 . ASP . 50482 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 . ASN 1 1 50482 1 . THR 2 2 50482 1 . ALA 3 3 50482 1 . GLU 4 4 50482 1 . LEU 5 5 50482 1 . LYS 6 6 50482 1 . ILE 7 7 50482 1 . CYS 8 8 50482 1 . ARG 9 9 50482 1 . VAL 10 10 50482 1 . ASN 11 11 50482 1 . ARG 12 12 50482 1 . ASN 13 13 50482 1 . SER 14 14 50482 1 . GLY 15 15 50482 1 . SER 16 16 50482 1 . CYS 17 17 50482 1 . LEU 18 18 50482 1 . GLY 19 19 50482 1 . GLY 20 20 50482 1 . ASP 21 21 50482 1 . GLU 22 22 50482 1 . ILE 23 23 50482 1 . PHE 24 24 50482 1 . LEU 25 25 50482 1 . LEU 26 26 50482 1 . CYS 27 27 50482 1 . ASP 28 28 50482 1 . LYS 29 29 50482 1 . VAL 30 30 50482 1 . GLN 31 31 50482 1 . LYS 32 32 50482 1 . GLU 33 33 50482 1 . ASP 34 34 50482 1 . ILE 35 35 50482 1 . GLU 36 36 50482 1 . VAL 37 37 50482 1 . TYR 38 38 50482 1 . PHE 39 39 50482 1 . THR 40 40 50482 1 . GLY 41 41 50482 1 . PRO 42 42 50482 1 . GLY 43 43 50482 1 . TRP 44 44 50482 1 . GLU 45 45 50482 1 . ALA 46 46 50482 1 . ARG 47 47 50482 1 . GLY 48 48 50482 1 . SER 49 49 50482 1 . PHE 50 50 50482 1 . SER 51 51 50482 1 . GLN 52 52 50482 1 . ALA 53 53 50482 1 . ASP 54 54 50482 1 . VAL 55 55 50482 1 . HIS 56 56 50482 1 . ARG 57 57 50482 1 . GLN 58 58 50482 1 . VAL 59 59 50482 1 . ALA 60 60 50482 1 . ILE 61 61 50482 1 . VAL 62 62 50482 1 . PHE 63 63 50482 1 . ARG 64 64 50482 1 . THR 65 65 50482 1 . PRO 66 66 50482 1 . PRO 67 67 50482 1 . TYR 68 68 50482 1 . ALA 69 69 50482 1 . ASP 70 70 50482 1 . PRO 71 71 50482 1 . SER 72 72 50482 1 . LEU 73 73 50482 1 . GLN 74 74 50482 1 . ALA 75 75 50482 1 . PRO 76 76 50482 1 . VAL 77 77 50482 1 . ARG 78 78 50482 1 . VAL 79 79 50482 1 . SER 80 80 50482 1 . MET 81 81 50482 1 . GLN 82 82 50482 1 . LEU 83 83 50482 1 . ARG 84 84 50482 1 . ARG 85 85 50482 1 . PRO 86 86 50482 1 . SER 87 87 50482 1 . ASP 88 88 50482 1 . ARG 89 89 50482 1 . GLU 90 90 50482 1 . LEU 91 91 50482 1 . SER 92 92 50482 1 . GLU 93 93 50482 1 . PRO 94 94 50482 1 . MET 95 95 50482 1 . GLU 96 96 50482 1 . PHE 97 97 50482 1 . GLN 98 98 50482 1 . TYR 99 99 50482 1 . LEU 100 100 50482 1 . PRO 101 101 50482 1 . ASP 102 102 50482 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 50482 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50482 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 50482 _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 BL-21(DE3) . . plasmid . . pET11a . . . 50482 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50482 _Sample.ID 1 _Sample.Name 15N-RelA _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.440 mM total protein concentration' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RelA '[U-99% 15N]' . . 1 $entity_1 . . 440 . . uM . . . . 50482 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 50482 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR condition' _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 'ionic strength' 0.05 . M 50482 1 pH 6.8 . pH 50482 1 pressure 1 . atm 50482 1 temperature 298 . K 50482 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50482 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50482 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50482 _Software.ID 2 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50482 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50482 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50482 3 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 50482 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50482 _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 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50482 1 2 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50482 1 3 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50482 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 50482 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name RelA_homo_hetNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _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' . . . 