data_17844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17844 _Entry.Title ; The assigned chemical shifts of disordered-IscU complexed with IscS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-09 _Entry.Accession_date 2011-08-09 _Entry.Last_release_date 2012-02-28 _Entry.Original_release_date 2012-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 . . . 17844 2 Marco Tonelli . . . 17844 3 John Markley . L. . 17844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 17844 '15N chemical shifts' 77 17844 '1H chemical shifts' 77 17844 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 . . 2012-02-28 2011-08-09 original author . 17844 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17836 IscU 17844 BMRB 17837 IscU 17844 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17844 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22203963 _Citation.Full_citation . _Citation.Title 'Disordered form of the scaffold protein IscU is the substrate for iron-sulfur cluster assembly on cysteine desulfurase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 109 _Citation.Journal_issue 2 _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 454 _Citation.Page_last 459 _Citation.Year 2012 _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 . . . 17844 1 2 Marco Tonelli . . . 17844 1 3 John Markley . L. . 17844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17844 _Assembly.ID 1 _Assembly.Name IscU:IscS _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 117400 _Assembly.Enzyme_commission_number . _Assembly.Details Heterotetramer _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 1 $IscU A . yes native no no . 'Acceptor of a sulfur' . 17844 1 2 IscS 2 $IscS B . no native no no . 'Cysteine desulfurase' . 17844 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 PDB 3LVL . . X-ray 3.0 'Crystal structure of IscU:IscS complex' . 17844 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Sulfur transfer from L-cysteine to IscU' 17844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 17844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IscU _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 DNNDENVGSGMVGAPACGDV 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 2015-11-25 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 15967 . IscU(D39A) . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17844 1 2 no BMRB 16245 . IscU . . . . . 100.00 130 100.00 100.00 5.35e-87 . . . . 17844 1 3 no BMRB 16603 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17844 1 4 no BMRB 17282 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 5 no BMRB 17836 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 6 no BMRB 17837 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 7 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.22 99.22 1.14e-85 . . . . 17844 1 8 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 99.22 99.22 4.08e-86 . . . . 17844 1 9 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 99.22 99.22 6.11e-86 . . . . 17844 1 10 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 99.22 100.00 1.92e-86 . . . . 17844 1 11 no BMRB 18381 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 12 no BMRB 18750 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 13 no BMRB 18754 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 14 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17844 1 15 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 16 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 99.22 129 100.00 100.00 6.18e-86 . . . . 17844 1 17 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 18 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 19 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 20 no DBJ BAH64655 . "hypothetical protein KP1_4113 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 128 97.66 100.00 6.26e-85 . . . . 17844 1 21 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 22 no EMBL CAD02745 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17844 1 23 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 99.22 99.22 3.35e-86 . . . . 17844 1 24 no EMBL CAQ32902 . "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 25 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 26 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 27 no GB AAC75582 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 28 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 29 no GB AAL21436 . "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17844 1 30 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 31 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 32 no PIR AE0824 . "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17844 1 33 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 34 no REF NP_417024 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 35 no REF NP_457073 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17844 1 36 no REF NP_461477 . "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17844 1 37 no REF NP_708368 . "scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 38 no SP P0ACD4 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 39 no SP P0ACD5 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 40 no SP P0ACD6 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 41 no SP P0ACD7 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17844 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron-sulfur cluster scaffolding protein' 17844 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 1 MET . 17844 1 2 2 ALA . 17844 1 3 3 TYR . 17844 1 4 4 SER . 17844 1 5 5 GLU . 17844 1 6 6 LYS . 17844 1 7 7 VAL . 17844 1 8 8 ILE . 17844 1 9 9 ASP . 17844 1 10 10 HIS . 17844 1 11 11 TYR . 17844 1 12 12 GLU . 17844 1 13 13 ASN . 17844 1 14 14 PRO . 17844 1 15 15 ARG . 17844 1 16 16 ASN . 17844 1 17 17 VAL . 17844 1 18 18 GLY . 17844 1 19 19 SER . 17844 1 20 20 PHE . 17844 1 21 21 ASP . 17844 1 22 22 ASN . 17844 1 23 23 ASN . 17844 1 24 24 ASP . 17844 1 25 25 GLU . 17844 1 26 26 ASN . 17844 1 27 27 VAL . 17844 1 28 28 GLY . 17844 1 29 29 SER . 17844 1 30 30 GLY . 17844 1 31 31 MET . 17844 1 32 32 VAL . 17844 1 33 33 GLY . 17844 1 34 34 ALA . 17844 1 35 35 PRO . 17844 1 36 36 ALA . 17844 1 37 37 CYS . 17844 1 38 38 GLY . 17844 1 39 39 ASP . 17844 1 40 40 VAL . 17844 1 41 41 MET . 17844 1 42 42 LYS . 17844 1 43 43 LEU . 17844 1 44 44 GLN . 17844 1 45 45 ILE . 17844 1 46 46 LYS . 17844 1 47 47 VAL . 17844 1 48 48 ASN . 17844 1 49 49 ASP . 17844 1 50 50 GLU . 17844 1 51 51 GLY . 17844 1 52 52 ILE . 