data_25014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; holo_YqcA_dynamics ; _BMRB_accession_number 25014 _BMRB_flat_file_name bmr25014.str _Entry_type original _Submission_date 2014-06-12 _Accession_date 2014-06-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jin Changwen . . 2 Hu Yunfei . . 3 Ye Qian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 136 "T2 relaxation values" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25013 'apo YqcA' 25015 'holo FldA' stop_ _Original_release_date 2014-09-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational Dynamics of Escherichia coli Flavodoxins in Apo- and Holo-States by Solution NMR Spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25093851 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Qian . . 2 Hu Yunfei . . 3 Jin Changwen . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 9 _Journal_issue 8 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e103936 _Page_last e103936 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'holo YqcA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YqcA $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YqcA _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 GLU 4 4 ILE 5 5 GLY 6 6 ILE 7 7 PHE 8 8 VAL 9 9 GLY 10 10 THR 11 11 MET 12 12 TYR 13 13 GLY 14 14 ASN 15 15 SER 16 16 LEU 17 17 LEU 18 18 VAL 19 19 ALA 20 20 GLU 21 21 GLU 22 22 ALA 23 23 GLU 24 24 ALA 25 25 ILE 26 26 LEU 27 27 THR 28 28 ALA 29 29 GLN 30 30 GLY 31 31 HIS 32 32 LYS 33 33 ALA 34 34 THR 35 35 VAL 36 36 PHE 37 37 GLU 38 38 ASP 39 39 PRO 40 40 GLU 41 41 LEU 42 42 SER 43 43 ASP 44 44 TRP 45 45 LEU 46 46 PRO 47 47 TYR 48 48 GLN 49 49 ASP 50 50 LYS 51 51 TYR 52 52 VAL 53 53 LEU 54 54 VAL 55 55 VAL 56 56 THR 57 57 SER 58 58 THR 59 59 THR 60 60 GLY 61 61 GLN 62 62 GLY 63 63 ASP 64 64 LEU 65 65 PRO 66 66 ASP 67 67 SER 68 68 ILE 69 69 VAL 70 70 PRO 71 71 LEU 72 72 PHE 73 73 GLN 74 74 GLY 75 75 ILE 76 76 LYS 77 77 ASP 78 78 SER 79 79 LEU 80 80 GLY 81 81 PHE 82 82 GLN 83 83 PRO 84 84 ASN 85 85 LEU 86 86 ARG 87 87 TYR 88 88 GLY 89 89 VAL 90 90 ILE 91 91 ALA 92 92 LEU 93 93 GLY 94 94 ASP 95 95 SER 96 96 SER 97 97 TYR 98 98 VAL 99 99 ASN 100 100 PHE 101 101 CYS 102 102 ASN 103 103 GLY 104 104 GLY 105 105 LYS 106 106 GLN 107 107 PHE 108 108 ASP 109 109 ALA 110 110 LEU 111 111 LEU 112 112 GLN 113 113 GLU 114 114 GLN 115 115 SER 116 116 ALA 117 117 GLN 118 118 ARG 119 119 VAL 120 120 GLY 121 121 GLU 122 122 MET 123 123 LEU 124 124 LEU 125 125 ILE 126 126 ASP 127 127 ALA 128 128 SER 129 129 GLU 130 130 ASN 131 131 PRO 132 132 GLU 133 133 PRO 134 134 GLU 135 135 THR 136 136 GLU 137 137 SER 138 138 ASN 139 139 PRO 140 140 TRP 141 141 VAL 142 142 GLU 143 143 GLN 144 144 TRP 145 145 GLY 146 146 THR 147 147 LEU 148 148 LEU 149 149 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18154 entity 100.00 149 100.00 100.00 3.60e-103 BMRB 19151 entity 100.00 149 99.33 99.33 