data_18814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18814 _Entry.Title ; 13C and 15N NMR chemical shifts of E. coli full-length H-NS protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-31 _Entry.Accession_date 2012-10-31 _Entry.Last_release_date 2014-02-14 _Entry.Original_release_date 2014-02-14 _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 SOLID-STATE _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 Marie Renault . A.M. . 18814 2 Jesus Garcia . . . 18814 3 Tiago Cordeiro . N. . 18814 4 Marc Baldus . . . 18814 5 Miquel Pons . . . 18814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 155 18814 '15N chemical shifts' 7 18814 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 . . 2014-02-14 2012-10-31 original author . 18814 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18814 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23601147 _Citation.Full_citation . _Citation.Title 'Protein oligomers studied by solid-state NMR--the case of the full-length nucleoid-associated protein histone-like nucleoid structuring protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 280 _Citation.Journal_issue 12 _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 2916 _Citation.Page_last 2928 _Citation.Year 2013 _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 Marie Renault . . . 18814 1 2 Jesus Garcia . . . 18814 1 3 Tiago Cordeiro . N. . 18814 1 4 Marc Baldus . . . 18814 1 5 Miquel Pons . . . 18814 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chromatin 18814 1 H-NS 18814 1 'sequential assignment' 18814 1 'solid-state NMR' 18814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18814 _Assembly.ID 1 _Assembly.Name 'H-NS oligomers' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'H-NS 1-137' 1 $H-NS A . yes native no no . . . 18814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-NS _Entity.Sf_category entity _Entity.Sf_framecode H-NS _Entity.Entry_ID 18814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H-NS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEALKILNNIRTLRAQARE CTLETLEEMLEKLEVVVNER REEESAAAAEVEERTRKLQQ YREMLIADGIDPNELLNSLA AVKSGTKAKRAQRPAKYSYV DENGETKTWTGQGRTPAVIK KAMDEQGKSLDDFLIKQ ; _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 137 _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 DBJ BAA36117 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 2 no DBJ BAB35162 . "DNA-binding protein H-NS [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 3 no DBJ BAG76811 . "DNA-binding protein [Escherichia coli SE11]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 4 no DBJ BAI25048 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 137 99.27 100.00 7.15e-92 . . . . 18814 1 5 no DBJ BAI30173 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 6 no EMBL CAA30530 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 7 no EMBL CAA31522 . "unnamed protein product [Shigella flexneri]" . . . . . 79.56 109 100.00 100.00 2.70e-71 . . . . 