data_53355 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53355 _Entry.Title ; NMR assignment of the CrsL and CrsL-CarD complex from Mycobacterium smegmatis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-17 _Entry.Accession_date 2025-09-17 _Entry.Last_release_date 2025-09-17 _Entry.Original_release_date 2025-09-17 _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 'Assignment of mycobacterial transcription regulator CrsL in bound form in complex with CarD.' _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 Martin Cerny . . . 0000-0002-8231-9634 53355 2 Mahmoud Shoman . . . . 53355 3 Jarmila Hnilicova . . . 0000-0002-0953-491X 53355 4 Lukas Zidek . . . 0000-0002-8013-0336 53355 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Structure and Dynamics, CEITEC Masaryk University' . 53355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 69 53355 '15N chemical shifts' 43 53355 '1H chemical shifts' 59 53355 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 . . 2025-09-20 . original BMRB . 53355 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52735 'CrsL, a novel transcription factor in Mycobacterium smegmatis, free form' 53355 BMRB 53356 'Partial NMR assignment of the CarD transcription factor from Mycobacterium smegmatis' 53355 BMRB 53357 'Partial NMR assignment of the CarD transcription factor in complex with CrsL regulator from Mycobacterium smegmatis' 53355 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53355 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Expanding the CarD interaction network: CrsL is a novel transcription factor in Mycobacterium smegmatis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Mahmoud Shoman . . . . 53355 1 2 Jitka 'Jirat Matejckova' . . . . 53355 1 3 Marek Schwarz . . . . 53355 1 4 Martin Cerny . . . . 53355 1 5 Nabajyoti Borah . . . . 53355 1 6 Viola 'Vankova Hausnerova' . . . . 53355 1 7 Michaela Sikova . . . . 53355 1 8 Hana Sanderova . . . . 53355 1 9 Petr Halada . . . . 53355 1 10 Martin Hubalek . . . . 53355 1 11 Vera Dvorakova . . . . 53355 1 12 Martin Prevorovsky . . . . 53355 1 13 Jana Holubova . . . . 53355 1 14 Ondrej Stanek . . . . 53355 1 15 Libor Krasny . . . . 53355 1 16 Lukas Zidek . . . . 53355 1 17 Jarmila Hnilicova . . . . 53355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53355 _Assembly.ID 1 _Assembly.Name CrsL _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5970 _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 CrsL 1 $entity_1 . . yes native no yes . . . 53355 1 2 CarD 2 $entity_2 . . no native no no . 'Interacting partner in 1:1 ratio' . 53355 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 'No interaction' 53355 1 2 2 2 'Slow exchange' 53355 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Interaction leads to regulation of the major transcription factor CarD' 53355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53355 _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 ; MPAKTDPADLGDVEPLADDT ASQARRVVATYATDADECRM FLSMLGIGPSKTEVLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _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 5970 _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 'transcription factor/regulator' 53355 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53355 1 2 . PRO . 53355 1 3 . ALA . 53355 1 4 . LYS . 53355 1 5 . THR . 53355 1 6 . ASP . 53355 1 7 . PRO . 53355 1 8 . ALA . 53355 1 9 . ASP . 53355 1 10 . LEU . 53355 1 11 . GLY . 53355 1 12 . ASP . 53355 1 13 . VAL . 53355 1 14 . GLU . 53355 1 15 . PRO . 53355 1 16 . LEU . 53355 1 17 . ALA . 53355 1 18 . ASP . 53355 1 19 . ASP . 53355 1 20 . THR . 53355 1 21 . ALA . 53355 1 22 . SER . 53355 1 23 . GLN . 