data_25013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo_YqcA_dynamics ; _BMRB_accession_number 25013 _BMRB_flat_file_name bmr25013.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" 112 "T2 relaxation values" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25014 'holo 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 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 25014 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] 'sodium phosphate' 30 mM 'natural abundance' DTT 20 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 1.09594 0.023622774 2 4 ILE N 1.0740075 0.019583878 3 5 GLY N 1.1502322 0.012198563 4 6 ILE N 1.1314094 0.017148898 5 7 PHE N 1.1083456 0.017809597 6 9 GLY N 1.1557434 0.019592521 7 18 VAL N 1.157817 0.010175348 8 20 GLU N 1.0567076 0.03386995 9 21 GLU N 1.178288 0.015680411 10 22 ALA N 1.2151257 0.02467845 11 23 GLU N 1.0896896 0.010948535 12 24 ALA N 1.0898292 0.023320818 13 25 ILE N 1.1790858 0.010591069 14 26 LEU N 1.1888578 0.020417098 15 27 THR N 1.1843419 0.022572874 16 28 ALA N 1.1632137 0.010282109 17 29 GLN N 1.0943853 0.013829958 18 30 GLY N 1.1198159 0.010286826 19 31 HIS N 1.1063235 0.016207966 20 32 LYS N 0.97896577 0.044390387 21 33 ALA N 1.0424253 0.016879996 22 34 THR N 1.0846929 0.022566766 23 35 VAL N 1.0849419 0.013296557 24 36 PHE N 1.1721393 0.015678585 25 37 GLU N 1.0780108 0.015532868 26 38 ASP N 1.2247873 0.03632392 27 40 GLU N 1.1179947 0.027072786 28 41 LEU N 1.1275777 0.012061873 29 42 SER N 1.1360205 0.0130685 30 43 ASP N 1.1293747 0.0095463354 31 44 TRP N 1.1593007 0.0063547907 32 45 LEU N 1.1394936 0.0065850414 33 47 TYR N 1.1242855 0.014651495 34 48 GLN N 1.1790557 0.009982244 35 49 ASP N 1.1809945 0.017466325 36 50 LYS N 1.0880927 0.022897987 37 51 TYR N 1.132127 0.021745563 38 52 VAL N 1.1401172 0.017244836 39 53 LEU N 1.1841296 0.013766007 40 54 VAL N 1.1486194 0.012031691 41 55 VAL N 1.1035984 0.020458523 42 56 THR N 1.1517226 0.023362532 43 62 GLY N 1.3218932 0.061638345 44 68 ILE N 1.1487526 0.015232678 45 71 LEU N 1.3684025 0.11891585 46 72 PHE N 1.0711619 0.028114345 47 74 GLY N 1.116602 0.0062487875 48 75 ILE N 1.1185016 0.0098457116 49 76 LYS N 1.1340771 0.01634768 50 77 ASP N 1.1200832 0.0053345945 51 78 SER N 1.0700081 0.007568112 52 79 LEU N 1.0251086 0.011306866 53 80 GLY N 1.0368834 0.017182995 54 81 PHE N 1.2364713 0.026313672 55 82 GLN N 1.0426884 0.014912491 56 84 ASN N 1.1660788 0.025771923 57 85 LEU N 1.2082667 0.01742502 58 86 ARG N 1.1964296 0.023303837 59 87 TYR N 1.2399888 0.016084502 60 88 GLY N 1.1461448 0.012959742 61 89 VAL N 1.193627 0.017264415 62 90 ILE N 1.1326469 0.015809502 63 91 ALA N 1.1765136 0.014118043 64 93 GLY N 1.118696 0.028533435 65 94 ASP N 1.6151823 0.08536601 66 95 SER N 1.2702357 0.049295744 67 96 SER N 1.304637 0.047701266 68 97 TYR N 1.3058095 0.039535042 69 99 ASN N 1.346304 0.030787872 70 100 PHE N 1.2877546 0.045537161 71 105 LYS N 1.1700819 0.027545913 72 106 GLN N 1.1272638 0.015136805 73 107 PHE N 1.1304666 0.0094389414 74 108 ASP N 1.1029103 0.0093548873 75 109 ALA N 1.3358738 0.036113838 76 110 LEU N 