data_25014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25014 _Entry.Title ; holo_YqcA_dynamics ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-12 _Entry.Accession_date 2014-06-12 _Entry.Last_release_date 2014-09-18 _Entry.Original_release_date 2014-09-18 _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 Changwen Jin . . . 25014 2 Yunfei Hu . . . 25014 3 Qian Ye . . . 25014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 25014 heteronucl_T1_relaxation 1 25014 heteronucl_T2_relaxation 1 25014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 135 25014 'T1 relaxation values' 136 25014 'T2 relaxation values' 136 25014 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 . . 2014-09-18 2014-06-12 original author . 25014 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25013 'apo YqcA' 25014 BMRB 25015 'holo FldA' 25014 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0103936 _Citation.PubMed_ID 25093851 _Citation.Full_citation . _Citation.Title 'Conformational Dynamics of Escherichia coli Flavodoxins in Apo- and Holo-States by Solution NMR Spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 9 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e103936 _Citation.Page_last e103936 _Citation.Year 2014 _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 Qian Ye Q. . . 25014 1 2 Yunfei Hu Y. . . 25014 1 3 Changwen Jin C. . . 25014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25014 _Assembly.ID 1 _Assembly.Name 'holo YqcA' _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 YqcA 1 $entity A . yes native no no . . . 25014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YqcA _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 ; MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 18154 . entity . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 2 no BMRB 19151 . entity . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 25014 1 3 no BMRB 19152 . holo_YqcA . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 4 no BMRB 25013 . YqcA . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 5 no PDB 2M6R . Apo_yqca . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 25014 1 6 no PDB 2M6S . Holo_yqca . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 25014 1 7 no DBJ BAB37073 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 8 no DBJ BAE76862 . "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 9 no DBJ BAG78574 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 25014 1 10 no DBJ BAI27051 . "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 25014 1 11 no DBJ BAI32080 . "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 12 no EMBL CAP77223 . "Uncharacterized protein yqcA [Escherichia coli LF82]" . . . . . 100.00 149 97.32 98.66 1.48e-101 . . . . 25014 1 13 no EMBL CAQ33114 . "predicted flavoprotein [Escherichia coli BL21(DE3)]" . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 25014 1 14 no EMBL CAQ99718 . "putative flavoprotein [Escherichia coli IAI1]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 25014 1 15 no EMBL CAR04300 . "putative flavoprotein [Escherichia coli S88]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 25014 1 16 no EMBL CAR09403 . "putative flavoprotein [Escherichia coli ED1a]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 25014 1 17 no GB AAB40440 . "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45107; ORF_f150 [Escherichia coli str. K-12 substr" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 18 no GB AAC75832 . "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 19 no GB AAG57904 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 20 no GB AAN44291 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 21 no GB AAN81803 . "Hypothetical protein yqcA [Escherichia coli CFT073]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 25014 1 22 no REF NP_311677 . "flavodoxin [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 23 no REF NP_417270 . "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 24 no REF NP_708584 . "flavodoxin [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 25 no REF WP_000229279 . "flavodoxin [Escherichia coli]" . . . . . 100.00 149 97.32 97.99 8.90e-101 . . . . 25014 1 26 no REF WP_000807726 . "flavodoxin [Escherichia coli]" . . . . . 100.00 149 99.33 100.00 1.45e-102 . . . . 25014 1 27 no SP P65367 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 28 no SP P65368 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 1 29 no SP P65369 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 25014 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 . 25014 1 2 2 ALA . 25014 1 3 3 GLU . 25014 1 4 4 ILE . 25014 1 5 5 GLY . 25014 1 6 6 ILE . 25014 1 7 7 PHE . 25014 1 8 8 VAL . 25014 1 9 9 GLY . 25014 1 10 10 THR . 25014 1 11 11 MET . 25014 1 12 12 TYR . 25014 1 13 13 GLY . 25014 1 14 14 ASN . 25014 1 15 15 SER . 25014 1 16 16 LEU . 25014 1 17 17 LEU . 25014 1 18 18 VAL . 25014 1 19 19 ALA . 25014 1 20 20 GLU . 25014 1 21 21 GLU . 25014 1 22 22 ALA . 25014 1 23 23 GLU . 25014 1 24 24 ALA . 25014 1 25 25 ILE . 25014 1 26 26 LEU . 25014 1 27 27 THR . 25014 1 28 28 ALA . 25014 1 29 29 GLN . 25014 1 30 30 GLY . 25014 1 31 31 HIS . 25014 1 32 32 LYS . 25014 1 33 33 ALA . 25014 1 34 34 THR . 25014 1 35 35 VAL . 25014 1 36 36 PHE . 25014 1 37 37 GLU . 25014 1 38 38 ASP . 25014 1 39 39 PRO . 25014 1 40 40 GLU . 25014 1 41 41 LEU . 25014 1 42 42 SER . 25014 1 43 43 ASP . 25014 1 44 44 TRP . 25014 1 45 45 LEU . 25014 1 46 46 PRO . 25014 1 47 47 TYR . 25014 1 48 48 GLN . 25014 1 49 49 ASP . 25014 1 50 50 LYS . 25014 1 51 51 TYR . 25014 1 52 52 VAL . 25014 1 53 53 LEU . 25014 1 54 54 VAL . 25014 1 55 55 VAL . 25014 1 56 56 THR . 25014 1 57 57 SER . 25014 1 58 58 THR . 25014 1 59 59 THR . 25014 1 60 60 GLY . 25014 1 61 61 GLN . 25014 1 62 62 GLY . 25014 1 63 63 ASP . 25014 1 64 64 LEU . 25014 1 65 65 PRO . 25014 1 66 66 ASP . 25014 1 67 67 SER . 25014 1 68 68 ILE . 