53355 1 24 . ALA . 53355 1 25 . ARG . 53355 1 26 . ARG . 53355 1 27 . VAL . 53355 1 28 . VAL . 53355 1 29 . ALA . 53355 1 30 . THR . 53355 1 31 . TYR . 53355 1 32 . ALA . 53355 1 33 . THR . 53355 1 34 . ASP . 53355 1 35 . ALA . 53355 1 36 . ASP . 53355 1 37 . GLU . 53355 1 38 . CYS . 53355 1 39 . ARG . 53355 1 40 . MET . 53355 1 41 . PHE . 53355 1 42 . LEU . 53355 1 43 . SER . 53355 1 44 . MET . 53355 1 45 . LEU . 53355 1 46 . GLY . 53355 1 47 . ILE . 53355 1 48 . GLY . 53355 1 49 . PRO . 53355 1 50 . SER . 53355 1 51 . LYS . 53355 1 52 . THR . 53355 1 53 . GLU . 53355 1 54 . VAL . 53355 1 55 . LEU . 53355 1 56 . GLU . 53355 1 57 . HIS . 53355 1 58 . HIS . 53355 1 59 . HIS . 53355 1 60 . HIS . 53355 1 61 . HIS . 53355 1 62 . HIS . 53355 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53355 1 . PRO 2 2 53355 1 . ALA 3 3 53355 1 . LYS 4 4 53355 1 . THR 5 5 53355 1 . ASP 6 6 53355 1 . PRO 7 7 53355 1 . ALA 8 8 53355 1 . ASP 9 9 53355 1 . LEU 10 10 53355 1 . GLY 11 11 53355 1 . ASP 12 12 53355 1 . VAL 13 13 53355 1 . GLU 14 14 53355 1 . PRO 15 15 53355 1 . LEU 16 16 53355 1 . ALA 17 17 53355 1 . ASP 18 18 53355 1 . ASP 19 19 53355 1 . THR 20 20 53355 1 . ALA 21 21 53355 1 . SER 22 22 53355 1 . GLN 23 23 53355 1 . ALA 24 24 53355 1 . ARG 25 25 53355 1 . ARG 26 26 53355 1 . VAL 27 27 53355 1 . VAL 28 28 53355 1 . ALA 29 29 53355 1 . THR 30 30 53355 1 . TYR 31 31 53355 1 . ALA 32 32 53355 1 . THR 33 33 53355 1 . ASP 34 34 53355 1 . ALA 35 35 53355 1 . ASP 36 36 53355 1 . GLU 37 37 53355 1 . CYS 38 38 53355 1 . ARG 39 39 53355 1 . MET 40 40 53355 1 . PHE 41 41 53355 1 . LEU 42 42 53355 1 . SER 43 43 53355 1 . MET 44 44 53355 1 . LEU 45 45 53355 1 . GLY 46 46 53355 1 . ILE 47 47 53355 1 . GLY 48 48 53355 1 . PRO 49 49 53355 1 . SER 50 50 53355 1 . LYS 51 51 53355 1 . THR 52 52 53355 1 . GLU 53 53 53355 1 . VAL 54 54 53355 1 . LEU 55 55 53355 1 . GLU 56 56 53355 1 . HIS 57 57 53355 1 . HIS 58 58 53355 1 . HIS 59 59 53355 1 . HIS 60 60 53355 1 . HIS 61 61 53355 1 . HIS 62 62 53355 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53355 _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 ; GMIFKVGDTVVYPHHGAALI EAIETRTIKGEQKEYLVLKV AQGDLTVRVPADNAEYVGVR DVVGQEGLDKVFQVLRAPHT EEPTNWSRRYKANLEKLASG DVNKVAEVVRDLWRRDQERG LSAGEKRMLAKARQILVGEL ALAENTDDAKAETILDEVLA AAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17991.44 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Non-labeled interaction partner after N-term His-tag TEV cleavage' _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 'Global transcription factor' 53355 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 . GLY . 53355 2 2 . MET . 53355 2 3 . ILE . 53355 2 4 . PHE . 53355 2 5 . LYS . 53355 2 6 . VAL . 53355 2 7 . GLY . 53355 2 8 . ASP . 53355 2 9 . THR . 53355 2 10 . VAL . 53355 2 11 . VAL . 53355 2 12 . TYR . 53355 2 13 . PRO . 53355 2 14 . HIS . 53355 2 15 . HIS . 53355 2 16 . GLY . 53355 2 17 . ALA . 53355 2 18 . ALA . 53355 2 19 . LEU . 53355 2 20 . ILE . 53355 2 21 . GLU . 53355 2 22 . ALA . 53355 2 23 . ILE . 53355 2 24 . GLU . 53355 2 25 . THR . 53355 2 26 . ARG . 53355 2 27 . THR . 53355 2 28 . ILE . 53355 2 29 . LYS . 53355 2 30 . GLY . 53355 2 31 . GLU . 53355 2 32 . GLN . 53355 2 33 . LYS . 53355 2 34 . GLU . 53355 2 35 . TYR . 53355 2 36 . LEU . 53355 2 37 . VAL . 53355 2 38 . LEU . 53355 2 39 . LYS . 53355 2 40 . VAL . 53355 2 41 . ALA . 53355 2 42 . GLN . 53355 2 43 . GLY . 53355 2 44 . ASP . 53355 2 45 . LEU . 53355 2 46 . THR . 53355 2 47 . VAL . 53355 2 48 . ARG . 53355 2 49 . VAL . 53355 2 50 . PRO . 53355 2 51 . ALA . 53355 2 52 . ASP . 53355 2 53 . ASN . 53355 2 54 . ALA . 53355 2 55 . GLU . 53355 2 56 . TYR . 53355 2 57 . VAL . 