data_50494 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50494 _Entry.Title ; RelA-p50 heterodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-30 _Entry.Accession_date 2020-09-30 _Entry.Last_release_date 2020-09-30 _Entry.Original_release_date 2020-09-30 _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 . . . . 50494 2 Nitin Dhaka . . . . 50494 3 Tahseen Raza . . . . 50494 4 Prikshat Dadhwal . . . . 50494 5 Hanudatta Atreya . S. . . 50494 6 Sulakshana Mukherjee . P. . 0000-0002-9420-6215 50494 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biotechnology, Indian Institute of Technology Roorkee, India' . 50494 2 . 'NMR Research Centre, Indian Institute of Science Bengaluru, India' . 50494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 50494 heteronucl_T1_relaxation 1 50494 heteronucl_T2_relaxation 1 50494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 73 50494 'T2 relaxation values' 73 50494 'heteronuclear NOE values' 72 50494 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 . 50494 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50482 'RelAdd homodimer T1, T2 and NOE' 50494 BMRB 50495 'RelAdd mutant(V248F) T1, T2 and NOE' 50494 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50494 _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 . . . . 50494 1 2 Nitin Dhaka . . . . 50494 1 3 Tahseen Raza . . . . 50494 1 4 Prikshat Dadhwal . . . . 50494 1 5 Hanudatta Atreya . S. . . 50494 1 6 Sulakshana Mukherjee . P. . . 50494 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NF-kB, transcription, kinetics, dimer stability' 50494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50494 _Assembly.ID 1 _Assembly.Name RelA-p50 _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 23810 _Assembly.Enzyme_commission_number . _Assembly.Details 'dimerization domain of RelA-p50 heterodimer' _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 1 $entity_1 . . yes native no no . . . 50494 1 2 p50 2 $entity_2 . . no native no no . . . 50494 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 ASN 11 11 ND2 . 2 . 2 ASP 10 10 O . RelA . 200 ASN ND2 . p50 . 254 ASP O 50494 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Immune response' 50494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50494 _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 'Starts from 190' _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' 50494 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 . 50494 1 2 . THR . 50494 1 3 . ALA . 50494 1 4 . GLU . 50494 1 5 . LEU . 50494 1 6 . LYS . 50494 1 7 . ILE . 50494 1 8 . CYS . 50494 1 9 . ARG . 50494 1 10 . VAL . 50494 1 11 . ASN . 50494 1 12 . ARG . 50494 1 13 . ASN . 50494 1 14 . SER . 50494 1 15 . GLY . 50494 1 16 . SER . 50494 1 17 . CYS . 50494 1 18 . LEU . 50494 1 19 . GLY . 50494 1 20 . GLY . 50494 1 21 . ASP . 50494 1 22 . GLU . 50494 1 23 . ILE . 50494 1 24 . PHE . 50494 1 25 . LEU . 50494 1 26 . LEU . 50494 1 27 . CYS . 50494 1 28 . ASP . 50494 1 29 . LYS . 50494 1 30 . VAL . 50494 1 31 . GLN . 50494 1 32 . LYS . 50494 1 33 . GLU . 50494 1 34 . ASP . 50494 1 35 . ILE . 50494 1 36 . GLU . 50494 1 37 . VAL . 50494 1 38 . TYR . 50494 1 39 . PHE . 50494 1 40 . THR . 50494 1 41 . GLY . 50494 1 42 . PRO . 50494 1 43 . GLY . 50494 1 44 . TRP . 50494 1 45 . GLU . 50494 1 46 . ALA . 50494 1 47 . ARG . 50494 1 48 . GLY . 50494 1 49 . SER . 50494 1 50 . PHE . 50494 1 51 . SER . 50494 1 52 . GLN . 50494 1 53 . ALA . 50494 1 54 . ASP . 50494 1 55 . VAL . 50494 1 56 . HIS . 50494 1 57 . ARG . 50494 1 58 . GLN . 50494 1 59 . VAL . 50494 1 60 . ALA . 50494 1 61 . ILE . 50494 1 62 . VAL . 50494 1 63 . PHE . 50494 1 64 . ARG . 50494 1 65 . THR . 50494 1 66 . PRO . 50494 1 67 . PRO . 50494 1 68 . TYR . 50494 1 69 . ALA . 