data_15725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15725 _Entry.Title ; 3J coupling constants related to the chi1-torsions in oxidised Flavodoxin from Desulfovibrio vulgaris (Hildenborough) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-13 _Entry.Accession_date 2008-04-13 _Entry.Last_release_date 2016-04-07 _Entry.Original_release_date 2016-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The flavodoxin protein chain starts with residue 2 (no Met-1 present), all J coupling indeces refer to the 2-148 sequence numbering ; _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.ORCID _Entry_author.Entry_ID 1 Jurgen Schmidt . M. . . 15725 2 Frank Lohr . . . . 15725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 6 15725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 749 15725 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 3 . . 2016-04-01 2008-04-13 update author 'Couplings to sidechain atom pairs HB2/3 and CG1/2 stereospecifically assigned, etc.' 15725 2 . . 2008-04-29 2008-04-13 update author 'correct experiment names, etc.' 15725 1 . . 2008-04-22 2008-04-13 original author 'original release' 15725 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15724 '3J coupling constants phi-torsion oxidized flavodoxin' 15725 BMRB 15904 '1J coupling constants related to the Ca carbons in oxidized Flavodoxin' 15725 BMRB 16579 '2J coupling constants in oxidized Flavodoxin' 15725 BMRB 26018 '3J coupling constants related to the psi-torsions in oxidized Flavodoxin' 15725 BMRB 5540 'chemical shift assignments reduced flavodoxin' 15725 BMRB 5571 'chemical shift assignments oxidized flavodoxin' 15725 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11459487 _Citation.Full_citation . _Citation.Title ; Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 123 _Citation.Journal_issue 29 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7081 _Citation.Page_last 7093 _Citation.Year 2001 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carlos Perez . . . . 15725 1 2 Frank Lohr . . . . 15725 1 3 Heinz Ruterjans . . . . 15725 1 4 Jurgen Schmidt . M. . . 15725 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Karplus parameters' 15725 1 'self-consistency approach' 15725 1 'torsion angles' 15725 1 stop_ save_ save_Archer_et_al_1991 _Citation.Sf_category citations _Citation.Sf_framecode Archer_et_al_1991 _Citation.Entry_ID 15725 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; An alternative 3D NMR technique for correlating backbone 15N with side chain Hbeta resonances in larger proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 95 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 636 _Citation.Page_last 641 _Citation.Year 1991 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Archer . J. . . 15725 2 2 M. Ikura . . . . 15725 2 3 D. Torchia . A. . . 15725 2 4 A. Bax . . . . 15725 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JN_HB measurement' 15725 2 stop_ save_ save_Grzesiek_et_al_1992 _Citation.Sf_category citations _Citation.Sf_framecode Grzesiek_et_al_1992 _Citation.Entry_ID 15725 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A 3D triple-resonance NMR technique for qualitative measurement of carbonyl-Hbeta J couplings in isotopically enriched proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 96 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 215 _Citation.Page_last 221 _Citation.Year 1992 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Grzesiek . . . . 15725 3 2 M. Ikura . . . . 15725 3 3 G. Clore . M. . . 15725 3 4 A. Gronenborn . M. . . 15725 3 5 A. Bax . . . . 15725 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOHB measurement' 15725 3 stop_ save_ save_Vuister_&_Bax_1993 _Citation.Sf_category citations _Citation.Sf_framecode Vuister_&_Bax_1993 _Citation.Entry_ID 15725 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Measurement of two- and three-bond proton to methyl-carbon J couplings in proteins uniformly enriched with 13C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 228 _Citation.Page_last 231 _Citation.Year 1993 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Vuister . W. . . 15725 4 2 A. Bax . . . . 15725 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHACG measurement' 15725 4 stop_ save_ save_Grzesiek_et_al_1995 _Citation.Sf_category citations _Citation.Sf_framecode Grzesiek_et_al_1995 _Citation.Entry_ID 15725 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Multiple-quantum line narrowing for measurement of Ha-Hb J couplings in isotopically enriched proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5312 _Citation.Page_last 5315 _Citation.Year 1995 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Grzesiek . . . . 15725 5 2 H. Kuboniwa . . . . 15725 5 3 A. Hinck . P. . . 15725 5 4 A. Bax . . . . 15725 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHAHB measurement' 15725 5 stop_ save_ save_Hu_&_Bax_1996 _Citation.Sf_category citations _Citation.Sf_framecode Hu_&_Bax_1996 _Citation.Entry_ID 15725 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Measurement of three-bond 13C-13C J couplings between carbonyl and carbonyl/carboxyl carbons in isotopically enriched proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 118 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8170 _Citation.Page_last 8171 _Citation.Year 1996 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Hu . S. . . 15725 6 2 A. Bax . . . . 15725 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JC_CG measurement in Asx residues' 15725 6 stop_ save_ save_Schmidt_et_al_1996 _Citation.Sf_category citations _Citation.Sf_framecode Schmidt_et_al_1996 _Citation.Entry_ID 15725 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8616270 _Citation.Full_citation . _Citation.Title ; Heteronuclear relayed E.COSY applied to the determination of accurate 3J(HN,C') and 3J(H beta,C') coupling constants in Desulfovibrio vulgaris flavodoxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 142 _Citation.Page_last 152 _Citation.Year 1996 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Schmidt . M. . . 15725 7 2 F. Lohr . . . . 15725 7 3 H. Ruterjans . . . . 15725 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOHB measurement' 15725 7 stop_ save_ save_Hu_&_Bax_1997a _Citation.Sf_category citations _Citation.Sf_framecode Hu_&_Bax_1997a _Citation.Entry_ID 15725 _Citation.ID 8 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9204558 _Citation.Full_citation . _Citation.Title ; Chi1 angle information from a simple two-dimensional NMR experiment that identifies trans 3JNCg couplings in isotopically enriched proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 323 _Citation.Page_last 328 _Citation.Year 1997 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Hu . S. . . 15725 8 2 A. Bax . . . . 15725 8 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JN_CG measurement' 15725 8 stop_ save_ save_Hu_&_Bax_1997b _Citation.Sf_category citations _Citation.Sf_framecode Hu_&_Bax_1997b _Citation.Entry_ID 15725 _Citation.ID 9 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Determination of phi and chi1 angles in proteins from 13C-13C three-bond J couplings measured by three-dimensional heteronuclear NMR. How planar is the peptide bond? ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 119 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6360 _Citation.Page_last 6368 _Citation.Year 1997 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Hu . S. . . 15725 9 2 A. Bax . . . . 15725 9 stop_ save_ save_Konrat_et_al_1997 _Citation.Sf_category citations _Citation.Sf_framecode Konrat_et_al_1997 _Citation.Entry_ID 15725 _Citation.ID 10 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9255945 _Citation.Full_citation . _Citation.Title ; Pulse schemes for the measurement of 3JC'C gamma and 3JNC gamma scalar couplings in 15N,13C uniformly labeled proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 409 _Citation.Page_last 422 _Citation.Year 1997 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Konrat . . . . 15725 10 2 D. Muhandiram . R. . . 15725 10 3 N. Farrow . A. . . 15725 10 4 L. Kay . E. . . 15725 10 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JC_CG measurement' 15725 10 '3JN_CG measurement' 15725 10 stop_ save_ save_Pervushin_et_al_1997 _Citation.Sf_category citations _Citation.Sf_framecode Pervushin_et_al_1997 _Citation.Entry_ID 15725 _Citation.ID 11 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9356455 _Citation.Full_citation . _Citation.Title ; Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 94 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12366 _Citation.Page_last 12371 _Citation.Year 1997 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Pervushin . . . . 15725 11 2 R. Riek . . . . 15725 11 3 G. Wider . . . . 15725 11 4 K. Wuthrich . . . . 15725 11 stop_ save_ save_Cordier_&_Grzesiek_1999 _Citation.Sf_category citations _Citation.Sf_framecode Cordier_&_Grzesiek_1999 _Citation.Entry_ID 15725 _Citation.ID 12 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Direct observation of hydrogen bonds in proteins by interresidue 3hJNC scalar couplings ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1601 _Citation.Page_last 1602 _Citation.Year 1999 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Cordier . . . . 15725 12 2 S. Grzesiek . . . . 15725 12 stop_ save_ save_Cornilescu_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Cornilescu_et_al_1999 _Citation.Entry_ID 15725 _Citation.ID 13 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Identification of the hydrogen bonding network in a protein by scalar couplings ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2949 _Citation.Page_last 2950 _Citation.Year 1999 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Cornilescu . . . . 