53355 2 58 . GLY . 53355 2 59 . VAL . 53355 2 60 . ARG . 53355 2 61 . ASP . 53355 2 62 . VAL . 53355 2 63 . VAL . 53355 2 64 . GLY . 53355 2 65 . GLN . 53355 2 66 . GLU . 53355 2 67 . GLY . 53355 2 68 . LEU . 53355 2 69 . ASP . 53355 2 70 . LYS . 53355 2 71 . VAL . 53355 2 72 . PHE . 53355 2 73 . GLN . 53355 2 74 . VAL . 53355 2 75 . LEU . 53355 2 76 . ARG . 53355 2 77 . ALA . 53355 2 78 . PRO . 53355 2 79 . HIS . 53355 2 80 . THR . 53355 2 81 . GLU . 53355 2 82 . GLU . 53355 2 83 . PRO . 53355 2 84 . THR . 53355 2 85 . ASN . 53355 2 86 . TRP . 53355 2 87 . SER . 53355 2 88 . ARG . 53355 2 89 . ARG . 53355 2 90 . TYR . 53355 2 91 . LYS . 53355 2 92 . ALA . 53355 2 93 . ASN . 53355 2 94 . LEU . 53355 2 95 . GLU . 53355 2 96 . LYS . 53355 2 97 . LEU . 53355 2 98 . ALA . 53355 2 99 . SER . 53355 2 100 . GLY . 53355 2 101 . ASP . 53355 2 102 . VAL . 53355 2 103 . ASN . 53355 2 104 . LYS . 53355 2 105 . VAL . 53355 2 106 . ALA . 53355 2 107 . GLU . 53355 2 108 . VAL . 53355 2 109 . VAL . 53355 2 110 . ARG . 53355 2 111 . ASP . 53355 2 112 . LEU . 53355 2 113 . TRP . 53355 2 114 . ARG . 53355 2 115 . ARG . 53355 2 116 . ASP . 53355 2 117 . GLN . 53355 2 118 . GLU . 53355 2 119 . ARG . 53355 2 120 . GLY . 53355 2 121 . LEU . 53355 2 122 . SER . 53355 2 123 . ALA . 53355 2 124 . GLY . 53355 2 125 . GLU . 53355 2 126 . LYS . 53355 2 127 . ARG . 53355 2 128 . MET . 53355 2 129 . LEU . 53355 2 130 . ALA . 53355 2 131 . LYS . 53355 2 132 . ALA . 53355 2 133 . ARG . 53355 2 134 . GLN . 53355 2 135 . ILE . 53355 2 136 . LEU . 53355 2 137 . VAL . 53355 2 138 . GLY . 53355 2 139 . GLU . 53355 2 140 . LEU . 53355 2 141 . ALA . 53355 2 142 . LEU . 53355 2 143 . ALA . 53355 2 144 . GLU . 53355 2 145 . ASN . 53355 2 146 . THR . 53355 2 147 . ASP . 53355 2 148 . ASP . 53355 2 149 . ALA . 53355 2 150 . LYS . 53355 2 151 . ALA . 53355 2 152 . GLU . 53355 2 153 . THR . 53355 2 154 . ILE . 53355 2 155 . LEU . 53355 2 156 . ASP . 53355 2 157 . GLU . 53355 2 158 . VAL . 53355 2 159 . LEU . 53355 2 160 . ALA . 53355 2 161 . ALA . 53355 2 162 . ALA . 53355 2 163 . SER . 53355 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 . GLY 1 1 53355 2 . MET 2 2 53355 2 . ILE 3 3 53355 2 . PHE 4 4 53355 2 . LYS 5 5 53355 2 . VAL 6 6 53355 2 . GLY 7 7 53355 2 . ASP 8 8 53355 2 . THR 9 9 53355 2 . VAL 10 10 53355 2 . VAL 11 11 53355 2 . TYR 12 12 53355 2 . PRO 13 13 53355 2 . HIS 14 14 53355 2 . HIS 15 15 53355 2 . GLY 16 16 53355 2 . ALA 17 17 53355 2 . ALA 18 18 53355 2 . LEU 19 19 53355 2 . ILE 20 20 53355 2 . GLU 21 21 53355 2 . ALA 22 22 53355 2 . ILE 23 23 53355 2 . GLU 24 24 53355 2 . THR 25 25 53355 2 . ARG 26 26 53355 2 . THR 27 27 53355 2 . ILE 28 28 53355 2 . LYS 29 29 53355 2 . GLY 30 30 53355 2 . GLU 31 31 53355 2 . GLN 32 32 53355 2 . LYS 33 33 53355 2 . GLU 34 34 53355 2 . TYR 35 35 53355 2 . LEU 36 36 53355 2 . VAL 37 37 53355 2 . LEU 38 38 53355 2 . LYS 39 39 53355 2 . VAL 40 40 53355 2 . ALA 41 41 53355 2 . GLN 42 42 53355 2 . GLY 43 43 53355 2 . ASP 44 44 53355 2 . LEU 45 45 53355 2 . THR 46 46 53355 2 . VAL 47 47 53355 2 . ARG 48 48 53355 2 . VAL 49 49 53355 2 . PRO 50 50 53355 2 . ALA 51 51 53355 2 . ASP 52 52 53355 2 . ASN 53 53 53355 2 . ALA 54 54 53355 2 . GLU 55 55 53355 2 . TYR 56 56 53355 2 . VAL 57 57 53355 2 . GLY 58 58 53355 2 . VAL 59 59 53355 2 . ARG 60 60 53355 2 . ASP 61 61 53355 2 . VAL 62 62 53355 2 . VAL 63 63 53355 2 . GLY 64 64 53355 2 . GLN 65 65 53355 2 . GLU 66 66 53355 2 . GLY 67 67 53355 2 . LEU 68 68 53355 2 . ASP 69 69 53355 2 . LYS 70 70 53355 2 . VAL 71 71 53355 2 . PHE 72 72 53355 2 . GLN 73 73 53355 2 . VAL 74 74 53355 2 . LEU 75 75 53355 2 . ARG 76 76 53355 2 . ALA 77 77 53355 2 . PRO 78 78 53355 2 . HIS 