data_15967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15967 _Entry.Title ; Structural characterization of IscU and its interaction with HscB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-28 _Entry.Accession_date 2008-09-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 'Jin Hae' Kim . . . 15967 2 Anna Fuzery . K. . 15967 3 Tonelli Marco . . . 15967 4 Westler William . M. . 15967 5 John Markley . L. . 15967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 77 15967 '1H chemical shifts' 77 15967 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 2 . . 2009-07-01 2009-06-11 update BMRB 'complete entry citation' 15967 1 . . 2008-09-28 2009-06-11 original author 'original release' 15967 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7432 'Chemical shifts, T1, T2, and NOE of IscU(D39A)' 15967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19492851 _Citation.Full_citation . _Citation.Title 'Structure and Dynamics of the Iron-Sulfur Cluster Assembly Scaffold Protein IscU and Its Interaction with the Cochaperone HscB.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 26 _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 6062 _Citation.Page_last 6071 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 'Jin Hae' Kim . . . 15967 1 2 Anna Fuzery . K. . 15967 1 3 Marco Tonelli . . . 15967 1 4 Dennis Ta . T. . 15967 1 5 William Westler . M. . 15967 1 6 Larry Vickery . E. . 15967 1 7 John Markley . L. . 15967 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HscB 15967 1 'iron-sulfur cluster' 15967 1 IscU 15967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15967 _Assembly.ID 1 _Assembly.Name 'IscU-HscB complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IscU(D39A) 1 $IscU(D39A) A . yes native yes no . . . 15967 1 2 HscB 2 $HscB B . no native no no . . . 15967 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 15541 . . 'solution NMR' . . 'NMR studies of HscB in the interaction with IscU' 15967 1 yes PDB 1fpo . . X-ray 1.8 . 'Crystal structure of E. coli HscB' 15967 1 yes PDB 1r9p . . 'solution NMR' . 'Zn-bound structure' 'Solution structure of Zn-bound IscU from Haemophilus influenzae' 15967 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'iron-sulfur cluster assembly and transfer' 15967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU(D39A) _Entity.Sf_category entity _Entity.Sf_framecode IscU(D39A) _Entity.Entry_ID 15967 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IscU(D39A) _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 ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGAV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16245 . IscU . . . . . 100.00 130 99.22 99.22 8.03e-86 . . . . 15967 1 2 no BMRB 16603 . IscU . . . . . 100.00 128 100.00 100.00 8.02e-87 . . . . 15967 1 3 no BMRB 17282 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 4 no BMRB 17836 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 5 no BMRB 17837 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 6 no BMRB 17844 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 7 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.22 99.22 3.11e-86 . . . . 15967 1 8 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 98.44 98.44 5.49e-85 . . . . 15967 1 9 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 98.44 98.44 1.03e-84 . . . . 15967 1 10 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 98.44 99.22 1.86e-85 . . . . 15967 1 11 no BMRB 18381 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 12 no BMRB 18750 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 13 no BMRB 18754 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 14 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 100.00 100.00 8.02e-87 . . . . 15967 1 15 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 16 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 99.22 129 99.21 99.21 9.27e-85 . . . . 15967 1 17 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 18 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 19 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 20 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 21 no DBJ BAI31803 . "scaffold protein IscU [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 22 no EMBL CAD02745 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 97.66 99.22 8.31e-85 . . . . 15967 1 23 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 98.44 98.44 4.22e-85 . . . . 