15725 13 2 J. Hu . S. . . 15725 13 3 A. Bax . . . . 15725 13 stop_ save_ save_Lohr_et_al_1999a _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1999a _Citation.Entry_ID 15725 _Citation.ID 14 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Simultaneous measurement of 3JHN,Ha and 3JHa,Hb coupling constants in 13C,15N-labeled proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11821 _Citation.Page_last 11826 _Citation.Year 1999 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . . 15725 14 2 J. Schmidt . M. . . 15725 14 3 H. Ruterjans . . . . 15725 14 stop_ save_ save_Lohr_et_al_1999b _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1999b _Citation.Entry_ID 15725 _Citation.ID 15 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Recording heteronuclear quantitative J-correlation spectra with internal reference peaks ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bull. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9 _Citation.Page_last 14 _Citation.Year 1999 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . . 15725 15 2 C. Perez . . . . 15725 15 3 J. Schmidt . M. . . 15725 15 4 H. Ruterjans . . . . 15725 15 stop_ save_ save_Yang_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Yang_et_al_1999 _Citation.Entry_ID 15725 _Citation.ID 16 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; TROSY-based HNCO pulse sequence for the measurement of 1HN-15N, 15N-13CO, 1HN-13CO, 13CO-13Ca and 1HN-13Ca dipolar couplings in 15N, 13C, 2H-labeled proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 333 _Citation.Page_last 343 _Citation.Year 1999 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Yang . . . . 15725 16 2 R. Venters . A. . . 15725 16 3 G. Mueller . A. . . 15725 16 4 W. Choy . Y. . . 15725 16 5 L. Kay . E. . . 15725 16 stop_ save_ save_Lohr_et_al_2000 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_2000 _Citation.Entry_ID 15725 _Citation.ID 17 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11061224 _Citation.Full_citation . _Citation.Title ; Heteronuclear relayed E.COSY revisited: determination of 3J(H(alpha),C(gamma)) couplings in Asx and aromatic residues in proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13 _Citation.Page_last 22 _Citation.Year 2000 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . . 15725 17 2 C. Perez . . . . 15725 17 3 R. Kohler . . . . 15725 17 4 H. Ruterjans . . . . 15725 17 5 J. Schmidt . M. . . 15725 17 stop_ save_ save_Lohr_&_Ruterjans_2000 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_&_Ruterjans_2000 _Citation.Entry_ID 15725 _Citation.ID 18 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10968965 _Citation.Full_citation . _Citation.Title ; Efficient measurement of (3)J(N,Cgamma) and (3)J(C',Cgamma) coupling constants of aromatic residues in (13)C, (15)N-labeled proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 146 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 126 _Citation.Page_last 131 _Citation.Year 2000 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . . 15725 18 2 H. Ruterjans . . . . 15725 18 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15725 _Assembly.ID 1 _Assembly.Name 'Flavodoxin oxidized' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16300 _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 protein 1 $Flavodoxin A . yes native no no . . . 15725 1 2 ligand 2 $FMN A . no native no no . . . 15725 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JQ8 . . . 1.34 . . 15725 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'electron transfer' 15725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode Flavodoxin _Entity.Entry_ID 15725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Flavodoxin _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 ; PKALIVYGSTTGNTEYTAET IARELADAGYEVDSRDAASV EAGGLFEGFDLVLLGCSTWG DDSIELQDDFIPLFDSLEET GAQGRKVACFGCGDSSYEYF CGAVDAIEEKLKNLGAEIVQ DGLRIDGDPRAARDDIVGWA HDVRGAI ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; There is no methionine present in this protein or protein NMR sample, which can be confirmed also by the NMR properties of Pro-2. Met-1 is often an artefact and does not occur in the natural sequence. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'electron transfer' 15725 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 2 PRO . 15725 1 2 3 LYS . 15725 1 3 4 ALA . 15725 1 4 5 LEU . 15725 1 5 6 ILE . 15725 1 6 7 VAL . 15725 1 7 8 TYR . 15725 1 8 9 GLY . 15725 1 9 10 SER . 15725 1 10 11 THR . 15725 1 11 12 THR . 15725 1 12 13 GLY . 15725 1 13 14 ASN . 15725 1 14 15 THR . 15725 1 15 16 GLU . 15725 1 16 17 TYR . 15725 1 17 18 THR . 15725 1 18 19 ALA . 15725 1 19 20 GLU . 15725 1 20 21 THR . 15725 1 21 22 ILE . 15725 1 22 23 ALA . 15725 1 23 24 ARG . 15725 1 24 25 GLU . 15725 1 25 26 LEU . 15725 1 26 27 ALA . 15725 1 27 28 ASP . 15725 1 28 29 ALA . 15725 1 29 30 GLY . 15725 1 30 31 TYR . 15725 1 31 32 GLU . 15725 1 32 33 VAL . 15725 1 33 34 ASP . 15725 1 34 35 SER . 15725 1 35 36 ARG . 15725 1 36 37 ASP . 15725 1 37 38 ALA . 15725 1 38 39 ALA . 15725 1 39 40 SER . 15725 1 40 41 VAL . 15725 1 41 42 GLU . 15725 1 42 43 ALA . 15725 1 43 44 GLY . 15725 1 44 45 GLY . 15725 1 45 46 LEU . 15725 1 46 47 PHE . 15725 1 47 48 GLU . 15725 1 48 49 GLY . 15725 1 49 50 PHE . 15725 1 50 51 ASP . 15725 1 51 52 LEU . 15725 1 52 53 VAL . 15725 1 53 54 LEU . 15725 1 54 55 LEU . 15725 1 55 56 GLY . 15725 1 56 57 CYS . 15725 1 57 58 SER . 15725 1 58 59 THR . 15725 1 59 60 TRP . 15725 1 60 61 GLY . 15725 1 61 62 ASP . 15725 1 62 63 ASP . 15725 1 63 64 SER . 15725 1 64 65 ILE . 15725 1 65 66 GLU . 15725 1 66 67 LEU . 15725 1 67 68 GLN . 15725 1 68 69 ASP . 15725 1 69 70 ASP . 15725 1 70 71 PHE . 15725 1 71 72 ILE . 15725 1 72 73 PRO . 15725 1 73 74 LEU . 15725 1 74 75 PHE . 15725 1 75 76 ASP . 15725 1 76 77 SER . 15725 1 77 78 LEU . 15725 1 78 79 GLU . 15725 1 79 80 GLU . 15725 1 80 81 THR . 15725 1 81 82 GLY . 15725 1 82 83 ALA . 15725 1 83 84 GLN . 15725 1 84 85 GLY . 15725 1 85 86 ARG . 15725 1 86 87 LYS . 15725 1 87 88 VAL . 15725 1 88 89 ALA . 15725 1 89 90 CYS . 15725 1 90 91 PHE . 15725 1 91 92 GLY . 15725 1 92 93 CYS . 15725 1 93 94 GLY . 15725 1 94 95 ASP . 15725 1 95 96 SER . 15725 1 96 97 SER . 15725 1 97 98 TYR . 15725 1 98 99 GLU . 15725 1 99 100 TYR . 15725 1 100 101 PHE . 15725 1 101 102 CYS . 15725 1 102 103 GLY . 15725 1 103 104 ALA . 15725 1 104 105 VAL . 15725 1 105 106 ASP . 15725 1 106 107 ALA . 15725 1 107 108 ILE . 15725 1 108 109 GLU . 15725 1 109 110 GLU . 15725 1 110 111 LYS . 15725 1 111 112 LEU . 15725 1 112 113 LYS . 15725 1 113 114 ASN . 15725 1 114 115 LEU . 15725 1 115 116 GLY . 15725 1 116 117 ALA . 15725 1 117 118 GLU . 15725 1 118 119 ILE . 15725 1 119 120 VAL . 15725 1 120 121 GLN . 15725 1 121 122 ASP . 15725 1 122 123 GLY . 15725 1 123 124 LEU . 15725 1 124 125 ARG . 15725 1 125 126 ILE . 15725 1 126 127 ASP . 15725 1 127 128 GLY . 15725 1 128 129 ASP . 15725 1 129 130 PRO . 15725 1 130 131 ARG . 15725 1 131 132 ALA . 15725 1 132 133 ALA . 15725 1 133 134 ARG . 15725 1 134 135 ASP . 15725 1 135 136 ASP . 15725 1 136 137 ILE . 15725 1 137 138 VAL . 15725 1 138 139 GLY . 15725 1 139 140 TRP . 15725 1 140 141 ALA . 15725 1 141 142 HIS . 15725 1 142 143 ASP . 15725 1 143 144 VAL . 15725 1 144 145 ARG . 15725 1 145 146 GLY . 15725 1 146 147 ALA . 15725 1 147 148 ILE . 15725 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 . PRO 1 1 15725 1 . LYS 2 2 15725 1 . ALA 3 3 15725 1 . LEU 4 4 15725 1 . ILE 5 5 15725 1 . VAL 6 6 15725 1 . TYR 7 7 15725 1 . GLY 8 8 15725 1 . SER 9 9 15725 1 . THR 10 10 15725 1 . THR 11 11 15725 1 . GLY 12 12 15725 1 . ASN 13 13 15725 1 . THR 14 14 15725 1 . GLU 15 15 15725 1 . TYR 16 16 15725 1 . THR 17 17 15725 1 . ALA 18 18 15725 1 . GLU 19 19 15725 1 . THR 20 20 15725 1 . ILE 21 21 15725 1 . ALA 22 22 15725 1 . ARG 23 23 15725 1 . GLU 24 24 15725 1 . LEU 25 25 15725 1 . ALA 26 26 15725 1 . ASP 27 27 15725 1 . ALA 28 28 15725 1 . GLY 29 29 15725 1 . TYR 30 30 15725 1 . GLU 31 31 15725 1 . VAL 32 32 15725 1 . ASP 33 33 15725 1 . SER 34 34 15725 1 . ARG 35 35 15725 1 . ASP 36 36 15725 1 . ALA 37 37 15725 1 . ALA 38 38 15725 1 . SER 39 39 15725 1 . VAL 40 40 15725 1 . GLU 41 41 15725 1 . ALA 42 42 15725 1 . GLY 43 43 15725 1 . GLY 44 44 15725 1 . LEU 45 45 15725 1 . PHE 46 46 15725 1 . GLU 47 47 15725 1 . GLY 48 48 15725 1 . PHE 49 49 15725 1 . ASP 50 50 15725 1 . LEU 51 51 15725 1 . VAL 52 52 15725 1 . LEU 53 53 15725 1 . LEU 54 54 15725 1 . GLY 55 55 15725 1 . CYS 56 56 15725 1 . SER 57 57 15725 1 . THR 58 58 15725 1 . TRP 59 59 15725 1 . GLY 60 60 15725 1 . ASP 61 61 15725 1 . ASP 62 62 15725 1 . SER 63 63 15725 1 . ILE 64 64 15725 1 . GLU 65 65 15725 1 . LEU 66 66 15725 1 . GLN 67 67 15725 1 . ASP 68 68 15725 1 . ASP 69 69 15725 1 . PHE 70 70 15725 1 . ILE 71 71 15725 1 . PRO 72 72 15725 1 . LEU 73 73 15725 1 . PHE 74 74 15725 1 . ASP 75 75 15725 1 . SER 76 76 15725 1 . LEU 77 77 15725 1 . GLU 78 78 15725 1 . GLU 79 79 15725 1 . THR 80 80 15725 1 . GLY 81 81 15725 1 . ALA 82 82 15725 1 . GLN 83 83 15725 1 . GLY 84 84 15725 1 . ARG 85 85 15725 1 . LYS 86 86 15725 1 . VAL 87 87 15725 1 . ALA 88 88 15725 1 . CYS 89 89 15725 1 . PHE 90 90 15725 1 . GLY 91 91 15725 1 . CYS 92 92 15725 1 . GLY 93 93 15725 1 . ASP 94 94 15725 1 . SER 95 95 15725 1 . SER 96 96 15725 1 . TYR 97 97 15725 1 . GLU 98 98 15725 1 . TYR 99 99 15725 1 . PHE 100 100 15725 1 . CYS 101 101 15725 1 . GLY 102 102 15725 1 . ALA 103 103 15725 1 . VAL 104 104 15725 1 . ASP 105 105 15725 1 . ALA 106 106 15725 1 . ILE 107 107 15725 1 . GLU 108 108 15725 1 . GLU 109 109 15725 1 . LYS 110 110 15725 1 . LEU 111 111 15725 1 . LYS 112 112 15725 1 . ASN 113 113 15725 1 . LEU 114 114 15725 1 . GLY 115 115 15725 1 . ALA 116 116 15725 1 . GLU 117 117 15725 1 . ILE 118 118 15725 1 . VAL 119 119 15725 1 . GLN 120 120 15725 1 . ASP 121 121 15725 1 . GLY 122 122 15725 1 . LEU 123 123 15725 1 . ARG 124 124 15725 1 . ILE 125 125 15725 1 . ASP 126 126 15725 1 . GLY 127 127 15725 1 . ASP 128 128 15725 1 . PRO 129 129 15725 1 . ARG 130 130 15725 1 . ALA 131 131 15725 1 . ALA 132 132 15725 1 . ARG 133 133 15725 1 . ASP 134 134 15725 1 . ASP 135 135 15725 1 . ILE 136 136 15725 1 . VAL 137 137 15725 1 . GLY 138 138 15725 1 . TRP 139 139 15725 1 . ALA 140 140 15725 1 . HIS 141 141 15725 1 . ASP 142 142 15725 1 . VAL 143 143 15725 1 . ARG 144 144 15725 1 . GLY 145 145 15725 1 . ALA 146 146 15725 1 . ILE 147 147 15725 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 15725 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . FMN . 