79 79 53355 2 . THR 80 80 53355 2 . GLU 81 81 53355 2 . GLU 82 82 53355 2 . PRO 83 83 53355 2 . THR 84 84 53355 2 . ASN 85 85 53355 2 . TRP 86 86 53355 2 . SER 87 87 53355 2 . ARG 88 88 53355 2 . ARG 89 89 53355 2 . TYR 90 90 53355 2 . LYS 91 91 53355 2 . ALA 92 92 53355 2 . ASN 93 93 53355 2 . LEU 94 94 53355 2 . GLU 95 95 53355 2 . LYS 96 96 53355 2 . LEU 97 97 53355 2 . ALA 98 98 53355 2 . SER 99 99 53355 2 . GLY 100 100 53355 2 . ASP 101 101 53355 2 . VAL 102 102 53355 2 . ASN 103 103 53355 2 . LYS 104 104 53355 2 . VAL 105 105 53355 2 . ALA 106 106 53355 2 . GLU 107 107 53355 2 . VAL 108 108 53355 2 . VAL 109 109 53355 2 . ARG 110 110 53355 2 . ASP 111 111 53355 2 . LEU 112 112 53355 2 . TRP 113 113 53355 2 . ARG 114 114 53355 2 . ARG 115 115 53355 2 . ASP 116 116 53355 2 . GLN 117 117 53355 2 . GLU 118 118 53355 2 . ARG 119 119 53355 2 . GLY 120 120 53355 2 . LEU 121 121 53355 2 . SER 122 122 53355 2 . ALA 123 123 53355 2 . GLY 124 124 53355 2 . GLU 125 125 53355 2 . LYS 126 126 53355 2 . ARG 127 127 53355 2 . MET 128 128 53355 2 . LEU 129 129 53355 2 . ALA 130 130 53355 2 . LYS 131 131 53355 2 . ALA 132 132 53355 2 . ARG 133 133 53355 2 . GLN 134 134 53355 2 . ILE 135 135 53355 2 . LEU 136 136 53355 2 . VAL 137 137 53355 2 . GLY 138 138 53355 2 . GLU 139 139 53355 2 . LEU 140 140 53355 2 . ALA 141 141 53355 2 . LEU 142 142 53355 2 . ALA 143 143 53355 2 . GLU 144 144 53355 2 . ASN 145 145 53355 2 . THR 146 146 53355 2 . ASP 147 147 53355 2 . ASP 148 148 53355 2 . ALA 149 149 53355 2 . LYS 150 150 53355 2 . ALA 151 151 53355 2 . GLU 152 152 53355 2 . THR 153 153 53355 2 . ILE 154 154 53355 2 . LEU 155 155 53355 2 . ASP 156 156 53355 2 . GLU 157 157 53355 2 . VAL 158 158 53355 2 . LEU 159 159 53355 2 . ALA 160 160 53355 2 . ALA 161 161 53355 2 . ALA 162 162 53355 2 . SER 163 163 53355 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 53355 _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 . 1772 organism . 'Mycobacterium smegmatis' 'Mycobacterium smegmatis' . . Bacteria . Mycobacterium smegmatis . . . . . . . . . . . MSMEG_5890 . 53355 1 2 2 $entity_2 . 1772 organism . 'Mycobacterium smegmatis' 'Mycobacterium smegmatis' . . Bacteria . Mycobacterium smegmatis . . . . . . . . . . . MSMEG_6077 . 53355 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 53355 _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 LK3499 DE3 . plasmid . . pET22b . . . 53355 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli LK3209 DE3 . plasmid . . pET302 . . . 53355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53355 _Sample.ID 1 _Sample.Name '13C 15N CrsL' _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 CrsL '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 53355 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53355 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 53355 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 53355 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 53355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53355 _Sample.ID 2 _Sample.Name '13C 15N CrsL in complex with CarD' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4Mm labeled CrsL with 0.8 mM unlabeled CarD (mycobacterial transcription factor)' _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 CrsL '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 53355 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53355 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 53355 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 53355 2 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 53355 2 6 CarD 'natural abundance' . . 2 $entity_2 . . 0.8 . . mM . . . . 