25014 1 69 69 VAL . 25014 1 70 70 PRO . 25014 1 71 71 LEU . 25014 1 72 72 PHE . 25014 1 73 73 GLN . 25014 1 74 74 GLY . 25014 1 75 75 ILE . 25014 1 76 76 LYS . 25014 1 77 77 ASP . 25014 1 78 78 SER . 25014 1 79 79 LEU . 25014 1 80 80 GLY . 25014 1 81 81 PHE . 25014 1 82 82 GLN . 25014 1 83 83 PRO . 25014 1 84 84 ASN . 25014 1 85 85 LEU . 25014 1 86 86 ARG . 25014 1 87 87 TYR . 25014 1 88 88 GLY . 25014 1 89 89 VAL . 25014 1 90 90 ILE . 25014 1 91 91 ALA . 25014 1 92 92 LEU . 25014 1 93 93 GLY . 25014 1 94 94 ASP . 25014 1 95 95 SER . 25014 1 96 96 SER . 25014 1 97 97 TYR . 25014 1 98 98 VAL . 25014 1 99 99 ASN . 25014 1 100 100 PHE . 25014 1 101 101 CYS . 25014 1 102 102 ASN . 25014 1 103 103 GLY . 25014 1 104 104 GLY . 25014 1 105 105 LYS . 25014 1 106 106 GLN . 25014 1 107 107 PHE . 25014 1 108 108 ASP . 25014 1 109 109 ALA . 25014 1 110 110 LEU . 25014 1 111 111 LEU . 25014 1 112 112 GLN . 25014 1 113 113 GLU . 25014 1 114 114 GLN . 25014 1 115 115 SER . 25014 1 116 116 ALA . 25014 1 117 117 GLN . 25014 1 118 118 ARG . 25014 1 119 119 VAL . 25014 1 120 120 GLY . 25014 1 121 121 GLU . 25014 1 122 122 MET . 25014 1 123 123 LEU . 25014 1 124 124 LEU . 25014 1 125 125 ILE . 25014 1 126 126 ASP . 25014 1 127 127 ALA . 25014 1 128 128 SER . 25014 1 129 129 GLU . 25014 1 130 130 ASN . 25014 1 131 131 PRO . 25014 1 132 132 GLU . 25014 1 133 133 PRO . 25014 1 134 134 GLU . 25014 1 135 135 THR . 25014 1 136 136 GLU . 25014 1 137 137 SER . 25014 1 138 138 ASN . 25014 1 139 139 PRO . 25014 1 140 140 TRP . 25014 1 141 141 VAL . 25014 1 142 142 GLU . 25014 1 143 143 GLN . 25014 1 144 144 TRP . 25014 1 145 145 GLY . 25014 1 146 146 THR . 25014 1 147 147 LEU . 25014 1 148 148 LEU . 25014 1 149 149 SER . 25014 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 25014 1 . ALA 2 2 25014 1 . GLU 3 3 25014 1 . ILE 4 4 25014 1 . GLY 5 5 25014 1 . ILE 6 6 25014 1 . PHE 7 7 25014 1 . VAL 8 8 25014 1 . GLY 9 9 25014 1 . THR 10 10 25014 1 . MET 11 11 25014 1 . TYR 12 12 25014 1 . GLY 13 13 25014 1 . ASN 14 14 25014 1 . SER 15 15 25014 1 . LEU 16 16 25014 1 . LEU 17 17 25014 1 . VAL 18 18 25014 1 . ALA 19 19 25014 1 . GLU 20 20 25014 1 . GLU 21 21 25014 1 . ALA 22 22 25014 1 . GLU 23 23 25014 1 . ALA 24 24 25014 1 . ILE 25 25 25014 1 . LEU 26 26 25014 1 . THR 27 27 25014 1 . ALA 28 28 25014 1 . GLN 29 29 25014 1 . GLY 30 30 25014 1 . HIS 31 31 25014 1 . LYS 32 32 25014 1 . ALA 33 33 25014 1 . THR 34 34 25014 1 . VAL 35 35 25014 1 . PHE 36 36 25014 1 . GLU 37 37 25014 1 . ASP 38 38 25014 1 . PRO 39 39 25014 1 . GLU 40 40 25014 1 . LEU 41 41 25014 1 . SER 42 42 25014 1 . ASP 43 43 25014 1 . TRP 44 44 25014 1 . LEU 45 45 25014 1 . PRO 46 46 25014 1 . TYR 47 47 25014 1 . GLN 48 48 25014 1 . ASP 49 49 25014 1 . LYS 50 50 25014 1 . TYR 51 51 25014 1 . VAL 52 52 25014 1 . LEU 53 53 25014 1 . VAL 54 54 25014 1 . VAL 55 55 25014 1 . THR 56 56 25014 1 . SER 57 57 25014 1 . THR 58 58 25014 1 . THR 59 59 25014 1 . GLY 60 60 25014 1 . GLN 61 61 25014 1 . GLY 62 62 25014 1 . ASP 63 63 25014 1 . LEU 64 64 25014 1 . PRO 65 65 25014 1 . ASP 66 66 25014 1 . SER 67 67 25014 1 . ILE 68 68 25014 1 . VAL 69 69 25014 1 . PRO 70 70 25014 1 . LEU 71 71 25014 1 . PHE 72 72 25014 1 . GLN 73 73 25014 1 . GLY 74 74 25014 1 . ILE 75 75 25014 1 . LYS 76 76 25014 1 . ASP 77 77 25014 1 . SER 78 78 25014 1 . LEU 79 79 25014 1 . GLY 80 80 25014 1 . PHE 81 81 25014 1 . GLN 82 82 25014 1 . PRO 83 83 25014 1 . ASN 84 84 25014 1 . LEU 85 85 25014 1 . ARG 86 86 25014 1 . TYR 87 87 25014 1 . GLY 88 88 25014 1 . VAL 89 89 25014 1 . ILE 90 90 25014 1 . ALA 91 91 25014 1 . LEU 92 92 25014 1 . GLY 93 93 25014 1 . ASP 94 94 25014 1 . SER 95 95 25014 1 . SER 96 96 25014 1 . TYR 97 97 25014 1 . VAL 98 98 25014 1 . ASN 99 99 25014 1 . PHE 100 100 25014 1 . CYS 101 101 25014 1 . ASN 102 102 25014 1 . GLY 103 103 25014 1 . GLY 104 104 25014 1 . LYS 105 105 25014 1 . GLN 106 106 25014 1 . PHE 107 107 25014 1 . ASP 108 108 25014 1 . ALA 109 109 25014 1 . LEU 110 110 25014 1 . LEU 111 111 25014 1 . GLN 112 112 25014 1 . GLU 113 113 25014 1 . GLN 114 114 25014 1 . SER 115 115 25014 1 . ALA 116 116 25014 1 . GLN 117 117 25014 1 . ARG 118 118 25014 1 . VAL 119 119 25014 1 . GLY 120 120 25014 1 . GLU 121 121 25014 1 . MET 122 122 25014 1 . LEU 123 123 25014 1 . LEU 124 124 25014 1 . ILE 125 125 25014 1 . ASP 126 126 25014 1 . ALA 127 127 25014 1 . SER 128 128 25014 1 . GLU 129 129 25014 1 . ASN 130 130 25014 1 . PRO 131 131 25014 1 . GLU 132 132 25014 1 . PRO 133 133 25014 1 . GLU 134 134 25014 1 . THR 135 135 25014 1 . GLU 136 136 25014 1 . SER 137 137 25014 1 . ASN 138 138 25014 1 . PRO 139 139 25014 1 . TRP 140 140 25014 1 . VAL 141 141 25014 1 . GLU 142 142 25014 1 . GLN 143 143 25014 1 . TRP 144 144 25014 1 . GLY 145 145 25014 1 . THR 146 146 25014 1 . LEU 147 147 25014 1 . LEU 148 148 25014 1 . SER 149 149 25014 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 25014 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25014 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 25014 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . pET21a(+) . . . . . . 25014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25014 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YqcA [U-15N] . . 1 $entity . . 1 . . mM . . . . 25014 1 2 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 25014 1 3 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 25014 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 25014 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25014 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25014 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 25014 _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 temperature 298 . K 25014 1 pH 7.0 . pH 25014 1 pressure 1 . atm 25014 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25014 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25014 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25014 1 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 25014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25014 _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 . 