15725 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15725 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Flavodoxin . 881 organism . 'Desulfovibrio vulgaris' 'Desulfovibrio vulgaris' . . Bacteria . Desulfovibrio vulgaris Hildenborough . . . . . . . . . . . . 15725 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 15725 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Flavodoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TG2 . . . . . pDKFL300 . . . 15725 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 15725 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2016-02-17 _Chem_comp.Modified_date 2016-02-17 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.385 15725 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.385 15725 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 15725 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 15725 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 15725 FMN ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; InChI InChI 1.03 15725 FMN N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O SMILES ACDLabs 12.01 15725 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 12.01 15725 FMN '[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 15725 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 33.864 . 7.225 . 13.583 . 2.118 -2.493 0.531 1 . 15725 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 33.031 . 6.319 . 13.062 . 2.713 -3.638 0.206 2 . 15725 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . 2.122 -4.677 0.445 3 . 15725 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 31.974 . 6.721 . 12.176 . 3.921 -3.721 -0.368 4 . 15725 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 31.788 . 8.007 . 11.826 . 4.636 -2.610 -0.664 5 . 15725 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . 5.732 -2.682 -1.185 6 . 15725 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 no no . . . . 32.736 . 8.990 . 12.357 . 4.027 -1.305 -0.325 7 . 15725 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 no no . . . . 32.559 . 10.279 . 12.130 . 4.631 -0.170 -0.566 8 . 15725 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 4.051 0.995 -0.246 9 . 15725 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 4.718 2.206 -0.514 10 . 15725 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 4.131 3.392 -0.190 11 . 15725 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.850 4.683 -0.480 12 . 15725 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 2.874 3.423 0.405 13 . 15725 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 2.246 4.748 0.752 14 . 15725 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.197 2.255 0.678 15 . 15725 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 2.774 1.029 0.359 16 . 15725 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 no no . . . . 34.557 . 9.434 . 13.883 . 2.101 -0.144 0.631 17 . 15725 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 33.786 . 8.495 . 13.263 . 2.695 -1.325 0.304 18 . 15725 FMN C1' C1' C1' C1' . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.777 -0.119 1.258 19 . 15725 FMN C2' C2' C2' C2' . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.300 -0.060 0.173 20 . 15725 FMN O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -0.122 1.121 -0.611 21 . 15725 FMN C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . -1.683 -0.035 0.827 22 . 15725 FMN O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . -1.860 -1.217 1.611 23 . 15725 FMN C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -2.760 0.024 -0.258 24 . 15725 FMN O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -2.582 1.206 -1.042 25 . 15725 FMN C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . -4.142 0.049 0.397 26 . 15725 FMN O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -5.149 -0.013 -0.615 27 . 15725 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . -6.725 -0.007 -0.285 28 . 15725 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -7.053 1.180 0.536 29 . 15725 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . -7.561 0.045 -1.660 30 . 15725 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . -7.109 -1.344 0.526 31 . 15725 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.358 . 6.024 . 11.808 . 4.291 -4.593 -0.577 32 . 15725 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.417 . 12.933 . 11.737 . 5.695 2.195 -0.975 33 . 15725 FMN HM71 HM71 HM71 HM71 . H . . N 0 . . . 0 no no . . . . 32.733 . 15.283 . 13.876 . 4.585 5.031 -1.479 34 . 15725 FMN HM72 HM72 HM72 HM72 . H . . N 0 . . . 0 no no . . . . 34.403 . 15.604 . 13.297 . 4.560 5.434 0.255 35 . 15725 FMN HM73 HM73 HM73 HM73 . H . . N 0 . . . 0 no no . . . . 33.098 . 15.240 . 12.118 . 5.927 4.520 -0.427 36 . 15725 FMN HM81 HM81 HM81 HM81 . H . . N 0 . . . 0 no no . . . . 35.406 . 14.366 . 15.769 . 1.656 5.103 -0.093 37 . 15725 FMN HM82 HM82 HM82 HM82 . H . . N 0 . . . 0 no no . . . . 36.813 . 13.673 . 14.893 . 1.599 4.627 1.622 38 . 15725 FMN HM83 HM83 HM83 HM83 . H . . N 0 . . . 0 no no . . . . 35.883 . 15.028 . 14.169 . 3.028 5.473 0.979 39 . 15725 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 35.982 . 11.500 . 14.901 . 1.222 2.290 1.141 40 . 15725 FMN H1'1 H1'1 H1'1 H1'1 . H . . N 0 . . . 0 no no . . . . 36.043 . 8.023 . 14.466 . 0.642 -1.021 1.856 41 . 15725 FMN H1'2 H1'2 H1'2 H1'2 . H . . N 0 . . . 0 no no . . . . 36.313 . 9.696 . 15.061 . 0.695 0.758 1.899 42 . 15725 FMN H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 33.900 . 7.985 . 15.916 . -0.218 -0.938 -0.469 43 . 15725 FMN HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 33.943 . 9.644 . 17.597 . -0.183 1.942 -0.104 44 . 15725 FMN H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 35.100 . 7.613 . 18.061 . -1.765 0.842 1.469 45 . 15725 FMN HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 37.407 . 8.198 . 18.101 . -1.800 -2.038 1.104 46 . 15725 FMN H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 37.039 . 6.727 . 15.897 . -2.677 -0.853 -0.900 47 . 15725 FMN HO4' HO4' HO4' HO4' . H . . N 0 . . . 0 no no . . . . 35.488 . 4.988 . 15.561 . -2.642 2.027 -0.535 48 . 15725 FMN H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 37.175 . 4.730 . 17.299 . -4.244 -0.807 1.064 49 . 15725 FMN H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 37.458 . 6.185 . 18.312 . -4.257 0.971 0.967 50 . 15725 FMN HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 no no . . . . 37.533 . 3.487 . 20.251 . -8.520 0.051 -1.537 51 . 15725 FMN HOP3 HOP3 HOP3 HOP3 . H . . N 0 . . . 0 no no . . . . 34.244 . 4.849 . 21.309 . -6.921 -2.162 0.047 52 . 15725 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 no N 1 . 15725 FMN 2 . DOUB N1 C10 no N 2 . 15725 FMN 3 . DOUB C2 O2 no N 3 . 15725 FMN 4 . SING C2 N3 no N 4 . 15725 FMN 5 . SING N3 C4 no N 5 . 15725 FMN 6 . SING N3 HN3 no N 6 . 15725 FMN 7 . DOUB C4 O4 no N 7 . 15725 FMN 8 . SING C4 C4A no N 8 . 15725 FMN 9 . DOUB C4A N5 no N 9 . 15725 FMN 10 . SING C4A C10 no N 10 . 15725 FMN 11 . SING N5 C5A no N 11 . 15725 FMN 12 . DOUB C5A C6 yes N 12 . 15725 FMN 13 . SING C5A C9A yes N 13 . 15725 FMN 14 . SING C6 C7 yes N 14 . 15725 FMN 15 . SING C6 H6 no N 15 . 15725 FMN 16 . SING C7 C7M no N 16 . 15725 FMN 17 . DOUB C7 C8 yes N 17 . 15725 FMN 18 . SING C7M HM71 no N 18 . 15725 FMN 19 . SING C7M HM72 no N 19 . 15725 FMN 20 . SING C7M HM73 no N 20 . 15725 FMN 21 . SING C8 C8M no N 21 . 15725 FMN 22 . SING C8 C9 yes N 22 . 15725 FMN 23 . SING C8M HM81 no N 23 . 15725 FMN 24 . SING C8M HM82 no N 24 . 15725 FMN 25 . SING C8M HM83 no N 25 . 15725 FMN 26 . DOUB C9 C9A yes N 26 . 15725 FMN 27 . SING C9 H9 no N 27 . 15725 FMN 28 . SING C9A N10 no N 28 . 15725 FMN 29 . SING N10 C10 no N 29 . 15725 FMN 30 . SING N10 C1' no N 30 . 15725 FMN 31 . SING C1' C2' no N 31 . 15725 FMN 32 . SING C1' H1'1 no N 32 . 15725 FMN 33 . SING C1' H1'2 no N 33 . 15725 FMN 34 . SING C2' O2' no N 34 . 15725 FMN 35 . SING C2' C3' no N 35 . 15725 FMN 36 . SING C2' H2' no N 36 . 15725 FMN 37 . SING O2' HO2' no N 37 . 15725 FMN 38 . SING C3' O3' no N 38 . 15725 FMN 39 . SING C3' C4' no N 39 . 15725 FMN 40 . SING C3' H3' no N 40 . 15725 FMN 41 . SING O3' HO3' no N 41 . 15725 FMN 42 . SING C4' O4' no N 42 . 15725 FMN 43 . SING C4' C5' no N 43 . 15725 FMN 44 . SING C4' H4' no N 44 . 15725 FMN 45 . SING O4' HO4' no N 45 . 15725 FMN 46 . SING C5' O5' no N 46 . 15725 FMN 47 . SING C5' H5'1 no N 47 . 15725 FMN 48 . SING C5' H5'2 no N 48 . 15725 FMN 49 . SING O5' P no N 49 . 15725 FMN 50 . DOUB P O1P no N 50 . 15725 FMN 51 . SING P O2P no N 51 . 15725 FMN 52 . SING P O3P no N 52 . 15725 FMN 53 . SING O2P HOP2 no N 53 . 15725 FMN 54 . SING O3P HOP3 no N 54 . 