50482 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 . . 50482 1 2 $software_2 . . 50482 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 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.0186 3.77E-03 . . . . . . . . . . 50482 1 2 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.2467 8.83E-04 . . . . . . . . . . 50482 1 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.4817 0.0529 . . . . . . . . . . 50482 1 4 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.8242 0.1162 . . . . . . . . . . 50482 1 5 . 1 1 7 7 ILE N N 15 . 1 1 7 7 ILE H H 1 0.8686 0.1152 . . . . . . . . . . 50482 1 6 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.8618 0.0303 . . . . . . . . . . 50482 1 7 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.8217 0.023 . . . . . . . . . . 50482 1 8 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.8877 0.0305 . . . . . . . . . . 50482 1 9 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.8026 0.056 . . . . . . . . . . 50482 1 10 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER H H 1 0.8825 0.0131 . . . . . . . . . . 50482 1 11 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.8593 0.0436 . . . . . . . . . . 50482 1 12 . 1 1 16 16 SER N N 15 . 1 1 16 16 SER H H 1 0.7914 0.0595 . . . . . . . . . . 50482 1 13 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.8166 0.0784 . . . . . . . . . . 50482 1 14 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.9377 0.0528 . . . . . . . . . . 50482 1 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.8163 0.0398 . . . . . . . . . . 50482 1 16 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.8362 0.1031 . . . . . . . . . . 50482 1 17 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.8202 8.57E-03 . . . . . . . . . . 50482 1 18 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.8124 0.0559 . . . . . . . . . . 50482 1 19 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.8953 0.0549 . . . . . . . . . . 50482 1 20 . 1 1 27 27 CYS N N 15 . 1 1 27 27 CYS H H 1 0.8232 0.1299 . . . . . . . . . . 50482 1 21 . 1 1 28 28 ASP N N 15 . 1 1 28 28 ASP H H 1 0.8996 0.2027 . . . . . . . . . . 50482 1 22 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.7015 0.0355 . . . . . . . . . . 50482 1 23 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.7751 3.29E-04 . . . . . . . . . . 50482 1 24 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.6706 0.0514 . . . . . . . . . . 50482 1 25 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.712 0.0451 . . . . . . . . . . 50482 1 26 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.7327 7.08E-03 . . . . . . . . . . 50482 1 27 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.8661 0.0306 . . . . . . . . . . 50482 1 28 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.8067 0.0535 . . . . . . . . . . 50482 1 29 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.7908 0.1264 . . . . . . . . . . 50482 1 30 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.7328 0.0523 . . . . . . . . . . 50482 1 31 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.7935 7.92E-03 . . . . . . . . . . 50482 1 32 . 1 1 44 44 TRP N N 15 . 