18814 1 8 no EMBL CAA40507 . "DNA-binding protein OsmZ [H-NS(H1a)] [Escherichia coli]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 9 no EMBL CAA42565 . "histone-like protein H-NS [Escherichia coli K-12]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 10 no EMBL CAA47322 . "virR [Shigella flexneri]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 11 no GB AAC74319 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 12 no GB AAG56094 . "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 13 no GB AAN42850 . "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Shigella flexneri 2a str. 301]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 14 no GB AAN80168 . "DNA-binding protein H-NS [Escherichia coli CFT073]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 15 no GB AAP16735 . "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 16 no PRF 1607341A . "drdX gene" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 17 no REF NP_309766 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 18 no REF NP_415753 . "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 19 no REF NP_707143 . "global DNA-binding transcriptional dual regulator H-NS [Shigella flexneri 2a str. 301]" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 20 no REF WP_000004409 . "DNA-binding protein H-NS [Escherichia coli]" . . . . . 100.00 137 99.27 100.00 7.15e-92 . . . . 18814 1 21 no REF WP_000330568 . "DNA-binding protein, nucleoid-associated, partial [Escherichia coli]" . . . . . 86.13 118 100.00 100.00 4.08e-78 . . . . 18814 1 22 no SP P09120 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Pathogenesis protein KcpA" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 23 no SP P0ACF8 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 24 no SP P0ACF9 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 1 25 no SP P0ACG0 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 100.00 137 100.00 100.00 2.40e-92 . . . . 18814 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 . 18814 1 2 . SER . 18814 1 3 . GLU . 18814 1 4 . ALA . 18814 1 5 . LEU . 18814 1 6 . LYS . 18814 1 7 . ILE . 18814 1 8 . LEU . 18814 1 9 . ASN . 18814 1 10 . ASN . 18814 1 11 . ILE . 18814 1 12 . ARG . 18814 1 13 . THR . 18814 1 14 . LEU . 18814 1 15 . ARG . 18814 1 16 . ALA . 18814 1 17 . GLN . 18814 1 18 . ALA . 18814 1 19 . ARG . 18814 1 20 . GLU . 18814 1 21 . CYS . 18814 1 22 . THR . 18814 1 23 . LEU . 18814 1 24 . GLU . 18814 1 25 . THR . 18814 1 26 . LEU . 18814 1 27 . GLU . 18814 1 28 . GLU . 18814 1 29 . MET . 18814 1 30 . LEU . 18814 1 31 . GLU . 18814 1 32 . LYS . 18814 1 33 . LEU . 18814 1 34 . GLU . 18814 1 35 . VAL . 18814 1 36 . VAL . 18814 1 37 . VAL . 18814 1 38 . ASN . 18814 1 39 . GLU . 18814 1 40 . ARG . 18814 1 41 . ARG . 18814 1 42 . GLU . 18814 1 43 . GLU . 18814 1 44 . GLU . 18814 1 45 . SER . 18814 1 46 . ALA . 18814 1 47 . ALA . 18814 1 48 . ALA . 18814 1 49 . ALA . 18814 1 50 . GLU . 18814 1 51 . VAL . 18814 1 52 . GLU . 18814 1 53 . GLU . 18814 1 54 . ARG . 18814 1 55 . THR . 18814 1 56 . ARG . 18814 1 57 . LYS . 18814 1 58 . LEU . 18814 1 59 . GLN . 18814 1 60 . GLN . 18814 1 61 . TYR . 18814 1 62 . ARG . 18814 1 63 . GLU . 18814 1 64 . MET . 18814 1 65 . LEU . 18814 1 66 . ILE . 18814 1 67 . ALA . 18814 1 68 . ASP . 18814 1 69 . GLY . 