1.40e-102 BMRB 19152 holo_YqcA 100.00 149 100.00 100.00 3.60e-103 BMRB 25013 YqcA 100.00 149 100.00 100.00 3.60e-103 PDB 2M6R Apo_yqca 100.00 149 99.33 99.33 1.40e-102 PDB 2M6S Holo_yqca 100.00 149 99.33 99.33 1.40e-102 DBJ BAB37073 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.60e-103 DBJ BAE76862 "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" 100.00 149 100.00 100.00 3.60e-103 DBJ BAG78574 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 149 99.33 100.00 1.96e-102 DBJ BAI27051 "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" 100.00 149 99.33 100.00 1.96e-102 DBJ BAI32080 "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" 100.00 149 100.00 100.00 3.60e-103 EMBL CAP77223 "Uncharacterized protein yqcA [Escherichia coli LF82]" 100.00 149 97.32 98.66 1.31e-101 EMBL CAQ33114 "predicted flavoprotein [Escherichia coli BL21(DE3)]" 100.00 149 99.33 99.33 1.40e-102 EMBL CAQ99718 "putative flavoprotein [Escherichia coli IAI1]" 100.00 149 99.33 100.00 1.96e-102 EMBL CAR04300 "putative flavoprotein [Escherichia coli S88]" 100.00 149 98.66 99.33 2.18e-102 EMBL CAR09403 "putative flavoprotein [Escherichia coli ED1a]" 100.00 149 98.66 99.33 2.18e-102 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 3.60e-103 GB AAC75832 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.60e-103 GB AAG57904 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 149 100.00 100.00 3.60e-103 GB AAN44291 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.60e-103 GB AAN81803 "Hypothetical protein yqcA [Escherichia coli CFT073]" 100.00 149 98.66 99.33 2.18e-102 REF NP_311677 "flavodoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.60e-103 REF NP_417270 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.60e-103 REF NP_708584 "flavodoxin [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.60e-103 REF WP_000229279 "flavodoxin [Escherichia coli]" 100.00 149 97.32 97.99 7.87e-101 REF WP_000807726 "flavodoxin [Escherichia coli]" 100.00 149 99.33 100.00 1.28e-102 SP P65367 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.60e-103 SP P65368 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.60e-103 SP P65369 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.60e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' 'E. coli' Escherichia coli . pET21a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM [U-15N] DTT 20 mM 'natural abundance' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_T1_measurement_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 measurement' _Sample_label $sample_1 save_ save_T2_measurement_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 measurement' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.13 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name YqcA _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLU N 1.0225592 0.024975504 2 4 ILE N 1.0143257 0.019455687 3 5 GLY N 1.123378 