1.0935704 0.010849351 77 111 LEU N 1.1080175 0.0085556253 78 112 GLN N 1.096052 0.011928901 79 113 GLU N 1.1296267 0.007072959 80 114 GLN N 1.0527189 0.0090967799 81 115 SER N 1.1092844 0.018122128 82 116 ALA N 1.116999 0.019028136 83 117 GLN N 1.1376265 0.017365411 84 118 ARG N 1.1477398 0.029929632 85 119 VAL N 1.1423492 0.025384577 86 120 GLY N 1.0765369 0.018815043 87 121 GLU N 1.0458278 0.016689549 88 122 MET N 1.1167401 0.012444445 89 123 LEU N 1.2941629 0.04229861 90 124 LEU N 1.1137071 0.011334527 91 125 ILE N 1.0482876 0.020225711 92 126 ASP N 1.1287168 0.017473703 93 127 ALA N 1.1959197 0.026396167 94 128 SER N 1.2153128 0.028149503 95 129 GLU N 1.1480205 0.019221568 96 130 ASN N 1.0306347 0.014511869 97 132 GLU N 1.4114801 0.029558028 98 134 GLU N 1.168318 0.024314446 99 135 THR N 1.2490953 0.022665574 100 136 GLU N 1.1520112 0.0085506268 101 137 SER N 1.1767147 0.019361269 102 138 ASN N 1.1574191 0.022800056 103 140 TRP N 1.1330925 0.015958806 104 141 VAL N 1.1155152 0.013253029 105 142 GLU N 1.1244181 0.010659597 106 143 GLN N 1.0701097 0.016543988 107 144 TRP N 1.1264728 0.02300504 108 145 GLY N 1.0912099 0.018141699 109 146 THR N 1.1298799 0.024967614 110 147 LEU N 1.1688938 0.018941597 111 148 LEU N 1.0984583 0.015815451 112 149 SER N 1.1133921 0.022310799 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 10.720345 0.075117181 . . 2 4 ILE N 11.253836 0.10034856 . . 3 5 GLY N 12.851975 0.12266722 . . 4 6 ILE N 11.154218 0.077707527 . . 5 7 PHE N 12.521381 0.11422726 . . 6 9 GLY N 19.702894 0.82552273 . . 7 18 VAL N 25.805696 1.2851451 . . 8 20 GLU N 20.19708 0.51124312 . . 9 21 GLU N 16.520119 0.15168756 . . 10 22 ALA N 12.772762 0.072349624 . . 11 23 GLU N 14.298203 0.090307906 . . 12 24 ALA N 14.472032 0.067343914 . . 13 25 ILE N 12.594345 0.024703174 . . 14 26 LEU N 12.367269 0.1411387 . . 15 27 THR N 14.198646 0.14049665 . . 16 28 ALA N 11.892659 0.1455169 . . 17 29 GLN N 10.394494 0.15713768 . . 18 30 GLY N 11.853076 0.12250218 . . 19 31 HIS N 12.997431 0.16793557 . . 20 32 LYS N 10.734211 0.1381714 . . 21 33 ALA N 11.576775 0.14438111 . . 22 34 THR N 12.858158 0.067193936 . . 23 35 VAL N 9.965085 0.035545635 . . 24 36 PHE N 19.612269 0.11694377 . . 25 37 GLU N 10.643221 0.17020391 . . 26 38 ASP N 15.531965 0.46488912 . . 27 40 GLU N 22.08281 1.0740799 . . 28 41 LEU N 11.308461 0.07972566 . . 29 42 SER N 11.016949 0.10735836 . . 30 43 ASP N 12.773904 0.10869716 . . 31 44 TRP N 11.959538 0.094288088 . . 32 45 LEU N 10.841466 0.10274629 . . 33 47 TYR N 11.073871 0.18848957 . . 34 48 GLN N 11.159282 0.094954736 . . 35 49 ASP N 10.345664 0.056784783 . . 36 50 LYS N 10.469212 0.13404715 . . 37 51 TYR N 12.091743 0.10202004 . . 38 52 VAL N 16.171756 0.20403756 . . 39 53 LEU N 10.729419 0.12814021 . . 40 54 VAL N 12.821603 0.068059554 . . 41 55 VAL N 12.43754 0.06160284 . . 42 56 THR N 14.455834 0.11531189 . . 43 62 GLY N 22.947747 1.3859023 . . 44 68 ILE N 12.823458 0.16785645 . . 45 71 LEU N 15.451174 0.53880815 . . 46 72 PHE N 17.708704 0.17207469 . . 47 74 GLY N 15.519237 0.059660599 . . 48 75 ILE N 11.845568 0.12899821 . . 