18814 1 70 . ILE . 18814 1 71 . ASP . 18814 1 72 . PRO . 18814 1 73 . ASN . 18814 1 74 . GLU . 18814 1 75 . LEU . 18814 1 76 . LEU . 18814 1 77 . ASN . 18814 1 78 . SER . 18814 1 79 . LEU . 18814 1 80 . ALA . 18814 1 81 . ALA . 18814 1 82 . VAL . 18814 1 83 . LYS . 18814 1 84 . SER . 18814 1 85 . GLY . 18814 1 86 . THR . 18814 1 87 . LYS . 18814 1 88 . ALA . 18814 1 89 . LYS . 18814 1 90 . ARG . 18814 1 91 . ALA . 18814 1 92 . GLN . 18814 1 93 . ARG . 18814 1 94 . PRO . 18814 1 95 . ALA . 18814 1 96 . LYS . 18814 1 97 . TYR . 18814 1 98 . SER . 18814 1 99 . TYR . 18814 1 100 . VAL . 18814 1 101 . ASP . 18814 1 102 . GLU . 18814 1 103 . ASN . 18814 1 104 . GLY . 18814 1 105 . GLU . 18814 1 106 . THR . 18814 1 107 . LYS . 18814 1 108 . THR . 18814 1 109 . TRP . 18814 1 110 . THR . 18814 1 111 . GLY . 18814 1 112 . GLN . 18814 1 113 . GLY . 18814 1 114 . ARG . 18814 1 115 . THR . 18814 1 116 . PRO . 18814 1 117 . ALA . 18814 1 118 . VAL . 18814 1 119 . ILE . 18814 1 120 . LYS . 18814 1 121 . LYS . 18814 1 122 . ALA . 18814 1 123 . MET . 18814 1 124 . ASP . 18814 1 125 . GLU . 18814 1 126 . GLN . 18814 1 127 . GLY . 18814 1 128 . LYS . 18814 1 129 . SER . 18814 1 130 . LEU . 18814 1 131 . ASP . 18814 1 132 . ASP . 18814 1 133 . PHE . 18814 1 134 . LEU . 18814 1 135 . ILE . 18814 1 136 . LYS . 18814 1 137 . GLN . 18814 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 18814 1 . SER 2 2 18814 1 . GLU 3 3 18814 1 . ALA 4 4 18814 1 . LEU 5 5 18814 1 . LYS 6 6 18814 1 . ILE 7 7 18814 1 . LEU 8 8 18814 1 . ASN 9 9 18814 1 . ASN 10 10 18814 1 . ILE 11 11 18814 1 . ARG 12 12 18814 1 . THR 13 13 18814 1 . LEU 14 14 18814 1 . ARG 15 15 18814 1 . ALA 16 16 18814 1 . GLN 17 17 18814 1 . ALA 18 18 18814 1 . ARG 19 19 18814 1 . GLU 20 20 18814 1 . CYS 21 21 18814 1 . THR 22 22 18814 1 . LEU 23 23 18814 1 . GLU 24 24 18814 1 . THR 25 25 18814 1 . LEU 26 26 18814 1 . GLU 27 27 18814 1 . GLU 28 28 18814 1 . MET 29 29 18814 1 . LEU 30 30 18814 1 . GLU 31 31 18814 1 . LYS 32 32 18814 1 . LEU 33 33 18814 1 . GLU 34 34 18814 1 . VAL 35 35 18814 1 . VAL 36 36 18814 1 . VAL 37 37 18814 1 . ASN 38 38 18814 1 . GLU 39 39 18814 1 . ARG 40 40 18814 1 . ARG 41 41 18814 1 . GLU 42 42 18814 1 . GLU 43 43 18814 1 . GLU 44 44 18814 1 . SER 45 45 18814 1 . ALA 46 46 18814 1 . ALA 47 47 18814 1 . ALA 48 48 18814 1 . ALA 49 49 18814 1 . GLU 50 50 18814 1 . VAL 51 51 18814 1 . GLU 52 52 18814 1 . GLU 53 53 18814 1 . ARG 54 54 18814 1 . THR 55 55 18814 1 . ARG 56 56 18814 1 . LYS 57 57 18814 1 . LEU 58 58 18814 1 . GLN 59 59 18814 1 . GLN 60 60 18814 1 . TYR 61 61 18814 1 . ARG 62 62 18814 1 . GLU 63 63 18814 1 . MET 64 64 18814 1 . LEU 65 65 18814 1 . ILE 66 66 18814 1 . ALA 67 67 18814 1 . ASP 68 68 18814 1 . GLY 69 69 18814 1 . ILE 70 70 18814 1 . ASP 71 71 18814 1 . PRO 72 72 18814 1 . ASN 73 73 18814 1 . GLU 74 74 18814 1 . LEU 75 75 18814 1 . LEU 76 76 18814 1 . ASN 77 77 18814 1 . SER 78 78 18814 1 . LEU 79 79 18814 1 . ALA 80 80 18814 1 . ALA 81 81 18814 1 . VAL 82 82 18814 1 . LYS 83 83 18814 1 . SER 84 84 18814 1 . GLY 85 85 18814 1 . THR 86 86 18814 1 . LYS 87 87 18814 1 . ALA 88 88 18814 1 . LYS 89 89 18814 1 . ARG 