800 . . . 25014 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 25014 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25014 1 2 'T1 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25014 1 3 'T2 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25014 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 25014 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 25014 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 0.833327711 0.00239115953 . . 1 3 GLU N 1 3 GLU H 25014 1 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.831850171 0.00716233207 . . 1 4 ILE N 1 4 ILE H 25014 1 3 . 1 1 5 5 GLY N N 15 . 1 1 5 5 GLY H H 1 0.860794306 0.00370112062 . . 1 5 GLY N 1 5 GLY H 25014 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.856304348 0.00954124331 . . 1 6 ILE N 1 6 ILE H 25014 1 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.85609591 0.00656577945 . . 1 7 PHE N 1 7 PHE H 25014 1 6 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.835278213 0.00113716722 . . 1 8 VAL N 1 8 VAL H 25014 1 7 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.848262787 0.00759351254 . . 1 9 GLY N 1 9 GLY H 25014 1 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.830941916 0.00515896082 . . 1 10 THR N 1 10 THR H 25014 1 9 . 1 1 11 11 MET N N 15 . 1 1 11 11 MET H H 1 0.892198861 0.00958058238 . . 1 11 MET N 1 11 MET H 25014 1 10 . 1 1 12 12 TYR N N 15 . 1 1 12 12 TYR H H 1 0.82763052 0.00376152969 . . 1 12 TYR N 1 12 TYR H 25014 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.832662225 0.00166994322 . . 1 13 GLY N 1 13 GLY H 25014 1 12 . 1 1 14 14 ASN N N 15 . 1 1 14 14 ASN H H 1 0.889923275 0.0154962838 . . 1 14 ASN N 1 14 ASN H 25014 1 13 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.864802003 0.0104734302 . . 1 15 SER N 1 15 SER H 25014 1 14 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.8560884 0.00829026103 . . 1 16 LEU N 1 16 LEU H 25014 1 15 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.86055243 0.017090708 . . 1 17 LEU N 1 17 LEU H 25014 1 16 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.850890756 0.0103407502 . . 1 18 VAL N 1 18 VAL H 25014 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.857060671 0.0041718483 . . 1 19 ALA N 1 19 ALA H 25014 1 18 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.869123995 0.0030066669 . . 1 20 GLU N 1 20 GLU H 25014 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.85724932 0.006879956 . . 1 21 GLU N 1 21 GLU H 25014 1 20 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.842139959 0.0103459954 . . 1 22 ALA N 1 22 ALA H 25014 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.853522062 0.0103781819 . . 1 23 GLU N 1 23 GLU H 25014 1 22 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.852169693 0.0179173052 . . 1 24 ALA N 1 24 ALA H 25014 1 23 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.838194311 0.0132998824 . . 1 25 ILE N 1 25 ILE H 25014 1 24 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.836632848 0.000130444765 . . 1 26 LEU N 1 26 LEU H 25014 1 25 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.860885799 0.0134378076 . . 1 27 THR N 1 27 THR H 25014 1 26 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.871257603 0.00190404058 . . 1 28 ALA N 1 28 ALA H 25014 1 27 . 1 1 29 29 GLN N N 15 . 1 1 29 29 GLN H H 1 0.835141122 0.0113226473 . . 1 29 GLN N 1 29 GLN H 25014 1 28 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.868392527 0.00381734967 . . 1 30 GLY N 1 30 GLY H 25014 1 29 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.885106325 0.0220134556 . . 1 31 HIS N 1 31 HIS H 25014 1 30 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.843907893 0.00677430583 . . 1 32 LYS N 1 32 LYS H 25014 1 31 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.822541654 0.00782737136 . . 1 33 ALA N 1 33 ALA H 25014 1 32 . 1 1 34 34 THR N N 15 . 1 1 34 34 THR H H 1 0.846379936 0.000292301178 . . 1 34 THR N 1 34 THR H 25014 1 33 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.824051619 0.00583547354 . . 1 35 VAL N 1 35 VAL H 25014 1 34 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.855881333 0.00349253416 . . 1 36 PHE N 1 36 PHE H 25014 1 35 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.807395279 0.00291398168 . . 1 37 GLU N 1 37 GLU H 25014 1 36 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.828676105 0.00220471621 . . 1 38 ASP N 1 38 ASP H 25014 1 37 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.820659041 0.0111503601 . . 1 40 GLU N 1 40 GLU H 25014 1 38 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.827594697 0.00613519549 . . 1 41 LEU N 1 41 LEU H 25014 1 39 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.829318166 0.00677278638 . . 1 42 SER N 1 42 SER H 25014 1 40 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.864547908 0.0127986372 . . 1 43 ASP N 1 43 ASP H 25014 1 41 . 1 1 44 44 TRP N N 15 . 1 1 44 44 TRP H H 1 0.853217304 0.00218361616 . . 1 44 TRP N 1 44 TRP H 25014 1 42 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.843797147 0.00709578395 . . 1 47 TYR N 1 47 TYR H 25014 1 43 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.83333832 0.000966221152 . . 1 49 ASP N 1 49 ASP H 25014 1 44 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.807112694 0.0128856003 . . 1 50 LYS N 1 50 LYS H 25014 1 45 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.852827728 0.00536525249 . . 1 51 TYR N 1 51 TYR H 25014 1 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.845317721 0.00415071845 . . 1 52 VAL N 1 52 VAL H 25014 1 47 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.851541162 0.00482320786 . . 1 53 LEU N 1 53 LEU H 25014 1 48 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.857894719 0.000975847302 . . 