0.011505453 4 6 ILE N 1.0463786 0.015970576 5 7 PHE N 1.0556471 0.010740404 6 8 VAL N 1.0187985 0.01667882 7 9 GLY N 1.0791368 0.0156005 8 10 THR N 1.0484314 0.026355426 9 11 MET N 1.0725533 0.036095552 10 12 TYR N 1.0680775 0.02514628 11 13 GLY N 1.0673777 0.02519552 12 14 ASN N 1.1315986 0.02539489 13 15 SER N 1.0397792 0.023361569 14 16 LEU N 1.0652149 0.020014114 15 17 LEU N 1.0469816 0.016464207 16 18 VAL N 1.0467317 0.016483501 17 19 ALA N 1.0740568 0.013122269 18 20 GLU N 1.0071303 0.017210925 19 21 GLU N 1.0523722 0.021856214 20 22 ALA N 1.0562281 0.024276281 21 23 GLU N 1.0268066 0.011011228 22 24 ALA N 1.0565203 0.015106706 23 25 ILE N 1.0263412 0.013374536 24 26 LEU N 1.0653417 0.016577862 25 27 THR N 1.0659535 0.024794094 26 28 ALA N 1.0673383 0.018040792 27 29 GLN N 0.98291479 0.017015428 28 30 GLY N 1.0190844 0.01785369 29 31 HIS N 1.0517563 0.015037476 30 32 LYS N 1.0424618 0.022407505 31 33 ALA N 0.96864987 0.016246618 32 34 THR N 1.0344428 0.019662029 33 35 VAL N 0.99247826 0.017065732 34 36 PHE N 1.0390122 0.012684838 35 37 GLU N 0.96981302 0.011374768 36 38 ASP N 0.95252678 0.037702044 37 40 GLU N 0.96967333 0.012513996 38 41 LEU N 1.0358304 0.011539447 39 42 SER N 1.0377668 0.015314643 40 43 ASP N 1.0737375 0.011345537 41 44 TRP N 1.0185731 0.014509285 42 47 TYR N 1.0293621 0.016272468 43 48 GLN N 1.1042306 0.012457994 44 49 ASP N 1.1011939 0.01600641 45 50 LYS N 1.0494154 0.017572989 46 51 TYR N 1.066101 0.020030471 47 52 VAL N 1.0553412 0.01515805 48 53 LEU N 1.0784099 0.012755781 49 54 VAL N 1.0405421 0.018497149 50 55 VAL N 1.0451038 0.00951963 51 56 THR N 1.1102432 0.014836574 52 57 SER N 1.172525 0.022900407 53 58 THR N 1.0573771 0.041018252 54 59 THR N 1.0638295 0.023672084 55 60 GLY N 1.1468442 0.024239261 56 62 GLY N 1.0452119 0.020211091 57 63 ASP N 1.1882568 0.050850348 58 64 LEU N 0.99607621 0.010796106 59 66 ASP N 0.98364171 0.017582505 60 67 SER N 1.0691639 0.02078892 61 68 ILE N 1.1079246 0.012818034 62 69 VAL N 1.0585489 0.011165785 63 71 LEU N 1.0209784 0.008469037 64 72 PHE N 1.0577908 0.0093416239 65 73 GLN N 1.0645034 0.0063270577 66 74 GLY N 1.0418737 0.0068705534 67 75 ILE N 1.0610784 0.0049184246 68 76 LYS N 1.0646746 0.0069760869 69 77 ASP N 1.0327122 0.0054348084 70 78 SER N 0.97397085 0.014070177 71 79 LEU N 0.93453921 0.0090672086 72 80 GLY N 0.97636923 0.0099416083 73 81 PHE N 1.1199393 0.015363687 74 82 GLN N 0.96065633 0.014443985 75 84 ASN N 1.0636081 0.029608764 76 85 LEU N 1.1193509 0.016032698 77 86 ARG N 1.1052292 0.019649752 78 87 TYR N 1.1283506 0.015946453 79 88 GLY N 1.0970705 0.013962955 80 89 VAL N 1.0951215 0.022897179 81 90 ILE N 1.0277686 0.013776336 82 91 ALA N 1.1091249 0.013202117 83 92 LEU N 1.0357138 0.031943583 84 93 GLY N 1.0643998 0.036925522 85 94 ASP N 1.1129999 0.038249107 86 95 SER N 1.1195171 0.048150541 87 96 SER N 1.2200929 0.049741509 88 97 TYR N 1.0811876 0.04588599 89 98 