90 90 18814 1 . ALA 91 91 18814 1 . GLN 92 92 18814 1 . ARG 93 93 18814 1 . PRO 94 94 18814 1 . ALA 95 95 18814 1 . LYS 96 96 18814 1 . TYR 97 97 18814 1 . SER 98 98 18814 1 . TYR 99 99 18814 1 . VAL 100 100 18814 1 . ASP 101 101 18814 1 . GLU 102 102 18814 1 . ASN 103 103 18814 1 . GLY 104 104 18814 1 . GLU 105 105 18814 1 . THR 106 106 18814 1 . LYS 107 107 18814 1 . THR 108 108 18814 1 . TRP 109 109 18814 1 . THR 110 110 18814 1 . GLY 111 111 18814 1 . GLN 112 112 18814 1 . GLY 113 113 18814 1 . ARG 114 114 18814 1 . THR 115 115 18814 1 . PRO 116 116 18814 1 . ALA 117 117 18814 1 . VAL 118 118 18814 1 . ILE 119 119 18814 1 . LYS 120 120 18814 1 . LYS 121 121 18814 1 . ALA 122 122 18814 1 . MET 123 123 18814 1 . ASP 124 124 18814 1 . GLU 125 125 18814 1 . GLN 126 126 18814 1 . GLY 127 127 18814 1 . LYS 128 128 18814 1 . SER 129 129 18814 1 . LEU 130 130 18814 1 . ASP 131 131 18814 1 . ASP 132 132 18814 1 . PHE 133 133 18814 1 . LEU 134 134 18814 1 . ILE 135 135 18814 1 . LYS 136 136 18814 1 . GLN 137 137 18814 1 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 18814 _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 $H-NS . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18814 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 18814 _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 $H-NS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H-NS_(1-137) _Sample.Sf_category sample _Sample.Sf_framecode H-NS_(1-137) _Sample.Entry_ID 18814 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'precipitate of self-assembled H-NS oligomers' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 H-NS '[U-100% 13C; U-100% 15N]' . . 1 $H-NS . . 10 . . mg . . . . 18814 1 stop_ save_ save_H-NS_(1-47) _Sample.Sf_category sample _Sample.Sf_framecode H-NS_(1-47) _Sample.Entry_ID 18814 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'Precipitate of the N-terminus domain of H-NS (1-47)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 H-NS '[U-100% 13C; U-100% 15N]' . . 1 $H-NS . . 15 . . mg . . . . 18814 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18814 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'precipitation with 70% ammonium sulphate' 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' 0.25 . M 18814 1 pH 7.0 . pH 18814 1 pressure 1 . atm 18814 1 temperature 277 . K 18814 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18814 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18814 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18814 1 'data analysis' 18814 1 'peak picking' 18814 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18814 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18814 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18814 2 processing 18814 2 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 18814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Avance III' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18814 _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 Bruker Avance . 700 'Avance III' . . 