15967 1 24 no EMBL CAQ32902 . "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 25 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 26 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 27 no GB AAC75582 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 28 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 29 no GB AAL21436 . "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 97.66 99.22 8.31e-85 . . . . 15967 1 30 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 31 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 32 no PIR AE0824 . "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 128 97.66 99.22 8.31e-85 . . . . 15967 1 33 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 34 no REF NP_417024 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 35 no REF NP_457073 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 97.66 99.22 8.31e-85 . . . . 15967 1 36 no REF NP_461477 . "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 97.66 99.22 8.31e-85 . . . . 15967 1 37 no REF NP_708368 . "scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 38 no SP P0ACD4 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 39 no SP P0ACD5 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 40 no SP P0ACD6 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 41 no SP P0ACD7 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 15967 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron-sulfur cluster assembly scaffold protein' 15967 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 . 15967 1 2 . ALA . 15967 1 3 . TYR . 15967 1 4 . SER . 15967 1 5 . GLU . 15967 1 6 . LYS . 15967 1 7 . VAL . 15967 1 8 . ILE . 15967 1 9 . ASP . 15967 1 10 . HIS . 15967 1 11 . TYR . 15967 1 12 . GLU . 15967 1 13 . ASN . 15967 1 14 . PRO . 15967 1 15 . ARG . 15967 1 16 . ASN . 15967 1 17 . VAL . 15967 1 18 . GLY . 15967 1 19 . SER . 15967 1 20 . PHE . 15967 1 21 . ASP . 15967 1 22 . ASN . 15967 1 23 . ASN . 15967 1 24 . ASP . 15967 1 25 . GLU . 15967 1 26 . ASN . 15967 1 27 . VAL . 15967 1 28 . GLY . 15967 1 29 . SER . 15967 1 30 . GLY . 15967 1 31 . MET . 15967 1 32 . VAL . 15967 1 33 . GLY . 15967 1 34 . ALA . 15967 1 35 . PRO . 15967 1 36 . ALA . 15967 1 37 . CYS . 15967 1 38 . GLY . 15967 1 39 . ALA . 15967 1 40 . VAL . 15967 1 41 . MET . 15967 1 42 . LYS . 15967 1 43 . LEU . 15967 1 44 . GLN . 15967 1 45 . ILE . 15967 1 46 . LYS . 15967 1 47 . VAL . 15967 1 48 . ASN . 15967 1 49 . ASP . 15967 1 50 . GLU . 15967 1 51 . GLY . 15967 1 52 . ILE . 15967 1 53 . ILE . 15967 1 54 . GLU . 15967 1 55 . ASP . 15967 1 56 . ALA . 15967 1 57 . ARG . 15967 1 58 . PHE . 15967 1 59 . LYS . 15967 1 60 . THR . 15967 1 61 . TYR . 15967 1 62 . GLY . 15967 1 63 . CYS . 15967 1 64 . GLY . 15967 1 65 . SER . 15967 1 66 . ALA . 15967 1 67 . ILE . 15967 1 68 . ALA . 15967 1 69 . SER . 15967 1 70 . SER . 15967 1 71 . SER . 15967 1 72 . LEU . 15967 1 73 . VAL . 15967 1 74 . THR . 15967 1 75 . GLU . 15967 1 76 . TRP . 15967 1 77 . VAL . 15967 1 78 . LYS . 15967 1 79 . GLY . 15967 1 80 . LYS . 15967 1 81 . SER . 15967 1 82 . LEU . 15967 1 83 . ASP . 15967 1 84 . GLU . 15967 1 85 . ALA . 15967 1 86 . GLN . 15967 1 87 . ALA . 15967 1 88 . ILE . 15967 1 89 . LYS . 15967 1 90 . ASN . 15967 1 91 . THR . 15967 1 92 . ASP . 15967 1 93 . ILE . 15967 1 94 . ALA . 15967 1 95 . GLU . 15967 1 96 . GLU . 15967 1 97 . LEU . 15967 1 98 . GLU . 15967 1 99 . LEU . 15967 1 100 . PRO . 15967 1 101 . PRO . 15967 1 102 . VAL . 15967 1 103 . LYS . 15967 1 104 . ILE . 15967 1 105 . HIS . 15967 1 106 . CYS . 15967 1 107 . SER . 15967 1 108 . ILE . 15967 1 109 . LEU . 15967 1 110 . ALA . 15967 1 111 . GLU . 15967 1 112 . ASP . 15967 1 113 . ALA . 15967 1 114 . ILE . 15967 1 115 . LYS . 15967 1 116 . ALA . 15967 1 117 . ALA . 15967 1 118 . ILE . 15967 1 119 . ALA . 15967 1 120 . ASP . 15967 1 121 . TYR . 15967 1 122 . LYS . 15967 1 123 . SER . 15967 1 124 . LYS . 15967 1 125 . ARG . 15967 1 126 . GLU . 15967 1 127 . ALA . 15967 1 128 . LYS . 