VAL N 1.058371 0.027713332 90 99 ASN N 1.0786089 0.025503346 91 100 PHE N 1.1259968 0.044624881 92 101 CYS N 1.1612774 0.030374874 93 102 ASN N 1.0549068 0.021865576 94 103 GLY N 1.0615484 0.023545055 95 104 GLY N 1.0595312 0.021493557 96 105 LYS N 1.0974884 0.018703164 97 106 GLN N 1.0268762 0.016405467 98 107 PHE N 1.0091683 0.020068202 99 108 ASP N 1.016489 0.01387817 100 109 ALA N 1.0580255 0.022160305 101 110 LEU N 1.0527491 0.0085547201 102 111 LEU N 1.0196798 0.011675536 103 112 GLN N 1.0239648 0.011362306 104 113 GLU N 1.040576 0.0090777221 105 114 GLN N 0.99186293 0.0099517214 106 115 SER N 1.0182314 0.017382912 107 116 ALA N 1.0923569 0.015755753 108 117 GLN N 1.0302338 0.012585138 109 118 ARG N 1.0682216 0.018465377 110 119 VAL N 1.0830844 0.018584357 111 120 GLY N 1.0052067 0.017446413 112 121 GLU N 0.93848957 0.018873863 113 122 MET N 1.0282194 0.015260876 114 123 LEU N 1.1226613 0.017511189 115 124 LEU N 1.0400136 0.017159932 116 125 ILE N 0.99977201 0.021633222 117 126 ASP N 1.0453032 0.020814074 118 127 ALA N 1.0938561 0.037200926 119 128 SER N 1.0936226 0.036767131 120 129 GLU N 1.0568261 0.023191055 121 130 ASN N 0.97534996 0.022616982 122 132 GLU N 1.081654 0.018071897 123 134 GLU N 1.1211816 0.020010313 124 135 THR N 1.149429 0.025095381 125 136 GLU N 1.1053679 0.024779784 126 137 SER N 1.0559181 0.02745551 127 138 ASN N 1.081481 0.023682194 128 140 TRP N 1.0625615 0.013712941 129 141 VAL N 1.0640628 0.01455795 130 142 GLU N 1.0267159 0.013587002 131 143 GLN N 0.99487151 0.021759453 132 144 TRP N 1.0618791 0.020175891 133 145 GLY N 1.0236172 0.021074391 134 147 LEU N 1.090018 0.021877774 135 148 LEU N 1.0304583 0.01977139 136 149 SER N 1.0686356 0.02429291 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.13 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name YqcA _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLU N 11.11782 0.036246944 . . 2 4 ILE N 11.812065 0.048927414 . . 3 5 GLY N 13.376516 0.053603217 . . 4 6 ILE N 11.271729 0.07363817 . . 5 7 PHE N 10.903034 0.048883816 . . 6 8 VAL N 11.977159 0.058714471 . . 7 9 GLY N 13.216684 0.049194394 . . 8 10 THR N 12.585256 0.047128093 . . 9 11 MET N 16.386283 0.089097441 . . 10 12 TYR N 12.223089 0.088105145 . . 11 13 GLY N 12.376199 0.070575334 . . 12 14 ASN N 15.885095 0.15231082 . . 13 15 SER N 13.581376 0.076916344 . . 14 16 LEU N 14.574188 0.074916202 . . 15 17 LEU N 12.995873 0.14442464 . . 16 18 VAL N 13.22987 0.043397874 . . 17 19 ALA N 12.919441 0.039396687 . . 18 20 GLU N 13.764345 0.07320757 . . 19 21 GLU N 12.992342 0.050271426 . . 20 22 ALA N 12.694615 0.043773421 . . 21 23 GLU N 13.66426 0.096790318 . . 22 24 ALA N 13.21502 0.14161434 . . 23 25 ILE N 12.868689 0.038439561 . . 24 26 LEU N 13.740188 0.053376381 . . 25 27 THR N 16.372078 0.054078067 . . 26 28 ALA N 12.961318 0.17362452 . . 27 29 GLN N 11.448162 0.066236649 . . 28 30 GLY N 12.98057 0.11662822 . . 