53355 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53355 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Measurement conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 53355 1 pressure 1 . atm 53355 1 temperature 300.15 . K 53355 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53355 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53355 1 'peak picking' . 53355 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53355 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version '4.0.9, 4.1.4' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53355 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53355 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version 11.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53355 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53355 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53355 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 53355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53355 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 53355 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL free' 53355 1 2 '3D CBCA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL free' 53355 1 3 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL free' 53355 1 4 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL free' 53355 1 5 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL free' 53355 1 6 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 7 '3D CBCA(CO)NH' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 8 '3D HNCACB' yes no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 9 '3D HNCA' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 10 '3D 1H-15N NOESY' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 11 '3D 1H-15N TOCSY' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'CrsL bound to CarD, 1:2 molar ratio' 53355 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 6 '2D 1H-15N HSQC' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . hsqc_ser 53355 1 7 '3D CBCA(CO)NH' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . cbcaconh_850_ser 53355 1 8 '3D HNCACB' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . hncacb_850_ser 53355 1 9 '3D HNCA' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . hnca_ser 53355 1 10 '3D 1H-15N NOESY' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . noesyhsqc_ser 53355 1 11 '3D 1H-15N TOCSY' BMRB52735_specradep_complex.tar.gz . 'Time-domain (raw spectral data)' . hsqctocsy_850_ser 53355 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name standard_ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.25145020045668346784 . . . . . 53355 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 na indirect 1 . . . . . 53355 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.10132912041080466785 . . . . . 53355 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CrsL_complex.shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 53355 1 7 '3D CBCA(CO)NH' . . . 53355 1 8 '3D HNCACB' . . . 53355 1 9 '3D HNCA' . . . 53355 1 10 '3D 1H-15N NOESY' . . . 53355 1 11 '3D 1H-15N TOCSY' . . . 53355 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53355 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO CA C 13 62.95 . . . . . . . . 2 P CA . 53355 1 2 . 1 . 1 2 2 PRO CB C 13 34.59 . . . . . . . . 2 P CB . 53355 1 3 . 1 . 1 3 3 ALA H H 1 8.566 . . . . . . . . 3 A H . 53355 1 4 . 1 . 1 3 3 ALA CA C 13 52.79 . . . . . . . . 3 A CA . 53355 1 5 . 1 . 1 3 3 ALA CB C 13 19.59 . . . . . . . . 3 A CB . 53355 1 6 . 1 . 1 3 3 ALA N N 15 124.5 . . . . . . . . 3 A N . 53355 1 7 . 1 . 1 4 4 LYS H H 1 8.423 . . . . . . . . 4 K H . 53355 1 8 . 1 . 1 4 4 LYS CA C 13 56.37 . . . . . . . . 