18814 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 18814 _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 13C-13C PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $H-NS_(1-47) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 2 '2D 15N-13C NCACX' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $H-NS_(1-47) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 3 '2D 15N-13C NCOCX' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $H-NS_(1-47) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 4 '2D 13C-13C PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $H-NS_(1-137) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 5 '2D 15N-13C NCACX' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $H-NS_(1-137) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 6 '2D 15N-13C NCOCX' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $H-NS_(1-137) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 7 '3D 15N-13C-13C NCOCX' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $H-NS_(1-137) solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18814 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18814 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18814 _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 . . . . . . . . . 18814 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18814 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 18814 _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 4 '2D 13C-13C PDSD' . . . 18814 1 5 '2D 15N-13C NCACX' . . . 18814 1 7 '3D 15N-13C-13C NCOCX' . . . 18814 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 1 1 MET CE C 13 18.921 . . . . . . . 1 MET CE . 18814 1 2 . 1 1 2 2 SER CA C 13 59.067 . . . . . . . 2 SER CA . 18814 1 3 . 1 1 2 2 SER CB C 13 64.198 . . . . . . . 2 SER CB . 18814 1 4 . 1 1 3 3 GLU CA C 13 59.628 . . . . . . . 3 GLU CA . 18814 1 5 . 1 1 3 3 GLU CB C 13 30.004 . . . . . . . 3 GLU CB . 18814 1 6 . 1 1 3 3 GLU CG C 13 36.556 . . . . . . . 3 GLU CG . 18814 1 7 . 1 1 4 4 ALA CA C 13 55.042 . . . . . . . 4 ALA CA . 18814 1 8 . 1 1 4 4 ALA CB C 13 18.776 . . . . . . . 4 ALA CB . 18814 1 9 . 1 1 5 5 LEU C C 13 178.503 . . . . . . . 5 LEU C . 18814 1 10 . 1 1 5 5 LEU CA C 13 58.303 . . . . . . . 5 LEU CA . 18814 1 11 . 1 1 5 5 LEU CB C 13 42.159 . . . . . . . 5 LEU CB . 18814 1 12 . 1 1 5 5 LEU CG C 13 27.597 . . . . . . . 5 LEU CG . 18814 1 13 . 1 1 5 5 LEU CD1 C 13 23.071 . . . . . . . 5 LEU CD1 . 18814 1 14 . 1 1 5 5 LEU CD2 C 13 22.933 . . . . . . . 5 LEU CD2 . 18814 1 15 . 1 1 6 6 LYS CA C 13 59.750 . . . . . . . 6 LYS CA . 18814 1 16 . 1 1 6 6 LYS CB C 13 32.821 . . . . . . . 6 LYS CB . 18814 1 17 . 1 1 6 6 LYS CG C 13 27.667 . . . . . . . 6 LYS CG . 18814 1 18 . 1 1 6 6 LYS CD C 13 29.994 . . . . . . . 6 LYS CD . 18814 1 19 . 1 1 6 6 LYS CE C 13 43.072 . . . . . . . 6 LYS CE . 18814 1 20 . 1 1 7 7 ILE C C 13 178.094 . . . . . . . 7 ILE C . 18814 1 21 . 1 1 7 7 ILE CA C 13 66.973 . . . . . . . 7 ILE CA . 18814 1 22 . 1 1 7 7 ILE CB C 13 38.312 . . . . . . . 7 ILE CB . 18814 1 23 . 1 1 7 7 ILE CG1 C 13 28.915 . . . . . . . 7 ILE CG1 . 18814 1 24 . 1 1 7 7 ILE CG2 C 13 17.270 . . . . . . . 7 ILE CG2 . 18814 1 25 . 1 1 7 7 ILE CD1 C 13 14.324 . . . . . . . 7 ILE CD1 . 