50494 1 70 . ASP . 50494 1 71 . PRO . 50494 1 72 . SER . 50494 1 73 . LEU . 50494 1 74 . GLN . 50494 1 75 . ALA . 50494 1 76 . PRO . 50494 1 77 . VAL . 50494 1 78 . ARG . 50494 1 79 . VAL . 50494 1 80 . SER . 50494 1 81 . MET . 50494 1 82 . GLN . 50494 1 83 . LEU . 50494 1 84 . ARG . 50494 1 85 . ARG . 50494 1 86 . PRO . 50494 1 87 . SER . 50494 1 88 . ASP . 50494 1 89 . ARG . 50494 1 90 . GLU . 50494 1 91 . LEU . 50494 1 92 . SER . 50494 1 93 . GLU . 50494 1 94 . PRO . 50494 1 95 . MET . 50494 1 96 . GLU . 50494 1 97 . PHE . 50494 1 98 . GLN . 50494 1 99 . TYR . 50494 1 100 . LEU . 50494 1 101 . PRO . 50494 1 102 . ASP . 50494 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 50494 1 . THR 2 2 50494 1 . ALA 3 3 50494 1 . GLU 4 4 50494 1 . LEU 5 5 50494 1 . LYS 6 6 50494 1 . ILE 7 7 50494 1 . CYS 8 8 50494 1 . ARG 9 9 50494 1 . VAL 10 10 50494 1 . ASN 11 11 50494 1 . ARG 12 12 50494 1 . ASN 13 13 50494 1 . SER 14 14 50494 1 . GLY 15 15 50494 1 . SER 16 16 50494 1 . CYS 17 17 50494 1 . LEU 18 18 50494 1 . GLY 19 19 50494 1 . GLY 20 20 50494 1 . ASP 21 21 50494 1 . GLU 22 22 50494 1 . ILE 23 23 50494 1 . PHE 24 24 50494 1 . LEU 25 25 50494 1 . LEU 26 26 50494 1 . CYS 27 27 50494 1 . ASP 28 28 50494 1 . LYS 29 29 50494 1 . VAL 30 30 50494 1 . GLN 31 31 50494 1 . LYS 32 32 50494 1 . GLU 33 33 50494 1 . ASP 34 34 50494 1 . ILE 35 35 50494 1 . GLU 36 36 50494 1 . VAL 37 37 50494 1 . TYR 38 38 50494 1 . PHE 39 39 50494 1 . THR 40 40 50494 1 . GLY 41 41 50494 1 . PRO 42 42 50494 1 . GLY 43 43 50494 1 . TRP 44 44 50494 1 . GLU 45 45 50494 1 . ALA 46 46 50494 1 . ARG 47 47 50494 1 . GLY 48 48 50494 1 . SER 49 49 50494 1 . PHE 50 50 50494 1 . SER 51 51 50494 1 . GLN 52 52 50494 1 . ALA 53 53 50494 1 . ASP 54 54 50494 1 . VAL 55 55 50494 1 . HIS 56 56 50494 1 . ARG 57 57 50494 1 . GLN 58 58 50494 1 . VAL 59 59 50494 1 . ALA 60 60 50494 1 . ILE 61 61 50494 1 . VAL 62 62 50494 1 . PHE 63 63 50494 1 . ARG 64 64 50494 1 . THR 65 65 50494 1 . PRO 66 66 50494 1 . PRO 67 67 50494 1 . TYR 68 68 50494 1 . ALA 69 69 50494 1 . ASP 70 70 50494 1 . PRO 71 71 50494 1 . SER 72 72 50494 1 . LEU 73 73 50494 1 . GLN 74 74 50494 1 . ALA 75 75 50494 1 . PRO 76 76 50494 1 . VAL 77 77 50494 1 . ARG 78 78 50494 1 . VAL 79 79 50494 1 . SER 80 80 50494 1 . MET 81 81 50494 1 . GLN 82 82 50494 1 . LEU 83 83 50494 1 . ARG 84 84 50494 1 . ARG 85 85 50494 1 . PRO 86 86 50494 1 . SER 87 87 50494 1 . ASP 88 88 50494 1 . ARG 89 89 50494 1 . GLU 90 90 50494 1 . LEU 91 91 50494 1 . SER 92 92 50494 1 . GLU 93 93 50494 1 . PRO 94 94 50494 1 . MET 95 95 50494 1 . GLU 96 96 50494 1 . PHE 97 97 50494 1 . GLN 98 98 50494 1 . TYR 99 99 50494 1 . LEU 100 100 50494 1 . PRO 101 101 50494 1 . ASP 102 102 50494 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50494 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; ASNLKIVRMDRTAGCVTGGE EIYLLCDKVQKDDIQIRFYE EEENGGVWEGFGDFSPTDVH RQFAIVFKTPKYKDVNITKP ASVFVQLRRKSDLETSEPKP FLYYPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 245 _Entity.Polymer_author_seq_details 'Starts from 245' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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' 50494 2 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 . ALA . 50494 2 2 . SER . 50494 2 3 . ASN . 50494 2 4 . LEU . 50494 2 5 . LYS . 50494 2 6 . ILE . 50494 2 7 . VAL . 50494 2 8 . ARG . 50494 2 9 . MET . 50494 2 10 . ASP . 50494 2 11 . ARG . 50494 2 12 . THR . 50494 2 13 . ALA . 50494 2 14 . GLY . 50494 2 15 . CYS . 50494 2 16 . VAL . 50494 2 17 . THR . 50494 2 18 . GLY . 50494 2 19 . GLY . 50494 2 20 . GLU . 50494 2 21 . GLU . 50494 2 22 . ILE . 50494 2 23 . TYR . 50494 2 24 . LEU . 50494 2 25 . LEU . 50494 2 26 . CYS . 50494 2 27 . ASP . 50494 2 28 . LYS . 50494 2 29 . VAL . 