15725 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_doubly_labeled _Sample.Sf_category sample _Sample.Sf_framecode doubly_labeled _Sample.Entry_ID 15725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Flavodoxin '[U-98% 13C; U-98% 15N]' . . 1 $Flavodoxin . . 2.1 . . mM . . . . 15725 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15725 1 3 D2O . . . . . . . 5 . . % . . . . 15725 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15725 1 stop_ save_ save_singly_labeled _Sample.Sf_category sample _Sample.Sf_framecode singly_labeled _Sample.Entry_ID 15725 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Flavodoxin '[U-98% 15N]' . . 1 $Flavodoxin . . 4.5 . . mM . . . . 15725 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15725 2 3 D2O . . . . . . . 5 . . % . . . . 15725 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15725 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15725 _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 pH 7.0 . pH 15725 1 pressure 1 . atm 15725 1 temperature 300 . K 15725 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 15725 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15725 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15725 1 processing 15725 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 15725 _Software.ID 2 _Software.Name jeval _Software.Version . _Software.Details ; Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JM Schmidt' 'Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom' j.m.schmidt@kent.ac.uk 15725 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 15725 2 'data analysis' 15725 2 'multiplet simulation' 15725 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'PFG accessories' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15725 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'PFG accessories' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15725 _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 DMX . 600 'PFG accessories' . . 15725 1 2 spectrometer_2 Bruker DRX . 800 'PFG accessories' . . 15725 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 15725 _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 '3D HA[HN,HB](CACO)NH' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 2 '3D HACAHB' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 3 '3D HNHB' no . . . . . . . . . . 2 $singly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 4 '3D HN(CO)HB modified' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 5 '3D ct-HMQC-COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 6 '3D HCGHA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 7 '3D ct-HTQC-COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15725 1 8 '3D [15N,1H]-TROSY-HNCG' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15725 1 9 '3D [15N,1H]-TROSY-HN(CO)CG' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 10 '3D HNCO modified' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 11 '3D HN(CO)CO' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15725 1 stop_ save_ ######################## # Coupling constants # ######################## save_3JHAHB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHAHB _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '3D HA[HN,HB](CACO)NH' . . . 15725 1 2 '3D HACAHB' . . . 15725 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHAHB . 1 1 1 1 PRO HA H 1 . . 1 1 1 1 PRO HB2 H 1 . 5.81 . . 0.50 . . . 2 Pro HA . 2 Pro HB2 . 15725 1 2 3JHAHB . 1 1 1 1 PRO HA H 1 . . 1 1 1 1 PRO HB3 H 1 . 8.02 . . 0.50 . . . 2 Pro HA . 2 Pro HB3 . 15725 1 3 3JHAHB . 1 1 2 2 LYS HA H 1 . . 1 1 2 2 LYS HB2 H 1 . 8.57 . . 0.50 . . . 3 Lys HA . 3 Lys HB2 . 15725 1 4 3JHAHB . 1 1 2 2 LYS HA H 1 . . 1 1 2 2 LYS HB3 H 1 . 5.29 . . 0.50 . . . 3 Lys HA . 3 Lys HB3 . 15725 1 5 3JHAHB . 1 1 3 3 ALA HA H 1 . . 1 1 3 3 ALA HB H 1 . 5.98 . . 0.50 . . . 4 Ala HA . 4 Ala HB . 15725 1 6 3JHAHB . 1 1 4 4 LEU HA H 1 . . 1 1 4 4 LEU HB2 H 1 . 3.87 . . 0.50 . . . 5 Leu HA . 5 Leu HB2 . 15725 1 7 3JHAHB . 1 1 4 4 LEU HA H 1 . . 1 1 4 4 LEU HB3 H 1 . 9.90 . . 0.50 . . . 5 Leu HA . 5 Leu HB3 . 15725 1 8 3JHAHB . 1 1 5 5 ILE HA H 1 . . 1 1 5 5 ILE HB H 1 . 9.73 . . 0.50 . . . 6 Ile HA . 6 Ile HB . 15725 1 9 3JHAHB . 1 1 6 6 VAL HA H 1 . . 1 1 6 6 VAL HB H 1 . 8.91 . . 0.50 . . . 7 Val HA . 7 Val HB . 15725 1 10 3JHAHB . 1 1 9 9 SER HA H 1 . . 1 1 9 9 SER HB2 H 1 . 4.55 . . 0.50 . . . 10 Ser HA . 10 Ser HB2 . 15725 1 11 3JHAHB . 1 1 9 9 SER HA H 1 . . 1 1 9 9 SER HB3 H 1 . 8.95 . . 0.50 . . . 10 Ser HA . 10 Ser HB3 . 15725 1 12 3JHAHB . 1 1 10 10 THR HA H 1 . . 1 1 10 10 THR HB H 1 . 8.33 . . 0.50 . . . 11 Thr HA . 11 Thr HB . 15725 1 13 3JHAHB . 1 1 11 11 THR HA H 1 . . 1 1 11 11 THR HB H 1 . 3.82 . . 0.50 . . . 12 Thr HA . 12 Thr HB . 15725 1 14 3JHAHB . 1 1 13 13 ASN HA H 1 . . 1 1 13 13 ASN HB2 H 1 . 9.61 . . 0.50 . . . 14 Asn HA . 14 Asn HB2 . 15725 1 15 3JHAHB . 1 1 13 13 ASN HA H 1 . . 1 1 13 13 ASN HB3 H 1 . 4.12 . . 0.50 . . . 14 Asn HA . 14 Asn HB3 . 15725 1 16 3JHAHB . 1 1 14 14 THR HA H 1 . . 1 1 14 14 THR HB H 1 . 7.20 . . 0.50 . . . 15 Thr HA . 15 Thr HB . 15725 1 17 3JHAHB . 1 1 15 15 GLU HA H 1 . . 1 1 15 15 GLU HB2 H 1 . 4.39 . . 0.50 . . . 16 Glu HA . 16 Glu HB2 . 15725 1 18 3JHAHB . 1 1 15 15 GLU HA H 1 . . 1 1 15 15 GLU HB3 H 1 . 9.22 . . 0.50 . . . 16 Glu HA . 16 Glu HB3 . 15725 1 19 3JHAHB . 1 1 16 16 TYR HA H 1 . . 1 1 16 16 TYR HB2 H 1 . 5.73 . . 0.50 . . . 17 Tyr HA . 17 Tyr HB2 . 15725 1 20 3JHAHB . 1 1 16 16 TYR HA H 1 . . 1 1 16 16 TYR HB3 H 1 . 8.10 . . 0.50 . . . 17 Tyr HA . 17 Tyr HB3 . 15725 1 21 3JHAHB . 1 1 17 17 THR HA H 1 . . 1 1 17 17 THR HB H 1 . 10.00 . . 0.50 . . . 18 Thr HA . 18 Thr HB . 15725 1 22 3JHAHB . 1 1 18 18 ALA HA H 1 . . 1 1 18 18 ALA HB H 1 . 5.79 . . 0.50 . . . 19 Ala HA . 19 Ala HB . 15725 1 23 3JHAHB . 1 1 19 19 GLU HA H 1 . . 1 1 19 19 GLU HB2 H 1 . 7.49 . . 0.50 . . . 20 Glu HA . 20 Glu HB2 . 15725 1 24 3JHAHB . 1 1 19 19 GLU HA H 1 . . 1 1 19 19 GLU HB3 H 1 . 5.59 . . 0.50 . . . 20 Glu HA . 20 Glu HB3 . 15725 1 25 3JHAHB . 1 1 20 20 THR HA H 1 . . 1 1 20 20 THR HB H 1 . 8.22 . . 0.50 . . . 21 Thr HA . 21 Thr HB . 15725 1 26 3JHAHB . 1 1 21 21 ILE HA H 1 . . 1 1 21 21 ILE HB H 1 . 9.79 . . 0.50 . . . 22 Ile HA . 22 Ile HB . 15725 1 27 3JHAHB . 1 1 22 22 ALA HA H 1 . . 1 1 22 22 ALA HB H 1 . 5.74 . . 0.50 . . . 23 Ala HA . 23 Ala HB . 15725 1 28 3JHAHB . 1 1 23 23 ARG HA H 1 . . 1 1 23 23 ARG HB2 H 1 . 7.47 . . 0.50 . . . 24 Arg HA . 24 Arg HB2 . 15725 1 29 3JHAHB . 1 1 23 23 ARG HA H 1 . . 1 1 23 23 ARG HB3 H 1 . 8.07 . . 0.50 . . . 24 Arg HA . 24 Arg HB3 . 15725 1 30 3JHAHB . 1 1 24 24 GLU HA H 1 . . 1 1 24 24 GLU HB2 H 1 . 7.40 . . 0.50 . . . 25 Glu HA . 25 Glu HB2 . 15725 1 31 3JHAHB . 1 1 24 24 GLU HA H 1 . . 1 1 24 24 GLU HB3 H 1 . 4.46 . . 0.50 . . . 25 Glu HA . 25 Glu HB3 . 15725 1 32 3JHAHB . 1 1 25 25 LEU HA H 1 . . 1 1 25 25 LEU HB2 H 1 . 9.89 . . 0.50 . . . 26 Leu HA . 26 Leu HB2 . 15725 1 33 3JHAHB . 1 1 25 25 LEU HA H 1 . . 1 1 25 25 LEU HB3 H 1 . 3.08 . . 0.50 . . . 26 Leu HA . 26 Leu HB3 . 15725 1 34 3JHAHB . 1 1 26 26 ALA HA H 1 . . 1 1 26 26 ALA HB H 1 . 6.04 . . 0.50 . . . 27 Ala HA . 27 Ala HB . 15725 1 35 3JHAHB . 1 1 27 27 ASP HA H 1 . . 1 1 27 27 ASP HB2 H 1 . 8.79 . . 0.50 . . . 28 Asp HA . 28 Asp HB2 . 15725 1 36 3JHAHB . 1 1 27 27 ASP HA H 1 . . 1 1 27 27 ASP HB3 H 1 . 3.93 . . 0.50 . . . 28 Asp HA . 28 Asp HB3 . 15725 1 37 3JHAHB . 1 1 28 28 ALA HA H 1 . . 1 1 28 28 ALA HB H 1 . 5.76 . . 0.50 . . . 29 Ala HA . 29 Ala HB . 15725 1 38 3JHAHB . 1 1 30 30 TYR HA H 1 . . 1 1 30 30 TYR HB2 H 1 . 8.83 . . 0.50 . . . 31 Tyr HA . 31 Tyr HB2 . 15725 1 39 3JHAHB . 1 1 30 30 TYR HA H 1 . . 1 1 30 30 TYR HB3 H 1 . 3.15 . . 0.50 . . . 31 Tyr HA . 31 Tyr HB3 . 15725 1 40 3JHAHB . 1 1 31 31 GLU HA H 1 . . 1 1 31 31 GLU HB3 H 1 . 7.80 . . 0.50 . . . 32 Glu HA . 32 Glu HB3 . 15725 1 41 3JHAHB . 1 1 32 32 VAL HA H 1 . . 1 1 32 32 VAL HB H 1 . 9.20 . . 0.50 . . . 33 Val HA . 33 Val HB . 15725 1 42 3JHAHB . 1 1 33 33 ASP HA H 1 . . 1 1 33 33 ASP HB2 H 1 . 4.77 . . 0.50 . . . 34 Asp HA . 34 Asp HB2 . 15725 1 43 3JHAHB . 1 1 33 33 ASP HA H 1 . . 1 1 33 33 ASP HB3 H 1 . 8.71 . . 0.50 . . . 34 Asp HA . 34 Asp HB3 . 15725 1 44 3JHAHB . 1 1 34 34 SER HA H 1 . . 1 1 34 34 SER HB2 H 1 . 5.56 . . 0.50 . . . 35 Ser HA . 35 Ser HB2 . 15725 1 45 3JHAHB . 1 1 34 34 SER HA H 1 . . 1 1 34 34 SER HB3 H 1 . 7.74 . . 0.50 . . . 35 Ser HA . 35 Ser HB3 . 15725 1 46 3JHAHB . 1 1 35 35 ARG HA H 1 . . 1 1 35 35 ARG HB2 H 1 . 11.16 . . 0.50 . . . 36 Arg HA . 36 Arg HB2 . 15725 1 47 3JHAHB . 1 1 35 35 ARG HA H 1 . . 1 1 35 35 ARG HB3 H 1 . 4.92 . . 0.50 . . . 36 Arg HA . 36 Arg HB3 . 15725 1 48 3JHAHB . 1 1 37 37 ALA HA H 1 . . 1 1 37 37 ALA HB H 1 . 5.84 . . 0.50 . . . 38 Ala HA . 38 Ala HB . 15725 1 49 3JHAHB . 1 1 38 38 ALA HA H 1 . . 1 1 38 38 ALA HB H 1 . 6.15 . . 0.50 . . . 39 Ala HA . 39 Ala HB . 15725 1 50 3JHAHB . 1 1 39 39 SER HA H 1 . . 1 1 39 39 SER HB2 H 1 . 5.14 . . 0.50 . . . 40 Ser HA . 40 Ser HB2 . 15725 1 51 3JHAHB . 1 1 39 39 SER HA H 1 . . 1 1 39 39 SER HB3 H 1 . 2.50 . . 0.50 . . . 40 Ser HA . 40 Ser HB3 . 15725 1 52 3JHAHB . 1 1 40 40 VAL HA H 1 . . 1 1 40 40 VAL HB H 1 . 3.90 . . 0.50 . . . 41 Val HA . 41 Val HB . 15725 1 53 3JHAHB . 1 1 41 41 GLU HA H 1 . . 1 1 41 41 GLU HB2 H 1 . 9.22 . . 0.50 . . . 42 Glu HA . 42 Glu HB2 . 15725 1 54 3JHAHB . 1 1 41 41 GLU HA H 1 . . 1 1 41 41 GLU HB3 H 1 . 5.02 . . 0.50 . . . 42 Glu HA . 42 Glu HB3 . 15725 1 55 3JHAHB . 1 1 42 42 ALA HA H 1 . . 1 1 42 42 ALA HB H 1 . 6.10 . . 0.50 . . . 43 Ala HA . 43 Ala HB . 15725 1 56 3JHAHB . 1 1 45 45 LEU HA H 1 . . 1 1 45 45 LEU HB2 H 1 . 4.27 . . 0.50 . . . 46 Leu HA . 46 Leu HB2 . 15725 1 57 3JHAHB . 1 1 45 45 LEU HA H 1 . . 1 1 45 45 LEU HB3 H 1 . 9.59 . . 0.50 . . . 