17844 1 53 53 ILE . 17844 1 54 54 GLU . 17844 1 55 55 ASP . 17844 1 56 56 ALA . 17844 1 57 57 ARG . 17844 1 58 58 PHE . 17844 1 59 59 LYS . 17844 1 60 60 THR . 17844 1 61 61 TYR . 17844 1 62 62 GLY . 17844 1 63 63 CYS . 17844 1 64 64 GLY . 17844 1 65 65 SER . 17844 1 66 66 ALA . 17844 1 67 67 ILE . 17844 1 68 68 ALA . 17844 1 69 69 SER . 17844 1 70 70 SER . 17844 1 71 71 SER . 17844 1 72 72 LEU . 17844 1 73 73 VAL . 17844 1 74 74 THR . 17844 1 75 75 GLU . 17844 1 76 76 TRP . 17844 1 77 77 VAL . 17844 1 78 78 LYS . 17844 1 79 79 GLY . 17844 1 80 80 LYS . 17844 1 81 81 SER . 17844 1 82 82 LEU . 17844 1 83 83 ASP . 17844 1 84 84 GLU . 17844 1 85 85 ALA . 17844 1 86 86 GLN . 17844 1 87 87 ALA . 17844 1 88 88 ILE . 17844 1 89 89 LYS . 17844 1 90 90 ASN . 17844 1 91 91 THR . 17844 1 92 92 ASP . 17844 1 93 93 ILE . 17844 1 94 94 ALA . 17844 1 95 95 GLU . 17844 1 96 96 GLU . 17844 1 97 97 LEU . 17844 1 98 98 GLU . 17844 1 99 99 LEU . 17844 1 100 100 PRO . 17844 1 101 101 PRO . 17844 1 102 102 VAL . 17844 1 103 103 LYS . 17844 1 104 104 ILE . 17844 1 105 105 HIS . 17844 1 106 106 CYS . 17844 1 107 107 SER . 17844 1 108 108 ILE . 17844 1 109 109 LEU . 17844 1 110 110 ALA . 17844 1 111 111 GLU . 17844 1 112 112 ASP . 17844 1 113 113 ALA . 17844 1 114 114 ILE . 17844 1 115 115 LYS . 17844 1 116 116 ALA . 17844 1 117 117 ALA . 17844 1 118 118 ILE . 17844 1 119 119 ALA . 17844 1 120 120 ASP . 17844 1 121 121 TYR . 17844 1 122 122 LYS . 17844 1 123 123 SER . 17844 1 124 124 LYS . 17844 1 125 125 ARG . 17844 1 126 126 GLU . 17844 1 127 127 ALA . 17844 1 128 128 LYS . 17844 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 17844 1 . ALA 2 2 17844 1 . TYR 3 3 17844 1 . SER 4 4 17844 1 . GLU 5 5 17844 1 . LYS 6 6 17844 1 . VAL 7 7 17844 1 . ILE 8 8 17844 1 . ASP 9 9 17844 1 . HIS 10 10 17844 1 . TYR 11 11 17844 1 . GLU 12 12 17844 1 . ASN 13 13 17844 1 . PRO 14 14 17844 1 . ARG 15 15 17844 1 . ASN 16 16 17844 1 . VAL 17 17 17844 1 . GLY 18 18 17844 1 . SER 19 19 17844 1 . PHE 20 20 17844 1 . ASP 21 21 17844 1 . ASN 22 22 17844 1 . ASN 23 23 17844 1 . ASP 24 24 17844 1 . GLU 25 25 17844 1 . ASN 26 26 17844 1 . VAL 27 27 17844 1 . GLY 28 28 17844 1 . SER 29 29 17844 1 . GLY 30 30 17844 1 . MET 31 31 17844 1 . VAL 32 32 17844 1 . GLY 33 33 17844 1 . ALA 34 34 17844 1 . PRO 35 35 17844 1 . ALA 36 36 17844 1 . CYS 37 37 17844 1 . GLY 38 38 17844 1 . ASP 39 39 17844 1 . VAL 40 40 17844 1 . MET 41 41 17844 1 . LYS 42 42 17844 1 . LEU 43 43 17844 1 . GLN 44 44 17844 1 . ILE 45 45 17844 1 . LYS 46 46 17844 1 . VAL 47 47 17844 1 . ASN 48 48 17844 1 . ASP 49 49 17844 1 . GLU 50 50 17844 1 . GLY 51 51 17844 1 . ILE 52 52 17844 1 . ILE 53 53 17844 1 . GLU 54 54 17844 1 . ASP 55 55 17844 1 . ALA 56 56 17844 1 . ARG 57 57 17844 1 . PHE 58 58 17844 1 . LYS 59 59 17844 1 . THR 60 60 17844 1 . TYR 61 61 17844 1 . GLY 62 62 17844 1 . CYS 63 63 17844 1 . GLY 64 64 17844 1 . SER 65 65 17844 1 . ALA 66 66 17844 1 . ILE 67 67 17844 1 . ALA 68 68 17844 1 . SER 69 69 17844 1 . SER 70 70 17844 1 . SER 71 71 17844 1 . LEU 72 72 17844 1 . VAL 73 73 17844 1 . THR 74 74 17844 1 . GLU 75 75 17844 1 . TRP 76 76 17844 1 . VAL 77 77 17844 1 . LYS 78 78 17844 1 . GLY 79 79 17844 1 . LYS 80 80 17844 1 . SER 81 81 17844 1 . LEU 82 82 17844 1 . ASP 83 83 17844 1 . GLU 84 84 17844 1 . ALA 85 85 17844 1 . GLN 86 86 17844 1 . ALA 87 87 17844 1 . ILE 88 88 17844 1 . LYS 89 89 17844 1 . ASN 90 90 17844 1 . THR 91 91 17844 1 . ASP 92 92 17844 1 . ILE 93 93 17844 1 . ALA 94 94 17844 1 . GLU 95 95 17844 1 . GLU 96 96 17844 1 . LEU 97 97 17844 1 . GLU 98 98 17844 1 . LEU 99 99 17844 1 . PRO 100 100 17844 1 . PRO 101 101 17844 1 . VAL 102 102 17844 1 . LYS 103 103 17844 1 . ILE 104 104 17844 1 . HIS 105 105 17844 1 . CYS 106 106 17844 1 . SER 107 107 17844 1 . ILE 108 108 17844 1 . LEU 109 109 17844 1 . ALA 110 110 17844 1 . GLU 111 111 17844 1 . ASP 112 112 17844 1 . ALA 113 113 17844 1 . ILE 114 114 17844 1 . LYS 115 115 17844 1 . ALA 116 116 17844 1 . ALA 117 117 17844 1 . ILE 118 118 17844 1 . ALA 119 119 17844 1 . ASP 120 120 17844 1 . TYR 121 121 17844 1 . LYS 122 122 17844 1 . SER 123 123 17844 1 . LYS 124 124 17844 1 . ARG 125 125 17844 1 . GLU 126 126 17844 1 . ALA 127 127 17844 1 . LYS 128 128 17844 1 stop_ save_ save_IscS _Entity.Sf_category entity _Entity.Sf_framecode IscS _Entity.Entry_ID 17844 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IscS _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 ; MKLPIYLDYSATTPVDPRVA EKMMQFMTMDGTFGNPASRS HRFGWQAEEAVDIARNQIAD LVGADPREIVFTSGATESDN LAIKGAANFYQKKGKHIITS KTEHKAVLDTCRQLEREGFE VTYLAPQRNGIIDLKELEAA MRDDTILVSIMHVNNEIGVV QDIAAIGEMCRARGIIYHVD ATQSVGKLPIDLSQLKVDLM SFSGHKIYGPKGIGALYVRR KPRVRIEAQMHGGGHERGMR SGTLPVHQIVGMGEAYRIAK EEMATEMERLRGLRNRLWNG IKDIEEVYLNGDLEHGAPNI LNVSFNYVEGESLIMALKDL AVSSGSACTSASLEPSYVLR ALGLNDELAHSSIRFSLGRF TTEEEIDYTIELVRKSIGRL RDLSPLWEMYKQGVDLNSIE WAHH ; _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 404 _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 2015-01-30 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 PDB 1P3W . "X-Ray Crystal Structure Of E. Coli Iscs" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 2 no PDB 3LVJ . "Crystal Structure Of E.Coli Iscs-Tusa Complex (Form 1)" . . . . . 100.00 423 100.00 100.00 0.00e+00 . . . . 17844 2 3 no PDB 3LVK . "Crystal Structure Of E.Coli Iscs-Tusa Complex (Form 2)" . . . . . 100.00 423 100.00 100.00 0.00e+00 . . . . 17844 2 4 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 100.00 423 100.00 100.00 0.00e+00 . . . . 17844 2 5 no PDB 3LVM . "Crystal Structure Of E.Coli Iscs" . . . . . 100.00 423 100.00 100.00 0.00e+00 . . . . 17844 2 6 no DBJ BAA16424 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 7 no DBJ BAB36819 . "cysteine desulfurase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 8 no DBJ BAG78340 . "putative aminotransferase [Escherichia coli SE11]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 9 no DBJ BAI26775 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 10 no DBJ BAI31804 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 404 99.75 100.00 0.00e+00 . . . . 17844 2 11 no EMBL CAD02746 . "putative L-cysteine desulfurase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 404 97.03 98.76 0.00e+00 . . . . 17844 2 12 no EMBL CAP76982 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia coli LF82]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 13 no EMBL CAQ32903 . "cysteine desulfurase monomer, subunit of cysteine desulfurase [Escherichia coli BL21(DE3)]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 14 no EMBL CAQ88186 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 404 99.75 100.00 0.00e+00 . . . . 