49 76 LYS N 14.334339 0.099125458 . . 50 77 ASP N 11.052101 0.064467595 . . 51 78 SER N 11.815195 0.14190864 . . 52 79 LEU N 11.732202 0.07749488 . . 53 80 GLY N 7.4681702 0.046223083 . . 54 81 PHE N 10.326832 0.081340401 . . 55 82 GLN N 10.735941 0.090179261 . . 56 84 ASN N 11.548126 0.10152758 . . 57 85 LEU N 11.135689 0.19220989 . . 58 86 ARG N 11.619727 0.18880985 . . 59 87 TYR N 11.753798 0.14061205 . . 60 88 GLY N 12.509863 0.15118666 . . 61 89 VAL N 12.104422 0.090185675 . . 62 90 ILE N 10.567248 0.21106632 . . 63 91 ALA N 20.776432 0.2190495 . . 64 93 GLY N 16.65892 0.24359742 . . 65 94 ASP N 11.624782 0.85356506 . . 66 95 SER N 17.077275 1.20571 . . 67 96 SER N 13.081988 0.059754208 . . 68 97 TYR N 14.869337 0.44144694 . . 69 99 ASN N 13.11692 0.16839484 . . 70 100 PHE N 25.413528 1.1461668 . . 71 105 LYS N 13.62102 0.30279147 . . 72 106 GLN N 21.764291 0.29693301 . . 73 107 PHE N 15.886694 0.072409895 . . 74 108 ASP N 12.401778 0.084847984 . . 75 109 ALA N 12.81328 0.19301998 . . 76 110 LEU N 12.68659 0.056626844 . . 77 111 LEU N 13.047566 0.17764937 . . 78 112 GLN N 13.122509 0.1248654 . . 79 113 GLU N 11.514939 0.072425564 . . 80 114 GLN N 11.791286 0.034983703 . . 81 115 SER N 12.449096 0.04359438 . . 82 116 ALA N 12.83832 0.11193755 . . 83 117 GLN N 11.056308 0.076950115 . . 84 118 ARG N 11.871449 0.15952597 . . 85 119 VAL N 11.363676 0.11962807 . . 86 120 GLY N 10.678579 0.03340486 . . 87 121 GLU N 10.780966 0.084520222 . . 88 122 MET N 10.084768 0.063281428 . . 89 123 LEU N 13.222732 0.13076238 . . 90 124 LEU N 11.883691 0.082122725 . . 91 125 ILE N 10.075555 0.16626092 . . 92 126 ASP N 13.451409 0.055154132 . . 93 127 ALA N 12.458407 0.13989371 . . 94 128 SER N 10.99071 0.18463137 . . 95 129 GLU N 10.853662 0.096734955 . . 96 130 ASN N 9.7602729 0.049297787 . . 97 132 GLU N 5.0797561 0.25327733 . . 98 134 GLU N 15.584637 0.2258927 . . 99 135 THR N 11.79676 0.090582399 . . 100 136 GLU N 10.826584 0.085516265 . . 101 137 SER N 12.026836 0.055683802 . . 102 138 ASN N 11.845816 0.052739394 . . 103 140 TRP N 12.608813 0.071879723 . . 104 141 VAL N 11.968733 0.14281338 . . 105 142 GLU N 12.620231 0.15992967 . . 106 143 GLN N 11.582302 0.048435008 . . 107 144 TRP N 11.671951 0.1564345 . . 108 145 GLY N 10.39723 0.23524445 . . 109 146 THR N 11.901901 0.13382737 . . 110 147 LEU N 11.864313 0.0476102 . . 111 148 LEU N 11.168463 0.0880132 . . 112 149 SER N 5.4727347 0.063894612 . . 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 0.828892112 0.00928342342 4 ILE 0.896476984 0.000406175852 5 GLY 0.85177356 0.00899857283 6 ILE 0.850187004 0.00104692578 7 PHE 0.845435381 0.0471738279 9 GLY 0.830221295 0.00214365125 18 VAL 0.855548203 0.0183221102 20 GLU 0.854623675 0.00277969241 21 GLU 0.858819842 0.00110945106 22 ALA 0.829022288 0.00044065711 23 GLU 0.830583572 0.00736603187 24 ALA 0.840958893 0.00896021724 25 ILE 0.879213691 0.00299972296 26 LEU 0.830785871 0.00592160225 27 THR 0.789918661 0.000727593899 28 ALA 0.838922262 0.0160959065 29 GLN 0.783873618 0.00137552619 30 GLY 0.741315544 0.0189425051 31 HIS 0.845795572 0.00171035528 