46 Leu HA . 46 Leu HB3 . 15725 1 58 3JHAHB . 1 1 46 46 PHE HA H 1 . . 1 1 46 46 PHE HB2 H 1 . 11.30 . . 0.50 . . . 47 Phe HA . 47 Phe HB2 . 15725 1 59 3JHAHB . 1 1 46 46 PHE HA H 1 . . 1 1 46 46 PHE HB3 H 1 . 5.16 . . 0.50 . . . 47 Phe HA . 47 Phe HB3 . 15725 1 60 3JHAHB . 1 1 49 49 PHE HA H 1 . . 1 1 49 49 PHE HB2 H 1 . 10.39 . . 0.50 . . . 50 Phe HA . 50 Phe HB2 . 15725 1 61 3JHAHB . 1 1 50 50 ASP HA H 1 . . 1 1 50 50 ASP HB2 H 1 . 11.25 . . 0.50 . . . 51 Asp HA . 51 Asp HB2 . 15725 1 62 3JHAHB . 1 1 50 50 ASP HA H 1 . . 1 1 50 50 ASP HB3 H 1 . 5.48 . . 0.50 . . . 51 Asp HA . 51 Asp HB3 . 15725 1 63 3JHAHB . 1 1 52 52 VAL HA H 1 . . 1 1 52 52 VAL HB H 1 . 9.39 . . 0.50 . . . 53 Val HA . 53 Val HB . 15725 1 64 3JHAHB . 1 1 53 53 LEU HA H 1 . . 1 1 53 53 LEU HB2 H 1 . 10.32 . . 0.50 . . . 54 Leu HA . 54 Leu HB2 . 15725 1 65 3JHAHB . 1 1 53 53 LEU HA H 1 . . 1 1 53 53 LEU HB3 H 1 . 4.16 . . 0.50 . . . 54 Leu HA . 54 Leu HB3 . 15725 1 66 3JHAHB . 1 1 54 54 LEU HA H 1 . . 1 1 54 54 LEU HB2 H 1 . 10.21 . . 0.50 . . . 55 Leu HA . 55 Leu HB2 . 15725 1 67 3JHAHB . 1 1 54 54 LEU HA H 1 . . 1 1 54 54 LEU HB3 H 1 . 2.72 . . 0.50 . . . 55 Leu HA . 55 Leu HB3 . 15725 1 68 3JHAHB . 1 1 56 56 CYS HA H 1 . . 1 1 56 56 CYS HB2 H 1 . 2.70 . . 0.50 . . . 57 Cys HA . 57 Cys HB2 . 15725 1 69 3JHAHB . 1 1 56 56 CYS HA H 1 . . 1 1 56 56 CYS HB3 H 1 . 6.74 . . 0.50 . . . 57 Cys HA . 57 Cys HB3 . 15725 1 70 3JHAHB . 1 1 57 57 SER HA H 1 . . 1 1 57 57 SER HB2 H 1 . 4.00 . . 0.50 . . . 58 Ser HA . 58 Ser HB2 . 15725 1 71 3JHAHB . 1 1 57 57 SER HA H 1 . . 1 1 57 57 SER HB3 H 1 . 4.00 . . 0.50 . . . 58 Ser HA . 58 Ser HB3 . 15725 1 72 3JHAHB . 1 1 58 58 THR HA H 1 . . 1 1 58 58 THR HB H 1 . 8.76 . . 0.50 . . . 59 Thr HA . 59 Thr HB . 15725 1 73 3JHAHB . 1 1 59 59 TRP HA H 1 . . 1 1 59 59 TRP HB2 H 1 . 10.06 . . 0.50 . . . 60 Trp HA . 60 Trp HB2 . 15725 1 74 3JHAHB . 1 1 59 59 TRP HA H 1 . . 1 1 59 59 TRP HB3 H 1 . 5.07 . . 0.50 . . . 60 Trp HA . 60 Trp HB3 . 15725 1 75 3JHAHB . 1 1 61 61 ASP HA H 1 . . 1 1 61 61 ASP HB2 H 1 . 7.94 . . 0.50 . . . 62 Asp HA . 62 Asp HB2 . 15725 1 76 3JHAHB . 1 1 61 61 ASP HA H 1 . . 1 1 61 61 ASP HB3 H 1 . 5.82 . . 0.50 . . . 62 Asp HA . 62 Asp HB3 . 15725 1 77 3JHAHB . 1 1 62 62 ASP HA H 1 . . 1 1 62 62 ASP HB2 H 1 . 5.35 . . 0.50 . . . 63 Asp HA . 63 Asp HB2 . 15725 1 78 3JHAHB . 1 1 62 62 ASP HA H 1 . . 1 1 62 62 ASP HB3 H 1 . 6.91 . . 0.50 . . . 63 Asp HA . 63 Asp HB3 . 15725 1 79 3JHAHB . 1 1 63 63 SER HA H 1 . . 1 1 63 63 SER HB2 H 1 . 2.88 . . 0.50 . . . 64 Ser HA . 64 Ser HB2 . 15725 1 80 3JHAHB . 1 1 63 63 SER HA H 1 . . 1 1 63 63 SER HB3 H 1 . 3.36 . . 0.50 . . . 64 Ser HA . 64 Ser HB3 . 15725 1 81 3JHAHB . 1 1 64 64 ILE HA H 1 . . 1 1 64 64 ILE HB H 1 . 8.28 . . 0.50 . . . 65 Ile HA . 65 Ile HB . 15725 1 82 3JHAHB . 1 1 65 65 GLU HA H 1 . . 1 1 65 65 GLU HB2 H 1 . 9.23 . . 0.50 . . . 66 Glu HA . 66 Glu HB2 . 15725 1 83 3JHAHB . 1 1 65 65 GLU HA H 1 . . 1 1 65 65 GLU HB3 H 1 . 3.33 . . 0.50 . . . 66 Glu HA . 66 Glu HB3 . 15725 1 84 3JHAHB . 1 1 66 66 LEU HA H 1 . . 1 1 66 66 LEU HB2 H 1 . 9.42 . . 0.50 . . . 67 Leu HA . 67 Leu HB2 . 15725 1 85 3JHAHB . 1 1 66 66 LEU HA H 1 . . 1 1 66 66 LEU HB3 H 1 . 4.54 . . 0.50 . . . 67 Leu HA . 67 Leu HB3 . 15725 1 86 3JHAHB . 1 1 67 67 GLN HA H 1 . . 1 1 67 67 GLN HB2 H 1 . 4.81 . . 0.50 . . . 68 Gln HA . 68 Gln HB2 . 15725 1 87 3JHAHB . 1 1 67 67 GLN HA H 1 . . 1 1 67 67 GLN HB3 H 1 . 8.86 . . 0.50 . . . 68 Gln HA . 68 Gln HB3 . 15725 1 88 3JHAHB . 1 1 68 68 ASP HA H 1 . . 1 1 68 68 ASP HB2 H 1 . 8.70 . . 0.50 . . . 69 Asp HA . 69 Asp HB2 . 15725 1 89 3JHAHB . 1 1 68 68 ASP HA H 1 . . 1 1 68 68 ASP HB3 H 1 . 4.11 . . 0.50 . . . 69 Asp HA . 69 Asp HB3 . 15725 1 90 3JHAHB . 1 1 69 69 ASP HA H 1 . . 1 1 69 69 ASP HB2 H 1 . 11.29 . . 0.50 . . . 70 Asp HA . 70 Asp HB2 . 15725 1 91 3JHAHB . 1 1 69 69 ASP HA H 1 . . 1 1 69 69 ASP HB3 H 1 . 4.53 . . 0.50 . . . 70 Asp HA . 70 Asp HB3 . 15725 1 92 3JHAHB . 1 1 70 70 PHE HA H 1 . . 1 1 70 70 PHE HB2 H 1 . 2.60 . . 0.50 . . . 71 Phe HA . 71 Phe HB2 . 15725 1 93 3JHAHB . 1 1 70 70 PHE HA H 1 . . 1 1 70 70 PHE HB3 H 1 . 8.97 . . 0.50 . . . 71 Phe HA . 71 Phe HB3 . 15725 1 94 3JHAHB . 1 1 71 71 ILE HA H 1 . . 1 1 71 71 ILE HB H 1 . 10.35 . . 0.50 . . . 72 Ile HA . 72 Ile HB . 15725 1 95 3JHAHB . 1 1 72 72 PRO HA H 1 . . 1 1 72 72 PRO HB2 H 1 . 7.05 . . 0.50 . . . 73 Pro HA . 73 Pro HB2 . 15725 1 96 3JHAHB . 1 1 72 72 PRO HA H 1 . . 1 1 72 72 PRO HB3 H 1 . 6.92 . . 0.50 . . . 73 Pro HA . 73 Pro HB3 . 15725 1 97 3JHAHB . 1 1 73 73 LEU HA H 1 . . 1 1 73 73 LEU HB2 H 1 . 6.14 . . 0.50 . . . 74 Leu HA . 74 Leu HB2 . 15725 1 98 3JHAHB . 1 1 73 73 LEU HA H 1 . . 1 1 73 73 LEU HB3 H 1 . 10.24 . . 0.50 . . . 74 Leu HA . 74 Leu HB3 . 15725 1 99 3JHAHB . 1 1 74 74 PHE HA H 1 . . 1 1 74 74 PHE HB2 H 1 . 4.80 . . 0.50 . . . 75 Phe HA . 75 Phe HB2 . 15725 1 100 3JHAHB . 1 1 74 74 PHE HA H 1 . . 1 1 74 74 PHE HB3 H 1 . 10.19 . . 0.50 . . . 75 Phe HA . 75 Phe HB3 . 15725 1 101 3JHAHB . 1 1 76 76 SER HA H 1 . . 1 1 76 76 SER HB2 H 1 . 7.59 . . 0.50 . . . 77 Ser HA . 77 Ser HB2 . 15725 1 102 3JHAHB . 1 1 76 76 SER HA H 1 . . 1 1 76 76 SER HB3 H 1 . 3.93 . . 0.50 . . . 77 Ser HA . 77 Ser HB3 . 15725 1 103 3JHAHB . 1 1 77 77 LEU HA H 1 . . 1 1 77 77 LEU HB2 H 1 . 6.14 . . 0.50 . . . 78 Leu HA . 78 Leu HB2 . 15725 1 104 3JHAHB . 1 1 77 77 LEU HA H 1 . . 1 1 77 77 LEU HB3 H 1 . 5.29 . . 0.50 . . . 78 Leu HA . 78 Leu HB3 . 15725 1 105 3JHAHB . 1 1 79 79 GLU HA H 1 . . 1 1 79 79 GLU HB2 H 1 . 9.42 . . 0.50 . . . 80 Glu HA . 80 Glu HB2 . 15725 1 106 3JHAHB . 1 1 79 79 GLU HA H 1 . . 1 1 79 79 GLU HB3 H 1 . 3.17 . . 0.50 . . . 80 Glu HA . 80 Glu HB3 . 15725 1 107 3JHAHB . 1 1 80 80 THR HA H 1 . . 1 1 80 80 THR HB H 1 . 1.76 . . 0.50 . . . 81 Thr HA . 81 Thr HB . 15725 1 108 3JHAHB . 1 1 82 82 ALA HA H 1 . . 1 1 82 82 ALA HB H 1 . 6.30 . . 0.50 . . . 83 Ala HA . 83 Ala HB . 15725 1 109 3JHAHB . 1 1 83 83 GLN HA H 1 . . 1 1 83 83 GLN HB2 H 1 . 5.74 . . 0.50 . . . 84 Gln HA . 84 Gln HB2 . 15725 1 110 3JHAHB . 1 1 83 83 GLN HA H 1 . . 1 1 83 83 GLN HB3 H 1 . 8.57 . . 0.50 . . . 84 Gln HA . 84 Gln HB3 . 15725 1 111 3JHAHB . 1 1 85 85 ARG HA H 1 . . 1 1 85 85 ARG HB2 H 1 . 4.86 . . 0.50 . . . 86 Arg HA . 86 Arg HB2 . 15725 1 112 3JHAHB . 1 1 85 85 ARG HA H 1 . . 1 1 85 85 ARG HB3 H 1 . 7.69 . . 0.50 . . . 86 Arg HA . 86 Arg HB3 . 15725 1 113 3JHAHB . 1 1 86 86 LYS HA H 1 . . 1 1 86 86 LYS HB2 H 1 . 10.35 . . 0.50 . . . 87 Lys HA . 87 Lys HB2 . 15725 1 114 3JHAHB . 1 1 86 86 LYS HA H 1 . . 1 1 86 86 LYS HB3 H 1 . 2.96 . . 0.50 . . . 87 Lys HA . 87 Lys HB3 . 15725 1 115 3JHAHB . 1 1 87 87 VAL HA H 1 . . 1 1 87 87 VAL HB H 1 . 5.98 . . 0.50 . . . 88 Val HA . 88 Val HB . 15725 1 116 3JHAHB . 1 1 88 88 ALA HA H 1 . . 1 1 88 88 ALA HB H 1 . 5.58 . . 0.50 . . . 89 Ala HA . 89 Ala HB . 15725 1 117 3JHAHB . 1 1 90 90 PHE HA H 1 . . 1 1 90 90 PHE HB2 H 1 . 3.17 . . 0.50 . . . 91 Phe HA . 91 Phe HB2 . 15725 1 118 3JHAHB . 1 1 92 92 CYS HA H 1 . . 1 1 92 92 CYS HB2 H 1 . 10.22 . . 0.50 . . . 93 Cys HA . 93 Cys HB2 . 15725 1 119 3JHAHB . 1 1 92 92 CYS HA H 1 . . 1 1 92 92 CYS HB3 H 1 . 3.50 . . 0.50 . . . 93 Cys HA . 93 Cys HB3 . 15725 1 120 3JHAHB . 1 1 95 95 SER HA H 1 . . 1 1 95 95 SER HB2 H 1 . 2.58 . . 0.50 . . . 96 Ser HA . 96 Ser HB2 . 15725 1 121 3JHAHB . 1 1 95 95 SER HA H 1 . . 1 1 95 95 SER HB3 H 1 . 2.28 . . 0.50 . . . 96 Ser HA . 96 Ser HB3 . 15725 1 122 3JHAHB . 1 1 96 96 SER HA H 1 . . 1 1 96 96 SER HB2 H 1 . 4.46 . . 0.50 . . . 97 Ser HA . 97 Ser HB2 . 15725 1 123 3JHAHB . 1 1 96 96 SER HA H 1 . . 1 1 96 96 SER HB3 H 1 . 2.94 . . 0.50 . . . 97 Ser HA . 97 Ser HB3 . 15725 1 124 3JHAHB . 1 1 97 97 TYR HA H 1 . . 1 1 97 97 TYR HB2 H 1 . 10.09 . . 0.50 . . . 98 Tyr HA . 98 Tyr HB2 . 15725 1 125 3JHAHB . 1 1 97 97 TYR HA H 1 . . 1 1 97 97 TYR HB3 H 1 . 3.84 . . 0.50 . . . 98 Tyr HA . 98 Tyr HB3 . 15725 1 126 3JHAHB . 1 1 98 98 GLU HA H 1 . . 1 1 98 98 GLU HB2 H 1 . 6.04 . . 0.50 . . . 99 Glu HA . 99 Glu HB2 . 15725 1 127 3JHAHB . 1 1 98 98 GLU HA H 1 . . 1 1 98 98 GLU HB3 H 1 . 7.62 . . 0.50 . . . 99 Glu HA . 99 Glu HB3 . 15725 1 128 3JHAHB . 1 1 99 99 TYR HA H 1 . . 1 1 99 99 TYR HB2 H 1 . 9.57 . . 0.50 . . . 100 Tyr HA . 100 Tyr HB2 . 15725 1 129 3JHAHB . 1 1 99 99 TYR HA H 1 . . 1 1 99 99 TYR HB3 H 1 . 4.60 . . 0.50 . . . 100 Tyr HA . 100 Tyr HB3 . 15725 1 130 3JHAHB . 1 1 100 100 PHE HA H 1 . . 1 1 100 100 PHE HB2 H 1 . 5.96 . . 0.50 . . . 101 Phe HA . 101 Phe HB2 . 15725 1 131 3JHAHB . 1 1 100 100 PHE HA H 1 . . 1 1 100 100 PHE HB3 H 1 . 10.48 . . 0.50 . . . 101 Phe HA . 101 Phe HB3 . 15725 1 132 3JHAHB . 1 1 101 101 CYS HA H 1 . . 1 1 101 101 CYS HB2 H 1 . 9.13 . . 0.50 . . . 102 Cys HA . 102 Cys HB2 . 15725 1 133 3JHAHB . 1 1 101 101 CYS HA H 1 . . 1 1 101 101 CYS HB3 H 1 . 2.82 . . 0.50 . . . 102 Cys HA . 102 Cys HB3 . 15725 1 134 3JHAHB . 1 1 103 103 ALA HA H 1 . . 1 1 103 103 ALA HB H 1 . 5.61 . . 0.50 . . . 104 Ala HA . 104 Ala HB . 15725 1 135 3JHAHB . 1 1 104 104 VAL HA H 1 . . 1 1 104 104 VAL HB H 1 . 10.03 . . 0.50 . . . 105 Val HA . 105 Val HB . 15725 1 136 3JHAHB . 1 1 106 106 ALA HA H 1 . . 1 1 106 106 ALA HB H 1 . 5.62 . . 0.50 . . . 107 Ala HA . 107 Ala HB . 15725 1 137 3JHAHB . 1 1 107 107 ILE HA H 1 . . 1 1 107 107 ILE HB H 1 . 9.58 . . 0.50 . . . 108 Ile HA . 108 Ile HB . 15725 1 138 3JHAHB . 1 1 108 108 GLU HA H 1 . . 1 1 108 108 GLU HB2 H 1 . 8.91 . . 0.50 . . . 109 Glu HA . 109 Glu HB2 . 15725 1 139 3JHAHB . 1 1 108 108 GLU HA H 1 . . 1 1 108 108 GLU HB3 H 1 . 3.28 . . 0.50 . . . 109 Glu HA . 109 Glu HB3 . 15725 1 140 3JHAHB . 1 1 109 109 GLU HA H 1 . . 1 1 109 109 GLU HB2 H 1 . 6.23 . . 0.50 . . . 110 Glu HA . 110 Glu HB2 . 15725 1 141 3JHAHB . 1 1 109 109 GLU HA H 1 . . 1 1 109 109 GLU HB3 H 1 . 8.22 . . 0.50 . . . 