17844 2 15 no EMBL CAQ99421 . "cysteine desulfurase (tRNA sulfurtransferase), PLP-dependent [Escherichia coli IAI1]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 16 no GB AAG57644 . "putative aminotransferase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 17 no GB AAL21437 . "putative aminotransferase class-V [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 404 97.28 98.76 0.00e+00 . . . . 17844 2 18 no GB AAN44076 . "putative aminotransferase [Shigella flexneri 2a str. 301]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 19 no GB AAN81506 . "Cysteine desulfurase [Escherichia coli CFT073]" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 20 no GB AAO68037 . "putative L-cysteine desulfurase [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 404 97.03 98.76 0.00e+00 . . . . 17844 2 21 no PIR A65030 . "probable iron-sulfur cofactor synthesis protein b2530 - Escherichia coli (strain K-12)" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 22 no PIR AF0824 . "probable L-cysteine desulfurase STY2789 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 404 97.03 98.76 0.00e+00 . . . . 17844 2 23 no PIR D91053 . "cysteine desulfurase [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 24 no PIR H85897 . "probable aminotransferase yfhO [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 25 no REF NP_289087 . "cysteine desulfurase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 412 100.00 100.00 0.00e+00 . . . . 17844 2 26 no REF NP_311423 . "cysteine desulfurase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 27 no REF NP_457074 . "L-cysteine desulfurase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 404 97.03 98.76 0.00e+00 . . . . 17844 2 28 no REF NP_461478 . "cysteine desulfurase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 404 97.28 98.76 0.00e+00 . . . . 17844 2 29 no REF NP_708369 . "cysteine desulfurase [Shigella flexneri 2a str. 301]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 30 no SP A7ZPX4 . "RecName: Full=Cysteine desulfurase IscS [Escherichia coli E24377A]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 31 no SP A8A336 . "RecName: Full=Cysteine desulfurase IscS [Escherichia coli HS]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 32 no SP A9MHJ4 . "RecName: Full=Cysteine desulfurase IscS [Salmonella enterica subsp. arizonae serovar 62:z4,z23:-]" . . . . . 100.00 404 97.03 98.51 0.00e+00 . . . . 17844 2 33 no SP A9N1X5 . "RecName: Full=Cysteine desulfurase IscS [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" . . . . . 100.00 404 97.28 98.76 0.00e+00 . . . . 17844 2 34 no SP B1IWD1 . "RecName: Full=Cysteine desulfurase IscS [Escherichia coli ATCC 8739]" . . . . . 100.00 404 100.00 100.00 0.00e+00 . . . . 17844 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cysteine desulfurase' 17844 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 . 17844 2 2 . LYS . 17844 2 3 . LEU . 17844 2 4 . PRO . 17844 2 5 . ILE . 17844 2 6 . TYR . 17844 2 7 . LEU . 17844 2 8 . ASP . 17844 2 9 . TYR . 17844 2 10 . SER . 17844 2 11 . ALA . 17844 2 12 . THR . 17844 2 13 . THR . 17844 2 14 . PRO . 17844 2 15 . VAL . 17844 2 16 . ASP . 17844 2 17 . PRO . 17844 2 18 . ARG . 17844 2 19 . VAL . 17844 2 20 . ALA . 17844 2 21 . GLU . 17844 2 22 . LYS . 17844 2 23 . MET . 17844 2 24 . MET . 17844 2 25 . GLN . 17844 2 26 . PHE . 17844 2 27 . MET . 17844 2 28 . THR . 17844 2 29 . MET . 17844 2 30 . ASP . 17844 2 31 . GLY . 17844 2 32 . THR . 17844 2 33 . PHE . 17844 2 34 . GLY . 17844 2 35 . ASN . 17844 2 36 . PRO . 17844 2 37 . ALA . 17844 2 38 . SER . 17844 2 39 . ARG . 17844 2 40 . SER . 17844 2 41 . HIS . 17844 2 42 . ARG . 17844 2 43 . PHE . 17844 2 44 . GLY . 17844 2 45 . TRP . 17844 2 46 . GLN . 17844 2 47 . ALA . 17844 2 48 . GLU . 17844 2 49 . GLU . 17844 2 50 . ALA . 17844 2 51 . VAL . 17844 2 52 . ASP . 17844 2 53 . ILE . 17844 2 54 . ALA . 17844 2 55 . ARG . 17844 2 56 . ASN . 17844 2 57 . GLN . 17844 2 58 . ILE . 17844 2 59 . ALA . 17844 2 60 . ASP . 17844 2 61 . LEU . 17844 2 62 . VAL . 17844 2 63 . GLY . 17844 2 64 . ALA . 17844 2 65 . ASP . 17844 2 66 . PRO . 17844 2 67 . ARG . 17844 2 68 . GLU . 17844 2 69 . ILE . 17844 2 70 . VAL . 17844 2 71 . PHE . 17844 2 72 . THR . 17844 2 73 . SER . 17844 2 74 . GLY . 17844 2 75 . ALA . 17844 2 76 . THR . 17844 2 77 . GLU . 17844 2 78 . SER . 17844 2 79 . ASP . 17844 2 80 . ASN . 17844 2 81 . LEU . 17844 2 82 . ALA . 17844 2 83 . ILE . 17844 2 84 . LYS . 17844 2 85 . GLY . 17844 2 86 . ALA . 17844 2 87 . ALA . 17844 2 88 . ASN . 17844 2 89 . PHE . 17844 2 90 . TYR . 17844 2 91 . GLN . 17844 2 92 . LYS . 17844 2 93 . LYS . 17844 2 94 . GLY . 17844 2 95 . LYS . 17844 2 96 . HIS . 17844 2 97 . ILE . 17844 2 98 . ILE . 17844 2 99 . THR . 17844 2 100 . SER . 17844 2 101 . LYS . 17844 2 102 . THR . 17844 2 103 . GLU . 17844 2 104 . HIS . 17844 2 105 . LYS . 17844 2 106 . ALA . 17844 2 107 . VAL . 17844 2 108 . LEU . 17844 2 109 . ASP . 17844 2 110 . THR . 17844 2 111 . CYS . 17844 2 112 . ARG . 17844 2 113 . GLN . 17844 2 114 . LEU . 17844 2 115 . GLU . 17844 2 116 . ARG . 17844 2 117 . GLU . 17844 2 118 . GLY . 17844 2 119 . PHE . 17844 2 120 . GLU . 17844 2 121 . VAL . 17844 2 122 . THR . 17844 2 123 . TYR . 17844 2 124 . LEU . 17844 2 125 . ALA . 17844 2 126 . PRO . 17844 2 127 . GLN . 17844 2 128 . ARG . 17844 2 129 . ASN . 17844 2 130 . GLY . 17844 2 131 . ILE . 17844 2 132 . ILE . 17844 2 133 . ASP . 17844 2 134 . LEU . 17844 2 135 . LYS . 17844 2 136 . GLU . 17844 2 137 . LEU . 17844 2 138 . GLU . 17844 2 139 . ALA . 17844 2 140 . ALA . 17844 2 141 . MET . 17844 2 142 . ARG . 17844 2 143 . ASP . 17844 2 144 . ASP . 17844 2 145 . THR . 17844 2 146 . ILE . 17844 2 147 . LEU . 17844 2 148 . VAL . 17844 2 149 . SER . 17844 2 150 . ILE . 17844 2 151 . MET . 17844 2 152 . HIS . 17844 2 153 . VAL . 17844 2 154 . ASN . 17844 2 155 . ASN . 17844 2 156 . GLU . 17844 2 157 . ILE . 17844 2 158 . GLY . 17844 2 159 . VAL . 17844 2 160 . VAL . 17844 2 161 . GLN . 17844 2 162 . ASP . 17844 2 163 . ILE . 17844 2 164 . ALA . 17844 2 165 . ALA . 17844 2 166 . ILE . 17844 2 167 . GLY . 17844 2 168 . GLU . 17844 2 169 . MET . 17844 2 170 . CYS . 17844 2 171 . ARG . 17844 2 172 . ALA . 17844 2 173 . ARG . 17844 2 174 . GLY . 17844 2 175 . ILE . 17844 2 176 . ILE . 17844 2 177 . TYR . 17844 2 178 . HIS . 17844 2 179 . VAL . 17844 2 180 . ASP . 