1 54 VAL N 1 54 VAL H 25014 1 49 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.861069977 0.011644423 . . 1 55 VAL N 1 55 VAL H 25014 1 50 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.857119977 0.0101341903 . . 1 56 THR N 1 56 THR H 25014 1 51 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.866780102 0.0199130476 . . 1 57 SER N 1 57 SER H 25014 1 52 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.824996829 0.00957730412 . . 1 58 THR N 1 58 THR H 25014 1 53 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.848776817 0.0099196434 . . 1 59 THR N 1 59 THR H 25014 1 54 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.791805148 0.00986757874 . . 1 60 GLY N 1 60 GLY H 25014 1 55 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.756529093 0.019298166 . . 1 62 GLY N 1 62 GLY H 25014 1 56 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.671700835 0.00706464052 . . 1 63 ASP N 1 63 ASP H 25014 1 57 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.803084314 0.0039434731 . . 1 64 LEU N 1 64 LEU H 25014 1 58 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.807957232 0.00661221147 . . 1 66 ASP N 1 66 ASP H 25014 1 59 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.836527944 0.00149020553 . . 1 67 SER N 1 67 SER H 25014 1 60 . 1 1 68 68 ILE N N 15 . 1 1 68 68 ILE H H 1 0.85418725 0.0100921392 . . 1 68 ILE N 1 68 ILE H 25014 1 61 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.818690717 0.00278064609 . . 1 69 VAL N 1 69 VAL H 25014 1 62 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.82883817 0.00661000609 . . 1 71 LEU N 1 71 LEU H 25014 1 63 . 1 1 72 72 PHE N N 15 . 1 1 72 72 PHE H H 1 0.847411394 0.00697973371 . . 1 72 PHE N 1 72 PHE H 25014 1 64 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.844298184 0.0101163387 . . 1 73 GLN N 1 73 GLN H 25014 1 65 . 1 1 74 74 GLY N N 15 . 1 1 74 74 GLY H H 1 0.849370539 0.0107749104 . . 1 74 GLY N 1 74 GLY H 25014 1 66 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.844465017 0.00658136606 . . 1 75 ILE N 1 75 ILE H 25014 1 67 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.858997881 0.00710841967 . . 1 76 LYS N 1 76 LYS H 25014 1 68 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.827744961 0.00277349353 . . 1 77 ASP N 1 77 ASP H 25014 1 69 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.815575898 0.00868448615 . . 1 78 SER N 1 78 SER H 25014 1 70 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.809336364 0.00203806162 . . 1 79 LEU N 1 79 LEU H 25014 1 71 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.505172908 0.000378966331 . . 1 80 GLY N 1 80 GLY H 25014 1 72 . 1 1 81 81 PHE N N 15 . 1 1 81 81 PHE H H 1 0.789392531 0.0028424859 . . 1 81 PHE N 1 81 PHE H 25014 1 73 . 1 1 82 82 GLN N N 15 . 1 1 82 82 GLN H H 1 0.831955969 0.00307166576 . . 1 82 GLN N 1 82 GLN H 25014 1 74 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.825935423 0.00789120793 . . 1 84 ASN N 1 84 ASN H 25014 1 75 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.840105116 0.0107793808 . . 1 85 LEU N 1 85 LEU H 25014 1 76 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG H H 1 0.841214597 0.00100311637 . . 1 86 ARG N 1 86 ARG H 25014 1 77 . 1 1 87 87 TYR N N 15 . 1 1 87 87 TYR H H 1 0.860594273 0.00314924121 . . 1 87 TYR N 1 87 TYR H 25014 1 78 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.856163859 0.00769478083 . . 1 88 GLY N 1 88 GLY H 25014 1 79 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 0.840143204 0.00790119171 . . 1 89 VAL N 1 89 VAL H 25014 1 80 . 1 1 90 90 ILE N N 15 . 1 1 90 90 ILE H H 1 0.846300662 0.0127440691 . . 1 90 ILE N 1 90 ILE H 25014 1 81 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.871484816 0.00980219245 . . 1 91 ALA N 1 91 ALA H 25014 1 82 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.855618179 0.00611066818 . . 1 92 LEU N 1 92 LEU H 25014 1 83 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.841130078 0.00772532821 . . 1 93 GLY N 1 93 GLY H 25014 1 84 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.848049343 0.0210488439 . . 1 94 ASP N 1 94 ASP H 25014 1 85 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.863466024 0.0150217423 . . 1 95 SER N 1 95 SER H 25014 1 86 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.856347501 0.00287923217 . . 1 96 SER N 1 96 SER H 25014 1 87 . 1 1 97 97 TYR N N 15 . 1 1 97 97 TYR H H 1 0.858470738 0.00377690792 . . 1 97 TYR N 1 97 TYR H 25014 1 88 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.774847746 0.010376364 . . 1 98 VAL N 1 98 VAL H 25014 1 89 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.815159917 0.00651913881 . . 1 99 ASN N 1 99 ASN H 25014 1 90 . 1 1 100 100 PHE N N 15 . 1 1 100 100 PHE H H 1 0.810403883 0.00965881348 . . 1 100 PHE N 1 100 PHE H 25014 1 91 . 1 1 101 101 CYS N N 15 . 1 1 101 101 CYS H H 1 0.852372766 0.00575059652 . . 1 101 CYS N 1 101 CYS H 25014 1 92 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.827002823 0.00694221212 . . 1 102 ASN N 1 102 ASN H 25014 1 93 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.845271111 0.0157187879 . . 1 103 GLY N 1 103 GLY H 25014 1 94 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.826389074 0.00987279415 . . 1 104 GLY N 1 104 GLY H 25014 1 95 . 1 1 105 105 LYS N N 15 . 1 1 105 105 LYS H H 1 0.855663002 0.0175055563 . . 1 105 LYS N 1 105 LYS H 25014 1 96 . 1 1 106 106 GLN N N 15 . 1 1 106 106 GLN H H 1 0.837676585 0.0112141371 . . 1 106 GLN N 1 106 GLN H 25014 1 97 . 1 1 107 107 PHE N N 15 . 1 1 107 107 PHE H H 1 0.843575418 0.00350183249 . . 1 107 PHE N 1 107 PHE H 25014 1 98 . 1 1 108 108 ASP N N 15 . 1 1 108 108 ASP H H 1 0.844994307 0.00830873847 . . 1 108 ASP N 1 108 ASP H 25014 1 99 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.842352867 0.00633776188 . . 1 109 ALA N 1 109 ALA H 25014 1 100 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.870247185 0.00933849812 . . 