50494 2 30 . GLN . 50494 2 31 . LYS . 50494 2 32 . ASP . 50494 2 33 . ASP . 50494 2 34 . ILE . 50494 2 35 . GLN . 50494 2 36 . ILE . 50494 2 37 . ARG . 50494 2 38 . PHE . 50494 2 39 . TYR . 50494 2 40 . GLU . 50494 2 41 . GLU . 50494 2 42 . GLU . 50494 2 43 . GLU . 50494 2 44 . ASN . 50494 2 45 . GLY . 50494 2 46 . GLY . 50494 2 47 . VAL . 50494 2 48 . TRP . 50494 2 49 . GLU . 50494 2 50 . GLY . 50494 2 51 . PHE . 50494 2 52 . GLY . 50494 2 53 . ASP . 50494 2 54 . PHE . 50494 2 55 . SER . 50494 2 56 . PRO . 50494 2 57 . THR . 50494 2 58 . ASP . 50494 2 59 . VAL . 50494 2 60 . HIS . 50494 2 61 . ARG . 50494 2 62 . GLN . 50494 2 63 . PHE . 50494 2 64 . ALA . 50494 2 65 . ILE . 50494 2 66 . VAL . 50494 2 67 . PHE . 50494 2 68 . LYS . 50494 2 69 . THR . 50494 2 70 . PRO . 50494 2 71 . LYS . 50494 2 72 . TYR . 50494 2 73 . LYS . 50494 2 74 . ASP . 50494 2 75 . VAL . 50494 2 76 . ASN . 50494 2 77 . ILE . 50494 2 78 . THR . 50494 2 79 . LYS . 50494 2 80 . PRO . 50494 2 81 . ALA . 50494 2 82 . SER . 50494 2 83 . VAL . 50494 2 84 . PHE . 50494 2 85 . VAL . 50494 2 86 . GLN . 50494 2 87 . LEU . 50494 2 88 . ARG . 50494 2 89 . ARG . 50494 2 90 . LYS . 50494 2 91 . SER . 50494 2 92 . ASP . 50494 2 93 . LEU . 50494 2 94 . GLU . 50494 2 95 . THR . 50494 2 96 . SER . 50494 2 97 . GLU . 50494 2 98 . PRO . 50494 2 99 . LYS . 50494 2 100 . PRO . 50494 2 101 . PHE . 50494 2 102 . LEU . 50494 2 103 . TYR . 50494 2 104 . TYR . 50494 2 105 . PRO . 50494 2 106 . GLU . 50494 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 50494 2 . SER 2 2 50494 2 . ASN 3 3 50494 2 . LEU 4 4 50494 2 . LYS 5 5 50494 2 . ILE 6 6 50494 2 . VAL 7 7 50494 2 . ARG 8 8 50494 2 . MET 9 9 50494 2 . ASP 10 10 50494 2 . ARG 11 11 50494 2 . THR 12 12 50494 2 . ALA 13 13 50494 2 . GLY 14 14 50494 2 . CYS 15 15 50494 2 . VAL 16 16 50494 2 . THR 17 17 50494 2 . GLY 18 18 50494 2 . GLY 19 19 50494 2 . GLU 20 20 50494 2 . GLU 21 21 50494 2 . ILE 22 22 50494 2 . TYR 23 23 50494 2 . LEU 24 24 50494 2 . LEU 25 25 50494 2 . CYS 26 26 50494 2 . ASP 27 27 50494 2 . LYS 28 28 50494 2 . VAL 29 29 50494 2 . GLN 30 30 50494 2 . LYS 31 31 50494 2 . ASP 32 32 50494 2 . ASP 33 33 50494 2 . ILE 34 34 50494 2 . GLN 35 35 50494 2 . ILE 36 36 50494 2 . ARG 37 37 50494 2 . PHE 38 38 50494 2 . TYR 39 39 50494 2 . GLU 40 40 50494 2 . GLU 41 41 50494 2 . GLU 42 42 50494 2 . GLU 43 43 50494 2 . ASN 44 44 50494 2 . GLY 45 45 50494 2 . GLY 46 46 50494 2 . VAL 47 47 50494 2 . TRP 48 48 50494 2 . GLU 49 49 50494 2 . GLY 50 50 50494 2 . PHE 51 51 50494 2 . GLY 52 52 50494 2 . ASP 53 53 50494 2 . PHE 54 54 50494 2 . SER 55 55 50494 2 . PRO 56 56 50494 2 . THR 57 57 50494 2 . ASP 58 58 50494 2 . VAL 59 59 50494 2 . HIS 60 60 50494 2 . ARG 61 61 50494 2 . GLN 62 62 50494 2 . PHE 63 63 50494 2 . ALA 64 64 50494 2 . ILE 65 65 50494 2 . VAL 66 66 50494 2 . PHE 67 67 50494 2 . LYS 68 68 50494 2 . THR 69 69 50494 2 . PRO 70 70 50494 2 . LYS 71 71 50494 2 . TYR 72 72 50494 2 . LYS 73 73 50494 2 . ASP 74 74 50494 2 . VAL 75 75 50494 2 . ASN 76 76 50494 2 . ILE 77 77 50494 2 . THR 78 78 50494 2 . LYS 79 79 50494 2 . PRO 80 80 50494 2 . ALA 81 81 50494 2 . SER 82 82 50494 2 . VAL 83 83 50494 2 . PHE 84 84 50494 2 . VAL 85 85 50494 2 . GLN 86 86 50494 2 . LEU 87 87 50494 2 . ARG 88 88 50494 2 . ARG 89 89 50494 2 . LYS 90 90 50494 2 . SER 91 91 50494 2 . ASP 92 92 50494 2 . LEU 93 93 50494 2 . GLU 94 94 50494 2 . THR 95 95 50494 2 . SER 96 96 50494 2 . GLU 97 97 50494 2 . PRO 98 98 50494 2 . LYS 99 99 50494 2 . PRO 100 100 50494 2 . PHE 101 101 50494 2 . LEU 102 102 50494 2 . TYR 103 103 50494 2 . TYR 104 104 50494 2 . PRO 105 105 50494 2 . GLU 106 106 50494 2 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 50494 _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 . . . . . . . . . . . . . 