17844 2 181 . ALA . 17844 2 182 . THR . 17844 2 183 . GLN . 17844 2 184 . SER . 17844 2 185 . VAL . 17844 2 186 . GLY . 17844 2 187 . LYS . 17844 2 188 . LEU . 17844 2 189 . PRO . 17844 2 190 . ILE . 17844 2 191 . ASP . 17844 2 192 . LEU . 17844 2 193 . SER . 17844 2 194 . GLN . 17844 2 195 . LEU . 17844 2 196 . LYS . 17844 2 197 . VAL . 17844 2 198 . ASP . 17844 2 199 . LEU . 17844 2 200 . MET . 17844 2 201 . SER . 17844 2 202 . PHE . 17844 2 203 . SER . 17844 2 204 . GLY . 17844 2 205 . HIS . 17844 2 206 . LYS . 17844 2 207 . ILE . 17844 2 208 . TYR . 17844 2 209 . GLY . 17844 2 210 . PRO . 17844 2 211 . LYS . 17844 2 212 . GLY . 17844 2 213 . ILE . 17844 2 214 . GLY . 17844 2 215 . ALA . 17844 2 216 . LEU . 17844 2 217 . TYR . 17844 2 218 . VAL . 17844 2 219 . ARG . 17844 2 220 . ARG . 17844 2 221 . LYS . 17844 2 222 . PRO . 17844 2 223 . ARG . 17844 2 224 . VAL . 17844 2 225 . ARG . 17844 2 226 . ILE . 17844 2 227 . GLU . 17844 2 228 . ALA . 17844 2 229 . GLN . 17844 2 230 . MET . 17844 2 231 . HIS . 17844 2 232 . GLY . 17844 2 233 . GLY . 17844 2 234 . GLY . 17844 2 235 . HIS . 17844 2 236 . GLU . 17844 2 237 . ARG . 17844 2 238 . GLY . 17844 2 239 . MET . 17844 2 240 . ARG . 17844 2 241 . SER . 17844 2 242 . GLY . 17844 2 243 . THR . 17844 2 244 . LEU . 17844 2 245 . PRO . 17844 2 246 . VAL . 17844 2 247 . HIS . 17844 2 248 . GLN . 17844 2 249 . ILE . 17844 2 250 . VAL . 17844 2 251 . GLY . 17844 2 252 . MET . 17844 2 253 . GLY . 17844 2 254 . GLU . 17844 2 255 . ALA . 17844 2 256 . TYR . 17844 2 257 . ARG . 17844 2 258 . ILE . 17844 2 259 . ALA . 17844 2 260 . LYS . 17844 2 261 . GLU . 17844 2 262 . GLU . 17844 2 263 . MET . 17844 2 264 . ALA . 17844 2 265 . THR . 17844 2 266 . GLU . 17844 2 267 . MET . 17844 2 268 . GLU . 17844 2 269 . ARG . 17844 2 270 . LEU . 17844 2 271 . ARG . 17844 2 272 . GLY . 17844 2 273 . LEU . 17844 2 274 . ARG . 17844 2 275 . ASN . 17844 2 276 . ARG . 17844 2 277 . LEU . 17844 2 278 . TRP . 17844 2 279 . ASN . 17844 2 280 . GLY . 17844 2 281 . ILE . 17844 2 282 . LYS . 17844 2 283 . ASP . 17844 2 284 . ILE . 17844 2 285 . GLU . 17844 2 286 . GLU . 17844 2 287 . VAL . 17844 2 288 . TYR . 17844 2 289 . LEU . 17844 2 290 . ASN . 17844 2 291 . GLY . 17844 2 292 . ASP . 17844 2 293 . LEU . 17844 2 294 . GLU . 17844 2 295 . HIS . 17844 2 296 . GLY . 17844 2 297 . ALA . 17844 2 298 . PRO . 17844 2 299 . ASN . 17844 2 300 . ILE . 17844 2 301 . LEU . 17844 2 302 . ASN . 17844 2 303 . VAL . 17844 2 304 . SER . 17844 2 305 . PHE . 17844 2 306 . ASN . 17844 2 307 . TYR . 17844 2 308 . VAL . 17844 2 309 . GLU . 17844 2 310 . GLY . 17844 2 311 . GLU . 17844 2 312 . SER . 17844 2 313 . LEU . 17844 2 314 . ILE . 17844 2 315 . MET . 17844 2 316 . ALA . 17844 2 317 . LEU . 17844 2 318 . LYS . 17844 2 319 . ASP . 17844 2 320 . LEU . 17844 2 321 . ALA . 17844 2 322 . VAL . 17844 2 323 . SER . 17844 2 324 . SER . 17844 2 325 . GLY . 17844 2 326 . SER . 17844 2 327 . ALA . 17844 2 328 . CYS . 17844 2 329 . THR . 17844 2 330 . SER . 17844 2 331 . ALA . 17844 2 332 . SER . 17844 2 333 . LEU . 17844 2 334 . GLU . 17844 2 335 . PRO . 17844 2 336 . SER . 17844 2 337 . TYR . 17844 2 338 . VAL . 17844 2 339 . LEU . 17844 2 340 . ARG . 17844 2 341 . ALA . 17844 2 342 . LEU . 17844 2 343 . GLY . 17844 2 344 . LEU . 17844 2 345 . ASN . 17844 2 346 . ASP . 17844 2 347 . GLU . 17844 2 348 . LEU . 17844 2 349 . ALA . 17844 2 350 . HIS . 17844 2 351 . SER . 17844 2 352 . SER . 17844 2 353 . ILE . 17844 2 354 . ARG . 17844 2 355 . PHE . 17844 2 356 . SER . 17844 2 357 . LEU . 17844 2 358 . GLY . 17844 2 359 . ARG . 17844 2 360 . PHE . 17844 2 361 . THR . 17844 2 362 . THR . 17844 2 363 . GLU . 17844 2 364 . GLU . 17844 2 365 . GLU . 17844 2 366 . ILE . 17844 2 367 . ASP . 17844 2 368 . TYR . 17844 2 369 . THR . 17844 2 370 . ILE . 17844 2 371 . GLU . 17844 2 372 . LEU . 17844 2 373 . VAL . 17844 2 374 . ARG . 17844 2 375 . LYS . 17844 2 376 . SER . 17844 2 377 . ILE . 17844 2 378 . GLY . 17844 2 379 . ARG . 17844 2 380 . LEU . 17844 2 381 . ARG . 17844 2 382 . ASP . 17844 2 383 . LEU . 17844 2 384 . SER . 17844 2 385 . PRO . 17844 2 386 . LEU . 17844 2 387 . TRP . 17844 2 388 . GLU . 17844 2 389 . MET . 17844 2 390 . TYR . 17844 2 391 . LYS . 17844 2 392 . GLN . 17844 2 393 . GLY . 17844 2 394 . VAL . 17844 2 395 . ASP . 17844 2 396 . LEU . 17844 2 397 . ASN . 17844 2 398 . SER . 17844 2 399 . ILE . 17844 2 400 . GLU . 17844 2 401 . TRP . 17844 2 402 . ALA . 17844 2 403 . HIS . 17844 2 404 . HIS . 17844 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 17844 2 . LYS 2 2 17844 2 . LEU 3 3 17844 2 . PRO 4 4 17844 2 . ILE 5 5 17844 2 . TYR 6 6 17844 2 . LEU 7 7 17844 2 . ASP 8 8 17844 2 . TYR 9 9 17844 2 . SER 10 10 17844 2 . ALA 11 11 17844 2 . THR 12 12 17844 2 . THR 13 13 17844 2 . PRO 14 14 17844 2 . VAL 15 15 17844 2 . ASP 16 16 17844 2 . PRO 17 17 17844 2 . ARG 18 18 17844 2 . VAL 19 19 17844 2 . ALA 20 20 17844 2 . GLU 21 21 17844 2 . LYS 22 22 17844 2 . MET 23 23 17844 2 . MET 24 24 17844 2 . GLN 25 25 17844 2 . PHE 26 26 17844 2 . MET 27 27 17844 2 . THR 28 28 17844 2 . MET 29 29 17844 2 . ASP 30 30 17844 2 . GLY 31 31 17844 2 . THR 32 32 17844 2 . PHE 33 33 17844 2 . GLY 34 34 17844 2 . ASN 35 35 17844 2 . PRO 36 36 17844 2 . ALA 37 37 17844 2 . SER 38 38 17844 2 . ARG 39 39 17844 2 . SER 40 40 17844 2 . HIS 41 41 17844 2 . ARG 42 42 17844 2 . PHE 43 43 17844 2 . GLY 44 44 17844 2 . TRP 45 45 17844 2 . GLN 46 46 17844 2 . ALA 47 47 17844 2 . GLU 48 48 17844 2 . GLU 49 49 17844 2 . ALA 50 50 17844 2 . VAL 51 51 17844 2 . ASP 52 52 17844 2 . ILE 53 53 17844 2 . ALA 54 54 17844 2 . ARG 55 55 17844 2 . ASN 56 56 17844 2 . GLN 57 57 17844 2 . ILE 58 58 17844 2 . ALA 59 59 17844 2 . ASP 60 60 17844 2 . LEU 61 61 17844 2 . VAL 62 62 17844 2 . GLY 63 63 17844 2 . ALA 64 64 17844 2 . ASP 65 65 17844 2 . PRO 66 66 17844 2 . ARG 67 67 17844 2 . GLU 68 68 17844 2 . ILE 69 69 17844 2 . VAL 70 70 17844 2 . PHE 71 71 17844 2 . THR 72 72 17844 2 . SER 73 73 17844 2 . GLY 74 74 17844 2 . ALA 75 75 17844 2 . THR 76 76 17844 2 . GLU 77 77 17844 2 . SER 78 78 17844 2 . ASP 79 79 17844 2 . ASN 80 80 17844 2 . LEU 81 81 17844 2 . ALA 82 82 17844 2 . ILE 83 83 17844 2 . LYS 84 84 17844 2 . GLY 85 85 17844 2 . ALA 86 86 17844 2 . ALA 87 87 17844 2 . ASN 88 88 17844 2 . PHE 89 89 17844 2 . TYR 90 90 17844 2 . GLN 91 91 17844 2 . LYS 92 92 17844 2 . LYS 93 93 17844 2 . GLY 94 94 17844 2 . LYS 95 95 17844 2 . HIS 96 96 17844 2 . ILE 97 97 17844 2 . ILE 98 98 17844 2 . THR 99 99 17844 2 . SER 100 100 17844 2 . LYS 101 101 