110 Glu HA . 110 Glu HB3 . 15725 1 142 3JHAHB . 1 1 110 110 LYS HA H 1 . . 1 1 110 110 LYS HB2 H 1 . 4.95 . . 0.50 . . . 111 Lys HA . 111 Lys HB2 . 15725 1 143 3JHAHB . 1 1 110 110 LYS HA H 1 . . 1 1 110 110 LYS HB3 H 1 . 8.94 . . 0.50 . . . 111 Lys HA . 111 Lys HB3 . 15725 1 144 3JHAHB . 1 1 111 111 LEU HA H 1 . . 1 1 111 111 LEU HB2 H 1 . 9.88 . . 0.50 . . . 112 Leu HA . 112 Leu HB2 . 15725 1 145 3JHAHB . 1 1 113 113 ASN HA H 1 . . 1 1 113 113 ASN HB2 H 1 . 8.81 . . 0.50 . . . 114 Asn HA . 114 Asn HB2 . 15725 1 146 3JHAHB . 1 1 113 113 ASN HA H 1 . . 1 1 113 113 ASN HB3 H 1 . 4.54 . . 0.50 . . . 114 Asn HA . 114 Asn HB3 . 15725 1 147 3JHAHB . 1 1 114 114 LEU HA H 1 . . 1 1 114 114 LEU HB2 H 1 . 9.20 . . 0.50 . . . 115 Leu HA . 115 Leu HB2 . 15725 1 148 3JHAHB . 1 1 114 114 LEU HA H 1 . . 1 1 114 114 LEU HB3 H 1 . 4.20 . . 0.50 . . . 115 Leu HA . 115 Leu HB3 . 15725 1 149 3JHAHB . 1 1 116 116 ALA HA H 1 . . 1 1 116 116 ALA HB H 1 . 5.87 . . 0.50 . . . 117 Ala HA . 117 Ala HB . 15725 1 150 3JHAHB . 1 1 117 117 GLU HA H 1 . . 1 1 117 117 GLU HB2 H 1 . 6.96 . . 0.50 . . . 118 Glu HA . 118 Glu HB2 . 15725 1 151 3JHAHB . 1 1 117 117 GLU HA H 1 . . 1 1 117 117 GLU HB3 H 1 . 7.19 . . 0.50 . . . 118 Glu HA . 118 Glu HB3 . 15725 1 152 3JHAHB . 1 1 118 118 ILE HA H 1 . . 1 1 118 118 ILE HB H 1 . 10.66 . . 0.50 . . . 119 Ile HA . 119 Ile HB . 15725 1 153 3JHAHB . 1 1 119 119 VAL HA H 1 . . 1 1 119 119 VAL HB H 1 . 4.54 . . 0.50 . . . 120 Val HA . 120 Val HB . 15725 1 154 3JHAHB . 1 1 121 121 ASP HA H 1 . . 1 1 121 121 ASP HB2 H 1 . 9.53 . . 0.50 . . . 122 Asp HA . 122 Asp HB2 . 15725 1 155 3JHAHB . 1 1 121 121 ASP HA H 1 . . 1 1 121 121 ASP HB3 H 1 . 4.26 . . 0.50 . . . 122 Asp HA . 122 Asp HB3 . 15725 1 156 3JHAHB . 1 1 123 123 LEU HA H 1 . . 1 1 123 123 LEU HB2 H 1 . 5.01 . . 0.50 . . . 124 Leu HA . 124 Leu HB2 . 15725 1 157 3JHAHB . 1 1 123 123 LEU HA H 1 . . 1 1 123 123 LEU HB3 H 1 . 9.98 . . 0.50 . . . 124 Leu HA . 124 Leu HB3 . 15725 1 158 3JHAHB . 1 1 124 124 ARG HA H 1 . . 1 1 124 124 ARG HB2 H 1 . 9.29 . . 0.50 . . . 125 Arg HA . 125 Arg HB2 . 15725 1 159 3JHAHB . 1 1 125 125 ILE HA H 1 . . 1 1 125 125 ILE HB H 1 . 10.46 . . 0.50 . . . 126 Ile HA . 126 Ile HB . 15725 1 160 3JHAHB . 1 1 126 126 ASP HA H 1 . . 1 1 126 126 ASP HB2 H 1 . 4.15 . . 0.50 . . . 127 Asp HA . 127 Asp HB2 . 15725 1 161 3JHAHB . 1 1 126 126 ASP HA H 1 . . 1 1 126 126 ASP HB3 H 1 . 10.51 . . 0.50 . . . 127 Asp HA . 127 Asp HB3 . 15725 1 162 3JHAHB . 1 1 128 128 ASP HA H 1 . . 1 1 128 128 ASP HB2 H 1 . 10.48 . . 0.50 . . . 129 Asp HA . 129 Asp HB2 . 15725 1 163 3JHAHB . 1 1 130 130 ARG HA H 1 . . 1 1 130 130 ARG HB2 H 1 . 9.78 . . 0.50 . . . 131 Arg HA . 131 Arg HB2 . 15725 1 164 3JHAHB . 1 1 130 130 ARG HA H 1 . . 1 1 130 130 ARG HB3 H 1 . 3.60 . . 0.50 . . . 131 Arg HA . 131 Arg HB3 . 15725 1 165 3JHAHB . 1 1 131 131 ALA HA H 1 . . 1 1 131 131 ALA HB H 1 . 5.94 . . 0.50 . . . 132 Ala HA . 132 Ala HB . 15725 1 166 3JHAHB . 1 1 132 132 ALA HA H 1 . . 1 1 132 132 ALA HB H 1 . 5.84 . . 0.50 . . . 133 Ala HA . 133 Ala HB . 15725 1 167 3JHAHB . 1 1 133 133 ARG HA H 1 . . 1 1 133 133 ARG HB2 H 1 . 4.18 . . 0.50 . . . 134 Arg HA . 134 Arg HB2 . 15725 1 168 3JHAHB . 1 1 133 133 ARG HA H 1 . . 1 1 133 133 ARG HB3 H 1 . 8.79 . . 0.50 . . . 134 Arg HA . 134 Arg HB3 . 15725 1 169 3JHAHB . 1 1 135 135 ASP HA H 1 . . 1 1 135 135 ASP HB2 H 1 . 10.41 . . 0.50 . . . 136 Asp HA . 136 Asp HB2 . 15725 1 170 3JHAHB . 1 1 135 135 ASP HA H 1 . . 1 1 135 135 ASP HB3 H 1 . 3.81 . . 0.50 . . . 136 Asp HA . 136 Asp HB3 . 15725 1 171 3JHAHB . 1 1 136 136 ILE HA H 1 . . 1 1 136 136 ILE HB H 1 . 11.01 . . 0.50 . . . 137 Ile HA . 137 Ile HB . 15725 1 172 3JHAHB . 1 1 137 137 VAL HA H 1 . . 1 1 137 137 VAL HB H 1 . 8.95 . . 0.50 . . . 138 Val HA . 138 Val HB . 15725 1 173 3JHAHB . 1 1 140 140 ALA HA H 1 . . 1 1 140 140 ALA HB H 1 . 5.72 . . 0.50 . . . 141 Ala HA . 141 Ala HB . 15725 1 174 3JHAHB . 1 1 142 142 ASP HA H 1 . . 1 1 142 142 ASP HB2 H 1 . 8.50 . . 0.50 . . . 143 Asp HA . 143 Asp HB2 . 15725 1 175 3JHAHB . 1 1 142 142 ASP HA H 1 . . 1 1 142 142 ASP HB3 H 1 . 3.82 . . 0.50 . . . 143 Asp HA . 143 Asp HB3 . 15725 1 176 3JHAHB . 1 1 143 143 VAL HA H 1 . . 1 1 143 143 VAL HB H 1 . 6.13 . . 0.50 . . . 144 Val HA . 144 Val HB . 15725 1 177 3JHAHB . 1 1 144 144 ARG HA H 1 . . 1 1 144 144 ARG HB2 H 1 . 6.42 . . 0.50 . . . 145 Arg HA . 145 Arg HB2 . 15725 1 178 3JHAHB . 1 1 144 144 ARG HA H 1 . . 1 1 144 144 ARG HB3 H 1 . 3.60 . . 0.50 . . . 145 Arg HA . 145 Arg HB3 . 15725 1 179 3JHAHB . 1 1 146 146 ALA HA H 1 . . 1 1 146 146 ALA HB H 1 . 6.00 . . 0.50 . . . 147 Ala HA . 147 Ala HB . 15725 1 180 3JHAHB . 1 1 147 147 ILE HA H 1 . . 1 1 147 147 ILE HB H 1 . 5.79 . . 0.50 . . . 148 Ile HA . 148 Ile HB . 15725 1 stop_ save_ save_3JN_HB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JN_HB _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 '3D HNHB' . . . 15725 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JN_HB . 1 1 2 2 LYS N N 15 . . 1 1 2 2 LYS HB2 H 1 . 1.57 . . 0.50 . . . 3 Lys N . 3 Lys HB2 . 15725 2 2 3JN_HB . 1 1 2 2 LYS N N 15 . . 1 1 2 2 LYS HB3 H 1 . 3.14 . . 0.50 . . . 3 Lys N . 3 Lys HB3 . 15725 2 3 3JN_HB . 1 1 3 3 ALA N N 15 . . 1 1 3 3 ALA HB H 1 . 2.37 . . 0.50 . . . 4 Ala N . 4 Ala HB . 15725 2 4 3JN_HB . 1 1 4 4 LEU N N 15 . . 1 1 4 4 LEU HB2 H 1 . 0.38 . . 0.50 . . . 5 Leu N . 5 Leu HB2 . 15725 2 5 3JN_HB . 1 1 4 4 LEU N N 15 . . 1 1 4 4 LEU HB3 H 1 . 0.95 . . 0.50 . . . 5 Leu N . 5 Leu HB3 . 15725 2 6 3JN_HB . 1 1 5 5 ILE N N 15 . . 1 1 5 5 ILE HB H 1 . 0.71 . . 0.50 . . . 6 Ile N . 6 Ile HB . 15725 2 7 3JN_HB . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL HB H 1 . 0.84 . . 0.50 . . . 7 Val N . 7 Val HB . 15725 2 8 3JN_HB . 1 1 9 9 SER N N 15 . . 1 1 9 9 SER HB2 H 1 . 0.96 . . 0.50 . . . 10 Ser N . 10 Ser HB2 . 15725 2 9 3JN_HB . 1 1 9 9 SER N N 15 . . 1 1 9 9 SER HB3 H 1 . 0.48 . . 0.50 . . . 10 Ser N . 10 Ser HB3 . 15725 2 10 3JN_HB . 1 1 10 10 THR N N 15 . . 1 1 10 10 THR HB H 1 . 1.09 . . 0.50 . . . 11 Thr N . 11 Thr HB . 15725 2 11 3JN_HB . 1 1 11 11 THR N N 15 . . 1 1 11 11 THR HB H 1 . 2.78 . . 0.50 . . . 12 Thr N . 12 Thr HB . 15725 2 12 3JN_HB . 1 1 13 13 ASN N N 15 . . 1 1 13 13 ASN HB2 H 1 . 2.43 . . 0.50 . . . 14 Asn N . 14 Asn HB2 . 15725 2 13 3JN_HB . 1 1 13 13 ASN N N 15 . . 1 1 13 13 ASN HB3 H 1 . 4.68 . . 0.50 . . . 14 Asn N . 14 Asn HB3 . 15725 2 14 3JN_HB . 1 1 15 15 GLU N N 15 . . 1 1 15 15 GLU HB2 H 1 . 0.74 . . 0.50 . . . 16 Glu N . 16 Glu HB2 . 15725 2 15 3JN_HB . 1 1 15 15 GLU N N 15 . . 1 1 15 15 GLU HB3 H 1 . 1.01 . . 0.50 . . . 16 Glu N . 16 Glu HB3 . 15725 2 16 3JN_HB . 1 1 16 16 TYR N N 15 . . 1 1 16 16 TYR HB2 H 1 . 0.55 . . 0.50 . . . 17 Tyr N . 17 Tyr HB2 . 15725 2 17 3JN_HB . 1 1 16 16 TYR N N 15 . . 1 1 16 16 TYR HB3 H 1 . 1.50 . . 0.50 . . . 17 Tyr N . 17 Tyr HB3 . 15725 2 18 3JN_HB . 1 1 17 17 THR N N 15 . . 1 1 17 17 THR HB H 1 . 0.65 . . 0.50 . . . 18 Thr N . 18 Thr HB . 15725 2 19 3JN_HB . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA HB H 1 . 2.23 . . 0.50 . . . 19 Ala N . 19 Ala HB . 15725 2 20 3JN_HB . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU HB2 H 1 . 1.79 . . 0.50 . . . 20 Glu N . 20 Glu HB2 . 15725 2 21 3JN_HB . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU HB3 H 1 . 3.39 . . 0.50 . . . 20 Glu N . 20 Glu HB3 . 15725 2 22 3JN_HB . 1 1 20 20 THR N N 15 . . 1 1 20 20 THR HB H 1 . 1.37 . . 0.50 . . . 21 Thr N . 21 Thr HB . 15725 2 23 3JN_HB . 1 1 21 21 ILE N N 15 . . 1 1 21 21 ILE HB H 1 . 1.63 . . 0.50 . . . 22 Ile N . 22 Ile HB . 15725 2 24 3JN_HB . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA HB H 1 . 2.77 . . 0.50 . . . 23 Ala N . 23 Ala HB . 15725 2 25 3JN_HB . 1 1 23 23 ARG N N 15 . . 1 1 23 23 ARG HB2 H 1 . 1.23 . . 0.50 . . . 24 Arg N . 24 Arg HB2 . 15725 2 26 3JN_HB . 1 1 23 23 ARG N N 15 . . 1 1 23 23 ARG HB3 H 1 . 2.04 . . 0.50 . . . 24 Arg N . 24 Arg HB3 . 15725 2 27 3JN_HB . 1 1 24 24 GLU N N 15 . . 1 1 24 24 GLU HB2 H 1 . 1.96 . . 0.50 . . . 25 Glu N . 25 Glu HB2 . 15725 2 28 3JN_HB . 1 1 24 24 GLU N N 15 . . 1 1 24 24 GLU HB3 H 1 . 3.11 . . 0.50 . . . 25 Glu N . 25 Glu HB3 . 15725 2 29 3JN_HB . 1 1 25 25 LEU N N 15 . . 1 1 25 25 LEU HB2 H 1 . 2.20 . . 0.50 . . . 26 Leu N . 26 Leu HB2 . 15725 2 30 3JN_HB . 1 1 25 25 LEU N N 15 . . 1 1 25 25 LEU HB3 H 1 . 4.41 . . 0.50 . . . 26 Leu N . 26 Leu HB3 . 15725 2 31 3JN_HB . 1 1 26 26 ALA N N 15 . . 1 1 26 26 ALA HB H 1 . 2.87 . . 0.50 . . . 27 Ala N . 27 Ala HB . 15725 2 32 3JN_HB . 1 1 27 27 ASP N N 15 . . 1 1 27 27 ASP HB2 H 1 . 2.30 . . 0.50 . . . 28 Asp N . 28 Asp HB2 . 15725 2 33 3JN_HB . 1 1 27 27 ASP N N 15 . . 1 1 27 27 ASP HB3 H 1 . 3.85 . . 0.50 . . . 28 Asp N . 28 Asp HB3 . 15725 2 34 3JN_HB . 1 1 28 28 ALA N N 15 . . 1 1 28 28 ALA HB H 1 . 2.67 . . 0.50 . . . 29 Ala N . 29 Ala HB . 15725 2 35 3JN_HB . 1 1 30 30 TYR N N 15 . . 1 1 30 30 TYR HB2 H 1 . 2.90 . . 0.50 . . . 31 Tyr N . 31 Tyr HB2 . 15725 2 36 3JN_HB . 1 1 30 30 TYR N N 15 . . 1 1 30 30 TYR HB3 H 1 . 4.28 . . 0.50 . . . 31 Tyr N . 31 Tyr HB3 . 15725 2 37 3JN_HB . 1 1 32 32 VAL N N 15 . . 1 1 32 32 VAL HB H 1 . 1.11 . . 0.50 . . . 33 Val N . 33 Val HB . 15725 2 38 3JN_HB . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP HB2 H 1 . 1.40 . . 0.50 . . . 34 Asp N . 34 Asp HB2 . 15725 2 39 3JN_HB . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP HB3 H 1 . 1.68 . . 0.50 . . . 34 Asp N . 34 Asp HB3 . 15725 2 40 3JN_HB . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER HB2 H 1 . 1.24 . . 0.50 . . . 35 Ser N . 35 Ser HB2 . 15725 2 41 3JN_HB . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER HB3 H 1 . 1.98 . . 0.50 . . . 35 Ser N . 35 Ser HB3 . 15725 2 42 3JN_HB . 1 1 35 35 ARG N N 15 . . 