50494 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50494 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 50494 _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 BL21(DE3) . . plasmid . . pET11a . . . 50494 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET11a . . . 50494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50494 _Sample.ID 1 _Sample.Name RelA-p50 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 dimerization domain' '[U-99% 15N]' . . 1 $entity_1 . . 360 . . uM . . . . 50494 1 2 'p50 dimerization domain' 'natural abundance' . . 2 $entity_2 . . 396 . . uM . . . . 50494 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50494 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50494 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 50494 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 50494 _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 50494 1 pH 6.8 . pH 50494 1 pressure 1 . atm 50494 1 temperature 298 . K 50494 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50494 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50494 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50494 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50494 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50494 _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' . 50494 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50494 _Software.ID 4 _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' . 50494 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 50494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '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 50494 _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 . . . . . . . . . . . . . . . . . 50494 1 2 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50494 1 3 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50494 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 50494 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'RelA heterodimer 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' . . . 50494 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 . . 50494 1 2 $software_2 . . 50494 1 3 $software_3 . . 50494 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 0.0231 2.89E-03 . . . . . . . . . . 50494 1 2 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.2224 0.0104 . . . . . . . . . . 50494 1 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.4435 0.0151 . . . . . . . . . . 50494 1 4 . 1 1 7 7 ILE N N 15 . 1 1 7 7 ILE H H 1 0.8228 0.0604 . . . . . . . . . . 50494 1 5 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.9204 0.0804 . . . . . . . . . . 50494 1 6 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7639 0.1347 . . . . . . . . . . 50494 1 7 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.6228 2.63E-03 . . . . . . . . . . 50494 1 8 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER H H 1 0.8406 0.0584 . . . . . . . . . . 50494 1 9 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.8524 0.0101 . . . . . . . . . . 50494 1 10 . 1 1 16 16 SER N N 15 . 1 1 16 16 SER H H 1 0.7479 0.0233 . . . . . . . . . . 50494 1 11 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.8618 1.21E-03 . . . . . . . . . . 50494 1 12 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.779 0.057 . . . . . . . . . . 50494 1 13 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.7913 0.0464 . . . . . . . . . . 50494 1 14 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.81 0.0323 . . . . . . . . . . 50494 1 15 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.7879 0.0311 . . . . . . . . . . 50494 1 16 . 1 1 27 27 CYS N N 15 . 1 1 27 27 CYS H H 1 0.8891 0.0925 . . . . . . . . . . 