4 K CA . 53355 1 9 . 1 . 1 4 4 LYS CB C 13 33.26 . . . . . . . . 4 K CB . 53355 1 10 . 1 . 1 4 4 LYS N N 15 121.2 . . . . . . . . 4 K N . 53355 1 11 . 1 . 1 5 5 THR H H 1 8.185 . . . . . . . . 5 T H . 53355 1 12 . 1 . 1 5 5 THR CA C 13 61.55 . . . . . . . . 5 T CA . 53355 1 13 . 1 . 1 5 5 THR N N 15 118.3 . . . . . . . . 5 T N . 53355 1 14 . 1 . 1 6 6 ASP H H 1 8.359 . . . . . . . . 6 D H . 53355 1 15 . 1 . 1 6 6 ASP HB2 H 1 2.738 . . . . . . . . 6 D HB2 . 53355 1 16 . 1 . 1 6 6 ASP HB3 H 1 2.498 . . . . . . . . 6 D HB3 . 53355 1 17 . 1 . 1 6 6 ASP CA C 13 52.26 . . . . . . . . 6 D CA . 53355 1 18 . 1 . 1 6 6 ASP CB C 13 41.77 . . . . . . . . 6 D CB . 53355 1 19 . 1 . 1 6 6 ASP N N 15 124.7 . . . . . . . . 6 D N . 53355 1 20 . 1 . 1 7 7 PRO HA H 1 3.772 . . . . . . . . 7 P HA . 53355 1 21 . 1 . 1 7 7 PRO CA C 13 63.85 . . . . . . . . 7 P CA . 53355 1 22 . 1 . 1 7 7 PRO CB C 13 32.19 . . . . . . . . 7 P CB . 53355 1 23 . 1 . 1 8 8 ALA H H 1 8.383 . . . . . . . . 8 A H . 53355 1 24 . 1 . 1 8 8 ALA HA H 1 4.280 . . . . . . . . 8 A HA . 53355 1 25 . 1 . 1 8 8 ALA HB1 H 1 1.335 . . . . . . . . 8 A HB . 53355 1 26 . 1 . 1 8 8 ALA HB2 H 1 1.335 . . . . . . . . 8 A HB . 53355 1 27 . 1 . 1 8 8 ALA HB3 H 1 1.335 . . . . . . . . 8 A HB . 53355 1 28 . 1 . 1 8 8 ALA CA C 13 52.66 . . . . . . . . 8 A CA . 53355 1 29 . 1 . 1 8 8 ALA CB C 13 19.24 . . . . . . . . 8 A CB . 53355 1 30 . 1 . 1 8 8 ALA N N 15 122.0 . . . . . . . . 8 A N . 53355 1 31 . 1 . 1 9 9 ASP H H 1 8.009 . . . . . . . . 9 D H . 53355 1 32 . 1 . 1 9 9 ASP HB2 H 1 2.740 . . . . . . . . 9 D HB2 . 53355 1 33 . 1 . 1 9 9 ASP HB3 H 1 2.585 . . . . . . . . 9 D HB3 . 53355 1 34 . 1 . 1 9 9 ASP CA C 13 54.31 . . . . . . . . 9 D CA . 53355 1 35 . 1 . 1 9 9 ASP CB C 13 41.48 . . . . . . . . 9 D CB . 53355 1 36 . 1 . 1 9 9 ASP N N 15 118.8 . . . . . . . . 9 D N . 53355 1 37 . 1 . 1 10 10 LEU H H 1 8.096 . . . . . . . . 10 L H . 53355 1 38 . 1 . 1 10 10 LEU CA C 13 55.38 . . . . . . . . 10 L CA . 53355 1 39 . 1 . 1 10 10 LEU CB C 13 42.43 . . . . . . . . 10 L CB . 53355 1 40 . 1 . 1 10 10 LEU N N 15 122.5 . . . . . . . . 10 L N . 53355 1 41 . 1 . 1 11 11 GLY H H 1 8.264 . . . . . . . . 11 G H . 53355 1 42 . 1 . 1 11 11 GLY HA2 H 1 3.888 . . . . . . . . 11 G HA2 . 53355 1 43 . 1 . 1 11 11 GLY CA C 13 45.22 . . . . . . . . 11 G CA . 53355 1 44 . 1 . 1 11 11 GLY N N 15 108.2 . . . . . . . . 11 G N . 53355 1 45 . 1 . 1 12 12 ASP H H 1 8.179 . . . . . . . . 12 D H . 53355 1 46 . 1 . 1 12 12 ASP HB2 H 1 2.646 . . . . . . . . 12 D HB2 . 53355 1 47 . 1 . 1 12 12 ASP HB3 H 1 2.489 . . . . . . . . 12 D HB3 . 53355 1 48 . 1 . 1 12 12 ASP CA C 13 54.35 . . . . . . . . 12 D CA . 53355 1 49 . 1 . 1 12 12 ASP CB C 13 41.54 . . . . . . . . 12 D CB . 53355 1 50 . 1 . 1 12 12 ASP N N 15 120.1 . . . . . . . . 12 D N . 53355 1 51 . 1 . 1 13 13 VAL H H 1 8.100 . . . . . . . . 13 V H . 53355 1 52 . 1 . 1 13 13 VAL HB H 1 1.986 . . . . . . . . 13 V HB . 53355 1 53 . 1 . 1 13 13 VAL CA C 13 61.78 . . . . . . . . 13 V CA . 53355 1 54 . 1 . 1 13 13 VAL CB C 13 33.17 . . . . . . . . 13 V CB . 53355 1 55 . 1 . 1 13 13 VAL N N 15 120.1 . . . . . . . . 13 V N . 53355 1 56 . 1 . 1 14 14 GLU H H 1 8.400 . . . . . . . . 14 E H . 53355 1 57 . 1 . 1 14 14 GLU CA C 13 54.36 . . . . . . . . 14 E CA . 53355 1 58 . 1 . 1 14 14 GLU CB C 13 29.98 . . . . . . . . 14 E CB . 53355 1 59 . 1 . 1 14 14 GLU N N 15 127.3 . . . . . . . . 14 E N . 53355 1 60 . 1 . 1 15 15 PRO CA C 13 62.77 . . . . . . . . 15 P CA . 53355 1 61 . 1 . 1 15 15 PRO CB C 13 32.30 . . . . . . . . 15 P CB . 53355 1 62 . 1 . 1 16 16 LEU H H 1 8.312 . . . . . . . . 16 L H . 53355 1 63 . 1 . 1 16 16 LEU CA C 13 54.65 . . . . . . . . 16 L CA . 53355 1 64 . 