1 110 LEU N 1 110 LEU H 25014 1 101 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.86833322 0.00584360957 . . 1 111 LEU N 1 111 LEU H 25014 1 102 . 1 1 112 112 GLN N N 15 . 1 1 112 112 GLN H H 1 0.840131462 0.0019389987 . . 1 112 GLN N 1 112 GLN H 25014 1 103 . 1 1 113 113 GLU N N 15 . 1 1 113 113 GLU H H 1 0.844664872 0.0113742054 . . 1 113 GLU N 1 113 GLU H 25014 1 104 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.83264035 0.00325396657 . . 1 114 GLN N 1 114 GLN H 25014 1 105 . 1 1 115 115 SER N N 15 . 1 1 115 115 SER H H 1 0.831507206 0.0049520731 . . 1 115 SER N 1 115 SER H 25014 1 106 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.847883344 0.0117895901 . . 1 116 ALA N 1 116 ALA H 25014 1 107 . 1 1 117 117 GLN N N 15 . 1 1 117 117 GLN H H 1 0.830725551 0.00140658021 . . 1 117 GLN N 1 117 GLN H 25014 1 108 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.845245957 0.000322043896 . . 1 118 ARG N 1 118 ARG H 25014 1 109 . 1 1 119 119 VAL N N 15 . 1 1 119 119 VAL H H 1 0.840806544 0.00976005197 . . 1 119 VAL N 1 119 VAL H 25014 1 110 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.841956139 0.00621443987 . . 1 120 GLY N 1 120 GLY H 25014 1 111 . 1 1 121 121 GLU N N 15 . 1 1 121 121 GLU H H 1 0.778963983 0.0078638196 . . 1 121 GLU N 1 121 GLU H 25014 1 112 . 1 1 122 122 MET N N 15 . 1 1 122 122 MET H H 1 0.787654459 0.00393852592 . . 1 122 MET N 1 122 MET H 25014 1 113 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.831258237 0.00559103489 . . 1 123 LEU N 1 123 LEU H 25014 1 114 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.835832655 0.0102936625 . . 1 124 LEU N 1 124 LEU H 25014 1 115 . 1 1 125 125 ILE N N 15 . 1 1 125 125 ILE H H 1 0.825249314 0.0117252171 . . 1 125 ILE N 1 125 ILE H 25014 1 116 . 1 1 126 126 ASP N N 15 . 1 1 126 126 ASP H H 1 0.852132976 0.00811260939 . . 1 126 ASP N 1 126 ASP H 25014 1 117 . 1 1 127 127 ALA N N 15 . 1 1 127 127 ALA H H 1 0.860776603 0.0145286024 . . 1 127 ALA N 1 127 ALA H 25014 1 118 . 1 1 128 128 SER N N 15 . 1 1 128 128 SER H H 1 0.838597894 0.00210270286 . . 1 128 SER N 1 128 SER H 25014 1 119 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.802724838 0.00464233756 . . 1 129 GLU N 1 129 GLU H 25014 1 120 . 1 1 130 130 ASN N N 15 . 1 1 130 130 ASN H H 1 0.786196232 0.00532260537 . . 1 130 ASN N 1 130 ASN H 25014 1 121 . 1 1 132 132 GLU N N 15 . 1 1 132 132 GLU H H 1 0.808621287 0.00532081723 . . 1 132 GLU N 1 132 GLU H 25014 1 122 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.845891178 0.00457781553 . . 1 134 GLU N 1 134 GLU H 25014 1 123 . 1 1 135 135 THR N N 15 . 1 1 135 135 THR H H 1 0.852107763 0.0113078058 . . 1 135 THR N 1 135 THR H 25014 1 124 . 1 1 136 136 GLU N N 15 . 1 1 136 136 GLU H H 1 0.818351686 0.0019364357 . . 1 136 GLU N 1 136 GLU H 25014 1 125 . 1 1 137 137 SER N N 15 . 1 1 137 137 SER H H 1 0.84385401 0.00895005465 . . 1 137 SER N 1 137 SER H 25014 1 126 . 1 1 138 138 ASN N N 15 . 1 1 138 138 ASN H H 1 0.848718762 0.00621685386 . . 1 138 ASN N 1 138 ASN H 25014 1 127 . 1 1 140 140 TRP N N 15 . 1 1 140 140 TRP H H 1 0.84658426 0.0048891902 . . 1 140 TRP N 1 140 TRP H 25014 1 128 . 1 1 141 141 VAL N N 15 . 1 1 141 141 VAL H H 1 0.855640531 0.0121837258 . . 1 141 VAL N 1 141 VAL H 25014 1 129 . 1 1 142 142 GLU N N 15 . 1 1 142 142 GLU H H 1 0.854003072 0.0103906989 . . 1 142 GLU N 1 142 GLU H 25014 1 130 . 1 1 143 143 GLN N N 15 . 1 1 143 143 GLN H H 1 0.837885797 0.00133368373 . . 1 143 GLN N 1 143 GLN H 25014 1 131 . 1 1 144 144 TRP N N 15 . 1 1 144 144 TRP H H 1 0.860841811 0.00611245632 . . 1 144 TRP N 1 144 TRP H 25014 1 132 . 1 1 145 145 GLY N N 15 . 1 1 145 145 GLY H H 1 0.870272994 0.0025947094 . . 1 145 GLY N 1 145 GLY H 25014 1 133 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.845673025 0.00762602687 . . 1 147 LEU N 1 147 LEU H 25014 1 134 . 1 1 148 148 LEU N N 15 . 1 1 148 148 LEU H H 1 0.795175374 0.00181013346 . . 1 148 LEU N 1 148 LEU H 25014 1 135 . 1 1 149 149 SER N N 15 . 1 1 149 149 SER H H 1 0.362829357 0.000226557255 . . 1 149 SER N 1 149 SER H 25014 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 25014 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800.13 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 25014 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU N N 15 1.0225592 0.024975504 . 1 3 N N 25014 1 2 . 1 1 4 4 ILE N N 15 1.0143257 0.019455687 . 1 4 N N 25014 1 3 . 1 1 5 5 GLY N N 15 1.123378 0.011505453 . 1 5 N N 25014 1 4 . 1 1 6 6 ILE N N 15 1.0463786 0.015970576 . 1 6 N N 25014 1 5 . 1 1 7 7 PHE N N 15 1.0556471 0.010740404 . 1 7 N N 25014 1 6 . 1 1 8 8 VAL N N 15 1.0187985 0.01667882 . 1 8 N N 25014 1 7 . 1 1 9 9 GLY N N 15 1.0791368 0.0156005 . 1 9 N N 25014 1 8 . 1 1 10 10 THR N N 15 1.0484314 0.026355426 . 1 10 N N 25014 1 9 . 1 1 11 11 MET N N 15 1.0725533 0.036095552 . 1 11 N N 25014 1 10 . 1 1 12 12 TYR N N 15 1.0680775 0.02514628 . 1 12 N N 25014 1 11 . 1 1 13 13 GLY N N 15 1.0673777 0.02519552 . 1 13 N N 25014 1 12 . 1 1 14 14 ASN N N 15 1.1315986 0.02539489 . 1 14 N N 25014 1 13 . 1 1 15 15 SER N N 15 1.0397792 0.023361569 . 1 15 N N 25014 1 14 . 1 1 16 16 LEU N N 15 1.0652149 0.020014114 . 1 16 N N 25014 1 15 . 1 1 17 17 LEU N N 15 1.0469816 0.016464207 . 1 17 N N 25014 1 16 . 1 1 18 18 VAL N N 15 1.0467317 0.016483501 . 1 18 N N 25014 1 17 . 1 1 19 19 ALA N N 15 1.0740568 0.013122269 . 1 19 N N 25014 1 18 . 1 1 20 20 GLU N N 15 1.0071303 0.017210925 . 1 20 N N 25014 1 19 . 1 1 21 21 GLU N N 15 1.0523722 0.021856214 . 1 21 N N 25014 1 20 . 1 1 22 22 ALA N N 15 1.0562281 0.024276281 . 1 22 N N 25014 1 21 . 1 1 23 23 GLU N N 15 1.0268066 0.011011228 . 1 23 N N 25014 1 22 . 1 1 24 24 ALA N N 15 1.0565203 0.015106706 . 1 24 N N 25014 1 23 . 1 1 25 25 ILE N N 15 1.0263412 0.013374536 . 1 25 N N 25014 1 24 . 1 1 26 26 LEU N N 15 1.0653417 0.016577862 . 1 26 N N 25014 1 25 . 1 1 27 27 THR N N 15 1.0659535 0.024794094 . 1 27 N N 25014 1 26 . 1 1 28 28 ALA N N 15 1.0673383 0.018040792 . 