1 1 35 35 ARG HB2 H 1 . 1.28 . . 0.50 . . . 36 Arg N . 36 Arg HB2 . 15725 2 43 3JN_HB . 1 1 35 35 ARG N N 15 . . 1 1 35 35 ARG HB3 H 1 . 3.25 . . 0.50 . . . 36 Arg N . 36 Arg HB3 . 15725 2 44 3JN_HB . 1 1 37 37 ALA N N 15 . . 1 1 37 37 ALA HB H 1 . 2.74 . . 0.50 . . . 38 Ala N . 38 Ala HB . 15725 2 45 3JN_HB . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA HB H 1 . 2.90 . . 0.50 . . . 39 Ala N . 39 Ala HB . 15725 2 46 3JN_HB . 1 1 39 39 SER N N 15 . . 1 1 39 39 SER HB2 H 1 . 3.00 . . 0.50 . . . 40 Ser N . 40 Ser HB2 . 15725 2 47 3JN_HB . 1 1 39 39 SER N N 15 . . 1 1 39 39 SER HB3 H 1 . 2.19 . . 0.50 . . . 40 Ser N . 40 Ser HB3 . 15725 2 48 3JN_HB . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL HB H 1 . 3.40 . . 0.50 . . . 41 Val N . 41 Val HB . 15725 2 49 3JN_HB . 1 1 41 41 GLU N N 15 . . 1 1 41 41 GLU HB2 H 1 . 1.80 . . 0.50 . . . 42 Glu N . 42 Glu HB2 . 15725 2 50 3JN_HB . 1 1 41 41 GLU N N 15 . . 1 1 41 41 GLU HB3 H 1 . 3.42 . . 0.50 . . . 42 Glu N . 42 Glu HB3 . 15725 2 51 3JN_HB . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA HB H 1 . 2.45 . . 0.50 . . . 43 Ala N . 43 Ala HB . 15725 2 52 3JN_HB . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU HB2 H 1 . 1.23 . . 0.50 . . . 46 Leu N . 46 Leu HB2 . 15725 2 53 3JN_HB . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU HB3 H 1 . 1.18 . . 0.50 . . . 46 Leu N . 46 Leu HB3 . 15725 2 54 3JN_HB . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE HB2 H 1 . 1.63 . . 0.50 . . . 47 Phe N . 47 Phe HB2 . 15725 2 55 3JN_HB . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE HB3 H 1 . 3.68 . . 0.50 . . . 47 Phe N . 47 Phe HB3 . 15725 2 56 3JN_HB . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE HB2 H 1 . 2.25 . . 0.50 . . . 50 Phe N . 50 Phe HB2 . 15725 2 57 3JN_HB . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE HB3 H 1 . 2.92 . . 0.50 . . . 50 Phe N . 50 Phe HB3 . 15725 2 58 3JN_HB . 1 1 50 50 ASP N N 15 . . 1 1 50 50 ASP HB2 H 1 . 1.70 . . 0.50 . . . 51 Asp N . 51 Asp HB2 . 15725 2 59 3JN_HB . 1 1 50 50 ASP N N 15 . . 1 1 50 50 ASP HB3 H 1 . 4.96 . . 0.50 . . . 51 Asp N . 51 Asp HB3 . 15725 2 60 3JN_HB . 1 1 52 52 VAL N N 15 . . 1 1 52 52 VAL HB H 1 . 1.14 . . 0.50 . . . 53 Val N . 53 Val HB . 15725 2 61 3JN_HB . 1 1 53 53 LEU N N 15 . . 1 1 53 53 LEU HB2 H 1 . 1.40 . . 0.50 . . . 54 Leu N . 54 Leu HB2 . 15725 2 62 3JN_HB . 1 1 53 53 LEU N N 15 . . 1 1 53 53 LEU HB3 H 1 . 3.55 . . 0.50 . . . 54 Leu N . 54 Leu HB3 . 15725 2 63 3JN_HB . 1 1 54 54 LEU N N 15 . . 1 1 54 54 LEU HB2 H 1 . 0.89 . . 0.50 . . . 55 Leu N . 55 Leu HB2 . 15725 2 64 3JN_HB . 1 1 54 54 LEU N N 15 . . 1 1 54 54 LEU HB3 H 1 . 3.20 . . 0.50 . . . 55 Leu N . 55 Leu HB3 . 15725 2 65 3JN_HB . 1 1 56 56 CYS N N 15 . . 1 1 56 56 CYS HB2 H 1 . 1.45 . . 0.50 . . . 57 Cys N . 57 Cys HB2 . 15725 2 66 3JN_HB . 1 1 56 56 CYS N N 15 . . 1 1 56 56 CYS HB3 H 1 . 0.78 . . 0.50 . . . 57 Cys N . 57 Cys HB3 . 15725 2 67 3JN_HB . 1 1 57 57 SER N N 15 . . 1 1 57 57 SER HB2 H 1 . 2.87 . . 0.50 . . . 58 Ser N . 58 Ser HB2 . 15725 2 68 3JN_HB . 1 1 57 57 SER N N 15 . . 1 1 57 57 SER HB3 H 1 . 0.77 . . 0.50 . . . 58 Ser N . 58 Ser HB3 . 15725 2 69 3JN_HB . 1 1 58 58 THR N N 15 . . 1 1 58 58 THR HB H 1 . 1.07 . . 0.50 . . . 59 Thr N . 59 Thr HB . 15725 2 70 3JN_HB . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP HB2 H 1 . 2.11 . . 0.50 . . . 60 Trp N . 60 Trp HB2 . 15725 2 71 3JN_HB . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP HB3 H 1 . 3.79 . . 0.50 . . . 60 Trp N . 60 Trp HB3 . 15725 2 72 3JN_HB . 1 1 61 61 ASP N N 15 . . 1 1 61 61 ASP HB2 H 1 . 1.81 . . 0.50 . . . 62 Asp N . 62 Asp HB2 . 15725 2 73 3JN_HB . 1 1 61 61 ASP N N 15 . . 1 1 61 61 ASP HB3 H 1 . 3.01 . . 0.50 . . . 62 Asp N . 62 Asp HB3 . 15725 2 74 3JN_HB . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP HB2 H 1 . 2.04 . . 0.50 . . . 63 Asp N . 63 Asp HB2 . 15725 2 75 3JN_HB . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP HB3 H 1 . 2.01 . . 0.50 . . . 63 Asp N . 63 Asp HB3 . 15725 2 76 3JN_HB . 1 1 63 63 SER N N 15 . . 1 1 63 63 SER HB2 H 1 . 2.76 . . 0.50 . . . 64 Ser N . 64 Ser HB2 . 15725 2 77 3JN_HB . 1 1 63 63 SER N N 15 . . 1 1 63 63 SER HB3 H 1 . 1.60 . . 0.50 . . . 64 Ser N . 64 Ser HB3 . 15725 2 78 3JN_HB . 1 1 64 64 ILE N N 15 . . 1 1 64 64 ILE HB H 1 . 2.02 . . 0.50 . . . 65 Ile N . 65 Ile HB . 15725 2 79 3JN_HB . 1 1 65 65 GLU N N 15 . . 1 1 65 65 GLU HB2 H 1 . 1.39 . . 0.50 . . . 66 Glu N . 66 Glu HB2 . 15725 2 80 3JN_HB . 1 1 65 65 GLU N N 15 . . 1 1 65 65 GLU HB3 H 1 . 3.72 . . 0.50 . . . 66 Glu N . 66 Glu HB3 . 15725 2 81 3JN_HB . 1 1 66 66 LEU N N 15 . . 1 1 66 66 LEU HB2 H 1 . 1.83 . . 0.50 . . . 67 Leu N . 67 Leu HB2 . 15725 2 82 3JN_HB . 1 1 66 66 LEU N N 15 . . 1 1 66 66 LEU HB3 H 1 . 4.01 . . 0.50 . . . 67 Leu N . 67 Leu HB3 . 15725 2 83 3JN_HB . 1 1 67 67 GLN N N 15 . . 1 1 67 67 GLN HB2 H 1 . 1.67 . . 0.50 . . . 68 Gln N . 68 Gln HB2 . 15725 2 84 3JN_HB . 1 1 67 67 GLN N N 15 . . 1 1 67 67 GLN HB3 H 1 . 0.83 . . 0.50 . . . 68 Gln N . 68 Gln HB3 . 15725 2 85 3JN_HB . 1 1 68 68 ASP N N 15 . . 1 1 68 68 ASP HB2 H 1 . 2.19 . . 0.50 . . . 69 Asp N . 69 Asp HB2 . 15725 2 86 3JN_HB . 1 1 68 68 ASP N N 15 . . 1 1 68 68 ASP HB3 H 1 . 3.80 . . 0.50 . . . 69 Asp N . 69 Asp HB3 . 15725 2 87 3JN_HB . 1 1 69 69 ASP N N 15 . . 1 1 69 69 ASP HB2 H 1 . 1.62 . . 0.50 . . . 70 Asp N . 70 Asp HB2 . 15725 2 88 3JN_HB . 1 1 69 69 ASP N N 15 . . 1 1 69 69 ASP HB3 H 1 . 4.72 . . 0.50 . . . 70 Asp N . 70 Asp HB3 . 15725 2 89 3JN_HB . 1 1 70 70 PHE N N 15 . . 1 1 70 70 PHE HB2 H 1 . 2.69 . . 0.50 . . . 71 Phe N . 71 Phe HB2 . 15725 2 90 3JN_HB . 1 1 70 70 PHE N N 15 . . 1 1 70 70 PHE HB3 H 1 . 1.21 . . 0.50 . . . 71 Phe N . 71 Phe HB3 . 15725 2 91 3JN_HB . 1 1 71 71 ILE N N 15 . . 1 1 71 71 ILE HB H 1 . 1.73 . . 0.50 . . . 72 Ile N . 72 Ile HB . 15725 2 92 3JN_HB . 1 1 73 73 LEU N N 15 . . 1 1 73 73 LEU HB2 H 1 . 0.92 . . 0.50 . . . 74 Leu N . 74 Leu HB2 . 15725 2 93 3JN_HB . 1 1 73 73 LEU N N 15 . . 1 1 73 73 LEU HB3 H 1 . 1.37 . . 0.50 . . . 74 Leu N . 74 Leu HB3 . 15725 2 94 3JN_HB . 1 1 74 74 PHE N N 15 . . 1 1 74 74 PHE HB2 H 1 . 1.08 . . 0.50 . . . 75 Phe N . 75 Phe HB2 . 15725 2 95 3JN_HB . 1 1 74 74 PHE N N 15 . . 1 1 74 74 PHE HB3 H 1 . 1.28 . . 0.50 . . . 75 Phe N . 75 Phe HB3 . 15725 2 96 3JN_HB . 1 1 76 76 SER N N 15 . . 1 1 76 76 SER HB2 H 1 . 2.05 . . 0.50 . . . 77 Ser N . 77 Ser HB2 . 15725 2 97 3JN_HB . 1 1 76 76 SER N N 15 . . 1 1 76 76 SER HB3 H 1 . 3.23 . . 0.50 . . . 77 Ser N . 77 Ser HB3 . 15725 2 98 3JN_HB . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU HB2 H 1 . 2.63 . . 0.50 . . . 78 Leu N . 78 Leu HB2 . 15725 2 99 3JN_HB . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU HB3 H 1 . 2.72 . . 0.50 . . . 78 Leu N . 78 Leu HB3 . 15725 2 100 3JN_HB . 1 1 79 79 GLU N N 15 . . 1 1 79 79 GLU HB2 H 1 . 1.82 . . 0.50 . . . 80 Glu N . 80 Glu HB2 . 15725 2 101 3JN_HB . 1 1 79 79 GLU N N 15 . . 1 1 79 79 GLU HB3 H 1 . 3.44 . . 0.50 . . . 80 Glu N . 80 Glu HB3 . 15725 2 102 3JN_HB . 1 1 80 80 THR N N 15 . . 1 1 80 80 THR HB H 1 . 3.15 . . 0.50 . . . 81 Thr N . 81 Thr HB . 15725 2 103 3JN_HB . 1 1 82 82 ALA N N 15 . . 1 1 82 82 ALA HB H 1 . 2.43 . . 0.50 . . . 83 Ala N . 83 Ala HB . 15725 2 104 3JN_HB . 1 1 83 83 GLN N N 15 . . 1 1 83 83 GLN HB2 H 1 . 1.57 . . 0.50 . . . 84 Gln N . 84 Gln HB2 . 15725 2 105 3JN_HB . 1 1 83 83 GLN N N 15 . . 1 1 83 83 GLN HB3 H 1 . 1.85 . . 0.50 . . . 84 Gln N . 84 Gln HB3 . 15725 2 106 3JN_HB . 1 1 85 85 ARG N N 15 . . 1 1 85 85 ARG HB2 H 1 . 1.41 . . 0.50 . . . 86 Arg N . 86 Arg HB2 . 15725 2 107 3JN_HB . 1 1 85 85 ARG N N 15 . . 1 1 85 85 ARG HB3 H 1 . 1.38 . . 0.50 . . . 86 Arg N . 86 Arg HB3 . 15725 2 108 3JN_HB . 1 1 86 86 LYS N N 15 . . 1 1 86 86 LYS HB2 H 1 . 2.42 . . 0.50 . . . 87 Lys N . 87 Lys HB2 . 15725 2 109 3JN_HB . 1 1 86 86 LYS N N 15 . . 1 1 86 86 LYS HB3 H 1 . 4.38 . . 0.50 . . . 87 Lys N . 87 Lys HB3 . 15725 2 110 3JN_HB . 1 1 87 87 VAL N N 15 . . 1 1 87 87 VAL HB H 1 . 1.98 . . 0.50 . . . 88 Val N . 88 Val HB . 15725 2 111 3JN_HB . 1 1 88 88 ALA N N 15 . . 1 1 88 88 ALA HB H 1 . 2.17 . . 0.50 . . . 89 Ala N . 89 Ala HB . 15725 2 112 3JN_HB . 1 1 90 90 PHE N N 15 . . 1 1 90 90 PHE HB2 H 1 . 2.41 . . 0.50 . . . 91 Phe N . 91 Phe HB2 . 15725 2 113 3JN_HB . 1 1 90 90 PHE N N 15 . . 1 1 90 90 PHE HB3 H 1 . 0.94 . . 0.50 . . . 91 Phe N . 91 Phe HB3 . 15725 2 114 3JN_HB . 1 1 92 92 CYS N N 15 . . 1 1 92 92 CYS HB2 H 1 . 1.93 . . 0.50 . . . 93 Cys N . 93 Cys HB2 . 15725 2 115 3JN_HB . 1 1 92 92 CYS N N 15 . . 1 1 92 92 CYS HB3 H 1 . 3.94 . . 0.50 . . . 93 Cys N . 93 Cys HB3 . 15725 2 116 3JN_HB . 1 1 95 95 SER N N 15 . . 1 1 95 95 SER HB2 H 1 . 3.37 . . 0.50 . . . 96 Ser N . 96 Ser HB2 . 15725 2 117 3JN_HB . 1 1 95 95 SER N N 15 . . 1 1 95 95 SER HB3 H 1 . 1.44 . . 0.50 . . . 96 Ser N . 96 Ser HB3 . 15725 2 118 3JN_HB . 1 1 96 96 SER N N 15 . . 1 1 96 96 SER HB2 H 1 . 3.20 . . 0.50 . . . 97 Ser N . 97 Ser HB2 . 15725 2 119 3JN_HB . 1 1 96 96 SER N N 15 . . 1 1 96 96 SER HB3 H 1 . 2.09 . . 0.50 . . . 97 Ser N . 97 Ser HB3 . 15725 2 120 3JN_HB . 1 1 98 98 GLU N N 15 . . 1 1 98 98 GLU HB2 H 1 . 1.66 . . 0.50 . . . 99 Glu N . 99 Glu HB2 . 15725 2 121 3JN_HB . 1 1 98 98 GLU N N 15 . . 1 1 98 98 GLU HB3 H 1 . 1.94 . . 0.50 . . . 99 Glu N . 99 Glu HB3 . 15725 2 122 3JN_HB . 1 1 99 99 TYR N N 15 . . 1 1 99 99 TYR HB2 H 1 . 1.43 . . 0.50 . . . 100 Tyr N . 100 Tyr HB2 . 15725 2 123 3JN_HB . 1 1 99 99 TYR N N 15 . . 1 1 99 99 TYR HB3 H 1 . 3.02 . . 0.50 . . . 100 Tyr N . 100 Tyr HB3 . 15725 2 124 3JN_HB . 1 1 100 100 PHE N N 15 . . 1 1 100 100 PHE HB2 H 1 . 0.73 . . 0.50 . . . 101 Phe N . 101 Phe HB2 . 15725 2 125 3JN_HB . 1 1 100 100 PHE N N 15 . . 1 1 100 100 PHE HB3 H 1 . 1.64 . . 0.50 . . . 101 Phe N . 101 Phe HB3 . 