18814 1 26 . 1 1 8 8 LEU C C 13 178.422 . . . . . . . 8 LEU C . 18814 1 27 . 1 1 8 8 LEU CA C 13 60.803 . . . . . . . 8 LEU CA . 18814 1 28 . 1 1 8 8 LEU CB C 13 41.080 . . . . . . . 8 LEU CB . 18814 1 29 . 1 1 8 8 LEU CG C 13 27.398 . . . . . . . 8 LEU CG . 18814 1 30 . 1 1 8 8 LEU CD1 C 13 22.781 . . . . . . . 8 LEU CD1 . 18814 1 31 . 1 1 9 9 ASN CA C 13 53.787 . . . . . . . 9 ASN CA . 18814 1 32 . 1 1 9 9 ASN CB C 13 41.112 . . . . . . . 9 ASN CB . 18814 1 33 . 1 1 10 10 ASN CA C 13 52.354 . . . . . . . 10 ASN CA . 18814 1 34 . 1 1 10 10 ASN CB C 13 40.375 . . . . . . . 10 ASN CB . 18814 1 35 . 1 1 11 11 ILE C C 13 175.377 . . . . . . . 11 ILE C . 18814 1 36 . 1 1 11 11 ILE CA C 13 65.387 . . . . . . . 11 ILE CA . 18814 1 37 . 1 1 11 11 ILE CB C 13 39.193 . . . . . . . 11 ILE CB . 18814 1 38 . 1 1 11 11 ILE CG1 C 13 30.793 . . . . . . . 11 ILE CG1 . 18814 1 39 . 1 1 11 11 ILE CG2 C 13 17.650 . . . . . . . 11 ILE CG2 . 18814 1 40 . 1 1 11 11 ILE CD1 C 13 14.685 . . . . . . . 11 ILE CD1 . 18814 1 41 . 1 1 12 12 ARG CA C 13 60.416 . . . . . . . 12 ARG CA . 18814 1 42 . 1 1 12 12 ARG CB C 13 30.844 . . . . . . . 12 ARG CB . 18814 1 43 . 1 1 12 12 ARG CG C 13 28.245 . . . . . . . 12 ARG CG . 18814 1 44 . 1 1 12 12 ARG CD C 13 43.466 . . . . . . . 12 ARG CD . 18814 1 45 . 1 1 13 13 THR C C 13 176.098 . . . . . . . 13 THR C . 18814 1 46 . 1 1 13 13 THR CA C 13 66.058 . . . . . . . 13 THR CA . 18814 1 47 . 1 1 13 13 THR CB C 13 68.769 . . . . . . . 13 THR CB . 18814 1 48 . 1 1 13 13 THR CG2 C 13 23.215 . . . . . . . 13 THR CG2 . 18814 1 49 . 1 1 13 13 THR N N 15 116.250 . . . . . . . 13 THR N . 18814 1 50 . 1 1 14 14 LEU CA C 13 58.625 . . . . . . . 14 LEU CA . 18814 1 51 . 1 1 14 14 LEU CB C 13 40.756 . . . . . . . 14 LEU CB . 18814 1 52 . 1 1 14 14 LEU CG C 13 27.958 . . . . . . . 14 LEU CG . 18814 1 53 . 1 1 14 14 LEU CD1 C 13 25.473 . . . . . . . 14 LEU CD1 . 18814 1 54 . 1 1 14 14 LEU CD2 C 13 23.006 . . . . . . . 14 LEU CD2 . 18814 1 55 . 1 1 16 16 ALA CA C 13 55.061 . . . . . . . 16 ALA CA . 18814 1 56 . 1 1 16 16 ALA CB C 13 18.923 . . . . . . . 16 ALA CB . 18814 1 57 . 1 1 18 18 ALA CA C 13 55.023 . . . . . . . 18 ALA CA . 18814 1 58 . 1 1 18 18 ALA CB C 13 18.907 . . . . . . . 18 ALA CB . 18814 1 59 . 1 1 19 19 ARG CA C 13 60.634 . . . . . . . 19 ARG CA . 18814 1 60 . 1 1 19 19 ARG CB C 13 30.507 . . . . . . . 19 ARG CB . 18814 1 61 . 1 1 19 19 ARG CG C 13 27.523 . . . . . . . 19 ARG CG . 18814 1 62 . 1 1 19 19 ARG CD C 13 43.587 . . . . . . . 19 ARG CD . 18814 1 63 . 1 1 20 20 GLU CA C 13 59.732 . . . . . . . 20 GLU CA . 18814 1 64 . 1 1 20 20 GLU CB C 13 29.683 . . . . . . . 20 GLU CB . 18814 1 65 . 1 1 20 20 GLU CG C 13 36.541 . . . . . . . 20 GLU CG . 18814 1 66 . 1 1 20 20 GLU CD C 13 184.084 . . . . . . . 20 GLU CD . 18814 1 67 . 1 1 21 21 CYS C C 13 174.981 . . . . . . . 21 CYS C . 18814 1 68 . 1 1 21 21 CYS CA C 13 57.850 . . . . . . . 21 CYS CA . 18814 1 69 . 1 1 21 21 CYS CB C 13 31.079 . . . . . . . 21 CYS CB . 18814 1 70 . 1 1 22 22 THR C C 13 175.251 . . . . . . . 22 THR C . 18814 1 71 . 1 1 22 22 THR CA C 13 61.216 . . . . . . . 22 THR CA . 18814 1 72 . 