1 28 N N 25014 1 27 . 1 1 29 29 GLN N N 15 0.98291479 0.017015428 . 1 29 N N 25014 1 28 . 1 1 30 30 GLY N N 15 1.0190844 0.01785369 . 1 30 N N 25014 1 29 . 1 1 31 31 HIS N N 15 1.0517563 0.015037476 . 1 31 N N 25014 1 30 . 1 1 32 32 LYS N N 15 1.0424618 0.022407505 . 1 32 N N 25014 1 31 . 1 1 33 33 ALA N N 15 0.96864987 0.016246618 . 1 33 N N 25014 1 32 . 1 1 34 34 THR N N 15 1.0344428 0.019662029 . 1 34 N N 25014 1 33 . 1 1 35 35 VAL N N 15 0.99247826 0.017065732 . 1 35 N N 25014 1 34 . 1 1 36 36 PHE N N 15 1.0390122 0.012684838 . 1 36 N N 25014 1 35 . 1 1 37 37 GLU N N 15 0.96981302 0.011374768 . 1 37 N N 25014 1 36 . 1 1 38 38 ASP N N 15 0.95252678 0.037702044 . 1 38 N N 25014 1 37 . 1 1 40 40 GLU N N 15 0.96967333 0.012513996 . 1 40 N N 25014 1 38 . 1 1 41 41 LEU N N 15 1.0358304 0.011539447 . 1 41 N N 25014 1 39 . 1 1 42 42 SER N N 15 1.0377668 0.015314643 . 1 42 N N 25014 1 40 . 1 1 43 43 ASP N N 15 1.0737375 0.011345537 . 1 43 N N 25014 1 41 . 1 1 44 44 TRP N N 15 1.0185731 0.014509285 . 1 44 N N 25014 1 42 . 1 1 47 47 TYR N N 15 1.0293621 0.016272468 . 1 47 N N 25014 1 43 . 1 1 48 48 GLN N N 15 1.1042306 0.012457994 . 1 48 N N 25014 1 44 . 1 1 49 49 ASP N N 15 1.1011939 0.01600641 . 1 49 N N 25014 1 45 . 1 1 50 50 LYS N N 15 1.0494154 0.017572989 . 1 50 N N 25014 1 46 . 1 1 51 51 TYR N N 15 1.066101 0.020030471 . 1 51 N N 25014 1 47 . 1 1 52 52 VAL N N 15 1.0553412 0.01515805 . 1 52 N N 25014 1 48 . 1 1 53 53 LEU N N 15 1.0784099 0.012755781 . 1 53 N N 25014 1 49 . 1 1 54 54 VAL N N 15 1.0405421 0.018497149 . 1 54 N N 25014 1 50 . 1 1 55 55 VAL N N 15 1.0451038 0.00951963 . 1 55 N N 25014 1 51 . 1 1 56 56 THR N N 15 1.1102432 0.014836574 . 1 56 N N 25014 1 52 . 1 1 57 57 SER N N 15 1.172525 0.022900407 . 1 57 N N 25014 1 53 . 1 1 58 58 THR N N 15 1.0573771 0.041018252 . 1 58 N N 25014 1 54 . 1 1 59 59 THR N N 15 1.0638295 0.023672084 . 1 59 N N 25014 1 55 . 1 1 60 60 GLY N N 15 1.1468442 0.024239261 . 1 60 N N 25014 1 56 . 1 1 62 62 GLY N N 15 1.0452119 0.020211091 . 1 62 N N 25014 1 57 . 1 1 63 63 ASP N N 15 1.1882568 0.050850348 . 1 63 N N 25014 1 58 . 1 1 64 64 LEU N N 15 0.99607621 0.010796106 . 1 64 N N 25014 1 59 . 1 1 66 66 ASP N N 15 0.98364171 0.017582505 . 1 66 N N 25014 1 60 . 1 1 67 67 SER N N 15 1.0691639 0.02078892 . 1 67 N N 25014 1 61 . 1 1 68 68 ILE N N 15 1.1079246 0.012818034 . 1 68 N N 25014 1 62 . 1 1 69 69 VAL N N 15 1.0585489 0.011165785 . 1 69 N N 25014 1 63 . 1 1 71 71 LEU N N 15 1.0209784 0.008469037 . 1 71 N N 25014 1 64 . 1 1 72 72 PHE N N 15 1.0577908 0.0093416239 . 1 72 N N 25014 1 65 . 1 1 73 73 GLN N N 15 1.0645034 0.0063270577 . 1 73 N N 25014 1 66 . 1 1 74 74 GLY N N 15 1.0418737 0.0068705534 . 1 74 N N 25014 1 67 . 1 1 75 75 ILE N N 15 1.0610784 0.0049184246 . 1 75 N N 25014 1 68 . 1 1 76 76 LYS N N 15 1.0646746 0.0069760869 . 1 76 N N 25014 1 69 . 1 1 77 77 ASP N N 15 1.0327122 0.0054348084 . 1 77 N N 25014 1 70 . 1 1 78 78 SER N N 15 0.97397085 0.014070177 . 1 78 N N 25014 1 71 . 1 1 79 79 LEU N N 15 0.93453921 0.0090672086 . 1 79 N N 25014 1 72 . 1 1 80 80 GLY N N 15 0.97636923 0.0099416083 . 1 80 N N 25014 1 73 . 1 1 81 81 PHE N N 15 1.1199393 0.015363687 . 1 81 N N 25014 1 74 . 1 1 82 82 GLN N N 15 0.96065633 0.014443985 . 1 82 N N 25014 1 75 . 1 1 84 84 ASN N N 15 1.0636081 0.029608764 . 1 84 N N 25014 1 76 . 1 1 85 85 LEU N N 15 1.1193509 0.016032698 . 1 85 N N 25014 1 77 . 1 1 86 86 ARG N N 15 1.1052292 0.019649752 . 1 86 N N 25014 1 78 . 1 1 87 87 TYR N N 15 1.1283506 0.015946453 . 1 87 N N 25014 1 79 . 1 1 88 88 GLY N N 15 1.0970705 0.013962955 . 1 88 N N 25014 1 80 . 1 1 89 89 VAL N N 15 1.0951215 0.022897179 . 1 89 N N 25014 1 81 . 1 1 90 90 ILE N N 15 1.0277686 0.013776336 . 1 90 N N 25014 1 82 . 1 1 91 91 ALA N N 15 1.1091249 0.013202117 . 1 91 N N 25014 1 83 . 1 1 92 92 LEU N N 15 1.0357138 0.031943583 . 1 92 N N 25014 1 84 . 1 1 93 93 GLY N N 15 1.0643998 0.036925522 . 1 93 N N 25014 1 85 . 1 1 94 94 ASP N N 15 1.1129999 0.038249107 . 1 94 N N 25014 1 86 . 1 1 95 95 SER N N 15 1.1195171 0.048150541 . 1 95 N N 25014 1 87 . 1 1 96 96 SER N N 15 1.2200929 0.049741509 . 1 96 N N 25014 1 88 . 1 1 97 97 TYR N N 15 1.0811876 0.04588599 . 1 97 N N 25014 1 89 . 1 1 98 98 VAL N N 15 1.058371 0.027713332 . 1 98 N N 25014 1 90 . 1 1 99 99 ASN N N 15 1.0786089 0.025503346 . 1 99 N N 25014 1 91 . 1 1 100 100 PHE N N 15 1.1259968 0.044624881 . 1 100 N N 25014 1 92 . 1 1 101 101 CYS N N 15 1.1612774 0.030374874 . 1 101 N N 25014 1 93 . 1 1 102 102 ASN N N 15 1.0549068 0.021865576 . 1 102 N N 25014 1 94 . 1 1 103 103 GLY N N 15 1.0615484 0.023545055 . 1 103 N N 25014 1 95 . 1 1 104 104 GLY N N 15 1.0595312 0.021493557 . 1 104 N N 25014 1 96 . 1 1 105 105 LYS N N 15 1.0974884 0.018703164 . 1 105 N N 25014 1 97 . 1 1 106 106 GLN N N 15 1.0268762 0.016405467 . 1 106 N N 25014 1 98 . 1 1 107 107 PHE N N 15 1.0091683 0.020068202 . 1 107 N N 25014 1 99 . 1 1 108 108 ASP N N 15 1.016489 0.01387817 . 1 108 N N 25014 1 100 . 1 1 109 109 ALA N N 15 1.0580255 0.022160305 . 1 109 N N 25014 1 101 . 1 1 110 110 LEU N N 15 1.0527491 0.0085547201 . 1 110 N N 25014 1 102 . 1 1 111 111 LEU N N 15 1.0196798 0.011675536 . 1 111 N N 25014 1 103 . 1 1 112 112 GLN N N 15 1.0239648 0.011362306 . 1 112 N N 25014 1 104 . 1 1 113 113 GLU N N 15 1.040576 0.0090777221 . 1 113 N N 25014 1 105 . 1 1 114 114 GLN N N 15 0.99186293 0.0099517214 . 1 114 N N 25014 1 106 . 1 1 115 115 SER N N 15 1.0182314 0.017382912 . 1 115 N N 25014 1 107 . 1 1 116 116 ALA N N 15 1.0923569 0.015755753 . 1 116 N N 25014 1 108 . 1 1 117 117 GLN N N 15 1.0302338 0.012585138 . 1 117 N N 25014 1 109 . 1 1 118 118 ARG N N 15 1.0682216 0.018465377 . 1 118 N N 25014 1 110 . 1 1 119 119 VAL N N 15 1.0830844 0.018584357 . 1 119 N N 25014 1 111 . 1 1 120 120 GLY N N 15 1.0052067 0.017446413 . 1 120 N N 25014 1 112 . 1 1 121 121 GLU N N 15 0.93848957 0.018873863 . 1 121 N N 25014 1 113 . 1 1 122 122 MET N N 15 1.0282194 0.015260876 . 