17844 2 . THR 102 102 17844 2 . GLU 103 103 17844 2 . HIS 104 104 17844 2 . LYS 105 105 17844 2 . ALA 106 106 17844 2 . VAL 107 107 17844 2 . LEU 108 108 17844 2 . ASP 109 109 17844 2 . THR 110 110 17844 2 . CYS 111 111 17844 2 . ARG 112 112 17844 2 . GLN 113 113 17844 2 . LEU 114 114 17844 2 . GLU 115 115 17844 2 . ARG 116 116 17844 2 . GLU 117 117 17844 2 . GLY 118 118 17844 2 . PHE 119 119 17844 2 . GLU 120 120 17844 2 . VAL 121 121 17844 2 . THR 122 122 17844 2 . TYR 123 123 17844 2 . LEU 124 124 17844 2 . ALA 125 125 17844 2 . PRO 126 126 17844 2 . GLN 127 127 17844 2 . ARG 128 128 17844 2 . ASN 129 129 17844 2 . GLY 130 130 17844 2 . ILE 131 131 17844 2 . ILE 132 132 17844 2 . ASP 133 133 17844 2 . LEU 134 134 17844 2 . LYS 135 135 17844 2 . GLU 136 136 17844 2 . LEU 137 137 17844 2 . GLU 138 138 17844 2 . ALA 139 139 17844 2 . ALA 140 140 17844 2 . MET 141 141 17844 2 . ARG 142 142 17844 2 . ASP 143 143 17844 2 . ASP 144 144 17844 2 . THR 145 145 17844 2 . ILE 146 146 17844 2 . LEU 147 147 17844 2 . VAL 148 148 17844 2 . SER 149 149 17844 2 . ILE 150 150 17844 2 . MET 151 151 17844 2 . HIS 152 152 17844 2 . VAL 153 153 17844 2 . ASN 154 154 17844 2 . ASN 155 155 17844 2 . GLU 156 156 17844 2 . ILE 157 157 17844 2 . GLY 158 158 17844 2 . VAL 159 159 17844 2 . VAL 160 160 17844 2 . GLN 161 161 17844 2 . ASP 162 162 17844 2 . ILE 163 163 17844 2 . ALA 164 164 17844 2 . ALA 165 165 17844 2 . ILE 166 166 17844 2 . GLY 167 167 17844 2 . GLU 168 168 17844 2 . MET 169 169 17844 2 . CYS 170 170 17844 2 . ARG 171 171 17844 2 . ALA 172 172 17844 2 . ARG 173 173 17844 2 . GLY 174 174 17844 2 . ILE 175 175 17844 2 . ILE 176 176 17844 2 . TYR 177 177 17844 2 . HIS 178 178 17844 2 . VAL 179 179 17844 2 . ASP 180 180 17844 2 . ALA 181 181 17844 2 . THR 182 182 17844 2 . GLN 183 183 17844 2 . SER 184 184 17844 2 . VAL 185 185 17844 2 . GLY 186 186 17844 2 . LYS 187 187 17844 2 . LEU 188 188 17844 2 . PRO 189 189 17844 2 . ILE 190 190 17844 2 . ASP 191 191 17844 2 . LEU 192 192 17844 2 . SER 193 193 17844 2 . GLN 194 194 17844 2 . LEU 195 195 17844 2 . LYS 196 196 17844 2 . VAL 197 197 17844 2 . ASP 198 198 17844 2 . LEU 199 199 17844 2 . MET 200 200 17844 2 . SER 201 201 17844 2 . PHE 202 202 17844 2 . SER 203 203 17844 2 . GLY 204 204 17844 2 . HIS 205 205 17844 2 . LYS 206 206 17844 2 . ILE 207 207 17844 2 . TYR 208 208 17844 2 . GLY 209 209 17844 2 . PRO 210 210 17844 2 . LYS 211 211 17844 2 . GLY 212 212 17844 2 . ILE 213 213 17844 2 . GLY 214 214 17844 2 . ALA 215 215 17844 2 . LEU 216 216 17844 2 . TYR 217 217 17844 2 . VAL 218 218 17844 2 . ARG 219 219 17844 2 . ARG 220 220 17844 2 . LYS 221 221 17844 2 . PRO 222 222 17844 2 . ARG 223 223 17844 2 . VAL 224 224 17844 2 . ARG 225 225 17844 2 . ILE 226 226 17844 2 . GLU 227 227 17844 2 . ALA 228 228 17844 2 . GLN 229 229 17844 2 . MET 230 230 17844 2 . HIS 231 231 17844 2 . GLY 232 232 17844 2 . GLY 233 233 17844 2 . GLY 234 234 17844 2 . HIS 235 235 17844 2 . GLU 236 236 17844 2 . ARG 237 237 17844 2 . GLY 238 238 17844 2 . MET 239 239 17844 2 . ARG 240 240 17844 2 . SER 241 241 17844 2 . GLY 242 242 17844 2 . THR 243 243 17844 2 . LEU 244 244 17844 2 . PRO 245 245 17844 2 . VAL 246 246 17844 2 . HIS 247 247 17844 2 . GLN 248 248 17844 2 . ILE 249 249 17844 2 . VAL 250 250 17844 2 . GLY 251 251 17844 2 . MET 252 252 17844 2 . GLY 253 253 17844 2 . GLU 254 254 17844 2 . ALA 255 255 17844 2 . TYR 256 256 17844 2 . ARG 257 257 17844 2 . ILE 258 258 17844 2 . ALA 259 259 17844 2 . LYS 260 260 17844 2 . GLU 261 261 17844 2 . GLU 262 262 17844 2 . MET 263 263 17844 2 . ALA 264 264 17844 2 . THR 265 265 17844 2 . GLU 266 266 17844 2 . MET 267 267 17844 2 . GLU 268 268 17844 2 . ARG 269 269 17844 2 . LEU 270 270 17844 2 . ARG 271 271 17844 2 . GLY 272 272 17844 2 . LEU 273 273 17844 2 . ARG 274 274 17844 2 . ASN 275 275 17844 2 . ARG 276 276 17844 2 . LEU 277 277 17844 2 . TRP 278 278 17844 2 . ASN 279 279 17844 2 . GLY 280 280 17844 2 . ILE 281 281 17844 2 . LYS 282 282 17844 2 . ASP 283 283 17844 2 . ILE 284 284 17844 2 . GLU 285 285 17844 2 . GLU 286 286 17844 2 . VAL 287 287 17844 2 . TYR 288 288 17844 2 . LEU 289 289 17844 2 . ASN 290 290 17844 2 . GLY 291 291 17844 2 . ASP 292 292 17844 2 . LEU 293 293 17844 2 . GLU 294 294 17844 2 . HIS 295 295 17844 2 . GLY 296 296 17844 2 . ALA 297 297 17844 2 . PRO 298 298 17844 2 . ASN 299 299 17844 2 . ILE 300 300 17844 2 . LEU 301 301 17844 2 . ASN 302 302 17844 2 . VAL 303 303 17844 2 . SER 304 304 17844 2 . PHE 305 305 17844 2 . ASN 306 306 17844 2 . TYR 307 307 17844 2 . VAL 308 308 17844 2 . GLU 309 309 17844 2 . GLY 310 310 17844 2 . GLU 311 311 17844 2 . SER 312 312 17844 2 . LEU 313 313 17844 2 . ILE 314 314 17844 2 . MET 315 315 17844 2 . ALA 316 316 17844 2 . LEU 317 317 17844 2 . LYS 318 318 17844 2 . ASP 319 319 17844 2 . LEU 320 320 17844 2 . ALA 321 321 17844 2 . VAL 322 322 17844 2 . SER 323 323 17844 2 . SER 324 324 17844 2 . GLY 325 325 17844 2 . SER 326 326 17844 2 . ALA 327 327 17844 2 . CYS 328 328 17844 2 . THR 329 329 17844 2 . SER 330 330 17844 2 . ALA 331 331 17844 2 . SER 332 332 17844 2 . LEU 333 333 17844 2 . GLU 334 334 17844 2 . PRO 335 335 17844 2 . SER 336 336 17844 2 . TYR 337 337 17844 2 . VAL 338 338 17844 2 . LEU 339 339 17844 2 . ARG 340 340 17844 2 . ALA 341 341 17844 2 . LEU 342 342 17844 2 . GLY 343 343 17844 2 . LEU 344 344 17844 2 . ASN 345 345 17844 2 . ASP 346 346 17844 2 . GLU 347 347 17844 2 . LEU 348 348 17844 2 . ALA 349 349 17844 2 . HIS 350 350 17844 2 . SER 351 351 17844 2 . SER 352 352 17844 2 . ILE 353 353 17844 2 . ARG 354 354 17844 2 . PHE 355 355 17844 2 . SER 356 356 17844 2 . LEU 357 357 17844 2 . GLY 358 358 17844 2 . ARG 359 359 17844 2 . PHE 360 360 17844 2 . THR 361 361 17844 2 . THR 362 362 17844 2 . GLU 363 363 17844 2 . GLU 364 364 17844 2 . GLU 365 365 17844 2 . ILE 366 366 17844 2 . ASP 367 367 17844 2 . TYR 368 368 17844 2 . THR 369 369 17844 2 . ILE 370 370 17844 2 . GLU 371 371 17844 2 . LEU 372 372 17844 2 . VAL 373 373 17844 2 . ARG 374 374 17844 2 . LYS 375 375 17844 2 . SER 376 376 17844 2 . ILE 377 377 17844 2 . GLY 378 378 17844 2 . ARG 379 379 17844 2 . LEU 380 380 17844 2 . ARG 381 381 17844 2 . ASP 382 382 17844 2 . LEU 383 383 17844 2 . SER 384 384 17844 2 . PRO 385 385 17844 2 . LEU 386 386 17844 2 . TRP 387 387 17844 2 . GLU 388 388 17844 2 . MET 389 389 17844 2 . TYR 390 390 17844 2 . LYS 391 391 17844 2 . GLN 392 392 17844 2 . GLY 393 393 17844 2 . VAL 394 394 17844 2 . ASP 395 395 17844 2 . LEU 396 396 17844 2 . ASN 397 397 17844 2 . SER 398 398 17844 2 . ILE 399 399 17844 2 . GLU 400 400 17844 2 . TRP 401 401 17844 2 . ALA 402 402 17844 2 . HIS 403 403 17844 2 . HIS 404 404 17844 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 17844 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . iscu . . . . 