32 LYS 0.840699255 0.0104644299 33 ALA 0.855679333 0.00901225209 34 THR 0.858756781 0.00157666206 35 VAL 0.848413765 0.00428378582 36 PHE 0.854535103 0.0118587911 37 GLU 0.831032276 0.00569066405 38 ASP 0.837934852 0.00512313843 40 GLU 0.854820073 0.00144690275 41 LEU 0.827809751 0.00174155831 42 SER 0.847463727 0.0094256103 43 ASP 0.852727175 0.000588595867 44 TRP 0.84041363 0.00175440311 45 LEU 0.819497049 0.0135458708 47 TYR 0.853133559 0.00766479922 48 GLN 0.851862431 0.00933858752 49 ASP 0.782125592 0.000426203012 50 LYS 0.799006343 0.014295876 51 TYR 0.849844217 0.00657850504 52 VAL 0.847677886 0.00821822882 53 LEU 0.782589018 0.00760608912 54 VAL 0.681018114 0.00765863061 55 VAL 0.817707241 0.0532446802 56 THR 0.84156245 0.00842583179 62 GLY 0.869504988 0.00760316802 68 ILE 0.858901978 0.00660774112 71 LEU 0.8178671 0.00633075833 72 PHE 0.844031274 0.00898659229 74 GLY 0.850871444 0.00843977928 75 ILE 0.853789389 0.000813215971 76 LYS 0.847565949 0.00704014301 77 ASP 0.793777049 0.00727427052 78 SER 0.858953238 0.00304937363 79 LEU 0.821071982 0.00491189957 80 GLY 0.833752275 0.00706127286 81 PHE 0.808291137 0.00663030148 82 GLN 0.844673872 0.00794267654 84 ASN 0.812822342 0.0093703866 85 LEU 0.862187445 0.00442963839 86 ARG 0.851704419 0.00159326196 87 TYR 0.832852781 0.0079229176 88 GLY 0.867285728 0.000133067369 89 VAL 0.850185692 0.0144237885 90 ILE 0.750312328 0.00472673774 91 ALA 0.785147786 0.0349917412 93 GLY 0.841994286 0.00236329436 94 ASP 0.850303471 0.00366747379 95 SER 0.783557534 0.0043925643 96 SER 0.83954227 0.00220757723 97 TYR 0.826606929 0.00303941965 99 ASN 0.89308995 0.0299471635 100 PHE 0.812086225 0.014837265 105 LYS 0.816169679 0.00212463737 106 GLN 0.738852501 0.00842630863 107 PHE 0.84547931 0.00711062551 108 ASP 0.847636521 0.0046479404 109 ALA 0.8426736 0.0105273128 110 LEU 0.824154615 0.000860720931 111 LEU 0.774413407 0.000742554665 112 GLN 0.754467189 0.00483682752 113 GLU 0.83201313 0.000734686852 114 GLN 0.842768848 0.00392499566 115 SER 0.856706381 0.000499159098 116 ALA 0.82771641 0.0222056806 117 GLN 0.842693388 0.00742721604 118 ARG 0.794680953 0.0042642951 119 VAL 0.848388791 5.620718E-05 120 GLY 0.836705267 0.00306952 121 GLU 0.811288357 0.0128360996 122 MET 0.865398645 0.00997972488 123 LEU 0.862795532 0.0151996622 124 LEU 0.866426408 0.00300213695 125 ILE 0.829426229 0.000734806061 126 ASP 0.84826982 0.0345996916 127 ALA 0.494154066 0.00648202002 128 SER 0.843311489 0.00419265032 129 GLU 0.858111858 0.0130956173 130 ASN 0.841123343 0.00631088018 132 GLU 0.833537579 0.00817036629 134 GLU 0.868705034 0.0382689238 135 THR 0.815597177 0.0180424452 136 GLU 0.843889177 0.00379818678 137 SER 0.920562506 0.00342589617 138 ASN 0.822594285 0.00216773152 140 TRP 0.784176111 0.0275276583 141 VAL 0.861004531 0.00136321783 142 GLU 0.847910523 0.0019505918 143 GLN 0.809430361 0.0019339323 144 TRP 0.368448257 0.000592321157 145 GLY 0.845448494 0.00960677862 146 THR 0.830828011 0.00306424499 147 LEU 0.839238346 0.00352418423 148 LEU 0.834077179 0.00250914693 149 SER 0.856851935 0.000551253557 stop_ save_