29 31 HIS N 14.243056 0.07617465 . . 30 32 LYS N 11.438556 0.056051264 . . 31 33 ALA N 12.944294 0.10277707 . . 32 34 THR N 11.304905 0.097918283 . . 33 35 VAL N 10.641215 0.073342852 . . 34 36 PHE N 11.202261 0.030913064 . . 35 37 GLU N 10.607233 0.034350464 . . 36 38 ASP N 13.287165 0.085233996 . . 37 40 GLU N 13.128906 0.18328386 . . 38 41 LEU N 11.385259 0.064154605 . . 39 42 SER N 11.873695 0.17278497 . . 40 43 ASP N 13.97909 0.14968538 . . 41 44 TRP N 13.157401 0.05721997 . . 42 47 TYR N 11.504258 0.16057211 . . 43 48 GLN N 12.112798 0.18997883 . . 44 49 ASP N 11.243072 0.037917485 . . 45 50 LYS N 11.009698 0.2312572 . . 46 51 TYR N 12.683426 0.048809927 . . 47 52 VAL N 11.150948 0.14410432 . . 48 53 LEU N 11.177496 0.128794 . . 49 54 VAL N 11.58953 0.04183942 . . 50 55 VAL N 11.573047 0.044704988 . . 51 56 THR N 12.481392 0.094225899 . . 52 57 SER N 12.438249 0.085038159 . . 53 58 THR N 13.257471 0.13879703 . . 54 59 THR N 22.096296 0.19381038 . . 55 60 GLY N 34.366273 2.0848705 . . 56 62 GLY N 20.495394 0.1489333 . . 57 63 ASP N 11.576235 0.69660997 . . 58 64 LEU N 12.222915 0.030962003 . . 59 66 ASP N 11.963693 0.083904059 . . 60 67 SER N 12.176922 0.1978274 . . 61 68 ILE N 14.789973 0.058820458 . . 62 69 VAL N 11.906323 0.060112458 . . 63 71 LEU N 13.233481 0.17852388 . . 64 72 PHE N 13.812306 0.060329261 . . 65 73 GLN N 12.606007 0.023382536 . . 66 74 GLY N 13.882884 0.097404942 . . 67 75 ILE N 12.271489 0.073085447 . . 68 76 LYS N 13.940029 0.059690557 . . 69 77 ASP N 11.617487 0.17845194 . . 70 78 SER N 11.210785 0.11758918 . . 71 79 LEU N 12.499232 0.036727414 . . 72 80 GLY N 7.2869683 0.044432165 . . 73 81 PHE N 10.740828 0.028962654 . . 74 82 GLN N 10.532512 0.16879036 . . 75 84 ASN N 12.454345 0.089646691 . . 76 85 LEU N 12.14786 0.13390117 . . 77 86 ARG N 12.632032 0.094152163 . . 78 87 TYR N 12.657032 0.044368102 . . 79 88 GLY N 13.052462 0.057365475 . . 80 89 VAL N 12.34264 0.12212454 . . 81 90 ILE N 11.605398 0.16300489 . . 82 91 ALA N 13.508085 0.067235863 . . 83 92 LEU N 11.268749 0.16865865 . . 84 93 GLY N 12.383092 0.17264644 . . 85 94 ASP N 12.278329 0.092656697 . . 86 95 SER N 11.218416 0.26308853 . . 87 96 SER N 14.118158 0.074452725 . . 88 97 TYR N 13.090817 0.2342813 . . 89 98 VAL N 12.127116 0.076111219 . . 90 99 ASN N 12.94337 0.070213353 . . 91 100 PHE N 10.945013 0.11578767 . . 92 101 CYS N 14.154829 0.085384216 . . 93 102 ASN N 13.546629 0.044563989 . . 94 103 GLY N 13.789912 0.1843153 . . 95 104 GLY N 13.834139 0.14241631 . . 96 105 LYS N 14.334051 0.097806892 . . 97 106 GLN N 13.543129 0.082809366 . . 98 107 PHE N 11.384211 0.095907944 . . 99 108 ASP N 13.196794 0.059996734 . . 100 109 ALA N 13.241538 0.068821119 . . 101 110 LEU N 13.488834 0.050537359 . . 102 111 LEU N 13.785951 0.065353618 . . 103 112 GLN N 14.03931 0.047428947 . . 104 113 GLU N 12.407771 0.081072445 . . 105 114 GLN N 12.774842 0.072766401 . . 