17844 1 2 2 $IscS . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . iscs . . . . 17844 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 17844 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pTrc99a . . . . . . 17844 1 2 2 $IscS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rossetta(DE3)pLysS . . . . . . . . . . . . . . . pET11a . . . . . . 17844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_IscU:IscS _Sample.Sf_category sample _Sample.Sf_framecode IscU:IscS _Sample.Entry_ID 17844 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 '[U-13C; U-15N]' . . 1 $IscU . . 1 . . mM . . . . 17844 1 2 IscS 'natural abundance' . . 2 $IscS . . 1.5 . . mM . . . . 17844 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17844 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17844 1 5 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17844 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17844 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17844 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17844 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 17844 _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' . . M 17844 1 pH 7.5 . pH 17844 1 pressure 1 . atm 17844 1 temperature 298 . K 17844 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17844 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17844 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17844 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17844 _Software.ID 2 _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' . . 17844 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17844 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17844 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17844 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17844 3 'data analysis' 17844 3 'peak picking' 17844 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 17844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 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 17844 _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 INOVA . 600 . . . 17844 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 17844 _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 HSQC' no . . . . . . . . . . 1 $IscU:IscS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17844 1 2 '3D HNCO' no . . . . . . . . . . 1 $IscU:IscS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17844 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 17844 _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 na indirect 0.251449530 . . . . . . . . . 17844 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17844 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17844 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17844 _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 . _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 HSQC' . . . 17844 1 2 '3D HNCO' . . . 17844 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 4 4 SER C C 13 173.763 0.300 . 1 . . . . 4 SER C . 17844 1 2 . 1 1 5 5 GLU H H 1 8.363 0.030 . 1 . . . . 5 GLU H . 17844 1 3 . 1 1 5 5 GLU C C 13 176.057 0.300 . 1 . . . . 5 GLU C . 17844 1 4 . 1 1 5 5 GLU N N 15 123.127 0.300 . 1 . . . . 5 GLU N . 17844 1 5 . 1 1 6 6 LYS H H 1 8.245 0.030 . 1 . . . . 6 LYS H . 17844 1 6 . 1 1 6 6 LYS C C 13 176.206 0.300 . 1 . . . . 6 LYS C . 17844 1 7 . 1 1 6 6 LYS N N 15 122.196 0.300 . 1 . . . . 6 LYS N . 17844 1 8 . 1 1 7 7 VAL H H 1 8.173 0.030 . 1 . . . . 7 VAL H . 17844 1 9 . 1 1 7 7 VAL C C 13 175.948 0.300 . 1 . . . . 7 VAL C . 17844 1 10 . 1 1 7 7 VAL N N 15 123.121 0.300 . 1 . . . . 7 VAL N . 17844 1 11 . 1 1 8 8 ILE H H 1 8.210 0.030 . 1 . . . . 8 ILE H . 17844 1 12 . 1 1 8 8 ILE C C 13 175.511 0.300 . 1 . . . . 8 ILE C . 17844 1 13 . 1 1 8 8 ILE N N 15 125.073 0.300 . 1 . . . . 8 ILE N . 17844 1 14 . 1 1 9 9 ASP H H 1 8.269 0.030 . 1 . . . . 9 ASP H . 17844 1 15 . 1 1 9 9 ASP C C 13 175.686 0.300 . 1 . . . . 9 ASP C . 17844 1 16 . 1 1 9 9 ASP N N 15 124.433 0.300 . 1 . . . . 9 ASP N . 17844 1 17 . 1 1 10 10 HIS H H 1 8.120 0.030 . 1 . . . . 10 HIS H . 17844 1 18 . 1 1 10 10 HIS C C 13 174.770 0.300 . 1 . . . . 10 HIS C . 17844 1 19 . 1 1 10 10 HIS N N 15 119.913 0.300 . 1 . . . . 10 HIS N . 17844 1 20 . 1 1 11 11 TYR H H 1 8.098 0.030 . 1 . . . . 11 TYR H . 17844 1 21 . 1 1 11 11 TYR C C 13 175.362 0.300 . 1 . . . . 11 TYR C . 17844 1 22 . 1 1 11 11 TYR N N 15 121.513 0.300 . 1 . . . . 11 TYR N . 17844 1 23 . 1 1 12 12 GLU H H 1 8.147 0.030 . 1 . . . . 12 GLU H . 17844 1 24 . 1 1 12 12 GLU C C 13 175.363 0.300 . 1 . . . . 12 GLU C . 17844 1 25 . 1 1 12 12 GLU N N 15 122.546 0.300 . 1 . . . . 12 GLU N . 17844 1 26 . 1 1 13 13 ASN H H 1 8.336 0.030 . 1 . . . . 13 ASN H . 17844 1 27 . 1 1 13 13 ASN N N 15 120.873 0.300 . 1 . . . . 13 ASN N . 17844 1 28 . 1 1 14 14 PRO C C 13 176.936 0.300 . 1 . . . . 14 PRO C . 17844 1 29 . 1 1 15 15 ARG H H 1 8.312 0.030 . 1 . . . . 15 ARG H . 17844 1 30 . 1 1 15 15 ARG C C 13 176.083 0.300 . 1 . . . . 15 ARG C . 17844 1 31 . 1 1 15 15 ARG N N 15 120.020 0.300 . 1 . . . . 15 ARG N . 17844 1 32 . 1 1 16 16 ASN H H 1 8.319 0.030 . 1 . . . . 16 ASN H . 17844 1 33 . 1 1 16 16 ASN N N 15 119.414 0.300 . 1 . . . . 16 ASN N . 17844 1 34 . 1 1 17 17 VAL C C 13 176.499 0.300 . 1 . . . . 17 VAL C . 17844 1 35 . 1 1 18 18 GLY H H 1 8.430 0.030 . 1 . . . . 18 GLY H . 17844 1 36 . 1 1 18 18 GLY C C 13 173.859 0.300 . 1 . . . . 18 GLY C . 17844 1 37 . 1 1 18 18 GLY N N 15 112.127 0.300 . 1 . . . . 18 GLY N . 17844 1 38 . 1 1 19 19 SER H H 1 8.017 0.030 . 1 . . . . 19 SER H . 17844 1 39 . 1 1 19 19 SER C C 13 174.165 0.300 . 1 . . . . 19 SER C . 17844 1 40 . 1 1 19 19 SER N N 15 115.288 0.300 . 1 . . . . 19 SER N . 17844 1 41 . 1 1 20 20 PHE H H 1 8.285 0.030 . 1 . . . . 20 PHE H . 17844 1 42 . 1 1 20 20 PHE C C 13 175.285 0.300 . 1 . . . . 20 PHE C . 17844 1 43 . 1 1 20 20 PHE N N 15 121.844 0.300 . 1 . . . . 20 PHE N . 17844 1 44 . 1 1 21 21 ASP H H 1 8.259 0.030 . 1 . . . . 21 ASP H . 17844 1 45 . 1 1 21 21 ASP C C 13 175.640 0.300 . 1 . . . . 21 ASP C . 17844 1 46 . 1 1 21 21 ASP N N 15 121.422 0.300 . 1 . . . . 21 ASP N . 17844 1 47 . 1 1 22 22 ASN H H 1 8.281 0.030 . 1 . . . . 22 ASN H . 17844 1 48 . 1 1 22 22 ASN C C 13 174.973 0.300 . 1 . . . . 