50494 1 17 . 1 1 28 28 ASP N N 15 . 1 1 28 28 ASP H H 1 0.6553 0.0593 . . . . . . . . . . 50494 1 18 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.7073 6.58E-03 . . . . . . . . . . 50494 1 19 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.8128 0.1136 . . . . . . . . . . 50494 1 20 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.7445 0.0324 . . . . . . . . . . 50494 1 21 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.8126 0.0929 . . . . . . . . . . 50494 1 22 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.744 0.0541 . . . . . . . . . . 50494 1 23 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.8798 1.57E-03 . . . . . . . . . . 50494 1 24 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.8395 0.0686 . . . . . . . . . . 50494 1 25 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.8662 0.1728 . . . . . . . . . . 50494 1 26 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.6605 0.0432 . . . . . . . . . . 50494 1 27 . 1 1 44 44 TRP N N 15 . 1 1 44 44 TRP H H 1 0.7799 2.43E-03 . . . . . . . . . . 50494 1 28 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.8414 0.0223 . . . . . . . . . . 50494 1 29 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7664 0.0813 . . . . . . . . . . 50494 1 30 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.7313 8.20E-03 . . . . . . . . . . 50494 1 31 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.8284 0.0297 . . . . . . . . . . 50494 1 32 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.8206 0.0273 . . . . . . . . . . 50494 1 33 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.8513 0.0545 . . . . . . . . . . 50494 1 34 . 1 1 52 52 GLN N N 15 . 1 1 52 52 GLN H H 1 0.6884 0.108 . . . . . . . . . . 50494 1 35 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.8152 3.01E-04 . . . . . . . . . . 50494 1 36 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.7678 0.0216 . . . . . . . . . . 50494 1 37 . 1 1 56 56 HIS N N 15 . 1 1 56 56 HIS H H 1 0.7836 0.0694 . . . . . . . . . . 50494 1 38 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.8949 0.0572 . . . . . . . . . . 50494 1 39 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.8376 0.0995 . . . . . . . . . . 50494 1 40 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.8128 0.0518 . . . . . . . . . . 50494 1 41 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.8975 0.0634 . . . . . . . . . . 50494 1 42 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.9426 3.98E-03 . . . . . . . . . . 50494 1 43 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7353 0.0289 . . . . . . . . . . 50494 1 44 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.8405 0.142 . . . . . . . . . . 50494 1 45 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.8099 0.0379 . . . . . . . . . . 50494 1 46 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.8295 0.0111 . . . . . . . . . . 50494 1 47 . 1 1 72 72 SER N N 15 . 1 1 72 72 SER H H 1 0.6238 0.0899 . . . . . . . . . . 50494 1 48 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.5712 0.0255 . . . . . . . . . . 50494 1 49 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.7477 0.1476 . . . . . . . . . . 50494 1 50 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.7678 0.0491 . . . . . . . . . . 50494 1 51 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.7677 0.0335 . . . . . . . . . . 50494 1 52 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.7732 0.0154 . . . . . . . . . . 50494 1 53 . 1 1 79 79 VAL N N 15 . 1 1 79 79 VAL H H 1 0.756 0.1295 . . . . . . . . . . 50494 1 54 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.8996 4.77E-03 . . . . . . . . . . 50494 1 55 . 1 1 81 81 MET N N 15 . 1 1 81 81 MET H H 1 0.7951 0.0255 . . . . . . . . . . 