1 1 44 44 TRP H H 1 0.7896 0.0559 . . . . . . . . . . 50482 1 33 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.806 0.0789 . . . . . . . . . . 50482 1 34 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.776 0.0378 . . . . . . . . . . 50482 1 35 . 1 1 47 47 ARG N N 15 . 1 1 47 47 ARG H H 1 0.6936 0.0226 . . . . . . . . . . 50482 1 36 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.6796 0.0379 . . . . . . . . . . 50482 1 37 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.8149 0.0356 . . . . . . . . . . 50482 1 38 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.8313 2.63E-03 . . . . . . . . . . 50482 1 39 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.8457 0.017 . . . . . . . . . . 50482 1 40 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8028 9.79E-03 . . . . . . . . . . 50482 1 41 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.736 0.1138 . . . . . . . . . . 50482 1 42 . 1 1 56 56 HIS N N 15 . 1 1 56 56 HIS H H 1 0.8085 0.0135 . . . . . . . . . . 50482 1 43 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.8801 0.0807 . . . . . . . . . . 50482 1 44 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.8028 5.20E-03 . . . . . . . . . . 50482 1 45 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.9013 0.0982 . . . . . . . . . . 50482 1 46 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.8477 0.0622 . . . . . . . . . . 50482 1 47 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.8239 0.0257 . . . . . . . . . . 50482 1 48 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.8006 0.1548 . . . . . . . . . . 50482 1 49 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7655 0.0384 . . . . . . . . . . 50482 1 50 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.8796 0.0424 . . . . . . . . . . 50482 1 51 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.8613 0.0545 . . . . . . . . . . 50482 1 52 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.7896 0.1086 . . . . . . . . . . 50482 1 53 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.7769 0.0498 . . . . . . . . . . 50482 1 54 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.5931 0.0473 . . . . . . . . . . 50482 1 55 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.6704 0.075 . . . . . . . . . . 50482 1 56 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.7537 5.08E-03 . . . . . . . . . . 50482 1 57 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.6565 8.97E-03 . . . . . . . . . . 50482 1 58 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.7904 0.0873 . . . . . . . . . . 50482 1 59 . 1 1 79 79 VAL N N 15 . 1 1 79 79 VAL H H 1 0.7551 1.29E-05 . . . . . . . . . . 50482 1 60 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.8035 9.81E-03 . . . . . . . . . . 50482 1 61 . 1 1 82 82 GLN N N 15 . 1 1 82 82 GLN H H 1 0.8172 0.0572 . . . . . . . . . . 50482 1 62 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.7915 0.0568 . . . . . . . . . . 50482 1 63 . 1 1 85 85 ARG N N 15 . 1 1 85 85 ARG H H 1 0.8512 0.0552 . . . . . . . . . . 50482 1 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.815 0.1343 . . . . . . . . . . 50482 1 65 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 0.7589 0.0702 . . . . . . . . . . 50482 1 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.8154 0.1262 . . . . . . . . . . 50482 1 67 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.8003 0.0477 . . . . . . . . . . 50482 1 68 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.7585 0.0489 . . . . . . . . . . 50482 1 69 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.7467 0.0608 . . . . . . . . . . 