22 ASN C . 17844 1 49 . 1 1 22 22 ASN N N 15 119.041 0.300 . 1 . . . . 22 ASN N . 17844 1 50 . 1 1 23 23 ASN H H 1 8.442 0.030 . 1 . . . . 23 ASN H . 17844 1 51 . 1 1 23 23 ASN C C 13 175.012 0.300 . 1 . . . . 23 ASN C . 17844 1 52 . 1 1 23 23 ASN N N 15 119.294 0.300 . 1 . . . . 23 ASN N . 17844 1 53 . 1 1 24 24 ASP H H 1 8.278 0.030 . 1 . . . . 24 ASP H . 17844 1 54 . 1 1 24 24 ASP C C 13 176.466 0.300 . 1 . . . . 24 ASP C . 17844 1 55 . 1 1 24 24 ASP N N 15 120.670 0.300 . 1 . . . . 24 ASP N . 17844 1 56 . 1 1 25 25 GLU H H 1 8.360 0.030 . 1 . . . . 25 GLU H . 17844 1 57 . 1 1 25 25 GLU C C 13 176.437 0.300 . 1 . . . . 25 GLU C . 17844 1 58 . 1 1 25 25 GLU N N 15 120.841 0.300 . 1 . . . . 25 GLU N . 17844 1 59 . 1 1 26 26 ASN H H 1 8.428 0.030 . 1 . . . . 26 ASN H . 17844 1 60 . 1 1 26 26 ASN C C 13 175.376 0.300 . 1 . . . . 26 ASN C . 17844 1 61 . 1 1 26 26 ASN N N 15 119.104 0.300 . 1 . . . . 26 ASN N . 17844 1 62 . 1 1 27 27 VAL H H 1 7.986 0.030 . 1 . . . . 27 VAL H . 17844 1 63 . 1 1 27 27 VAL C C 13 176.815 0.300 . 1 . . . . 27 VAL C . 17844 1 64 . 1 1 27 27 VAL N N 15 119.889 0.300 . 1 . . . . 27 VAL N . 17844 1 65 . 1 1 28 28 GLY H H 1 8.444 0.030 . 1 . . . . 28 GLY H . 17844 1 66 . 1 1 28 28 GLY C C 13 174.421 0.300 . 1 . . . . 28 GLY C . 17844 1 67 . 1 1 28 28 GLY N N 15 111.902 0.300 . 1 . . . . 28 GLY N . 17844 1 68 . 1 1 29 29 SER H H 1 8.225 0.030 . 1 . . . . 29 SER H . 17844 1 69 . 1 1 29 29 SER C C 13 175.228 0.300 . 1 . . . . 29 SER C . 17844 1 70 . 1 1 29 29 SER N N 15 115.687 0.300 . 1 . . . . 29 SER N . 17844 1 71 . 1 1 30 30 GLY H H 1 8.470 0.030 . 1 . . . . 30 GLY H . 17844 1 72 . 1 1 30 30 GLY C C 13 174.032 0.300 . 1 . . . . 30 GLY C . 17844 1 73 . 1 1 30 30 GLY N N 15 110.690 0.300 . 1 . . . . 30 GLY N . 17844 1 74 . 1 1 31 31 MET H H 1 8.127 0.030 . 1 . . . . 31 MET H . 17844 1 75 . 1 1 31 31 MET C C 13 176.200 0.300 . 1 . . . . 31 MET C . 17844 1 76 . 1 1 31 31 MET N N 15 119.833 0.300 . 1 . . . . 31 MET N . 17844 1 77 . 1 1 32 32 VAL H H 1 8.168 0.030 . 1 . . . . 32 VAL H . 17844 1 78 . 1 1 32 32 VAL C C 13 176.531 0.300 . 1 . . . . 32 VAL C . 17844 1 79 . 1 1 32 32 VAL N N 15 121.783 0.300 . 1 . . . . 32 VAL N . 17844 1 80 . 1 1 33 33 GLY H H 1 8.459 0.030 . 1 . . . . 33 GLY H . 17844 1 81 . 1 1 33 33 GLY C C 13 173.251 0.300 . 1 . . . . 33 GLY C . 17844 1 82 . 1 1 33 33 GLY N N 15 112.907 0.300 . 1 . . . . 33 GLY N . 17844 1 83 . 1 1 34 34 ALA H H 1 8.068 0.030 . 1 . . . . 34 ALA H . 17844 1 84 . 1 1 34 34 ALA N N 15 124.761 0.300 . 1 . . . . 34 ALA N . 17844 1 85 . 1 1 35 35 PRO C C 13 176.732 0.300 . 1 . . . . 35 PRO C . 17844 1 86 . 1 1 36 36 ALA H H 1 8.459 0.030 . 1 . . . . 36 ALA H . 17844 1 87 . 1 1 36 36 ALA C C 13 177.750 0.300 . 1 . . . . 36 ALA C . 17844 1 88 . 1 1 36 36 ALA N N 15 124.544 0.300 . 1 . . . . 36 ALA N . 17844 1 89 . 1 1 37 37 CYS H H 1 8.328 0.030 . 1 . . . . 37 CYS H . 17844 1 90 . 1 1 37 37 CYS C C 13 175.039 0.300 . 1 . . . . 37 CYS C . 17844 1 91 . 1 1 37 37 CYS N N 15 118.367 0.300 . 1 . . . . 37 CYS N . 17844 1 92 . 1 1 38 38 GLY H H 1 8.414 0.030 . 1 . . . . 38 GLY H . 17844 1 93 . 1 1 38 38 GLY C C 13 173.746 0.300 . 1 . . . . 38 GLY C . 17844 1 94 . 1 1 38 38 GLY N N 15 111.270 0.300 . 1 . . . . 38 GLY N . 17844 1 95 . 1 1 39 39 ASP H H 1 8.202 0.030 . 1 . . . . 39 ASP H . 17844 1 96 . 1 1 39 39 ASP C C 13 176.687 0.300 . 1 . . . . 39 ASP C . 17844 1 97 . 1 1 39 39 ASP N N 15 120.780 0.300 . 1 . . . . 39 ASP N . 17844 1 98 . 1 1 40 40 VAL H H 1 8.061 0.030 . 1 . . . . 40 VAL H . 17844 1 99 . 1 1 40 40 VAL C C 13 176.574 0.300 . 1 . . . . 40 VAL C . 17844 1 100 . 1 1 40 40 VAL N N 15 120.120 0.300 . 1 . . . . 40 VAL N . 17844 1 101 . 1 1 41 41 MET H H 1 8.329 0.030 . 1 . . . . 41 MET H . 17844 1 102 . 1 1 41 41 MET C C 13 176.462 0.300 . 1 . . . . 41 MET C . 17844 1 103 . 1 1 41 41 MET N N 15 122.434 0.300 . 1 . . . . 41 MET N . 17844 1 104 . 1 1 42 42 LYS H H 1 8.092 0.030 . 1 . . . . 42 LYS H . 17844 1 105 . 1 1 42 42 LYS C C 13 176.388 0.300 . 1 . . . . 42 LYS C . 17844 1 106 . 1 1 42 42 LYS N N 15 121.904 0.300 . 1 . . . . 42 LYS N . 17844 1 107 . 1 1 43 43 LEU H H 1 8.055 0.030 . 1 . . . . 43 LEU H . 17844 1 108 . 1 1 43 43 LEU N N 15 122.452 0.300 . 1 . . . . 43 LEU N . 17844 1 109 . 1 1 44 44 GLN C C 13 175.548 0.300 . 1 . . . . 44 GLN C . 17844 1 110 . 1 1 45 45 ILE H H 1 8.072 0.030 . 1 . . . . 45 ILE H . 17844 1 111 . 1 1 45 45 ILE C C 13 175.773 0.300 . 1 . . . . 45 ILE C . 17844 1 112 . 1 1 45 45 ILE N N 15 122.446 0.300 . 1 . . . . 45 ILE N . 17844 1 113 . 1 1 46 46 LYS H H 1 8.389 0.030 . 1 . . . . 46 LYS H . 17844 1 114 . 1 1 46 46 LYS N N 15 126.279 0.300 . 1 . . . . 46 LYS N . 17844 1 115 . 1 1 47 47 VAL C C 13 175.786 0.300 . 1 . . . . 47 VAL C . 17844 1 116 . 1 1 48 48 ASN H H 1 8.502 0.030 . 1 . . . . 48 ASN H . 17844 1 117 . 1 1 48 48 ASN N N 15 122.383 0.300 . 1 . . . . 48 ASN N . 17844 1 118 . 1 1 50 50 GLU C C 13 176.982 0.300 . 1 . . . . 50 GLU C . 17844 1 119 . 1 1 51 51 GLY H H 1 8.369 0.030 . 1 . . . . 51 GLY H . 17844 1 120 . 1 1 51 51 GLY C C 13 173.908 0.300 . 1 . . . . 51 GLY C . 17844 1 121 . 1 1 51 51 GLY N N 15 109.100 0.300 . 1 . . . . 51 GLY N . 17844 1 122 . 1 1 52 52 ILE H H 1 7.852 0.030 . 1 . . . . 52 ILE H . 17844 1 123 . 1 1 52 52 ILE C C 13 176.187 0.300 . 1 . . . . 52 ILE C . 17844 1 124 . 1 1 52 52 ILE N N 15 120.280 0.300 . 1 . . . . 52 ILE N . 17844 1 125 . 1 1 53 53 ILE H H 1 8.230 0.030 . 1 . . . . 53 ILE H . 17844 1 126 . 1 1 53 53 ILE C C 13 176.158 0.300 . 1 . . . . 53 ILE C . 17844 1 127 . 1 1 53 53 ILE N N 15 125.755 0.300 . 1 . . . . 53 ILE N . 17844 1 128 . 1 1 54 54 GLU H H 1 8.498 0.030 . 1 . . . . 54 GLU H . 17844 1 129 . 1 1 54 54 GLU C C 13 175.925 0.300 . 1 . . . . 54 GLU C . 17844 1 130 . 1 1 54 54 GLU N N 15 125.979 0.300 . 1 . . . . 54 GLU N . 17844 1 131 . 1 1 55 55 ASP H H 1 8.314 0.030 . 1 . . . . 55 ASP H . 17844 1 132 . 1 1 55 55 ASP C C 13 176.384 0.300 . 1 . . . . 55 ASP C . 17844 1 133 . 1 1 55 55 ASP N N 15 122.137 0.300 . 1 . . . . 55 ASP N . 17844 1 134 . 1 1 56 56 ALA H H 1 8.371 0.030 . 1 . . . . 56 ALA H . 17844 1 135 . 1 1 56 56 ALA C C 13 178.424 0.300 . 1 . . . . 56 ALA C . 17844 1 136 . 1 1 56 56 ALA N N 15 125.651 0.300 . 1 . . . . 56 ALA N . 17844 1 137 . 1 1 57 57 ARG H H 1 8.221 0.030 . 1 . . . . 57 ARG H . 17844 1 138 . 1 1 57 57 ARG C C 13 176.760 0.300 . 1 . . . . 57 ARG C . 17844 1 139 . 1 1 57 57 ARG N N 15 118.288 0.300 . 1 . . . . 57 ARG N . 17844 1 140 . 1 1 58 58 PHE H H 1 7.902 0.030 . 1 . . . . 58 PHE H . 17844 1 141 . 1 1 58 58 PHE N N 15 118.369 0.300 . 