50494 1 56 . 1 1 82 82 GLN N N 15 . 1 1 82 82 GLN H H 1 0.8163 0.06 . . . . . . . . . . 50494 1 57 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.8079 0.0207 . . . . . . . . . . 50494 1 58 . 1 1 85 85 ARG N N 15 . 1 1 85 85 ARG H H 1 0.7716 0.1357 . . . . . . . . . . 50494 1 59 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.7314 0.0403 . . . . . . . . . . 50494 1 60 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 0.7719 0.0516 . . . . . . . . . . 50494 1 61 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.8641 0.1333 . . . . . . . . . . 50494 1 62 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.8742 0.0444 . . . . . . . . . . 50494 1 63 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.6681 0.0148 . . . . . . . . . . 50494 1 64 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.7869 0.0249 . . . . . . . . . . 50494 1 65 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.7082 0.1584 . . . . . . . . . . 50494 1 66 . 1 1 95 95 MET N N 15 . 1 1 95 95 MET H H 1 0.7666 0.0592 . . . . . . . . . . 50494 1 67 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.6893 0.0718 . . . . . . . . . . 50494 1 68 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.7705 0.0572 . . . . . . . . . . 50494 1 69 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.768 0.0378 . . . . . . . . . . 50494 1 70 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.7634 9.92E-03 . . . . . . . . . . 50494 1 71 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.8257 0.0618 . . . . . . . . . . 50494 1 72 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.6395 9.47E-03 . . . . . . . . . . 50494 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 50494 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'RelA hetero R1' _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 . _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' . . . 50494 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 . . 50494 1 2 $software_2 . . 50494 1 3 $software_3 . . 50494 1 4 $software_4 . . 50494 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 1.4167 0.0291 . . . . . 50494 1 2 . 1 1 3 3 ALA N N 15 1.3894 0.0187 . . . . . 50494 1 3 . 1 1 5 5 LEU N N 15 0.848 0.0272 . . . . . 50494 1 4 . 1 1 7 7 ILE N N 15 0.5487 0.065 . . . . . 50494 1 5 . 1 1 8 8 CYS N N 15 0.4678 0.0703 . . . . . 50494 1 6 . 1 1 11 11 ASN N N 15 0.7065 0.029 . . . . . 50494 1 7 . 1 1 13 13 ASN N N 15 0.6432 0.0228 . . . . . 50494 1 8 . 1 1 14 14 SER N N 15 0.6654 0.0225 . . . . . 50494 1 9 . 1 1 15 15 GLY N N 15 0.696 0.0381 . . . . . 50494 1 10 . 1 1 16 16 SER N N 15 0.657 0.038 . . . . . 50494 1 11 . 1 1 17 17 CYS N N 15 0.6537 0.0475 . . . . . 50494 1 12 . 1 1 19 19 GLY N N 15 0.7299 0.0351 . . . . . 50494 1 13 . 1 1 20 20 GLY N N 15 0.6597 0.0516 . . . . . 50494 1 14 . 1 1 21 21 ASP N N 15 0.6259 0.0168 . . . . . 50494 1 15 . 1 1 26 26 LEU N N 15 0.7071 0.0518 . . . . . 50494 1 16 . 1 1 27 27 CYS N N 15 0.8595 0.0645 . . . . . 50494 1 17 . 1 1 28 28 ASP N N 15 0.6817 0.0372 . . . . . 50494 1 18 . 1 1 29 29 LYS N N 15 0.7242 0.0261 . . . . . 50494 1 19 . 1 1 30 30 VAL N N 15 0.6154 0.0437 . . . . . 50494 1 20 . 1 1 31 31 GLN N N 15 0.5825 0.037 . . . . . 50494 1 21 . 1 1 33 33 GLU N N 15 0.6974 0.0336 . . . . . 50494 1 22 . 1 1 34 34 ASP N N 15 0.6282 0.0276 . . . . . 50494 1 23 . 1 1 37 37 VAL N N 15 0.585 0.0452 . . . . . 50494 1 24 . 1 1 38 38 TYR N N 15 0.6676 0.0466 . . . . . 50494 1 25 . 1 1 40 40 THR N N 15 0.6547 0.0388 . . . . . 50494 1 26 . 1 1 41 41 GLY N N 15 0.6068 0.0513 . . . . . 50494 1 27 . 1 1 43 43 GLY N N 15 0.7087 0.0339 . . . . . 50494 1 28 . 1 1 44 44 TRP N N 15 0.7323 0.0175 . . . . . 50494 1 29 . 1 1 45 45 GLU N N 15 0.6809 0.0258 . . . . . 50494 1 30 . 