50482 1 70 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.7025 0.0198 . . . . . . . . . . 50482 1 71 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.7145 0.0357 . . . . . . . . . . 50482 1 72 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.8503 0.0738 . . . . . . . . . . 50482 1 73 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.7947 0.0228 . . . . . . . . . . 50482 1 74 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.8803 0.0796 . . . . . . . . . . 50482 1 75 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.6063 0.0112 . . . . . . . . . . 50482 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 50482 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name '15N T1 RelA homo' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details R1_RelAdd_homo.txt _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 50482 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 . . 50482 1 2 $software_2 . . 50482 1 3 $software_3 . . 50482 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 2 2 THR N N 15 1.3728 0.0333 . . . . . 50482 1 2 . 1 1 3 3 ALA N N 15 1.4368 0.0258 . . . . . 50482 1 3 . 1 1 5 5 LEU N N 15 0.8758 0.0354 . . . . . 50482 1 4 . 1 1 6 6 LYS N N 15 0.7378 0.0688 . . . . . 50482 1 5 . 1 1 7 7 ILE N N 15 0.6824 0.0875 . . . . . 50482 1 6 . 1 1 9 9 ARG N N 15 0.7043 0.048 . . . . . 50482 1 7 . 1 1 10 10 VAL N N 15 0.7562 0.042 . . . . . 50482 1 8 . 1 1 12 12 ARG N N 15 0.7278 0.0294 . . . . . 50482 1 9 . 1 1 13 13 ASN N N 15 0.7819 0.0404 . . . . . 50482 1 10 . 1 1 14 14 SER N N 15 0.7319 0.0331 . . . . . 50482 1 11 . 1 1 15 15 GLY N N 15 0.7381 0.0509 . . . . . 50482 1 12 . 1 1 16 16 SER N N 15 0.7702 0.0493 . . . . . 50482 1 13 . 1 1 17 17 CYS N N 15 0.7854 0.0684 . . . . . 50482 1 14 . 1 1 18 18 LEU N N 15 0.6992 0.04 . . . . . 50482 1 15 . 1 1 19 19 GLY N N 15 0.837 0.0521 . . . . . 50482 1 16 . 1 1 20 20 GLY N N 15 0.7705 0.0635 . . . . . 50482 1 17 . 1 1 21 21 ASP N N 15 0.763 0.021 . . . . . 50482 1 18 . 1 1 24 24 PHE N N 15 0.7736 0.049 . . . . . 50482 1 19 . 1 1 25 25 LEU N N 15 0.7694 0.0609 . . . . . 50482 1 20 . 1 1 27 27 CYS N N 15 0.7578 0.0647 . . . . . 50482 1 21 . 1 1 28 28 ASP N N 15 0.8124 0.052 . . . . . 50482 1 22 . 1 1 29 29 LYS N N 15 0.7721 0.0436 . . . . . 50482 1 23 . 1 1 30 30 VAL N N 15 0.7709 0.0657 . . . . . 50482 1 24 . 1 1 31 31 GLN N N 15 0.7499 0.0479 . . . . . 50482 1 25 . 1 1 32 32 LYS N N 15 0.7515 0.064 . . . . . 50482 1 26 . 1 1 34 34 ASP N N 15 0.7025 0.0372 . . . . . 50482 1 27 . 1 1 35 35 ILE N N 15 0.8399 0.0285 . . . . . 50482 1 28 . 1 1 36 36 GLU N N 15 0.8268 0.0581 . . . . . 50482 1 29 . 1 1 39 39 PHE N N 15 0.8108 0.0442 . . . . . 50482 1 30 . 1 1 40 40 THR N N 15 0.8027 0.049 . . . . . 50482 1 31 . 1 1 41 41 GLY N N 15 0.7463 0.0701 . . . . . 50482 1 32 . 1 1 43 43 GLY N N 15 0.8403 0.0385 . . . . . 50482 1 33 . 1 1 44 44 TRP N N 15 0.8189 0.029 . . . . . 50482 1 34 . 1 1 45 45 GLU N N 15 0.7423 0.0347 . . . . . 50482 1 35 . 1 1 46 46 ALA N N 15 0.7386 0.039 . . . . . 50482 1 36 . 1 1 47 47 ARG N N 15 0.774 0.0328 . . . . . 50482 1 37 . 1 1 48 48 GLY N N 15 0.7764 0.0771 . . . . . 50482 1 38 . 1 1 50 50 PHE N N 15 0.7439 0.0324 . . . . . 50482 1 39 . 1 1 51 51 SER N N 15 0.74 0.0492 . . . . . 50482 1 40 . 1 1 53 53 ALA N N 15 0.934 0.0425 . . . . . 50482 1 41 . 1 1 54 54 ASP N N 15 0.7241 0.0424 . . . . . 50482 1 42 . 1 1 55 55 VAL N N 15 0.7777 0.0323 . . . . . 50482 1 43 . 1 1 56 56 HIS N N 15 0.7006 0.0665 . . . . . 50482 1 44 . 1 1 57 57 ARG N N 15 0.7826 0.07 . . . . . 