15967 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 15967 1 . ALA 2 2 15967 1 . TYR 3 3 15967 1 . SER 4 4 15967 1 . GLU 5 5 15967 1 . LYS 6 6 15967 1 . VAL 7 7 15967 1 . ILE 8 8 15967 1 . ASP 9 9 15967 1 . HIS 10 10 15967 1 . TYR 11 11 15967 1 . GLU 12 12 15967 1 . ASN 13 13 15967 1 . PRO 14 14 15967 1 . ARG 15 15 15967 1 . ASN 16 16 15967 1 . VAL 17 17 15967 1 . GLY 18 18 15967 1 . SER 19 19 15967 1 . PHE 20 20 15967 1 . ASP 21 21 15967 1 . ASN 22 22 15967 1 . ASN 23 23 15967 1 . ASP 24 24 15967 1 . GLU 25 25 15967 1 . ASN 26 26 15967 1 . VAL 27 27 15967 1 . GLY 28 28 15967 1 . SER 29 29 15967 1 . GLY 30 30 15967 1 . MET 31 31 15967 1 . VAL 32 32 15967 1 . GLY 33 33 15967 1 . ALA 34 34 15967 1 . PRO 35 35 15967 1 . ALA 36 36 15967 1 . CYS 37 37 15967 1 . GLY 38 38 15967 1 . ALA 39 39 15967 1 . VAL 40 40 15967 1 . MET 41 41 15967 1 . LYS 42 42 15967 1 . LEU 43 43 15967 1 . GLN 44 44 15967 1 . ILE 45 45 15967 1 . LYS 46 46 15967 1 . VAL 47 47 15967 1 . ASN 48 48 15967 1 . ASP 49 49 15967 1 . GLU 50 50 15967 1 . GLY 51 51 15967 1 . ILE 52 52 15967 1 . ILE 53 53 15967 1 . GLU 54 54 15967 1 . ASP 55 55 15967 1 . ALA 56 56 15967 1 . ARG 57 57 15967 1 . PHE 58 58 15967 1 . LYS 59 59 15967 1 . THR 60 60 15967 1 . TYR 61 61 15967 1 . GLY 62 62 15967 1 . CYS 63 63 15967 1 . GLY 64 64 15967 1 . SER 65 65 15967 1 . ALA 66 66 15967 1 . ILE 67 67 15967 1 . ALA 68 68 15967 1 . SER 69 69 15967 1 . SER 70 70 15967 1 . SER 71 71 15967 1 . LEU 72 72 15967 1 . VAL 73 73 15967 1 . THR 74 74 15967 1 . GLU 75 75 15967 1 . TRP 76 76 15967 1 . VAL 77 77 15967 1 . LYS 78 78 15967 1 . GLY 79 79 15967 1 . LYS 80 80 15967 1 . SER 81 81 15967 1 . LEU 82 82 15967 1 . ASP 83 83 15967 1 . GLU 84 84 15967 1 . ALA 85 85 15967 1 . GLN 86 86 15967 1 . ALA 87 87 15967 1 . ILE 88 88 15967 1 . LYS 89 89 15967 1 . ASN 90 90 15967 1 . THR 91 91 15967 1 . ASP 92 92 15967 1 . ILE 93 93 15967 1 . ALA 94 94 15967 1 . GLU 95 95 15967 1 . GLU 96 96 15967 1 . LEU 97 97 15967 1 . GLU 98 98 15967 1 . LEU 99 99 15967 1 . PRO 100 100 15967 1 . PRO 101 101 15967 1 . VAL 102 102 15967 1 . LYS 103 103 15967 1 . ILE 104 104 15967 1 . HIS 105 105 15967 1 . CYS 106 106 15967 1 . SER 107 107 15967 1 . ILE 108 108 15967 1 . LEU 109 109 15967 1 . ALA 110 110 15967 1 . GLU 111 111 15967 1 . ASP 112 112 15967 1 . ALA 113 113 15967 1 . ILE 114 114 15967 1 . LYS 115 115 15967 1 . ALA 116 116 15967 1 . ALA 117 117 15967 1 . ILE 118 118 15967 1 . ALA 119 119 15967 1 . ASP 120 120 15967 1 . TYR 121 121 15967 1 . LYS 122 122 15967 1 . SER 123 123 15967 1 . LYS 124 124 15967 1 . ARG 125 125 15967 1 . GLU 126 126 15967 1 . ALA 127 127 15967 1 . LYS 128 128 15967 1 stop_ save_ save_HscB _Entity.Sf_category entity _Entity.Sf_framecode HscB _Entity.Entry_ID 15967 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HscB _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 ; MDYFTLFGLPARYQLDTQAL SLRFQDLQRQYHPDKFASGS QAEQLAAVQQSATINQAWQT LRHPLMRAEYLLSLHGFDLA SEQHTVRDTAFLMEQLELRE ELDEIEQAKDEARLESFIKR VKKMFDTRHQLMVEQLDNET WDAAADTVRKLRFLDKLRSS AEQLEEKLLDF ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15541 . HscB . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 2 no PDB 1FPO . "Hsc20 (Hscb), A J-Type Co-Chaperone From E. Coli" . . . . . 100.00 171 99.42 99.42 4.18e-117 . . . . 15967 2 3 no DBJ BAA16421 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 4 no DBJ BAB36816 . "molecular chaperone [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 5 no DBJ BAG78337 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 171 99.42 99.42 5.09e-117 . . . . 15967 2 6 no DBJ BAI26772 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 171 99.42 99.42 5.09e-117 . . . . 15967 2 7 no DBJ BAI31801 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 171 99.42 99.42 5.09e-117 . . . . 15967 2 8 no EMBL CAP76979 . "Co-chaperone protein hscB [Escherichia coli LF82]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 9 no EMBL CAQ32900 . "Hsc20 co-chaperone that acts with Hsc66 in IscU iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 10 no EMBL CAQ88189 . "DnaJ-like molecular chaperone specific for IscU [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 11 no EMBL CAQ99418 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli IAI1]" . . . . . 100.00 171 99.42 99.42 5.09e-117 . . . . 15967 2 12 no EMBL CAR03969 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli S88]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 13 no GB AAA18299 . "ORF-1 [Escherichia coli]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 14 no GB AAC75580 . "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 15 no GB AAG57641 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 98.83 98.83 3.80e-116 . . . . 15967 2 16 no GB AAN44073 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 98.83 98.83 8.17e-116 . . . . 