106 115 SER N 13.253544 0.072177637 . . 107 116 ALA N 13.923586 0.055637848 . . 108 117 GLN N 12.049228 0.03425811 . . 109 118 ARG N 11.85879 0.049461995 . . 110 119 VAL N 12.03618 0.15711022 . . 111 120 GLY N 11.77718 0.041552192 . . 112 121 GLU N 11.523713 0.069632555 . . 113 122 MET N 10.481323 0.062844387 . . 114 123 LEU N 13.57622 0.076961113 . . 115 124 LEU N 11.033285 0.18207286 . . 116 125 ILE N 10.474036 0.11608746 . . 117 126 ASP N 11.138283 0.10033339 . . 118 127 ALA N 13.814202 0.1247831 . . 119 128 SER N 12.208117 0.16565485 . . 120 129 GLU N 12.768723 0.05753557 . . 121 130 ASN N 10.862138 0.050568544 . . 122 132 GLU N 11.979562 0.071240517 . . 123 134 GLU N 13.141293 0.05560496 . . 124 135 THR N 12.810155 0.1414735 . . 125 136 GLU N 12.955593 0.06712336 . . 126 137 SER N 12.85454 0.063290989 . . 127 138 ASN N 12.385861 0.047570342 . . 128 140 TRP N 13.770238 0.13812599 . . 129 141 VAL N 12.949675 0.090155719 . . 130 142 GLU N 14.030854 0.080014779 . . 131 143 GLN N 12.032634 0.21408092 . . 132 144 TRP N 12.962925 0.069295056 . . 133 145 GLY N 11.194812 0.11427156 . . 134 147 LEU N 13.516986 0.041432908 . . 135 148 LEU N 12.200282 0.055064539 . . 136 149 SER N 5.9511698 0.057414036 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.13 _Mol_system_component_name YqcA _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLU 0.833327711 0.00239115953 4 ILE 0.831850171 0.00716233207 5 GLY 0.860794306 0.00370112062 6 ILE 0.856304348 0.00954124331 7 PHE 0.85609591 0.00656577945 8 VAL 0.835278213 0.00113716722 9 GLY 0.848262787 0.00759351254 10 THR 0.830941916 0.00515896082 11 MET 0.892198861 0.00958058238 12 TYR 0.82763052 0.00376152969 13 GLY 0.832662225 0.00166994322 14 ASN 0.889923275 0.0154962838 15 SER 0.864802003 0.0104734302 16 LEU 0.8560884 0.00829026103 17 LEU 0.86055243 0.017090708 18 VAL 0.850890756 0.0103407502 19 ALA 0.857060671 0.0041718483 20 GLU 0.869123995 0.0030066669 21 GLU 0.85724932 0.006879956 22 ALA 0.842139959 0.0103459954 23 GLU 0.853522062 0.0103781819 24 ALA 0.852169693 0.0179173052 25 ILE 0.838194311 0.0132998824 26 LEU 0.836632848 0.000130444765 27 THR 0.860885799 0.0134378076 28 ALA 0.871257603 0.00190404058 29 GLN 0.835141122 0.0113226473 30 GLY 0.868392527 0.00381734967 31 HIS 0.885106325 0.0220134556 32 LYS 0.843907893 0.00677430583 33 ALA 0.822541654 0.00782737136 34 THR 0.846379936 0.000292301178 35 VAL 0.824051619 0.00583547354 36 PHE 0.855881333 0.00349253416 37 GLU 0.807395279 0.00291398168 38 ASP 0.828676105 0.00220471621 40 GLU 0.820659041 0.0111503601 41 LEU 0.827594697 0.00613519549 42 SER 0.829318166 0.00677278638 43 ASP 0.864547908 0.0127986372 44 TRP 0.853217304 0.00218361616 47 TYR 0.843797147 0.00709578395 49 ASP 0.83333832 0.000966221152 50 LYS 0.807112694 0.0128856003 51 TYR 0.852827728 0.00536525249 52 VAL 0.845317721 0.00415071845 53 LEU 0.851541162 0.00482320786 54 VAL 0.857894719 