1 1 22 22 THR CB C 13 70.932 . . . . . . . 22 THR CB . 18814 1 73 . 1 1 22 22 THR CG2 C 13 22.679 . . . . . . . 22 THR CG2 . 18814 1 74 . 1 1 22 22 THR N N 15 113.319 . . . . . . . 22 THR N . 18814 1 75 . 1 1 23 23 LEU C C 13 178.549 . . . . . . . 23 LEU C . 18814 1 76 . 1 1 23 23 LEU CA C 13 58.181 . . . . . . . 23 LEU CA . 18814 1 77 . 1 1 23 23 LEU CB C 13 41.045 . . . . . . . 23 LEU CB . 18814 1 78 . 1 1 23 23 LEU CG C 13 27.179 . . . . . . . 23 LEU CG . 18814 1 79 . 1 1 23 23 LEU CD1 C 13 22.755 . . . . . . . 23 LEU CD1 . 18814 1 80 . 1 1 23 23 LEU N N 15 122.806 . . . . . . . 23 LEU N . 18814 1 81 . 1 1 24 24 GLU C C 13 179.170 . . . . . . . 24 GLU C . 18814 1 82 . 1 1 24 24 GLU CA C 13 60.222 . . . . . . . 24 GLU CA . 18814 1 83 . 1 1 24 24 GLU CB C 13 29.642 . . . . . . . 24 GLU CB . 18814 1 84 . 1 1 24 24 GLU CG C 13 36.648 . . . . . . . 24 GLU CG . 18814 1 85 . 1 1 24 24 GLU CD C 13 184.016 . . . . . . . 24 GLU CD . 18814 1 86 . 1 1 24 24 GLU N N 15 117.141 . . . . . . . 24 GLU N . 18814 1 87 . 1 1 25 25 THR C C 13 176.099 . . . . . . . 25 THR C . 18814 1 88 . 1 1 25 25 THR CA C 13 66.808 . . . . . . . 25 THR CA . 18814 1 89 . 1 1 25 25 THR CB C 13 68.734 . . . . . . . 25 THR CB . 18814 1 90 . 1 1 25 25 THR CG2 C 13 22.537 . . . . . . . 25 THR CG2 . 18814 1 91 . 1 1 25 25 THR N N 15 117.149 . . . . . . . 25 THR N . 18814 1 92 . 1 1 26 26 LEU C C 13 178.750 . . . . . . . 26 LEU C . 18814 1 93 . 1 1 26 26 LEU CA C 13 58.332 . . . . . . . 26 LEU CA . 18814 1 94 . 1 1 26 26 LEU CB C 13 42.361 . . . . . . . 26 LEU CB . 18814 1 95 . 1 1 26 26 LEU CG C 13 27.007 . . . . . . . 26 LEU CG . 18814 1 96 . 1 1 26 26 LEU CD1 C 13 22.733 . . . . . . . 26 LEU CD1 . 18814 1 97 . 1 1 26 26 LEU CD2 C 13 23.401 . . . . . . . 26 LEU CD2 . 18814 1 98 . 1 1 26 26 LEU N N 15 121.637 . . . . . . . 26 LEU N . 18814 1 99 . 1 1 27 27 GLU CA C 13 59.590 . . . . . . . 27 GLU CA . 18814 1 100 . 1 1 27 27 GLU CB C 13 29.736 . . . . . . . 27 GLU CB . 18814 1 101 . 1 1 27 27 GLU CG C 13 36.622 . . . . . . . 27 GLU CG . 18814 1 102 . 1 1 34 34 GLU CA C 13 57.654 . . . . . . . 34 GLU CA . 18814 1 103 . 1 1 34 34 GLU CB C 13 29.788 . . . . . . . 34 GLU CB . 18814 1 104 . 1 1 34 34 GLU CG C 13 38.014 . . . . . . . 34 GLU CG . 18814 1 105 . 1 1 35 35 VAL C C 13 178.894 . . . . . . . 35 VAL C . 18814 1 106 . 1 1 35 35 VAL CA C 13 67.000 . . . . . . . 35 VAL CA . 18814 1 107 . 1 1 35 35 VAL CB C 13 31.944 . . . . . . . 35 VAL CB . 18814 1 108 . 1 1 35 35 VAL CG1 C 13 24.021 . . . . . . . 35 VAL CG1 . 18814 1 109 . 1 1 35 35 VAL CG2 C 13 21.479 . . . . . . . 35 VAL CG2 . 18814 1 110 . 1 1 36 36 VAL C C 13 178.480 . . . . . . . 36 VAL C . 18814 1 111 . 1 1 36 36 VAL CA C 13 67.564 . . . . . . . 36 VAL CA . 18814 1 112 . 1 1 36 36 VAL CB C 13 31.900 . . . . . . . 36 VAL CB . 18814 1 113 . 1 1 36 36 VAL CG1 C 13 23.614 . . . . . . . 36 VAL CG1 . 18814 1 114 . 1 1 37 37 VAL C C 13 177.899 . . . . . . . 37 VAL C . 18814 1 115 . 1 1 37 37 VAL CA C 13 67.838 . . . . . . . 37 VAL CA . 18814 1 116 . 1 1 37 37 VAL CB C 13 31.663 . . . . . . . 37 VAL CB . 18814 1 117 . 1 1 37 37 VAL CG1 C 13 24.949 . . . . . . . 37 VAL CG1 . 18814 1 118 . 