15967 2 17 no GB AAN81502 . "Chaperone protein hscB [Escherichia coli CFT073]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 18 no PIR E85897 . "hypothetical protein yfhE [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 171 98.83 98.83 3.80e-116 . . . . 15967 2 19 no REF NP_289084 . "co-chaperone HscB [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 98.83 98.83 3.80e-116 . . . . 15967 2 20 no REF NP_311420 . "co-chaperone HscB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 21 no REF NP_417022 . "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 22 no REF NP_708366 . "co-chaperone HscB [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 98.83 98.83 8.17e-116 . . . . 15967 2 23 no REF NP_754934 . "co-chaperone HscB [Escherichia coli CFT073]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 24 no SP A1AE64 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli APEC O1]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 25 no SP A7ZPX0 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli E24377A]" . . . . . 100.00 171 99.42 99.42 5.09e-117 . . . . 15967 2 26 no SP A8A333 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli HS]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 27 no SP B1IWD4 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli ATCC 8739]" . . . . . 100.00 171 100.00 100.00 7.35e-118 . . . . 15967 2 28 no SP B1LNI2 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli SMS-3-5]" . . . . . 100.00 171 99.42 99.42 2.45e-117 . . . . 15967 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Co-chaperone protein' 15967 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 . MET . 15967 2 2 . ASP . 15967 2 3 . TYR . 15967 2 4 . PHE . 15967 2 5 . THR . 15967 2 6 . LEU . 15967 2 7 . PHE . 15967 2 8 . GLY . 15967 2 9 . LEU . 15967 2 10 . PRO . 15967 2 11 . ALA . 15967 2 12 . ARG . 15967 2 13 . TYR . 15967 2 14 . GLN . 15967 2 15 . LEU . 15967 2 16 . ASP . 15967 2 17 . THR . 15967 2 18 . GLN . 15967 2 19 . ALA . 15967 2 20 . LEU . 15967 2 21 . SER . 15967 2 22 . LEU . 15967 2 23 . ARG . 15967 2 24 . PHE . 15967 2 25 . GLN . 15967 2 26 . ASP . 15967 2 27 . LEU . 15967 2 28 . GLN . 15967 2 29 . ARG . 15967 2 30 . GLN . 15967 2 31 . TYR . 15967 2 32 . HIS . 15967 2 33 . PRO . 15967 2 34 . ASP . 15967 2 35 . LYS . 15967 2 36 . PHE . 15967 2 37 . ALA . 15967 2 38 . SER . 15967 2 39 . GLY . 15967 2 40 . SER . 15967 2 41 . GLN . 15967 2 42 . ALA . 15967 2 43 . GLU . 15967 2 44 . GLN . 15967 2 45 . LEU . 15967 2 46 . ALA . 15967 2 47 . ALA . 15967 2 48 . VAL . 15967 2 49 . GLN . 15967 2 50 . GLN . 15967 2 51 . SER . 15967 2 52 . ALA . 15967 2 53 . THR . 15967 2 54 . ILE . 15967 2 55 . ASN . 15967 2 56 . GLN . 15967 2 57 . ALA . 15967 2 58 . TRP . 15967 2 59 . GLN . 15967 2 60 . THR . 15967 2 61 . LEU . 15967 2 62 . ARG . 15967 2 63 . HIS . 15967 2 64 . PRO . 15967 2 65 . LEU . 15967 2 66 . MET . 15967 2 67 . ARG . 15967 2 68 . ALA . 15967 2 69 . GLU . 15967 2 70 . TYR . 15967 2 71 . LEU . 15967 2 72 . LEU . 15967 2 73 . SER . 15967 2 74 . LEU . 15967 2 75 . HIS . 15967 2 76 . GLY . 15967 2 77 . PHE . 15967 2 78 . ASP . 15967 2 79 . LEU . 15967 2 80 . ALA . 15967 2 81 . SER . 15967 2 82 . GLU . 15967 2 83 . GLN . 15967 2 84 . HIS . 15967 2 85 . THR . 15967 2 86 . VAL . 15967 2 87 . ARG . 15967 2 88 . ASP . 15967 2 89 . THR . 15967 2 90 . ALA . 15967 2 91 . PHE . 15967 2 92 . LEU . 15967 2 93 . MET . 15967 2 94 . GLU . 15967 2 95 . GLN . 15967 2 96 . LEU . 15967 2 97 . GLU . 15967 2 98 . LEU . 15967 2 99 . ARG . 15967 2 100 . GLU . 15967 2 101 . GLU . 15967 2 102 . LEU . 15967 2 103 . ASP . 15967 2 104 . GLU . 15967 2 105 . ILE . 15967 2 106 . GLU . 15967 2 107 . GLN . 15967 2 108 . ALA . 15967 2 109 . LYS . 15967 2 110 . ASP . 15967 2 111 . GLU . 15967 2 112 . ALA . 15967 2 113 . ARG . 15967 2 114 . LEU . 15967 2 115 . GLU . 15967 2 116 . SER . 15967 2 117 . PHE . 15967 2 118 . ILE . 15967 2 119 . LYS . 15967 2 120 . ARG . 15967 2 121 . VAL . 15967 2 122 . LYS . 15967 2 123 . LYS . 15967 2 124 . MET . 15967 2 125 . PHE . 15967 2 126 . ASP . 15967 2 127 . THR . 15967 2 128 . ARG . 15967 2 129 . HIS . 15967 2 130 . GLN . 15967 2 131 . LEU . 15967 2 132 . MET . 15967 2 133 . VAL . 15967 2 134 . GLU . 15967 2 135 . GLN . 15967 2 136 . LEU . 15967 2 137 . ASP . 15967 2 138 . ASN . 15967 2 139 . GLU . 15967 2 140 . THR . 15967 2 141 . TRP . 15967 2 142 . ASP . 15967 2 143 . ALA . 15967 2 144 . ALA . 15967 2 145 . ALA . 15967 2 146 . ASP . 15967 2 147 . THR . 15967 2 148 . VAL . 15967 2 149 . ARG . 15967 2 150 . LYS . 15967 2 151 . LEU . 15967 2 152 . ARG . 