1 . 1 16 16 LEU CB C 13 42.75 . . . . . . . . 16 L CB . 53355 1 65 . 1 . 1 16 16 LEU N N 15 122.8 . . . . . . . . 16 L N . 53355 1 66 . 1 . 1 17 17 ALA H H 1 8.487 . . . . . . . . 17 A H . 53355 1 67 . 1 . 1 17 17 ALA CA C 13 52.12 . . . . . . . . 17 A CA . 53355 1 68 . 1 . 1 17 17 ALA CB C 13 19.58 . . . . . . . . 17 A CB . 53355 1 69 . 1 . 1 17 17 ALA N N 15 127.0 . . . . . . . . 17 A N . 53355 1 70 . 1 . 1 18 18 ASP H H 1 8.572 . . . . . . . . 18 D H . 53355 1 71 . 1 . 1 18 18 ASP CA C 13 56.67 . . . . . . . . 18 D CA . 53355 1 72 . 1 . 1 18 18 ASP N N 15 121.5 . . . . . . . . 18 D N . 53355 1 73 . 1 . 1 19 19 ASP H H 1 8.744 . . . . . . . . 19 D H . 53355 1 74 . 1 . 1 19 19 ASP CA C 13 56.38 . . . . . . . . 19 D CA . 53355 1 75 . 1 . 1 19 19 ASP N N 15 119.3 . . . . . . . . 19 D N . 53355 1 76 . 1 . 1 20 20 THR H H 1 7.650 . . . . . . . . 20 T H . 53355 1 77 . 1 . 1 20 20 THR CA C 13 65.92 . . . . . . . . 20 T CA . 53355 1 78 . 1 . 1 20 20 THR N N 15 118.2 . . . . . . . . 20 T N . 53355 1 79 . 1 . 1 21 21 ALA H H 1 8.192 . . . . . . . . 21 A H . 53355 1 80 . 1 . 1 21 21 ALA CA C 13 55.70 . . . . . . . . 21 A CA . 53355 1 81 . 1 . 1 21 21 ALA N N 15 122.8 . . . . . . . . 21 A N . 53355 1 82 . 1 . 1 22 22 SER H H 1 8.256 . . . . . . . . 22 S H . 53355 1 83 . 1 . 1 22 22 SER CA C 13 62.07 . . . . . . . . 22 S CA . 53355 1 84 . 1 . 1 22 22 SER N N 15 112.7 . . . . . . . . 22 S N . 53355 1 85 . 1 . 1 23 23 GLN H H 1 7.846 . . . . . . . . 23 Q H . 53355 1 86 . 1 . 1 23 23 GLN CA C 13 58.56 . . . . . . . . 23 Q CA . 53355 1 87 . 1 . 1 23 23 GLN N N 15 121.4 . . . . . . . . 23 Q N . 53355 1 88 . 1 . 1 24 24 ALA H H 1 8.360 . . . . . . . . 24 A H . 53355 1 89 . 1 . 1 24 24 ALA CA C 13 55.58 . . . . . . . . 24 A CA . 53355 1 90 . 1 . 1 24 24 ALA N N 15 120.3 . . . . . . . . 24 A N . 53355 1 91 . 1 . 1 25 25 ARG H H 1 8.451 . . . . . . . . 25 R H . 53355 1 92 . 1 . 1 25 25 ARG CA C 13 60.76 . . . . . . . . 25 R CA . 53355 1 93 . 1 . 1 25 25 ARG N N 15 116.4 . . . . . . . . 25 R N . 53355 1 94 . 1 . 1 26 26 ARG H H 1 7.249 . . . . . . . . 26 R H . 53355 1 95 . 1 . 1 26 26 ARG CA C 13 59.89 . . . . . . . . 26 R CA . 53355 1 96 . 1 . 1 26 26 ARG N N 15 116.9 . . . . . . . . 26 R N . 53355 1 97 . 1 . 1 27 27 VAL H H 1 7.662 . . . . . . . . 27 V H . 53355 1 98 . 1 . 1 27 27 VAL CA C 13 67.00 . . . . . . . . 27 V CA . 53355 1 99 . 1 . 1 27 27 VAL N N 15 121.8 . . . . . . . . 27 V N . 53355 1 100 . 1 . 1 28 28 VAL H H 1 8.535 . . . . . . . . 28 V H . 53355 1 101 . 1 . 1 28 28 VAL CA C 13 66.71 . . . . . . . . 28 V CA . 53355 1 102 . 1 . 1 28 28 VAL N N 15 120.1 . . . . . . . . 28 V N . 53355 1 103 . 1 . 1 29 29 ALA H H 1 8.007 . . . . . . . . 29 A H . 53355 1 104 . 1 . 1 29 29 ALA CA C 13 55.00 . . . . . . . . 29 A CA . 53355 1 105 . 1 . 1 29 29 ALA N N 15 118.0 . . . . . . . . 29 A N . 53355 1 106 . 1 . 1 30 30 THR H H 1 7.383 . . . . . . . . 30 T H . 53355 1 107 . 1 . 1 30 30 THR CA C 13 66.74 . . . . . . . . 30 T CA . 53355 1 108 . 1 . 1 30 30 THR N N 15 111.1 . . . . . . . . 30 T N . 53355 1 109 . 1 . 1 31 31 TYR H H 1 7.103 . . . . . . . . 31 Y H . 53355 1 110 . 1 . 1 31 31 TYR CA C 13 60.09 . . . . . . . . 31 Y CA . 53355 1 111 . 1 . 1 31 31 TYR N N 15 119.3 . . . . . . . . 31 Y N . 53355 1 112 . 1 . 1 32 32 ALA H H 1 7.712 . . . . . . . . 32 A H . 53355 1 113 . 1 . 1 32 32 ALA CA C 13 51.71 . . . . . . . . 32 A CA . 53355 1 114 . 1 . 1 32 32 ALA N N 15 123.1 . . . . . . . . 32 A N . 53355 1 115 . 1 . 1 33 33 THR H H 1 9.566 . . . . . . . . 33 T H . 53355 1 116 . 1 . 1 33 33 THR CA C 13 65.25 . . . . . . . . 33 T CA . 53355 1 117 . 1 . 1 33 33 THR N N 15 116.6 . . . . . . . . 33 T N . 53355 1 118 . 1 . 1 34 34 ASP H H 1 7.272 . . . . . . . . 