1 1 37 37 VAL CG2 C 13 21.655 . . . . . . . 37 VAL CG2 . 18814 1 119 . 1 1 37 37 VAL N N 15 119.142 . . . . . . . 37 VAL N . 18814 1 120 . 1 1 38 38 ASN CA C 13 57.242 . . . . . . . 38 ASN CA . 18814 1 121 . 1 1 38 38 ASN CB C 13 38.183 . . . . . . . 38 ASN CB . 18814 1 122 . 1 1 44 44 GLU CB C 13 29.606 . . . . . . . 44 GLU CB . 18814 1 123 . 1 1 45 45 SER CA C 13 59.157 . . . . . . . 45 SER CA . 18814 1 124 . 1 1 45 45 SER CB C 13 64.150 . . . . . . . 45 SER CB . 18814 1 125 . 1 1 46 46 ALA CA C 13 53.612 . . . . . . . 46 ALA CA . 18814 1 126 . 1 1 46 46 ALA CB C 13 19.992 . . . . . . . 46 ALA CB . 18814 1 127 . 1 1 67 67 ALA CA C 13 54.663 . . . . . . . 67 ALA CA . 18814 1 128 . 1 1 67 67 ALA CB C 13 18.240 . . . . . . . 67 ALA CB . 18814 1 129 . 1 1 68 68 ASP CA C 13 53.039 . . . . . . . 68 ASP CA . 18814 1 130 . 1 1 68 68 ASP CB C 13 40.493 . . . . . . . 68 ASP CB . 18814 1 131 . 1 1 69 69 GLY C C 13 175.112 . . . . . . . 69 GLY C . 18814 1 132 . 1 1 69 69 GLY CA C 13 46.003 . . . . . . . 69 GLY CA . 18814 1 133 . 1 1 70 70 ILE CA C 13 64.721 . . . . . . . 70 ILE CA . 18814 1 134 . 1 1 70 70 ILE CB C 13 37.061 . . . . . . . 70 ILE CB . 18814 1 135 . 1 1 70 70 ILE CG1 C 13 27.512 . . . . . . . 70 ILE CG1 . 18814 1 136 . 1 1 70 70 ILE CG2 C 13 16.220 . . . . . . . 70 ILE CG2 . 18814 1 137 . 1 1 70 70 ILE CD1 C 13 12.822 . . . . . . . 70 ILE CD1 . 18814 1 138 . 1 1 71 71 ASP CA C 13 56.371 . . . . . . . 71 ASP CA . 18814 1 139 . 1 1 71 71 ASP CB C 13 39.447 . . . . . . . 71 ASP CB . 18814 1 140 . 1 1 72 72 PRO CA C 13 65.274 . . . . . . . 72 PRO CA . 18814 1 141 . 1 1 72 72 PRO CB C 13 32.598 . . . . . . . 72 PRO CB . 18814 1 142 . 1 1 72 72 PRO CG C 13 27.937 . . . . . . . 72 PRO CG . 18814 1 143 . 1 1 72 72 PRO CD C 13 50.600 . . . . . . . 72 PRO CD . 18814 1 144 . 1 1 73 73 ASN CA C 13 52.970 . . . . . . . 73 ASN CA . 18814 1 145 . 1 1 73 73 ASN CB C 13 39.669 . . . . . . . 73 ASN CB . 18814 1 146 . 1 1 74 74 GLU CG C 13 35.510 . . . . . . . 74 GLU CG . 18814 1 147 . 1 1 94 94 PRO CA C 13 62.233 . . . . . . . 94 PRO CA . 18814 1 148 . 1 1 94 94 PRO CB C 13 32.552 . . . . . . . 94 PRO CB . 18814 1 149 . 1 1 94 94 PRO CG C 13 27.795 . . . . . . . 94 PRO CG . 18814 1 150 . 1 1 94 94 PRO CD C 13 50.701 . . . . . . . 94 PRO CD . 18814 1 151 . 1 1 95 95 ALA CA C 13 54.776 . . . . . . . 95 ALA CA . 18814 1 152 . 1 1 95 95 ALA CB C 13 18.548 . . . . . . . 95 ALA CB . 18814 1 153 . 1 1 115 115 THR C C 13 174.642 . . . . . . . 115 THR C . 18814 1 154 . 1 1 115 115 THR CA C 13 62.119 . . . . . . . 115 THR CA . 18814 1 155 . 1 1 115 115 THR CB C 13 69.682 . . . . . . . 115 THR CB . 18814 1 156 . 1 1 115 115 THR CG2 C 13 20.712 . . . . . . . 115 THR CG2 . 18814 1 157 . 1 1 116 116 PRO CA C 13 62.513 . . . . . . . 116 PRO CA . 18814 1 158 . 1 1 116 116 PRO CB C 13 31.955 . . . . . . . 116 PRO CB . 18814 1 159 . 1 1 116 116 PRO CG C 13 27.450 . . . . . . . 116 PRO CG . 18814 1 160 . 1 1 116 116 PRO CD C 13 48.773 . . . . . . . 116 PRO CD . 18814 1 161 . 1 1 117 117 ALA CA C 13 54.565 . . . . . . . 117 ALA CA . 18814 1 162 . 1 1 117 117 ALA CB C 13 18.403 . . . . . . . 117 ALA CB . 18814 1 stop_ save_