15967 2 153 . PHE . 15967 2 154 . LEU . 15967 2 155 . ASP . 15967 2 156 . LYS . 15967 2 157 . LEU . 15967 2 158 . ARG . 15967 2 159 . SER . 15967 2 160 . SER . 15967 2 161 . ALA . 15967 2 162 . GLU . 15967 2 163 . GLN . 15967 2 164 . LEU . 15967 2 165 . GLU . 15967 2 166 . GLU . 15967 2 167 . LYS . 15967 2 168 . LEU . 15967 2 169 . LEU . 15967 2 170 . ASP . 15967 2 171 . PHE . 15967 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 . MET 1 1 15967 2 . ASP 2 2 15967 2 . TYR 3 3 15967 2 . PHE 4 4 15967 2 . THR 5 5 15967 2 . LEU 6 6 15967 2 . PHE 7 7 15967 2 . GLY 8 8 15967 2 . LEU 9 9 15967 2 . PRO 10 10 15967 2 . ALA 11 11 15967 2 . ARG 12 12 15967 2 . TYR 13 13 15967 2 . GLN 14 14 15967 2 . LEU 15 15 15967 2 . ASP 16 16 15967 2 . THR 17 17 15967 2 . GLN 18 18 15967 2 . ALA 19 19 15967 2 . LEU 20 20 15967 2 . SER 21 21 15967 2 . LEU 22 22 15967 2 . ARG 23 23 15967 2 . PHE 24 24 15967 2 . GLN 25 25 15967 2 . ASP 26 26 15967 2 . LEU 27 27 15967 2 . GLN 28 28 15967 2 . ARG 29 29 15967 2 . GLN 30 30 15967 2 . TYR 31 31 15967 2 . HIS 32 32 15967 2 . PRO 33 33 15967 2 . ASP 34 34 15967 2 . LYS 35 35 15967 2 . PHE 36 36 15967 2 . ALA 37 37 15967 2 . SER 38 38 15967 2 . GLY 39 39 15967 2 . SER 40 40 15967 2 . GLN 41 41 15967 2 . ALA 42 42 15967 2 . GLU 43 43 15967 2 . GLN 44 44 15967 2 . LEU 45 45 15967 2 . ALA 46 46 15967 2 . ALA 47 47 15967 2 . VAL 48 48 15967 2 . GLN 49 49 15967 2 . GLN 50 50 15967 2 . SER 51 51 15967 2 . ALA 52 52 15967 2 . THR 53 53 15967 2 . ILE 54 54 15967 2 . ASN 55 55 15967 2 . GLN 56 56 15967 2 . ALA 57 57 15967 2 . TRP 58 58 15967 2 . GLN 59 59 15967 2 . THR 60 60 15967 2 . LEU 61 61 15967 2 . ARG 62 62 15967 2 . HIS 63 63 15967 2 . PRO 64 64 15967 2 . LEU 65 65 15967 2 . MET 66 66 15967 2 . ARG 67 67 15967 2 . ALA 68 68 15967 2 . GLU 69 69 15967 2 . TYR 70 70 15967 2 . LEU 71 71 15967 2 . LEU 72 72 15967 2 . SER 73 73 15967 2 . LEU 74 74 15967 2 . HIS 75 75 15967 2 . GLY 76 76 15967 2 . PHE 77 77 15967 2 . ASP 78 78 15967 2 . LEU 79 79 15967 2 . ALA 80 80 15967 2 . SER 81 81 15967 2 . GLU 82 82 15967 2 . GLN 83 83 15967 2 . HIS 84 84 15967 2 . THR 85 85 15967 2 . VAL 86 86 15967 2 . ARG 87 87 15967 2 . ASP 88 88 15967 2 . THR 89 89 15967 2 . ALA 90 90 15967 2 . PHE 91 91 15967 2 . LEU 92 92 15967 2 . MET 93 93 15967 2 . GLU 94 94 15967 2 . GLN 95 95 15967 2 . LEU 96 96 15967 2 . GLU 97 97 15967 2 . LEU 98 98 15967 2 . ARG 99 99 15967 2 . GLU 100 100 15967 2 . GLU 101 101 15967 2 . LEU 102 102 15967 2 . ASP 103 103 15967 2 . GLU 104 104 15967 2 . ILE 105 105 15967 2 . GLU 106 106 15967 2 . GLN 107 107 15967 2 . ALA 108 108 15967 2 . LYS 109 109 15967 2 . ASP 110 110 15967 2 . GLU 111 111 15967 2 . ALA 112 112 15967 2 . ARG 113 113 15967 2 . LEU 114 114 15967 2 . GLU 115 115 15967 2 . SER 116 116 15967 2 . PHE 117 117 15967 2 . ILE 118 118 15967 2 . LYS 119 119 15967 2 . ARG 120 120 15967 2 . VAL 121 121 15967 2 . LYS 122 122 15967 2 . LYS 123 123 15967 2 . MET 124 124 15967 2 . PHE 125 125 15967 2 . ASP 126 126 15967 2 . THR 127 127 15967 2 . ARG 128 128 15967 2 . HIS 129 129 15967 2 . GLN 130 130 15967 2 . LEU 131 131 15967 2 . MET 132 132 15967 2 . VAL 133 133 15967 2 . GLU 134 134 15967 2 . GLN 135 135 15967 2 . LEU 136 136 15967 2 . ASP 137 137 15967 2 . ASN 138 138 15967 2 . GLU 139 139 15967 2 . THR 140 140 15967 2 . TRP 141 141 15967 2 . ASP 142 142 15967 2 . ALA 143 143 15967 2 . ALA 144 144 15967 2 . ALA 145 145 15967 2 . ASP 146 146 15967 2 . THR 147 147 15967 2 . VAL 148 148 15967 2 . ARG 149 149 15967 2 . LYS 150 150 15967 2 . LEU 151 151 15967 2 . ARG 152 152 15967 2 . PHE 153 153 15967 2 . LEU 154 154 15967 2 . ASP 155 155 15967 2 . LYS 156 156 15967 2 . LEU 157 157 15967 2 . ARG 158 158 15967 2 . SER 159 159 15967 2 . SER 160 160 15967 2 . ALA 161 161 15967 2 . GLU 162 162 15967 2 . GLN 163 163 15967 2 . LEU 164 164 15967 2 . GLU 165 165 15967 2 . GLU 166 166 15967 2 . LYS 167 167 15967 2 . LEU 168 168 15967 2 . LEU 169 169 15967 2 . ASP 170 170 15967 2 . PHE 171 171 15967 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15967 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IscU(D39A) . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . 'Substitution of D39A was introduced artificially.' . . 15967 1 2 2 $HscB . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15967 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15967 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IscU(D39A) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTrc99a . . . . . . 