34 D H . 53355 1 119 . 1 . 1 34 34 ASP CA C 13 52.40 . . . . . . . . 34 D CA . 53355 1 120 . 1 . 1 34 34 ASP N N 15 114.6 . . . . . . . . 34 D N . 53355 1 121 . 1 . 1 36 36 ASP H H 1 8.152 . . . . . . . . 36 D H . 53355 1 122 . 1 . 1 36 36 ASP CA C 13 57.78 . . . . . . . . 36 D CA . 53355 1 123 . 1 . 1 36 36 ASP N N 15 119.6 . . . . . . . . 36 D N . 53355 1 124 . 1 . 1 45 45 LEU H H 1 7.729 . . . . . . . . 45 L H . 53355 1 125 . 1 . 1 45 45 LEU CA C 13 55.80 . . . . . . . . 45 L CA . 53355 1 126 . 1 . 1 45 45 LEU N N 15 115.8 . . . . . . . . 45 L N . 53355 1 127 . 1 . 1 46 46 GLY H H 1 7.615 . . . . . . . . 46 G H . 53355 1 128 . 1 . 1 46 46 GLY CA C 13 45.93 . . . . . . . . 46 G CA . 53355 1 129 . 1 . 1 46 46 GLY N N 15 107.2 . . . . . . . . 46 G N . 53355 1 130 . 1 . 1 47 47 ILE H H 1 7.779 . . . . . . . . 47 I H . 53355 1 131 . 1 . 1 47 47 ILE CA C 13 60.07 . . . . . . . . 47 I CA . 53355 1 132 . 1 . 1 47 47 ILE N N 15 111.0 . . . . . . . . 47 I N . 53355 1 133 . 1 . 1 48 48 GLY H H 1 8.213 . . . . . . . . 48 G H . 53355 1 134 . 1 . 1 48 48 GLY CA C 13 44.71 . . . . . . . . 48 G CA . 53355 1 135 . 1 . 1 48 48 GLY N N 15 111.2 . . . . . . . . 48 G N . 53355 1 136 . 1 . 1 49 49 PRO CA C 13 69.07 . . . . . . . . 49 P CA . 53355 1 137 . 1 . 1 50 50 SER H H 1 8.404 . . . . . . . . 50 S H . 53355 1 138 . 1 . 1 50 50 SER CA C 13 62.76 . . . . . . . . 50 S CA . 53355 1 139 . 1 . 1 50 50 SER CB C 13 69.70 . . . . . . . . 50 S CB . 53355 1 140 . 1 . 1 50 50 SER N N 15 118.0 . . . . . . . . 50 S N . 53355 1 141 . 1 . 1 51 51 LYS H H 1 8.307 . . . . . . . . 51 K H . 53355 1 142 . 1 . 1 51 51 LYS CA C 13 56.87 . . . . . . . . 51 K CA . 53355 1 143 . 1 . 1 51 51 LYS CB C 13 33.20 . . . . . . . . 51 K CB . 53355 1 144 . 1 . 1 51 51 LYS N N 15 123.8 . . . . . . . . 51 K N . 53355 1 145 . 1 . 1 52 52 THR H H 1 8.128 . . . . . . . . 52 T H . 53355 1 146 . 1 . 1 52 52 THR CA C 13 62.85 . . . . . . . . 52 T CA . 53355 1 147 . 1 . 1 52 52 THR CB C 13 69.76 . . . . . . . . 52 T CB . 53355 1 148 . 1 . 1 52 52 THR N N 15 115.1 . . . . . . . . 52 T N . 53355 1 149 . 1 . 1 53 53 GLU H H 1 8.242 . . . . . . . . 53 E H . 53355 1 150 . 1 . 1 53 53 GLU HA H 1 4.216 . . . . . . . . 53 E HA . 53355 1 151 . 1 . 1 53 53 GLU HB3 H 1 1.951 . . . . . . . . 53 E HB3 . 53355 1 152 . 1 . 1 53 53 GLU HG2 H 1 2.199 . . . . . . . . 53 E HG2 . 53355 1 153 . 1 . 1 53 53 GLU CA C 13 57.07 . . . . . . . . 53 E CA . 53355 1 154 . 1 . 1 53 53 GLU CB C 13 30.63 . . . . . . . . 53 E CB . 53355 1 155 . 1 . 1 53 53 GLU N N 15 123.7 . . . . . . . . 53 E N . 53355 1 156 . 1 . 1 54 54 VAL H H 1 8.104 . . . . . . . . 54 V H . 53355 1 157 . 1 . 1 54 54 VAL CA C 13 62.85 . . . . . . . . 54 V CA . 53355 1 158 . 1 . 1 54 54 VAL CB C 13 32.72 . . . . . . . . 54 V CB . 53355 1 159 . 1 . 1 54 54 VAL N N 15 121.3 . . . . . . . . 54 V N . 53355 1 160 . 1 . 1 55 55 LEU H H 1 8.209 . . . . . . . . 55 L H . 53355 1 161 . 1 . 1 55 55 LEU CA C 13 55.28 . . . . . . . . 55 L CA . 53355 1 162 . 1 . 1 55 55 LEU CB C 13 42.50 . . . . . . . . 55 L CB . 53355 1 163 . 1 . 1 55 55 LEU N N 15 125.5 . . . . . . . . 55 L N . 53355 1 164 . 1 . 1 56 56 GLU H H 1 8.247 . . . . . . . . 56 E H . 53355 1 165 . 1 . 1 56 56 GLU CA C 13 56.79 . . . . . . . . 56 E CA . 53355 1 166 . 1 . 1 56 56 GLU CB C 13 30.57 . . . . . . . . 56 E CB . 53355 1 167 . 1 . 1 56 56 GLU N N 15 121.2 . . . . . . . . 56 E N . 53355 1 168 . 1 . 1 60 60 HIS H H 1 8.127 . . . . . . . . 60 H H . 53355 1 169 . 1 . 1 60 60 HIS CA C 13 56.62 . . . . . . . . 60 H CA . 53355 1 170 . 1 . 1 60 60 HIS CB C 13 30.99 . . . . . . . . 60 H CB . 53355 1 171 . 1 . 1 60 60 HIS N N 15 119.9 . . . . . . . . 60 H N . 53355 1 stop_ save_