1 122 N N 25014 1 114 . 1 1 123 123 LEU N N 15 1.1226613 0.017511189 . 1 123 N N 25014 1 115 . 1 1 124 124 LEU N N 15 1.0400136 0.017159932 . 1 124 N N 25014 1 116 . 1 1 125 125 ILE N N 15 0.99977201 0.021633222 . 1 125 N N 25014 1 117 . 1 1 126 126 ASP N N 15 1.0453032 0.020814074 . 1 126 N N 25014 1 118 . 1 1 127 127 ALA N N 15 1.0938561 0.037200926 . 1 127 N N 25014 1 119 . 1 1 128 128 SER N N 15 1.0936226 0.036767131 . 1 128 N N 25014 1 120 . 1 1 129 129 GLU N N 15 1.0568261 0.023191055 . 1 129 N N 25014 1 121 . 1 1 130 130 ASN N N 15 0.97534996 0.022616982 . 1 130 N N 25014 1 122 . 1 1 132 132 GLU N N 15 1.081654 0.018071897 . 1 132 N N 25014 1 123 . 1 1 134 134 GLU N N 15 1.1211816 0.020010313 . 1 134 N N 25014 1 124 . 1 1 135 135 THR N N 15 1.149429 0.025095381 . 1 135 N N 25014 1 125 . 1 1 136 136 GLU N N 15 1.1053679 0.024779784 . 1 136 N N 25014 1 126 . 1 1 137 137 SER N N 15 1.0559181 0.02745551 . 1 137 N N 25014 1 127 . 1 1 138 138 ASN N N 15 1.081481 0.023682194 . 1 138 N N 25014 1 128 . 1 1 140 140 TRP N N 15 1.0625615 0.013712941 . 1 140 N N 25014 1 129 . 1 1 141 141 VAL N N 15 1.0640628 0.01455795 . 1 141 N N 25014 1 130 . 1 1 142 142 GLU N N 15 1.0267159 0.013587002 . 1 142 N N 25014 1 131 . 1 1 143 143 GLN N N 15 0.99487151 0.021759453 . 1 143 N N 25014 1 132 . 1 1 144 144 TRP N N 15 1.0618791 0.020175891 . 1 144 N N 25014 1 133 . 1 1 145 145 GLY N N 15 1.0236172 0.021074391 . 1 145 N N 25014 1 134 . 1 1 147 147 LEU N N 15 1.090018 0.021877774 . 1 147 N N 25014 1 135 . 1 1 148 148 LEU N N 15 1.0304583 0.01977139 . 1 148 N N 25014 1 136 . 1 1 149 149 SER N N 15 1.0686356 0.02429291 . 1 149 N N 25014 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 25014 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 800.13 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 25014 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLU N N 15 11.11782 0.036246944 . . . 1 3 GLU N 25014 1 2 . 1 1 4 4 ILE N N 15 11.812065 0.048927414 . . . 1 4 ILE N 25014 1 3 . 1 1 5 5 GLY N N 15 13.376516 0.053603217 . . . 1 5 GLY N 25014 1 4 . 1 1 6 6 ILE N N 15 11.271729 0.07363817 . . . 1 6 ILE N 25014 1 5 . 1 1 7 7 PHE N N 15 10.903034 0.048883816 . . . 1 7 PHE N 25014 1 6 . 1 1 8 8 VAL N N 15 11.977159 0.058714471 . . . 1 8 VAL N 25014 1 7 . 1 1 9 9 GLY N N 15 13.216684 0.049194394 . . . 1 9 GLY N 25014 1 8 . 1 1 10 10 THR N N 15 12.585256 0.047128093 . . . 1 10 THR N 25014 1 9 . 1 1 11 11 MET N N 15 16.386283 0.089097441 . . . 1 11 MET N 25014 1 10 . 1 1 12 12 TYR N N 15 12.223089 0.088105145 . . . 1 12 TYR N 25014 1 11 . 1 1 13 13 GLY N N 15 12.376199 0.070575334 . . . 1 13 GLY N 25014 1 12 . 1 1 14 14 ASN N N 15 15.885095 0.15231082 . . . 1 14 ASN N 25014 1 13 . 1 1 15 15 SER N N 15 13.581376 0.076916344 . . . 1 15 SER N 25014 1 14 . 1 1 16 16 LEU N N 15 14.574188 0.074916202 . . . 1 16 LEU N 25014 1 15 . 1 1 17 17 LEU N N 15 12.995873 0.14442464 . . . 1 17 LEU N 25014 1 16 . 1 1 18 18 VAL N N 15 13.22987 0.043397874 . . . 1 18 VAL N 25014 1 17 . 1 1 19 19 ALA N N 15 12.919441 0.039396687 . . . 1 19 ALA N 25014 1 18 . 1 1 20 20 GLU N N 15 13.764345 0.07320757 . . . 1 20 GLU N 25014 1 19 . 1 1 21 21 GLU N N 15 12.992342 0.050271426 . . . 1 21 GLU N 25014 1 20 . 1 1 22 22 ALA N N 15 12.694615 0.043773421 . . . 1 22 ALA N 25014 1 21 . 1 1 23 23 GLU N N 15 13.66426 0.096790318 . . . 1 23 GLU N 25014 1 22 . 1 1 24 24 ALA N N 15 13.21502 0.14161434 . . . 1 24 ALA N 25014 1 23 . 1 1 25 25 ILE N N 15 12.868689 0.038439561 . . . 1 25 ILE N 25014 1 24 . 1 1 26 26 LEU N N 15 13.740188 0.053376381 . . . 1 26 LEU N 25014 1 25 . 1 1 27 27 THR N N 15 16.372078 0.054078067 . . . 1 27 THR N 25014 1 26 . 1 1 28 28 ALA N N 15 12.961318 0.17362452 . . . 1 28 ALA N 25014 1 27 . 1 1 29 29 GLN N N 15 11.448162 0.066236649 . . . 1 29 GLN N 25014 1 28 . 1 1 30 30 GLY N N 15 12.98057 0.11662822 . . . 1 30 GLY N 25014 1 29 . 1 1 31 31 HIS N N 15 14.243056 0.07617465 . . . 1 31 HIS N 25014 1 30 . 1 1 32 32 LYS N N 15 11.438556 0.056051264 . . . 1 32 LYS N 25014 1 31 . 1 1 33 33 ALA N N 15 12.944294 0.10277707 . . . 1 33 ALA N 25014 1 32 . 1 1 34 34 THR N N 15 11.304905 0.097918283 . . . 1 34 THR N 25014 1 33 . 1 1 35 35 VAL N N 15 10.641215 0.073342852 . . . 1 35 VAL N 25014 1 34 . 1 1 36 36 PHE N N 15 11.202261 0.030913064 . . . 1 36 PHE N 25014 1 35 . 1 1 37 37 GLU N N 15 10.607233 0.034350464 . . . 1 37 GLU N 25014 1 36 . 1 1 38 38 ASP N N 15 13.287165 0.085233996 . . . 1 38 ASP N 25014 1 37 . 1 1 40 40 GLU N N 15 13.128906 0.18328386 . . . 1 40 GLU N 25014 1 38 . 1 1 41 41 LEU N N 15 11.385259 0.064154605 . . . 1 41 LEU N 25014 1 39 . 1 1 42 42 SER N N 15 11.873695 0.17278497 . . . 1 42 SER N 25014 1 40 . 1 1 43 43 ASP N N 15 13.97909 0.14968538 . . . 1 43 ASP N 25014 1 41 . 1 1 44 44 TRP N N 15 13.157401 0.05721997 . . . 1 44 TRP N 25014 1 42 . 1 1 47 47 TYR N N 15 11.504258 0.16057211 . . . 1 47 TYR N 25014 1 43 . 1 1 48 48 GLN N N 15 12.112798 0.18997883 . . . 1 48 GLN N 25014 1 44 . 1 1 49 49 ASP N N 15 11.243072 0.037917485 . . . 1 49 ASP N 25014 1 45 . 1 1 50 50 LYS N N 15 11.009698 0.2312572 . . . 1 50 LYS N 25014 1 46 . 1 1 51 51 TYR N N 15 12.683426 0.048809927 . . . 1 51 TYR N 25014 1 47 . 1 1 52 52 VAL N N 15 11.150948 0.14410432 . . . 1 52 VAL N 25014 1 48 . 1 1 53 53 LEU N N 15 11.177496 0.128794 . . . 1 53 LEU N 25014 1 49 . 1 1 54 54 VAL N N 15 11.58953 0.04183942 . . . 1 54 VAL N 25014 1 50 . 1 1 55 55 VAL N N 15 11.573047 0.044704988 . . . 1 55 VAL N 25014 1 51 . 1 1 56 56 THR N N 15 12.481392 0.094225899 . . . 1 56 THR N 25014 1 52 . 1 1 57 57 SER N N 15 12.438249 0.085038159 . . . 1 57 SER N 25014 1 53 . 1 1 58 58 THR N N 15 13.257471 0.13879703 . . . 1 58 THR N 25014 1 54 . 1 1 59 59 THR N N 15 22.096296 0.19381038 . . . 1 59 THR N 25014 1 55 . 1 1 60 60 GLY N N 15 34.366273 2.0848705 . . . 1 60 GLY N 25014 1 56 . 1 1 62 62 GLY N N 15 20.495394 0.1489333 . . . 1 62 GLY N 25014 1 57 . 1 1 63 63 ASP N N 15 11.576235 0.69660997 . . . 