15967 1 2 2 $HscB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTrc99a . . . . . . 15967 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15967 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The IscU(D39A) sample mixed with 2 equivalents of HscB' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 IscU(D39A) [U-15N] . . 1 $IscU(D39A) . . 0.7 . . mM . . . . 15967 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15967 1 3 DTT 'natural abundance' . . . . . . 5-10 . . mM . . . . 15967 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15967 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15967 1 6 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 15967 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15967 1 8 HscB 'natural abundance' . . 2 $HscB . . 1.4 . . mM . . . . 15967 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 15967 _Sample_condition_list.ID 1 _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' 0.15 . M 15967 1 pH 8 . pH 15967 1 pressure 1 . atm 15967 1 temperature 298 . K 15967 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15967 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15967 1 processing 15967 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15967 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15967 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15967 2 'data analysis' 15967 2 'peak picking' 15967 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15967 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15967 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15967 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a z-gradient ColdProbe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15967 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity-Inova . 600 'Equipped with a z-gradient ColdProbe' . . 15967 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15967 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15967 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15967 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15967 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15967 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15967 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_chemshift_D39AIscUwHscB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemshift_D39AIscUwHscB _Assigned_chem_shift_list.Entry_ID 15967 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 'Resonance assignment of IscU(D39A) complexed with HscB' _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 1 '2D 1H-15N TROSY HSQC' . . . 15967 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 $NMRPipe . . 15967 1 2 $SPARKY . . 15967 1 3 $VNMRJ . . 15967 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 6 6 LYS H H 1 8.205 0.02 . 1 . . . . 6 LYS H . 15967 1 2 . 1 1 6 6 LYS N N 15 122.71 0.2 . 1 . . . . 6 LYS N . 15967 1 3 . 1 1 7 7 VAL H H 1 8.142 0.02 . 1 . . . . 7 VAL H . 15967 1 4 . 1 1 7 7 VAL N N 15 123.552 0.2 . 1 . . . . 7 VAL N . 15967 1 5 . 1 1 8 8 ILE H H 1 8.164 0.02 . 1 . . . . 8 ILE H . 15967 1 6 . 1 1 8 8 ILE N N 15 125.631 0.2 . 1 . . . . 8 ILE N . 15967 1 7 . 1 1 9 9 ASP H H 1 8.226 0.02 . 1 . . . . 9 ASP H . 15967 1 8 . 1 1 9 9 ASP N N 15 125.046 0.2 . 1 . . . . 9 ASP N . 15967 1 9 . 1 1 15 15 ARG H H 1 9.268 0.02 . 1 . . . . 15 ARG H . 15967 1 10 . 1 1 15 15 ARG N N 15 123.996 0.2 . 1 . . . . 15 ARG N . 15967 1 11 . 1 1 16 16 ASN H H 1 8.201 0.02 . 1 . . . . 16 ASN H . 15967 1 12 . 1 1 16 16 ASN N N 15 109.952 0.2 . 1 . . . . 16 ASN N . 15967 1 13 . 1 1 17 17 VAL H H 1 7.55 0.02 . 1 . . . . 17 VAL H . 15967 1 14 . 1 1 17 17 VAL N N 15 118.752 0.2 . 1 . . . . 17 VAL N . 15967 1 15 . 1 1 18 18 GLY H H 1 8.575 0.02 . 1 . . . . 18 GLY H . 15967 1 16 . 1 1 18 18 GLY N N 15 115.972 0.2 . 1 . . . . 18 GLY N . 15967 1 17 . 1 1 19 19 SER H H 1 7.949 0.02 . 1 . . . . 19 SER H . 15967 1 18 . 1 1 19 19 SER N N 15 112.611 0.2 . 1 . . . . 19 SER N . 15967 1 19 . 1 1 20 20 PHE H H 1 8.829 0.02 . 1 . . . . 20 PHE H . 15967 1 20 . 1 1 20 20 PHE N N 15 121.528 0.2 . 1 . . . . 20 PHE N . 15967 1 21 . 1 1 21 21 ASP H H 1 8.171 0.02 . 1 . . . . 21 ASP H . 15967 1 22 . 1 1 21 21 ASP N N 15 120.993 0.2 . 1 . . . . 21 ASP N . 15967 1 23 . 1 1 22 22 ASN H H 1 8.192 0.02 . 1 . . . . 22 ASN H . 15967 1 24 . 1 1 22 22 ASN N N 15 122.064 0.2 . 1 . . . . 22 ASN N . 15967 1 25 . 1 1 24 24 ASP H H 1 7.439 0.02 . 1 . . . . 24 ASP H . 15967 1 26 . 