50482 1 45 . 1 1 58 58 GLN N N 15 0.7738 0.0517 . . . . . 50482 1 46 . 1 1 59 59 VAL N N 15 0.7109 0.0489 . . . . . 50482 1 47 . 1 1 60 60 ALA N N 15 0.8107 0.0361 . . . . . 50482 1 48 . 1 1 61 61 ILE N N 15 0.6901 0.0481 . . . . . 50482 1 49 . 1 1 62 62 VAL N N 15 0.7144 0.0508 . . . . . 50482 1 50 . 1 1 63 63 PHE N N 15 0.8727 0.0301 . . . . . 50482 1 51 . 1 1 64 64 ARG N N 15 0.7978 0.0609 . . . . . 50482 1 52 . 1 1 65 65 THR N N 15 0.6989 0.06 . . . . . 50482 1 53 . 1 1 69 69 ALA N N 15 0.7457 0.0457 . . . . . 50482 1 54 . 1 1 70 70 ASP N N 15 0.6809 0.064 . . . . . 50482 1 55 . 1 1 73 73 LEU N N 15 0.808 0.0336 . . . . . 50482 1 56 . 1 1 74 74 GLN N N 15 0.7269 0.0607 . . . . . 50482 1 57 . 1 1 75 75 ALA N N 15 0.6539 0.0286 . . . . . 50482 1 58 . 1 1 77 77 VAL N N 15 0.724 0.0349 . . . . . 50482 1 59 . 1 1 78 78 ARG N N 15 0.6963 0.0277 . . . . . 50482 1 60 . 1 1 79 79 VAL N N 15 0.6277 0.0424 . . . . . 50482 1 61 . 1 1 80 80 SER N N 15 0.7314 0.0468 . . . . . 50482 1 62 . 1 1 82 82 GLN N N 15 0.7705 0.0308 . . . . . 50482 1 63 . 1 1 83 83 LEU N N 15 0.8253 0.0519 . . . . . 50482 1 64 . 1 1 85 85 ARG N N 15 0.7813 0.0631 . . . . . 50482 1 65 . 1 1 87 87 SER N N 15 0.7364 0.0486 . . . . . 50482 1 66 . 1 1 88 88 ASP N N 15 0.7387 0.0411 . . . . . 50482 1 67 . 1 1 89 89 ARG N N 15 0.7504 0.0559 . . . . . 50482 1 68 . 1 1 90 90 GLU N N 15 0.782 0.0342 . . . . . 50482 1 69 . 1 1 91 91 LEU N N 15 0.7275 0.0409 . . . . . 50482 1 70 . 1 1 92 92 SER N N 15 0.7644 0.0457 . . . . . 50482 1 71 . 1 1 96 96 GLU N N 15 0.6962 0.0293 . . . . . 50482 1 72 . 1 1 97 97 PHE N N 15 0.6844 0.0389 . . . . . 50482 1 73 . 1 1 98 98 GLN N N 15 0.6663 0.0447 . . . . . 50482 1 74 . 1 1 99 99 TYR N N 15 0.7215 0.0414 . . . . . 50482 1 75 . 1 1 100 100 LEU N N 15 0.6714 0.0565 . . . . . 50482 1 76 . 1 1 102 102 ASP N N 15 0.7304 0.0331 . . . . . 50482 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 50482 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name RelA_homo_T2 _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 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _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 2 'T2/R2 relaxation' . . . 50482 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 . . 50482 1 2 $software_2 . . 50482 1 3 $software_3 . . 50482 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 2 2 THR N N 15 8.1681 0.1698 . . . . . . . 50482 1 2 . 1 1 3 3 ALA N N 15 10.3063 0.1353 . . . . . . . 50482 1 3 . 1 1 5 5 LEU N N 15 18.2846 0.4518 . . . . . . . 50482 1 4 . 1 1 6 6 LYS N N 15 20.8737 1.1537 . . . . . . . 50482 1 5 . 1 1 7 7 ILE N N 15 26.7372 1.9349 . . . . . . . 50482 1 6 . 1 1 9 9 ARG N N 15 22.9777 0.7659 . . . . . . . 50482 1 7 . 1 1 10 10 VAL N N 15 21.7581 0.6485 . . . . . . . 50482 1 8 . 1 1 12 12 ARG N N 15 25.4772 0.503 . . . . . . . 50482 1 9 . 1 1 13 13 ASN N N 15 21.173 0.5643 . . . . . . . 50482 1 10 . 1 1 14 14 SER N N 15 24.5036 0.6313 . . . . . . . 50482 1 11 . 1 1 15 15 GLY N N 15 20.1857 1.1084 . . . . . . . 50482 1 12 . 1 1 16 16 SER N N 15 21.7727 0.7405 . . . . . . . 50482 1 13 . 1 1 17 17 CYS N N 15 25.9363 1.2989 . . . . . . . 50482 1 14 . 1 1 18 18 LEU N N 15 23.1815 0.7224 . . . . . . . 50482 1 15 . 1 1 19 19 GLY N N 15 20.837 0.8565 . . . . . . . 50482 1 16 . 1 1 20 20 GLY N N 15 23.0599 1.17 . . . . . . . 50482 1 17 . 1 1 21 21 ASP N N 15 25.9976 0.4606 . . . . . . . 50482 1 18 . 1 1 24 24 PHE N N 15 20.5954 0.8296 . . . . . . . 50482 1 19 . 1 1 25 25 LEU N N 15 21.0129 0.9638 . . . . . . . 50482 1 20 . 1 1 27 27 CYS N N 15 24.9413 1.2383 . . . . . . . 