1 63 ASP N 25014 1 58 . 1 1 64 64 LEU N N 15 12.222915 0.030962003 . . . 1 64 LEU N 25014 1 59 . 1 1 66 66 ASP N N 15 11.963693 0.083904059 . . . 1 66 ASP N 25014 1 60 . 1 1 67 67 SER N N 15 12.176922 0.1978274 . . . 1 67 SER N 25014 1 61 . 1 1 68 68 ILE N N 15 14.789973 0.058820458 . . . 1 68 ILE N 25014 1 62 . 1 1 69 69 VAL N N 15 11.906323 0.060112458 . . . 1 69 VAL N 25014 1 63 . 1 1 71 71 LEU N N 15 13.233481 0.17852388 . . . 1 71 LEU N 25014 1 64 . 1 1 72 72 PHE N N 15 13.812306 0.060329261 . . . 1 72 PHE N 25014 1 65 . 1 1 73 73 GLN N N 15 12.606007 0.023382536 . . . 1 73 GLN N 25014 1 66 . 1 1 74 74 GLY N N 15 13.882884 0.097404942 . . . 1 74 GLY N 25014 1 67 . 1 1 75 75 ILE N N 15 12.271489 0.073085447 . . . 1 75 ILE N 25014 1 68 . 1 1 76 76 LYS N N 15 13.940029 0.059690557 . . . 1 76 LYS N 25014 1 69 . 1 1 77 77 ASP N N 15 11.617487 0.17845194 . . . 1 77 ASP N 25014 1 70 . 1 1 78 78 SER N N 15 11.210785 0.11758918 . . . 1 78 SER N 25014 1 71 . 1 1 79 79 LEU N N 15 12.499232 0.036727414 . . . 1 79 LEU N 25014 1 72 . 1 1 80 80 GLY N N 15 7.2869683 0.044432165 . . . 1 80 GLY N 25014 1 73 . 1 1 81 81 PHE N N 15 10.740828 0.028962654 . . . 1 81 PHE N 25014 1 74 . 1 1 82 82 GLN N N 15 10.532512 0.16879036 . . . 1 82 GLN N 25014 1 75 . 1 1 84 84 ASN N N 15 12.454345 0.089646691 . . . 1 84 ASN N 25014 1 76 . 1 1 85 85 LEU N N 15 12.14786 0.13390117 . . . 1 85 LEU N 25014 1 77 . 1 1 86 86 ARG N N 15 12.632032 0.094152163 . . . 1 86 ARG N 25014 1 78 . 1 1 87 87 TYR N N 15 12.657032 0.044368102 . . . 1 87 TYR N 25014 1 79 . 1 1 88 88 GLY N N 15 13.052462 0.057365475 . . . 1 88 GLY N 25014 1 80 . 1 1 89 89 VAL N N 15 12.34264 0.12212454 . . . 1 89 VAL N 25014 1 81 . 1 1 90 90 ILE N N 15 11.605398 0.16300489 . . . 1 90 ILE N 25014 1 82 . 1 1 91 91 ALA N N 15 13.508085 0.067235863 . . . 1 91 ALA N 25014 1 83 . 1 1 92 92 LEU N N 15 11.268749 0.16865865 . . . 1 92 LEU N 25014 1 84 . 1 1 93 93 GLY N N 15 12.383092 0.17264644 . . . 1 93 GLY N 25014 1 85 . 1 1 94 94 ASP N N 15 12.278329 0.092656697 . . . 1 94 ASP N 25014 1 86 . 1 1 95 95 SER N N 15 11.218416 0.26308853 . . . 1 95 SER N 25014 1 87 . 1 1 96 96 SER N N 15 14.118158 0.074452725 . . . 1 96 SER N 25014 1 88 . 1 1 97 97 TYR N N 15 13.090817 0.2342813 . . . 1 97 TYR N 25014 1 89 . 1 1 98 98 VAL N N 15 12.127116 0.076111219 . . . 1 98 VAL N 25014 1 90 . 1 1 99 99 ASN N N 15 12.94337 0.070213353 . . . 1 99 ASN N 25014 1 91 . 1 1 100 100 PHE N N 15 10.945013 0.11578767 . . . 1 100 PHE N 25014 1 92 . 1 1 101 101 CYS N N 15 14.154829 0.085384216 . . . 1 101 CYS N 25014 1 93 . 1 1 102 102 ASN N N 15 13.546629 0.044563989 . . . 1 102 ASN N 25014 1 94 . 1 1 103 103 GLY N N 15 13.789912 0.1843153 . . . 1 103 GLY N 25014 1 95 . 1 1 104 104 GLY N N 15 13.834139 0.14241631 . . . 1 104 GLY N 25014 1 96 . 1 1 105 105 LYS N N 15 14.334051 0.097806892 . . . 1 105 LYS N 25014 1 97 . 1 1 106 106 GLN N N 15 13.543129 0.082809366 . . . 1 106 GLN N 25014 1 98 . 1 1 107 107 PHE N N 15 11.384211 0.095907944 . . . 1 107 PHE N 25014 1 99 . 1 1 108 108 ASP N N 15 13.196794 0.059996734 . . . 1 108 ASP N 25014 1 100 . 1 1 109 109 ALA N N 15 13.241538 0.068821119 . . . 1 109 ALA N 25014 1 101 . 1 1 110 110 LEU N N 15 13.488834 0.050537359 . . . 1 110 LEU N 25014 1 102 . 1 1 111 111 LEU N N 15 13.785951 0.065353618 . . . 1 111 LEU N 25014 1 103 . 1 1 112 112 GLN N N 15 14.03931 0.047428947 . . . 1 112 GLN N 25014 1 104 . 1 1 113 113 GLU N N 15 12.407771 0.081072445 . . . 1 113 GLU N 25014 1 105 . 1 1 114 114 GLN N N 15 12.774842 0.072766401 . . . 1 114 GLN N 25014 1 106 . 1 1 115 115 SER N N 15 13.253544 0.072177637 . . . 1 115 SER N 25014 1 107 . 1 1 116 116 ALA N N 15 13.923586 0.055637848 . . . 1 116 ALA N 25014 1 108 . 1 1 117 117 GLN N N 15 12.049228 0.03425811 . . . 1 117 GLN N 25014 1 109 . 1 1 118 118 ARG N N 15 11.85879 0.049461995 . . . 1 118 ARG N 25014 1 110 . 1 1 119 119 VAL N N 15 12.03618 0.15711022 . . . 1 119 VAL N 25014 1 111 . 1 1 120 120 GLY N N 15 11.77718 0.041552192 . . . 1 120 GLY N 25014 1 112 . 1 1 121 121 GLU N N 15 11.523713 0.069632555 . . . 1 121 GLU N 25014 1 113 . 1 1 122 122 MET N N 15 10.481323 0.062844387 . . . 1 122 MET N 25014 1 114 . 1 1 123 123 LEU N N 15 13.57622 0.076961113 . . . 1 123 LEU N 25014 1 115 . 1 1 124 124 LEU N N 15 11.033285 0.18207286 . . . 1 124 LEU N 25014 1 116 . 1 1 125 125 ILE N N 15 10.474036 0.11608746 . . . 1 125 ILE N 25014 1 117 . 1 1 126 126 ASP N N 15 11.138283 0.10033339 . . . 1 126 ASP N 25014 1 118 . 1 1 127 127 ALA N N 15 13.814202 0.1247831 . . . 1 127 ALA N 25014 1 119 . 1 1 128 128 SER N N 15 12.208117 0.16565485 . . . 1 128 SER N 25014 1 120 . 1 1 129 129 GLU N N 15 12.768723 0.05753557 . . . 1 129 GLU N 25014 1 121 . 1 1 130 130 ASN N N 15 10.862138 0.050568544 . . . 1 130 ASN N 25014 1 122 . 1 1 132 132 GLU N N 15 11.979562 0.071240517 . . . 1 132 GLU N 25014 1 123 . 1 1 134 134 GLU N N 15 13.141293 0.05560496 . . . 1 134 GLU N 25014 1 124 . 1 1 135 135 THR N N 15 12.810155 0.1414735 . . . 1 135 THR N 25014 1 125 . 1 1 136 136 GLU N N 15 12.955593 0.06712336 . . . 1 136 GLU N 25014 1 126 . 1 1 137 137 SER N N 15 12.85454 0.063290989 . . . 1 137 SER N 25014 1 127 . 1 1 138 138 ASN N N 15 12.385861 0.047570342 . . . 1 138 ASN N 25014 1 128 . 1 1 140 140 TRP N N 15 13.770238 0.13812599 . . . 1 140 TRP N 25014 1 129 . 1 1 141 141 VAL N N 15 12.949675 0.090155719 . . . 1 141 VAL N 25014 1 130 . 1 1 142 142 GLU N N 15 14.030854 0.080014779 . . . 1 142 GLU N 25014 1 131 . 1 1 143 143 GLN N N 15 12.032634 0.21408092 . . . 1 143 GLN N 25014 1 132 . 1 1 144 144 TRP N N 15 12.962925 0.069295056 . . . 1 144 TRP N 25014 1 133 . 1 1 145 145 GLY N N 15 11.194812 0.11427156 . . . 1 145 GLY N 25014 1 134 . 1 1 147 147 LEU N N 15 13.516986 0.041432908 . . . 1 147 LEU N 25014 1 135 . 1 1 148 148 LEU N N 15 12.200282 0.055064539 . . . 1 148 LEU N 25014 1 136 . 1 1 149 149 SER N N 15 5.9511698 0.057414036 . . . 1 149 SER N 25014 1 stop_ save_