1 1 24 24 ASP N N 15 123.108 0.2 . 1 . . . . 24 ASP N . 15967 1 27 . 1 1 26 26 ASN H H 1 8.737 0.02 . 1 . . . . 26 ASN H . 15967 1 28 . 1 1 26 26 ASN N N 15 116.526 0.2 . 1 . . . . 26 ASN N . 15967 1 29 . 1 1 27 27 VAL H H 1 7.324 0.02 . 1 . . . . 27 VAL H . 15967 1 30 . 1 1 27 27 VAL N N 15 119.633 0.2 . 1 . . . . 27 VAL N . 15967 1 31 . 1 1 28 28 GLY H H 1 8.766 0.02 . 1 . . . . 28 GLY H . 15967 1 32 . 1 1 28 28 GLY N N 15 112.962 0.2 . 1 . . . . 28 GLY N . 15967 1 33 . 1 1 29 29 SER H H 1 10.434 0.02 . 1 . . . . 29 SER H . 15967 1 34 . 1 1 29 29 SER N N 15 121.682 0.2 . 1 . . . . 29 SER N . 15967 1 35 . 1 1 38 38 GLY H H 1 7.834 0.02 . 1 . . . . 38 GLY H . 15967 1 36 . 1 1 38 38 GLY N N 15 109.545 0.2 . 1 . . . . 38 GLY N . 15967 1 37 . 1 1 39 39 ALA H H 1 7.444 0.02 . 1 . . . . 39 ALA H . 15967 1 38 . 1 1 39 39 ALA N N 15 121.211 0.2 . 1 . . . . 39 ALA N . 15967 1 39 . 1 1 41 41 MET H H 1 8.991 0.02 . 1 . . . . 41 MET H . 15967 1 40 . 1 1 41 41 MET N N 15 127.068 0.2 . 1 . . . . 41 MET N . 15967 1 41 . 1 1 45 45 ILE H H 1 9.126 0.02 . 1 . . . . 45 ILE H . 15967 1 42 . 1 1 45 45 ILE N N 15 113.298 0.2 . 1 . . . . 45 ILE N . 15967 1 43 . 1 1 46 46 LYS H H 1 8.233 0.02 . 1 . . . . 46 LYS H . 15967 1 44 . 1 1 46 46 LYS N N 15 124.334 0.2 . 1 . . . . 46 LYS N . 15967 1 45 . 1 1 47 47 VAL H H 1 8.497 0.02 . 1 . . . . 47 VAL H . 15967 1 46 . 1 1 47 47 VAL N N 15 129.115 0.2 . 1 . . . . 47 VAL N . 15967 1 47 . 1 1 48 48 ASN H H 1 8.874 0.02 . 1 . . . . 48 ASN H . 15967 1 48 . 1 1 48 48 ASN N N 15 126.985 0.2 . 1 . . . . 48 ASN N . 15967 1 49 . 1 1 49 49 ASP H H 1 8.367 0.02 . 1 . . . . 49 ASP H . 15967 1 50 . 1 1 49 49 ASP N N 15 117.552 0.2 . 1 . . . . 49 ASP N . 15967 1 51 . 1 1 51 51 GLY H H 1 8.006 0.02 . 1 . . . . 51 GLY H . 15967 1 52 . 1 1 51 51 GLY N N 15 108.362 0.2 . 1 . . . . 51 GLY N . 15967 1 53 . 1 1 52 52 ILE H H 1 7.483 0.02 . 1 . . . . 52 ILE H . 15967 1 54 . 1 1 52 52 ILE N N 15 120.541 0.2 . 1 . . . . 52 ILE N . 15967 1 55 . 1 1 53 53 ILE H H 1 8.675 0.02 . 1 . . . . 53 ILE H . 15967 1 56 . 1 1 53 53 ILE N N 15 127.744 0.2 . 1 . . . . 53 ILE N . 15967 1 57 . 1 1 54 54 GLU H H 1 8.869 0.02 . 1 . . . . 54 GLU H . 15967 1 58 . 1 1 54 54 GLU N N 15 130.878 0.2 . 1 . . . . 54 GLU N . 15967 1 59 . 1 1 55 55 ASP H H 1 7.991 0.02 . 1 . . . . 55 ASP H . 15967 1 60 . 1 1 55 55 ASP N N 15 116.58 0.2 . 1 . . . . 55 ASP N . 15967 1 61 . 1 1 56 56 ALA H H 1 8.914 0.02 . 1 . . . . 56 ALA H . 15967 1 62 . 1 1 56 56 ALA N N 15 124.088 0.2 . 1 . . . . 56 ALA N . 15967 1 63 . 1 1 57 57 ARG H H 1 8.773 0.02 . 1 . . . . 57 ARG H . 15967 1 64 . 1 1 57 57 ARG N N 15 118.782 0.2 . 1 . . . . 57 ARG N . 15967 1 65 . 1 1 58 58 PHE H H 1 8.367 0.02 . 1 . . . . 58 PHE H . 15967 1 66 . 1 1 58 58 PHE N N 15 117.552 0.2 . 1 . . . . 58 PHE N . 15967 1 67 . 1 1 69 69 SER H H 1 7.446 0.02 . 1 . . . . 69 SER H . 15967 1 68 . 1 1 69 69 SER N N 15 112.72 0.2 . 1 . . . . 69 SER N . 15967 1 69 . 1 1 70 70 SER H H 1 7.006 0.02 . 1 . . . . 70 SER H . 15967 1 70 . 1 1 70 70 SER N N 15 115.356 0.2 . 1 . . . . 70 SER N . 15967 1 71 . 1 1 71 71 SER H H 1 7.492 0.02 . 1 . . . . 71 SER H . 15967 1 72 . 1 1 71 71 SER N N 15 117.872 0.2 . 1 . . . . 71 SER N . 15967 1 73 . 1 1 72 72 LEU H H 1 7.802 0.02 . 1 . . . . 72 LEU H . 15967 1 74 . 1 1 72 72 LEU N N 15 118.987 0.2 . 1 . . . . 72 LEU N . 15967 1 75 . 1 1 73 73 VAL H H 1 7.397 0.02 . 1 . . . . 73 VAL H . 15967 1 76 . 1 1 73 73 VAL N N 15 114.483 0.2 . 1 . . . . 73 VAL N . 15967 1 77 . 1 1 74 74 THR H H 1 7.661 0.02 . 1 . . . . 74 THR H . 15967 1 78 . 1 1 74 74 THR N N 15 110.116 0.2 . 1 . . . . 74 THR N . 15967 1 79 . 1 1 75 75 GLU H H 1 7.209 0.02 . 1 . . . . 75 GLU H . 15967 1 80 . 1 1 75 75 GLU N N 15 118.024 0.2 . 1 . . . . 75 GLU N . 15967 1 81 . 1 1 76 76 TRP H H 1 8.605 0.02 . 1 . . . . 76 TRP H . 15967 1 82 . 1 1 76 76 TRP N N 15 120.726 0.2 . 1 . . . . 76 TRP N . 15967 1 83 . 1 1 77 77 VAL H H 1 8.078 0.02 . 1 . . . . 77 VAL H . 15967 1 84 . 1 1 77 77 VAL N N 15 108.241 0.2 . 1 . . . . 77 VAL N . 15967 1 85 . 1 1 78 78 LYS H H 1 6.632 0.02 . 1 . . . . 78 LYS H . 15967 1 86 . 1 1 78 78 LYS N N 15 118.616 0.2 . 1 . . . . 78 LYS N . 15967 1 87 . 1 1 79 79 GLY H H 1 9.39 0.02 . 1 . . . . 79 GLY H . 15967 1 88 . 1 1 79 79 GLY N N 15 113.186 0.2 . 1 . . . . 79 GLY N . 15967 1 89 . 1 1 80 80 LYS H H 1 7.868 0.02 . 1 . . . . 80 LYS H . 15967 1 90 . 1 1 80 80 LYS N N 15 120.882 0.2 . 1 . . . . 80 LYS N . 15967 1 91 . 1 1 81 81 SER H H 1 8.958 0.02 . 1 . . . . 