0.000975847302 55 VAL 0.861069977 0.011644423 56 THR 0.857119977 0.0101341903 57 SER 0.866780102 0.0199130476 58 THR 0.824996829 0.00957730412 59 THR 0.848776817 0.0099196434 60 GLY 0.791805148 0.00986757874 62 GLY 0.756529093 0.019298166 63 ASP 0.671700835 0.00706464052 64 LEU 0.803084314 0.0039434731 66 ASP 0.807957232 0.00661221147 67 SER 0.836527944 0.00149020553 68 ILE 0.85418725 0.0100921392 69 VAL 0.818690717 0.00278064609 71 LEU 0.82883817 0.00661000609 72 PHE 0.847411394 0.00697973371 73 GLN 0.844298184 0.0101163387 74 GLY 0.849370539 0.0107749104 75 ILE 0.844465017 0.00658136606 76 LYS 0.858997881 0.00710841967 77 ASP 0.827744961 0.00277349353 78 SER 0.815575898 0.00868448615 79 LEU 0.809336364 0.00203806162 80 GLY 0.505172908 0.000378966331 81 PHE 0.789392531 0.0028424859 82 GLN 0.831955969 0.00307166576 84 ASN 0.825935423 0.00789120793 85 LEU 0.840105116 0.0107793808 86 ARG 0.841214597 0.00100311637 87 TYR 0.860594273 0.00314924121 88 GLY 0.856163859 0.00769478083 89 VAL 0.840143204 0.00790119171 90 ILE 0.846300662 0.0127440691 91 ALA 0.871484816 0.00980219245 92 LEU 0.855618179 0.00611066818 93 GLY 0.841130078 0.00772532821 94 ASP 0.848049343 0.0210488439 95 SER 0.863466024 0.0150217423 96 SER 0.856347501 0.00287923217 97 TYR 0.858470738 0.00377690792 98 VAL 0.774847746 0.010376364 99 ASN 0.815159917 0.00651913881 100 PHE 0.810403883 0.00965881348 101 CYS 0.852372766 0.00575059652 102 ASN 0.827002823 0.00694221212 103 GLY 0.845271111 0.0157187879 104 GLY 0.826389074 0.00987279415 105 LYS 0.855663002 0.0175055563 106 GLN 0.837676585 0.0112141371 107 PHE 0.843575418 0.00350183249 108 ASP 0.844994307 0.00830873847 109 ALA 0.842352867 0.00633776188 110 LEU 0.870247185 0.00933849812 111 LEU 0.86833322 0.00584360957 112 GLN 0.840131462 0.0019389987 113 GLU 0.844664872 0.0113742054 114 GLN 0.83264035 0.00325396657 115 SER 0.831507206 0.0049520731 116 ALA 0.847883344 0.0117895901 117 GLN 0.830725551 0.00140658021 118 ARG 0.845245957 0.000322043896 119 VAL 0.840806544 0.00976005197 120 GLY 0.841956139 0.00621443987 121 GLU 0.778963983 0.0078638196 122 MET 0.787654459 0.00393852592 123 LEU 0.831258237 0.00559103489 124 LEU 0.835832655 0.0102936625 125 ILE 0.825249314 0.0117252171 126 ASP 0.852132976 0.00811260939 127 ALA 0.860776603 0.0145286024 128 SER 0.838597894 0.00210270286 129 GLU 0.802724838 0.00464233756 130 ASN 0.786196232 0.00532260537 132 GLU 0.808621287 0.00532081723 134 GLU 0.845891178 0.00457781553 135 THR 0.852107763 0.0113078058 136 GLU 0.818351686 0.0019364357 137 SER 0.84385401 0.00895005465 138 ASN 0.848718762 0.00621685386 140 TRP 0.84658426 0.0048891902 141 VAL 0.855640531 0.0121837258 142 GLU 0.854003072 0.0103906989 143 GLN 0.837885797 0.00133368373 144 TRP 0.860841811 0.00611245632 145 GLY 0.870272994 0.0025947094 147 LEU 0.845673025 0.00762602687 148 LEU 0.795175374 0.00181013346 149 SER 0.362829357 0.000226557255 stop_ save_