1 . . . . 58 PHE N . 17844 1 142 . 1 1 71 71 SER C C 13 174.320 0.300 . 1 . . . . 71 SER C . 17844 1 143 . 1 1 72 72 LEU H H 1 8.114 0.030 . 1 . . . . 72 LEU H . 17844 1 144 . 1 1 72 72 LEU N N 15 123.704 0.300 . 1 . . . . 72 LEU N . 17844 1 145 . 1 1 73 73 VAL C C 13 176.304 0.300 . 1 . . . . 73 VAL C . 17844 1 146 . 1 1 74 74 THR H H 1 8.072 0.030 . 1 . . . . 74 THR H . 17844 1 147 . 1 1 74 74 THR C C 13 174.471 0.300 . 1 . . . . 74 THR C . 17844 1 148 . 1 1 74 74 THR N N 15 117.424 0.300 . 1 . . . . 74 THR N . 17844 1 149 . 1 1 75 75 GLU H H 1 8.235 0.030 . 1 . . . . 75 GLU H . 17844 1 150 . 1 1 75 75 GLU C C 13 176.014 0.300 . 1 . . . . 75 GLU C . 17844 1 151 . 1 1 75 75 GLU N N 15 122.795 0.300 . 1 . . . . 75 GLU N . 17844 1 152 . 1 1 76 76 TRP H H 1 8.153 0.030 . 1 . . . . 76 TRP H . 17844 1 153 . 1 1 76 76 TRP C C 13 176.199 0.300 . 1 . . . . 76 TRP C . 17844 1 154 . 1 1 76 76 TRP N N 15 122.700 0.300 . 1 . . . . 76 TRP N . 17844 1 155 . 1 1 77 77 VAL H H 1 7.851 0.030 . 1 . . . . 77 VAL H . 17844 1 156 . 1 1 77 77 VAL N N 15 121.951 0.300 . 1 . . . . 77 VAL N . 17844 1 157 . 1 1 78 78 LYS C C 13 177.102 0.300 . 1 . . . . 78 LYS C . 17844 1 158 . 1 1 79 79 GLY H H 1 8.339 0.030 . 1 . . . . 79 GLY H . 17844 1 159 . 1 1 79 79 GLY N N 15 110.157 0.300 . 1 . . . . 79 GLY N . 17844 1 160 . 1 1 80 80 LYS C C 13 176.613 0.300 . 1 . . . . 80 LYS C . 17844 1 161 . 1 1 81 81 SER H H 1 8.377 0.030 . 1 . . . . 81 SER H . 17844 1 162 . 1 1 81 81 SER C C 13 174.719 0.300 . 1 . . . . 81 SER C . 17844 1 163 . 1 1 81 81 SER N N 15 117.317 0.300 . 1 . . . . 81 SER N . 17844 1 164 . 1 1 82 82 LEU H H 1 8.362 0.030 . 1 . . . . 82 LEU H . 17844 1 165 . 1 1 82 82 LEU C C 13 177.326 0.300 . 1 . . . . 82 LEU C . 17844 1 166 . 1 1 82 82 LEU N N 15 124.203 0.300 . 1 . . . . 82 LEU N . 17844 1 167 . 1 1 83 83 ASP H H 1 8.225 0.030 . 1 . . . . 83 ASP H . 17844 1 168 . 1 1 83 83 ASP C C 13 176.717 0.300 . 1 . . . . 83 ASP C . 17844 1 169 . 1 1 83 83 ASP N N 15 120.388 0.300 . 1 . . . . 83 ASP N . 17844 1 170 . 1 1 84 84 GLU H H 1 8.234 0.030 . 1 . . . . 84 GLU H . 17844 1 171 . 1 1 84 84 GLU C C 13 176.757 0.300 . 1 . . . . 84 GLU C . 17844 1 172 . 1 1 84 84 GLU N N 15 121.445 0.300 . 1 . . . . 84 GLU N . 17844 1 173 . 1 1 85 85 ALA H H 1 8.232 0.030 . 1 . . . . 85 ALA H . 17844 1 174 . 1 1 85 85 ALA C C 13 178.145 0.300 . 1 . . . . 85 ALA C . 17844 1 175 . 1 1 85 85 ALA N N 15 123.782 0.300 . 1 . . . . 85 ALA N . 17844 1 176 . 1 1 86 86 GLN H H 1 8.109 0.030 . 1 . . . . 86 GLN H . 17844 1 177 . 1 1 86 86 GLN C C 13 175.831 0.300 . 1 . . . . 86 GLN C . 17844 1 178 . 1 1 86 86 GLN N N 15 118.247 0.300 . 1 . . . . 86 GLN N . 17844 1 179 . 1 1 87 87 ALA H H 1 8.092 0.030 . 1 . . . . 87 ALA H . 17844 1 180 . 1 1 87 87 ALA C C 13 177.703 0.300 . 1 . . . . 87 ALA C . 17844 1 181 . 1 1 87 87 ALA N N 15 124.534 0.300 . 1 . . . . 87 ALA N . 17844 1 182 . 1 1 88 88 ILE H H 1 8.009 0.030 . 1 . . . . 88 ILE H . 17844 1 183 . 1 1 88 88 ILE C C 13 176.224 0.300 . 1 . . . . 88 ILE C . 17844 1 184 . 1 1 88 88 ILE N N 15 119.948 0.300 . 1 . . . . 88 ILE N . 17844 1 185 . 1 1 89 89 LYS H H 1 8.292 0.030 . 1 . . . . 89 LYS H . 17844 1 186 . 1 1 89 89 LYS N N 15 125.471 0.300 . 1 . . . . 89 LYS N . 17844 1 187 . 1 1 90 90 ASN C C 13 175.461 0.300 . 1 . . . . 90 ASN C . 17844 1 188 . 1 1 91 91 THR H H 1 8.114 0.030 . 1 . . . . 91 THR H . 17844 1 189 . 1 1 91 91 THR C C 13 174.220 0.300 . 1 . . . . 91 THR C . 17844 1 190 . 1 1 91 91 THR N N 15 113.982 0.300 . 1 . . . . 91 THR N . 17844 1 191 . 1 1 92 92 ASP H H 1 8.332 0.030 . 1 . . . . 92 ASP H . 17844 1 192 . 1 1 92 92 ASP C C 13 176.050 0.300 . 1 . . . . 92 ASP C . 17844 1 193 . 1 1 92 92 ASP N N 15 122.869 0.300 . 1 . . . . 92 ASP N . 17844 1 194 . 1 1 93 93 ILE H H 1 7.946 0.030 . 1 . . . . 93 ILE H . 17844 1 195 . 1 1 93 93 ILE C C 13 175.829 0.300 . 1 . . . . 93 ILE C . 17844 1 196 . 1 1 93 93 ILE N N 15 120.657 0.300 . 1 . . . . 93 ILE N . 17844 1 197 . 1 1 94 94 ALA H H 1 8.317 0.030 . 1 . . . . 94 ALA H . 17844 1 198 . 1 1 94 94 ALA C C 13 177.669 0.300 . 1 . . . . 94 ALA C . 17844 1 199 . 1 1 94 94 ALA N N 15 128.259 0.300 . 1 . . . . 94 ALA N . 17844 1 200 . 1 1 95 95 GLU H H 1 8.309 0.030 . 1 . . . . 95 GLU H . 17844 1 201 . 1 1 95 95 GLU C C 13 176.491 0.300 . 1 . . . . 95 GLU C . 17844 1 202 . 1 1 95 95 GLU N N 15 120.436 0.300 . 1 . . . . 95 GLU N . 17844 1 203 . 1 1 96 96 GLU H H 1 8.393 0.030 . 1 . . . . 96 GLU H . 17844 1 204 . 1 1 96 96 GLU N N 15 121.835 0.300 . 1 . . . . 96 GLU N . 17844 1 205 . 1 1 101 101 PRO C C 13 176.860 0.300 . 1 . . . . 101 PRO C . 17844 1 206 . 1 1 102 102 VAL H H 1 8.128 0.030 . 1 . . . . 102 VAL H . 17844 1 207 . 1 1 102 102 VAL C C 13 175.990 0.300 . 1 . . . . 102 VAL C . 17844 1 208 . 1 1 102 102 VAL N N 15 120.273 0.300 . 1 . . . . 102 VAL N . 17844 1 209 . 1 1 103 103 LYS H H 1 8.323 0.030 . 1 . . . . 103 LYS H . 17844 1 210 . 1 1 103 103 LYS N N 15 125.661 0.300 . 1 . . . . 103 LYS N . 17844 1 211 . 1 1 107 107 SER C C 13 174.323 0.300 . 1 . . . . 107 SER C . 17844 1 212 . 1 1 108 108 ILE H H 1 8.161 0.030 . 1 . . . . 108 ILE H . 17844 1 213 . 1 1 108 108 ILE N N 15 122.891 0.300 . 1 . . . . 108 ILE N . 17844 1 214 . 1 1 109 109 LEU C C 13 177.131 0.300 . 1 . . . . 109 LEU C . 17844 1 215 . 1 1 110 110 ALA H H 1 8.267 0.030 . 1 . . . . 110 ALA H . 17844 1 216 . 1 1 110 110 ALA C C 13 178.155 0.300 . 1 . . . . 110 ALA C . 17844 1 217 . 1 1 110 110 ALA N N 15 125.209 0.300 . 1 . . . . 110 ALA N . 17844 1 218 . 1 1 111 111 GLU H H 1 8.453 0.030 . 1 . . . . 111 GLU H . 17844 1 219 . 1 1 111 111 GLU C C 13 176.785 0.300 . 1 . . . . 111 GLU C . 17844 1 220 . 1 1 111 111 GLU N N 15 119.673 0.300 . 1 . . . . 111 GLU N . 17844 1 221 . 1 1 112 112 ASP H H 1 8.218 0.030 . 1 . . . . 112 ASP H . 17844 1 222 . 1 1 112 112 ASP C C 13 176.500 0.300 . 1 . . . . 112 ASP C . 17844 1 223 . 1 1 112 112 ASP N N 15 120.218 0.300 . 1 . . . . 112 ASP N . 17844 1 224 . 1 1 113 113 ALA H H 1 7.984 0.030 . 1 . . . . 113 ALA H . 17844 1 225 . 1 1 113 113 ALA C C 13 178.323 0.300 . 1 . . . . 113 ALA C . 17844 1 226 . 1 1 113 113 ALA N N 15 123.714 0.300 . 1 . . . . 113 ALA N . 17844 1 227 . 1 1 114 114 ILE H H 1 7.928 0.030 . 1 . . . . 114 ILE H . 17844 1 228 . 1 1 114 114 ILE N N 15 119.361 0.300 . 1 . . . . 114 ILE N . 17844 1 229 . 1 1 127 127 ALA C C 13 176.448 0.300 . 1 . . . . 127 ALA C . 17844 1 230 . 1 1 128 128 LYS H H 1 7.856 0.030 . 1 . . . . 128 LYS H . 17844 1 231 . 1 1 128 128 LYS N N 15 126.113 0.300 . 1 . . . . 128 LYS N . 17844 1 stop_ save_