1 1 46 46 ALA N N 15 0.6667 0.0298 . . . . . 50494 1 31 . 1 1 48 48 GLY N N 15 0.5835 0.0585 . . . . . 50494 1 32 . 1 1 49 49 SER N N 15 0.6439 0.0354 . . . . . 50494 1 33 . 1 1 50 50 PHE N N 15 0.685 0.0235 . . . . . 50494 1 34 . 1 1 51 51 SER N N 15 0.6443 0.0394 . . . . . 50494 1 35 . 1 1 52 52 GLN N N 15 0.8833 0.0745 . . . . . 50494 1 36 . 1 1 53 53 ALA N N 15 0.7624 0.0315 . . . . . 50494 1 37 . 1 1 54 54 ASP N N 15 0.6441 0.0289 . . . . . 50494 1 38 . 1 1 56 56 HIS N N 15 0.7314 0.0659 . . . . . 50494 1 39 . 1 1 58 58 GLN N N 15 0.6998 0.038 . . . . . 50494 1 40 . 1 1 59 59 VAL N N 15 0.67 0.0409 . . . . . 50494 1 41 . 1 1 60 60 ALA N N 15 0.7081 0.0273 . . . . . 50494 1 42 . 1 1 61 61 ILE N N 15 0.5932 0.0362 . . . . . 50494 1 43 . 1 1 62 62 VAL N N 15 0.635 0.0377 . . . . . 50494 1 44 . 1 1 63 63 PHE N N 15 0.6985 0.0312 . . . . . 50494 1 45 . 1 1 64 64 ARG N N 15 0.61 0.0508 . . . . . 50494 1 46 . 1 1 65 65 THR N N 15 0.528 0.0432 . . . . . 50494 1 47 . 1 1 69 69 ALA N N 15 0.6354 0.0328 . . . . . 50494 1 48 . 1 1 72 72 SER N N 15 0.6384 0.0194 . . . . . 50494 1 49 . 1 1 73 73 LEU N N 15 0.736 0.0222 . . . . . 50494 1 50 . 1 1 74 74 GLN N N 15 0.6128 0.045 . . . . . 50494 1 51 . 1 1 75 75 ALA N N 15 0.578 0.0201 . . . . . 50494 1 52 . 1 1 77 77 VAL N N 15 0.6472 0.0268 . . . . . 50494 1 53 . 1 1 78 78 ARG N N 15 0.6359 0.0227 . . . . . 50494 1 54 . 1 1 79 79 VAL N N 15 0.5747 0.0341 . . . . . 50494 1 55 . 1 1 80 80 SER N N 15 0.5718 0.0397 . . . . . 50494 1 56 . 1 1 81 81 MET N N 15 0.6887 0.0326 . . . . . 50494 1 57 . 1 1 82 82 GLN N N 15 0.6608 0.0335 . . . . . 50494 1 58 . 1 1 83 83 LEU N N 15 0.6903 0.0439 . . . . . 50494 1 59 . 1 1 85 85 ARG N N 15 0.643 0.0496 . . . . . 50494 1 60 . 1 1 87 87 SER N N 15 0.6607 0.0346 . . . . . 50494 1 61 . 1 1 88 88 ASP N N 15 0.6996 0.032 . . . . . 50494 1 62 . 1 1 89 89 ARG N N 15 0.7628 0.0402 . . . . . 50494 1 63 . 1 1 90 90 GLU N N 15 0.6658 0.025 . . . . . 50494 1 64 . 1 1 91 91 LEU N N 15 0.6217 0.03 . . . . . 50494 1 65 . 1 1 92 92 SER N N 15 0.6722 0.0363 . . . . . 50494 1 66 . 1 1 93 93 GLU N N 15 0.6579 0.0362 . . . . . 50494 1 67 . 1 1 95 95 MET N N 15 0.6574 0.0322 . . . . . 50494 1 68 . 1 1 96 96 GLU N N 15 0.6207 0.0191 . . . . . 50494 1 69 . 1 1 97 97 PHE N N 15 0.5501 0.0306 . . . . . 50494 1 70 . 1 1 98 98 GLN N N 15 0.5784 0.0322 . . . . . 50494 1 71 . 1 1 99 99 TYR N N 15 0.5711 0.0298 . . . . . 50494 1 72 . 1 1 100 100 LEU N N 15 0.5638 0.0471 . . . . . 50494 1 73 . 1 1 102 102 ASP N N 15 0.6297 0.0252 . . . . . 50494 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 50494 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'RelA-p50 hetero R2' _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' . . . 50494 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 . . 50494 1 2 $software_2 . . 50494 1 3 $software_3 . . 50494 1 4 $software_4 . . 50494 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 8.3942 0.1767 . . . . . . . 50494 1 2 . 1 1 3 3 ALA N N 15 11.0119 0.1267 . . . . . . . 50494 1 3 . 1 1 5 5 LEU N N 15 20.4428 0.4945 . . . . . . . 50494 1 4 . 1 1 7 7 ILE N N 15 30.7296 2.1175 . . . . . . . 50494 1 5 . 1 1 8 8 CYS N N 15 23.303 1.3396 . . . . . . . 50494 1 6 . 1 1 11 11 ASN N N 15 22.3036 0.5705 . . . . . . . 50494 1 7 . 1 1 13 13 ASN N N 15 24.3922 0.5318 . . . . . . . 50494 1 8 . 1 1 14 14 SER N N 15 26.4719 0.5949 . . . . . . . 50494 1 9 . 1 1 15 15 GLY N N 15 27.3313 1.1711 . . . . . . . 50494 1 10 . 1 1 16 16 SER N N 15 24.2515 0.8544 . . . . . . . 50494 1 11 . 1 1 17 17 CYS N N 15 30.8013 1.5131 . . . . . . . 50494 1 12 . 1 1 19 19 GLY N N 15 27.9986 0.9308 . . . . . . . 50494 1 13 . 1 1 20 20 GLY N N 15 28.0072 1.4114 . . . . . . . 50494 1 14 . 1 1 21 21 ASP N N 15 29.5569 0.5339 . . . . . . . 