50482 1 21 . 1 1 28 28 ASP N N 15 27.162 0.8594 . . . . . . . 50482 1 22 . 1 1 29 29 LYS N N 15 21.64 0.6369 . . . . . . . 50482 1 23 . 1 1 30 30 VAL N N 15 29.256 1.6475 . . . . . . . 50482 1 24 . 1 1 31 31 GLN N N 15 25.7174 0.8844 . . . . . . . 50482 1 25 . 1 1 32 32 LYS N N 15 22.8177 1.1368 . . . . . . . 50482 1 26 . 1 1 34 34 ASP N N 15 25.3721 0.734 . . . . . . . 50482 1 27 . 1 1 35 35 ILE N N 15 23.5728 0.4722 . . . . . . . 50482 1 28 . 1 1 36 36 GLU N N 15 23.371 0.9408 . . . . . . . 50482 1 29 . 1 1 39 39 PHE N N 15 19.8559 0.8306 . . . . . . . 50482 1 30 . 1 1 40 40 THR N N 15 23.1566 0.8477 . . . . . . . 50482 1 31 . 1 1 41 41 GLY N N 15 23.0476 1.2882 . . . . . . . 50482 1 32 . 1 1 43 43 GLY N N 15 19.0588 0.557 . . . . . . . 50482 1 33 . 1 1 44 44 TRP N N 15 19.9835 0.393 . . . . . . . 50482 1 34 . 1 1 45 45 GLU N N 15 24.3381 0.6057 . . . . . . . 50482 1 35 . 1 1 46 46 ALA N N 15 18.8983 0.605 . . . . . . . 50482 1 36 . 1 1 47 47 ARG N N 15 22.0109 0.5273 . . . . . . . 50482 1 37 . 1 1 48 48 GLY N N 15 19.3594 1.451 . . . . . . . 50482 1 38 . 1 1 50 50 PHE N N 15 18.4456 0.4375 . . . . . . . 50482 1 39 . 1 1 51 51 SER N N 15 25.6549 0.9781 . . . . . . . 50482 1 40 . 1 1 53 53 ALA N N 15 26.2934 0.7188 . . . . . . . 50482 1 41 . 1 1 54 54 ASP N N 15 25.9968 0.8012 . . . . . . . 50482 1 42 . 1 1 55 55 VAL N N 15 21.2985 0.569 . . . . . . . 50482 1 43 . 1 1 56 56 HIS N N 15 21.7724 1.4345 . . . . . . . 50482 1 44 . 1 1 57 57 ARG N N 15 24.0682 1.2379 . . . . . . . 50482 1 45 . 1 1 58 58 GLN N N 15 18.4446 0.9721 . . . . . . . 50482 1 46 . 1 1 59 59 VAL N N 15 26.1599 0.9849 . . . . . . . 50482 1 47 . 1 1 60 60 ALA N N 15 21.939 0.6414 . . . . . . . 50482 1 48 . 1 1 61 61 ILE N N 15 20.2917 0.7634 . . . . . . . 50482 1 49 . 1 1 62 62 VAL N N 15 21.9682 0.8009 . . . . . . . 50482 1 50 . 1 1 63 63 PHE N N 15 21.5296 0.4642 . . . . . . . 50482 1 51 . 1 1 64 64 ARG N N 15 24.4906 1.1348 . . . . . . . 50482 1 52 . 1 1 65 65 THR N N 15 22.7482 1.1468 . . . . . . . 50482 1 53 . 1 1 69 69 ALA N N 15 20.7979 0.7264 . . . . . . . 50482 1 54 . 1 1 70 70 ASP N N 15 23.0202 1.068 . . . . . . . 50482 1 55 . 1 1 73 73 LEU N N 15 19.1848 0.4377 . . . . . . . 50482 1 56 . 1 1 74 74 GLN N N 15 24.1873 1.1034 . . . . . . . 50482 1 57 . 1 1 75 75 ALA N N 15 20.2147 0.4777 . . . . . . . 50482 1 58 . 1 1 77 77 VAL N N 15 21.777 0.6856 . . . . . . . 50482 1 59 . 1 1 78 78 ARG N N 15 22.5164 0.4505 . . . . . . . 50482 1 60 . 1 1 79 79 VAL N N 15 24.3779 0.8702 . . . . . . . 50482 1 61 . 1 1 80 80 SER N N 15 21.6956 0.7698 . . . . . . . 50482 1 62 . 1 1 82 82 GLN N N 15 18.8102 0.4538 . . . . . . . 50482 1 63 . 1 1 83 83 LEU N N 15 19.7939 0.7387 . . . . . . . 50482 1 64 . 1 1 85 85 ARG N N 15 23.7971 1.2451 . . . . . . . 50482 1 65 . 1 1 87 87 SER N N 15 24.3002 0.8614 . . . . . . . 50482 1 66 . 1 1 88 88 ASP N N 15 25.2813 0.928 . . . . . . . 50482 1 67 . 1 1 89 89 ARG N N 15 24.8226 1.0209 . . . . . . . 50482 1 68 . 1 1 90 90 GLU N N 15 23.7063 0.617 . . . . . . . 50482 1 69 . 1 1 91 91 LEU N N 15 21.1329 0.646 . . . . . . . 50482 1 70 . 1 1 92 92 SER N N 15 20.5333 0.7558 . . . . . . . 50482 1 71 . 1 1 96 96 GLU N N 15 20.0445 0.4267 . . . . . . . 50482 1 72 . 1 1 97 97 PHE N N 15 27.3058 0.8036 . . . . . . . 50482 1 73 . 1 1 98 98 GLN N N 15 24.0126 0.8989 . . . . . . . 50482 1 74 . 1 1 99 99 TYR N N 15 20.9801 0.7527 . . . . . . . 50482 1 75 . 1 1 100 100 LEU N N 15 24.734 1.2342 . . . . . . . 50482 1 76 . 1 1 102 102 ASP N N 15 23.4456 0.5382 . . . . . . . 50482 1 stop_ save_