81 SER H . 15967 1 92 . 1 1 81 81 SER N N 15 116.803 0.2 . 1 . . . . 81 SER N . 15967 1 93 . 1 1 82 82 LEU H H 1 7.976 0.02 . 1 . . . . 82 LEU H . 15967 1 94 . 1 1 82 82 LEU N N 15 119.164 0.2 . 1 . . . . 82 LEU N . 15967 1 95 . 1 1 83 83 ASP H H 1 8.083 0.02 . 1 . . . . 83 ASP H . 15967 1 96 . 1 1 83 83 ASP N N 15 116.691 0.2 . 1 . . . . 83 ASP N . 15967 1 97 . 1 1 84 84 GLU H H 1 7.756 0.02 . 1 . . . . 84 GLU H . 15967 1 98 . 1 1 84 84 GLU N N 15 121.423 0.2 . 1 . . . . 84 GLU N . 15967 1 99 . 1 1 85 85 ALA H H 1 8.605 0.02 . 1 . . . . 85 ALA H . 15967 1 100 . 1 1 85 85 ALA N N 15 123.244 0.2 . 1 . . . . 85 ALA N . 15967 1 101 . 1 1 86 86 GLN H H 1 7.85 0.02 . 1 . . . . 86 GLN H . 15967 1 102 . 1 1 86 86 GLN N N 15 116.313 0.2 . 1 . . . . 86 GLN N . 15967 1 103 . 1 1 91 91 THR H H 1 7.109 0.02 . 1 . . . . 91 THR H . 15967 1 104 . 1 1 91 91 THR N N 15 110.369 0.2 . 1 . . . . 91 THR N . 15967 1 105 . 1 1 92 92 ASP H H 1 7.059 0.02 . 1 . . . . 92 ASP H . 15967 1 106 . 1 1 92 92 ASP N N 15 122.548 0.2 . 1 . . . . 92 ASP N . 15967 1 107 . 1 1 93 93 ILE H H 1 7.042 0.02 . 1 . . . . 93 ILE H . 15967 1 108 . 1 1 93 93 ILE N N 15 121.146 0.2 . 1 . . . . 93 ILE N . 15967 1 109 . 1 1 94 94 ALA H H 1 8.217 0.02 . 1 . . . . 94 ALA H . 15967 1 110 . 1 1 94 94 ALA N N 15 119.359 0.2 . 1 . . . . 94 ALA N . 15967 1 111 . 1 1 95 95 GLU H H 1 8.001 0.02 . 1 . . . . 95 GLU H . 15967 1 112 . 1 1 95 95 GLU N N 15 117.008 0.2 . 1 . . . . 95 GLU N . 15967 1 113 . 1 1 96 96 GLU H H 1 7.595 0.02 . 1 . . . . 96 GLU H . 15967 1 114 . 1 1 96 96 GLU N N 15 121.095 0.2 . 1 . . . . 96 GLU N . 15967 1 115 . 1 1 97 97 LEU H H 1 7.303 0.02 . 1 . . . . 97 LEU H . 15967 1 116 . 1 1 97 97 LEU N N 15 113.251 0.2 . 1 . . . . 97 LEU N . 15967 1 117 . 1 1 98 98 GLU H H 1 7.714 0.02 . 1 . . . . 98 GLU H . 15967 1 118 . 1 1 98 98 GLU N N 15 119.47 0.2 . 1 . . . . 98 GLU N . 15967 1 119 . 1 1 99 99 LEU H H 1 7.801 0.02 . 1 . . . . 99 LEU H . 15967 1 120 . 1 1 99 99 LEU N N 15 117.641 0.2 . 1 . . . . 99 LEU N . 15967 1 121 . 1 1 102 102 VAL H H 1 7.574 0.02 . 1 . . . . 102 VAL H . 15967 1 122 . 1 1 102 102 VAL N N 15 111.051 0.2 . 1 . . . . 102 VAL N . 15967 1 123 . 1 1 103 103 LYS H H 1 8.058 0.02 . 1 . . . . 103 LYS H . 15967 1 124 . 1 1 103 103 LYS N N 15 117.194 0.2 . 1 . . . . 103 LYS N . 15967 1 125 . 1 1 104 104 ILE H H 1 7.531 0.02 . 1 . . . . 104 ILE H . 15967 1 126 . 1 1 104 104 ILE N N 15 123.301 0.2 . 1 . . . . 104 ILE N . 15967 1 127 . 1 1 107 107 SER H H 1 7.366 0.02 . 1 . . . . 107 SER H . 15967 1 128 . 1 1 107 107 SER N N 15 113.88 0.2 . 1 . . . . 107 SER N . 15967 1 129 . 1 1 108 108 ILE H H 1 6.75 0.02 . 1 . . . . 108 ILE H . 15967 1 130 . 1 1 108 108 ILE N N 15 127.175 0.2 . 1 . . . . 108 ILE N . 15967 1 131 . 1 1 109 109 LEU H H 1 7.874 0.02 . 1 . . . . 109 LEU H . 15967 1 132 . 1 1 109 109 LEU N N 15 119.933 0.2 . 1 . . . . 109 LEU N . 15967 1 133 . 1 1 116 116 ALA H H 1 8.504 0.02 . 1 . . . . 116 ALA H . 15967 1 134 . 1 1 116 116 ALA N N 15 123.571 0.2 . 1 . . . . 116 ALA N . 15967 1 135 . 1 1 119 119 ALA H H 1 8.017 0.02 . 1 . . . . 119 ALA H . 15967 1 136 . 1 1 119 119 ALA N N 15 121.901 0.2 . 1 . . . . 119 ALA N . 15967 1 137 . 1 1 120 120 ASP H H 1 8.231 0.02 . 1 . . . . 120 ASP H . 15967 1 138 . 1 1 120 120 ASP N N 15 120.402 0.2 . 1 . . . . 120 ASP N . 15967 1 139 . 1 1 121 121 TYR H H 1 8.193 0.02 . 1 . . . . 121 TYR H . 15967 1 140 . 1 1 121 121 TYR N N 15 119.972 0.2 . 1 . . . . 121 TYR N . 15967 1 141 . 1 1 122 122 LYS H H 1 8.61 0.02 . 1 . . . . 122 LYS H . 15967 1 142 . 1 1 122 122 LYS N N 15 118.122 0.2 . 1 . . . . 122 LYS N . 15967 1 143 . 1 1 123 123 SER H H 1 8.172 0.02 . 1 . . . . 123 SER H . 15967 1 144 . 1 1 123 123 SER N N 15 115.613 0.2 . 1 . . . . 123 SER N . 15967 1 145 . 1 1 124 124 LYS H H 1 7.49 0.02 . 1 . . . . 124 LYS H . 15967 1 146 . 1 1 124 124 LYS N N 15 122.041 0.2 . 1 . . . . 124 LYS N . 15967 1 147 . 1 1 125 125 ARG H H 1 7.399 0.02 . 1 . . . . 125 ARG H . 15967 1 148 . 1 1 125 125 ARG N N 15 118.111 0.2 . 1 . . . . 125 ARG N . 15967 1 149 . 1 1 126 126 GLU H H 1 7.684 0.02 . 1 . . . . 126 GLU H . 15967 1 150 . 1 1 126 126 GLU N N 15 120.188 0.2 . 1 . . . . 126 GLU N . 15967 1 151 . 1 1 127 127 ALA H H 1 7.912 0.02 . 1 . . . . 127 ALA H . 15967 1 152 . 1 1 127 127 ALA N N 15 125.256 0.2 . 1 . . . . 127 ALA N . 15967 1 153 . 1 1 128 128 LYS H H 1 7.719 0.02 . 1 . . . . 128 LYS H . 15967 1 154 . 1 1 128 128 LYS N N 15 126.709 0.2 . 1 . . . . 128 LYS N . 15967 1 stop_ save_