50494 1 15 . 1 1 26 26 LEU N N 15 25.4684 1.1736 . . . . . . . 50494 1 16 . 1 1 27 27 CYS N N 15 27.609 1.738 . . . . . . . 50494 1 17 . 1 1 28 28 ASP N N 15 24.192 0.6277 . . . . . . . 50494 1 18 . 1 1 29 29 LYS N N 15 22.6556 0.4961 . . . . . . . 50494 1 19 . 1 1 30 30 VAL N N 15 31.1992 1.4997 . . . . . . . 50494 1 20 . 1 1 31 31 GLN N N 15 29.2124 1.2233 . . . . . . . 50494 1 21 . 1 1 33 33 GLU N N 15 26.898 0.9387 . . . . . . . 50494 1 22 . 1 1 34 34 ASP N N 15 27.8597 0.7344 . . . . . . . 50494 1 23 . 1 1 37 37 VAL N N 15 24.6133 0.9617 . . . . . . . 50494 1 24 . 1 1 38 38 TYR N N 15 27.7235 1.3202 . . . . . . . 50494 1 25 . 1 1 40 40 THR N N 15 27.0959 0.9654 . . . . . . . 50494 1 26 . 1 1 41 41 GLY N N 15 26.1949 1.4035 . . . . . . . 50494 1 27 . 1 1 43 43 GLY N N 15 22.9994 0.6606 . . . . . . . 50494 1 28 . 1 1 44 44 TRP N N 15 23.055 0.3672 . . . . . . . 50494 1 29 . 1 1 45 45 GLU N N 15 26.9727 0.6878 . . . . . . . 50494 1 30 . 1 1 46 46 ALA N N 15 22.1639 0.6608 . . . . . . . 50494 1 31 . 1 1 48 48 GLY N N 15 26.1468 1.6467 . . . . . . . 50494 1 32 . 1 1 49 49 SER N N 15 26.3661 0.9681 . . . . . . . 50494 1 33 . 1 1 50 50 PHE N N 15 23.6923 0.5456 . . . . . . . 50494 1 34 . 1 1 51 51 SER N N 15 28.129 1.1266 . . . . . . . 50494 1 35 . 1 1 52 52 GLN N N 15 28.5389 1.7764 . . . . . . . 50494 1 36 . 1 1 53 53 ALA N N 15 28.3008 0.8054 . . . . . . . 50494 1 37 . 1 1 54 54 ASP N N 15 26.9732 0.7837 . . . . . . . 50494 1 38 . 1 1 56 56 HIS N N 15 23.6617 1.7337 . . . . . . . 50494 1 39 . 1 1 58 58 GLN N N 15 27.5476 0.9182 . . . . . . . 50494 1 40 . 1 1 59 59 VAL N N 15 29.1457 1.2446 . . . . . . . 50494 1 41 . 1 1 60 60 ALA N N 15 25.3917 0.6842 . . . . . . . 50494 1 42 . 1 1 61 61 ILE N N 15 24.1629 0.8143 . . . . . . . 50494 1 43 . 1 1 62 62 VAL N N 15 24.4447 0.8394 . . . . . . . 50494 1 44 . 1 1 63 63 PHE N N 15 22.8539 0.6286 . . . . . . . 50494 1 45 . 1 1 64 64 ARG N N 15 25.1085 1.2295 . . . . . . . 50494 1 46 . 1 1 65 65 THR N N 15 28.7319 1.466 . . . . . . . 50494 1 47 . 1 1 69 69 ALA N N 15 22.6678 0.7719 . . . . . . . 50494 1 48 . 1 1 72 72 SER N N 15 28.0616 0.6237 . . . . . . . 50494 1 49 . 1 1 73 73 LEU N N 15 21.7487 0.4588 . . . . . . . 50494 1 50 . 1 1 74 74 GLN N N 15 30.1701 1.6381 . . . . . . . 50494 1 51 . 1 1 75 75 ALA N N 15 22.818 0.5014 . . . . . . . 50494 1 52 . 1 1 77 77 VAL N N 15 26.0613 0.84 . . . . . . . 50494 1 53 . 1 1 78 78 ARG N N 15 24.3619 0.5778 . . . . . . . 50494 1 54 . 1 1 79 79 VAL N N 15 28.0807 1.1199 . . . . . . . 50494 1 55 . 1 1 80 80 SER N N 15 26.4588 1.1739 . . . . . . . 50494 1 56 . 1 1 81 81 MET N N 15 21.8325 0.7907 . . . . . . . 50494 1 57 . 1 1 82 82 GLN N N 15 24.2423 0.802 . . . . . . . 50494 1 58 . 1 1 83 83 LEU N N 15 24.7484 1.0417 . . . . . . . 50494 1 59 . 1 1 85 85 ARG N N 15 27.8149 1.4172 . . . . . . . 50494 1 60 . 1 1 87 87 SER N N 15 28.5235 1.0649 . . . . . . . 50494 1 61 . 1 1 88 88 ASP N N 15 31.8464 1.008 . . . . . . . 50494 1 62 . 1 1 89 89 ARG N N 15 30.0476 1.1913 . . . . . . . 50494 1 63 . 1 1 90 90 GLU N N 15 25.7139 0.6826 . . . . . . . 50494 1 64 . 1 1 91 91 LEU N N 15 22.8998 0.7401 . . . . . . . 50494 1 65 . 1 1 92 92 SER N N 15 22.538 0.7812 . . . . . . . 50494 1 66 . 1 1 93 93 GLU N N 15 27.8274 0.9889 . . . . . . . 50494 1 67 . 1 1 95 95 MET N N 15 24.8817 0.7722 . . . . . . . 50494 1 68 . 1 1 96 96 GLU N N 15 20.199 0.3995 . . . . . . . 50494 1 69 . 1 1 97 97 PHE N N 15 30.8562 1.0596 . . . . . . . 50494 1 70 . 1 1 98 98 GLN N N 15 27.5196 1.0877 . . . . . . . 50494 1 71 . 1 1 99 99 TYR N N 15 23.4246 0.7809 . . . . . . . 50494 1 72 . 1 1 100 100 LEU N N 15 27.5979 1.4329 . . . . . . . 50494 1 73 . 1 1 102 102 ASP N N 15 26.3086 0.6665 . . . . . . . 50494 1 stop_ save_