15725 2 126 3JN_HB . 1 1 101 101 CYS N N 15 . . 1 1 101 101 CYS HB2 H 1 . 1.66 . . 0.50 . . . 102 Cys N . 102 Cys HB2 . 15725 2 127 3JN_HB . 1 1 101 101 CYS N N 15 . . 1 1 101 101 CYS HB3 H 1 . 3.30 . . 0.50 . . . 102 Cys N . 102 Cys HB3 . 15725 2 128 3JN_HB . 1 1 104 104 VAL N N 15 . . 1 1 104 104 VAL HB H 1 . 1.03 . . 0.50 . . . 105 Val N . 105 Val HB . 15725 2 129 3JN_HB . 1 1 106 106 ALA N N 15 . . 1 1 106 106 ALA HB H 1 . 2.74 . . 0.50 . . . 107 Ala N . 107 Ala HB . 15725 2 130 3JN_HB . 1 1 107 107 ILE N N 15 . . 1 1 107 107 ILE HB H 1 . 1.39 . . 0.50 . . . 108 Ile N . 108 Ile HB . 15725 2 131 3JN_HB . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU HB2 H 1 . 2.36 . . 0.50 . . . 109 Glu N . 109 Glu HB2 . 15725 2 132 3JN_HB . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU HB3 H 1 . 4.50 . . 0.50 . . . 109 Glu N . 109 Glu HB3 . 15725 2 133 3JN_HB . 1 1 110 110 LYS N N 15 . . 1 1 110 110 LYS HB2 H 1 . 1.10 . . 0.50 . . . 111 Lys N . 111 Lys HB2 . 15725 2 134 3JN_HB . 1 1 110 110 LYS N N 15 . . 1 1 110 110 LYS HB3 H 1 . 1.00 . . 0.50 . . . 111 Lys N . 111 Lys HB3 . 15725 2 135 3JN_HB . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU HB2 H 1 . 2.41 . . 0.50 . . . 112 Leu N . 112 Leu HB2 . 15725 2 136 3JN_HB . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU HB3 H 1 . 4.23 . . 0.50 . . . 112 Leu N . 112 Leu HB3 . 15725 2 137 3JN_HB . 1 1 113 113 ASN N N 15 . . 1 1 113 113 ASN HB2 H 1 . 1.85 . . 0.50 . . . 114 Asn N . 114 Asn HB2 . 15725 2 138 3JN_HB . 1 1 113 113 ASN N N 15 . . 1 1 113 113 ASN HB3 H 1 . 3.70 . . 0.50 . . . 114 Asn N . 114 Asn HB3 . 15725 2 139 3JN_HB . 1 1 114 114 LEU N N 15 . . 1 1 114 114 LEU HB2 H 1 . 1.58 . . 0.50 . . . 115 Leu N . 115 Leu HB2 . 15725 2 140 3JN_HB . 1 1 114 114 LEU N N 15 . . 1 1 114 114 LEU HB3 H 1 . 3.87 . . 0.50 . . . 115 Leu N . 115 Leu HB3 . 15725 2 141 3JN_HB . 1 1 116 116 ALA N N 15 . . 1 1 116 116 ALA HB H 1 . 2.75 . . 0.50 . . . 117 Ala N . 117 Ala HB . 15725 2 142 3JN_HB . 1 1 118 118 ILE N N 15 . . 1 1 118 118 ILE HB H 1 . 1.45 . . 0.50 . . . 119 Ile N . 119 Ile HB . 15725 2 143 3JN_HB . 1 1 119 119 VAL N N 15 . . 1 1 119 119 VAL HB H 1 . 3.27 . . 0.50 . . . 120 Val N . 120 Val HB . 15725 2 144 3JN_HB . 1 1 121 121 ASP N N 15 . . 1 1 121 121 ASP HB2 H 1 . 1.69 . . 0.50 . . . 122 Asp N . 122 Asp HB2 . 15725 2 145 3JN_HB . 1 1 121 121 ASP N N 15 . . 1 1 121 121 ASP HB3 H 1 . 2.98 . . 0.50 . . . 122 Asp N . 122 Asp HB3 . 15725 2 146 3JN_HB . 1 1 123 123 LEU N N 15 . . 1 1 123 123 LEU HB2 H 1 . 0.63 . . 0.50 . . . 124 Leu N . 124 Leu HB2 . 15725 2 147 3JN_HB . 1 1 123 123 LEU N N 15 . . 1 1 123 123 LEU HB3 H 1 . 1.48 . . 0.50 . . . 124 Leu N . 124 Leu HB3 . 15725 2 148 3JN_HB . 1 1 124 124 ARG N N 15 . . 1 1 124 124 ARG HB2 H 1 . 1.87 . . 0.50 . . . 125 Arg N . 125 Arg HB2 . 15725 2 149 3JN_HB . 1 1 124 124 ARG N N 15 . . 1 1 124 124 ARG HB3 H 1 . 3.27 . . 0.50 . . . 125 Arg N . 125 Arg HB3 . 15725 2 150 3JN_HB . 1 1 125 125 ILE N N 15 . . 1 1 125 125 ILE HB H 1 . 1.31 . . 0.50 . . . 126 Ile N . 126 Ile HB . 15725 2 151 3JN_HB . 1 1 126 126 ASP N N 15 . . 1 1 126 126 ASP HB2 H 1 . 1.33 . . 0.50 . . . 127 Asp N . 127 Asp HB2 . 15725 2 152 3JN_HB . 1 1 126 126 ASP N N 15 . . 1 1 126 126 ASP HB3 H 1 . 0.67 . . 0.50 . . . 127 Asp N . 127 Asp HB3 . 15725 2 153 3JN_HB . 1 1 130 130 ARG N N 15 . . 1 1 130 130 ARG HB2 H 1 . 1.80 . . 0.50 . . . 131 Arg N . 131 Arg HB2 . 15725 2 154 3JN_HB . 1 1 130 130 ARG N N 15 . . 1 1 130 130 ARG HB3 H 1 . 4.05 . . 0.50 . . . 131 Arg N . 131 Arg HB3 . 15725 2 155 3JN_HB . 1 1 131 131 ALA N N 15 . . 1 1 131 131 ALA HB H 1 . 2.87 . . 0.50 . . . 132 Ala N . 132 Ala HB . 15725 2 156 3JN_HB . 1 1 132 132 ALA N N 15 . . 1 1 132 132 ALA HB H 1 . 2.33 . . 0.50 . . . 133 Ala N . 133 Ala HB . 15725 2 157 3JN_HB . 1 1 133 133 ARG N N 15 . . 1 1 133 133 ARG HB2 H 1 . 1.71 . . 0.50 . . . 134 Arg N . 134 Arg HB2 . 15725 2 158 3JN_HB . 1 1 133 133 ARG N N 15 . . 1 1 133 133 ARG HB3 H 1 . 1.38 . . 0.50 . . . 134 Arg N . 134 Arg HB3 . 15725 2 159 3JN_HB . 1 1 136 136 ILE N N 15 . . 1 1 136 136 ILE HB H 1 . 1.33 . . 0.50 . . . 137 Ile N . 137 Ile HB . 15725 2 160 3JN_HB . 1 1 137 137 VAL N N 15 . . 1 1 137 137 VAL HB H 1 . 2.14 . . 0.50 . . . 138 Val N . 138 Val HB . 15725 2 161 3JN_HB . 1 1 140 140 ALA N N 15 . . 1 1 140 140 ALA HB H 1 . 2.77 . . 0.50 . . . 141 Ala N . 141 Ala HB . 15725 2 162 3JN_HB . 1 1 142 142 ASP N N 15 . . 1 1 142 142 ASP HB2 H 1 . 2.05 . . 0.50 . . . 143 Asp N . 143 Asp HB2 . 15725 2 163 3JN_HB . 1 1 142 142 ASP N N 15 . . 1 1 142 142 ASP HB3 H 1 . 4.21 . . 0.50 . . . 143 Asp N . 143 Asp HB3 . 15725 2 164 3JN_HB . 1 1 143 143 VAL N N 15 . . 1 1 143 143 VAL HB H 1 . 2.23 . . 0.50 . . . 144 Val N . 144 Val HB . 15725 2 165 3JN_HB . 1 1 144 144 ARG N N 15 . . 1 1 144 144 ARG HB2 H 1 . 2.65 . . 0.50 . . . 145 Arg N . 145 Arg HB2 . 15725 2 166 3JN_HB . 1 1 144 144 ARG N N 15 . . 1 1 144 144 ARG HB3 H 1 . 2.22 . . 0.50 . . . 145 Arg N . 145 Arg HB3 . 15725 2 167 3JN_HB . 1 1 146 146 ALA N N 15 . . 1 1 146 146 ALA HB H 1 . 2.67 . . 0.50 . . . 147 Ala N . 147 Ala HB . 15725 2 168 3JN_HB . 1 1 147 147 ILE N N 15 . . 1 1 147 147 ILE HB H 1 . 2.78 . . 0.50 . . . 148 Ile N . 148 Ile HB . 15725 2 stop_ save_ save_3JCOHB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOHB _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 4 '3D HN(CO)HB modified' . . . 15725 3 5 '3D ct-HMQC-COSY' . . . 15725 3 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JC_HB . 1 1 1 1 PRO C C 13 . . 1 1 1 1 PRO HB2 H 1 . 4.33 . . 0.50 . . . 2 Pro C . 2 Pro HB2 . 15725 3 2 3JC_HB . 1 1 1 1 PRO C C 13 . . 1 1 1 1 PRO HB3 H 1 . 3.08 . . 0.50 . . . 2 Pro C . 2 Pro HB3 . 15725 3 3 3JC_HB . 1 1 2 2 LYS C C 13 . . 1 1 2 2 LYS HB2 H 1 . 2.63 . . 0.50 . . . 3 Lys C . 3 Lys HB2 . 15725 3 4 3JC_HB . 1 1 2 2 LYS C C 13 . . 1 1 2 2 LYS HB3 H 1 . 2.35 . . 0.50 . . . 3 Lys C . 3 Lys HB3 . 15725 3 5 3JC_HB . 1 1 3 3 ALA C C 13 . . 1 1 3 3 ALA HB H 1 . 3.74 . . 0.50 . . . 4 Ala C . 4 Ala HB . 15725 3 6 3JC_HB . 1 1 4 4 LEU C C 13 . . 1 1 4 4 LEU HB2 H 1 . 6.83 . . 0.50 . . . 5 Leu C . 5 Leu HB2 . 15725 3 7 3JC_HB . 1 1 4 4 LEU C C 13 . . 1 1 4 4 LEU HB3 H 1 . 2.45 . . 0.50 . . . 5 Leu C . 5 Leu HB3 . 15725 3 8 3JC_HB . 1 1 5 5 ILE C C 13 . . 1 1 5 5 ILE HB H 1 . 1.43 . . 0.50 . . . 6 Ile C . 6 Ile HB . 15725 3 9 3JC_HB . 1 1 6 6 VAL C C 13 . . 1 1 6 6 VAL HB H 1 . 1.98 . . 0.50 . . . 7 Val C . 7 Val HB . 15725 3 10 3JC_HB . 1 1 9 9 SER C C 13 . . 1 1 9 9 SER HB2 H 1 . 4.66 . . 0.50 . . . 10 Ser C . 10 Ser HB2 . 15725 3 11 3JC_HB . 1 1 13 13 ASN C C 13 . . 1 1 13 13 ASN HB2 H 1 . 2.37 . . 0.50 . . . 14 Asn C . 14 Asn HB2 . 15725 3 12 3JC_HB . 1 1 14 14 THR C C 13 . . 1 1 14 14 THR HB H 1 . 1.76 . . 0.50 . . . 15 Thr C . 15 Thr HB . 15725 3 13 3JC_HB . 1 1 15 15 GLU C C 13 . . 1 1 15 15 GLU HB2 H 1 . 6.18 . . 0.50 . . . 16 Glu C . 16 Glu HB2 . 15725 3 14 3JC_HB . 1 1 15 15 GLU C C 13 . . 1 1 15 15 GLU HB3 H 1 . 2.34 . . 0.50 . . . 16 Glu C . 16 Glu HB3 . 15725 3 15 3JC_HB . 1 1 16 16 TYR C C 13 . . 1 1 16 16 TYR HB3 H 1 . 1.82 . . 0.50 . . . 17 Tyr C . 17 Tyr HB3 . 15725 3 16 3JC_HB . 1 1 17 17 THR C C 13 . . 1 1 17 17 THR HB H 1 . 1.58 . . 0.50 . . . 18 Thr C . 18 Thr HB . 15725 3 17 3JC_HB . 1 1 18 18 ALA C C 13 . . 1 1 18 18 ALA HB H 1 . 4.27 . . 0.50 . . . 19 Ala C . 19 Ala HB . 15725 3 18 3JC_HB . 1 1 19 19 GLU C C 13 . . 1 1 19 19 GLU HB2 H 1 . 3.32 . . 0.50 . . . 20 Glu C . 20 Glu HB2 . 15725 3 19 3JC_HB . 1 1 19 19 GLU C C 13 . . 1 1 19 19 GLU HB3 H 1 . 1.83 . . 0.50 . . . 20 Glu C . 20 Glu HB3 . 15725 3 20 3JC_HB . 1 1 20 20 THR C C 13 . . 1 1 20 20 THR HB H 1 . 1.74 . . 0.50 . . . 21 Thr C . 21 Thr HB . 15725 3 21 3JC_HB . 1 1 21 21 ILE C C 13 . . 1 1 21 21 ILE HB H 1 . 1.46 . . 0.50 . . . 22 Ile C . 22 Ile HB . 15725 3 22 3JC_HB . 1 1 22 22 ALA C C 13 . . 1 1 22 22 ALA HB H 1 . 3.99 . . 0.50 . . . 23 Ala C . 23 Ala HB . 15725 3 23 3JC_HB . 1 1 23 23 ARG C C 13 . . 1 1 23 23 ARG HB2 H 1 . 4.92 . . 0.50 . . . 24 Arg C . 24 Arg HB2 . 15725 3 24 3JC_HB . 1 1 23 23 ARG C C 13 . . 1 1 23 23 ARG HB3 H 1 . 2.46 . . 0.50 . . . 24 Arg C . 24 Arg HB3 . 15725 3 25 3JC_HB . 1 1 24 24 GLU C C 13 . . 1 1 24 24 GLU HB2 H 1 . 2.70 . . 0.50 . . . 25 Glu C . 25 Glu HB2 . 15725 3 26 3JC_HB . 1 1 24 24 GLU C C 13 . . 1 1 24 24 GLU HB3 H 1 . 1.76 . . 0.50 . . . 25 Glu C . 25 Glu HB3 . 15725 3 27 3JC_HB . 1 1 25 25 LEU C C 13 . . 1 1 25 25 LEU HB2 H 1 . 1.08 . . 0.50 . . . 26 Leu C . 26 Leu HB2 . 15725 3 28 3JC_HB . 1 1 25 25 LEU C C 13 . . 1 1 25 25 LEU HB3 H 1 . 1.56 . . 0.50 . . . 26 Leu C . 26 Leu HB3 . 15725 3 29 3JC_HB . 1 1 26 26 ALA C C 13 . . 1 1 26 26 ALA HB H 1 . 4.06 . . 0.50 . . . 27 Ala C . 27 Ala HB . 15725 3 30 3JC_HB . 1 1 27 27 ASP C C 13 . . 1 1 27 27 ASP HB2 H 1 . 2.05 . . 0.50 . . . 28 Asp C . 28 Asp HB2 . 15725 3 31 3JC_HB . 1 1 27 27 ASP C C 13 . . 1 1 27 27 ASP HB3 H 1 . 2.66 . . 0.50 . . . 28 Asp C . 28 Asp HB3 . 15725 3 32 3JC_HB . 1 1 28 28 ALA C C 13 . . 1 1 28 28 ALA HB H 1 . 4.22 . . 0.50 . . . 29 Ala C . 29 Ala HB . 15725 3 33 3JC_HB . 1 1 30 30 TYR C C 13 . . 1 1 30 30 TYR HB2 H 1 . 1.70 . . 0.50 . . . 31 Tyr C . 31 Tyr HB2 . 15725 3 34 3JC_HB . 1 1 30 30 TYR C C 13 . . 1 1 30 30 TYR HB3 H 1 . 1.91 . . 0.50 . . . 31 Tyr C . 31 Tyr HB3 . 15725 3 35 3JC_HB . 1 1 31 31 GLU C C 13 . . 1 1 31 31 GLU HB3 H 1 . 4.01 . . 0.50 . . . 32 Glu C . 32 Glu HB3 . 15725 3 36 3JC_HB . 1 1 32 32 VAL C C 13 . . 1 1 32 32 VAL HB H 1 . 2.09 . . 0.50 . . . 33 Val C . 33 Val HB . 15725 3 37 3JC_HB . 1 1 33 33 ASP C C 13 . . 1 1 33 33 ASP HB2 H 1 . 5.92 . . 0.50 . . . 34 Asp C . 34 Asp HB2 . 15725 3 38 3JC_HB . 1 1 33 33 ASP C C 13 . . 1 1 33 33 ASP HB3 H 1 . 3.01 . . 0.50 . . . 34 Asp C . 34 Asp HB3 . 15725 3 39 3JC_HB . 1 1 34 34 SER C C 13 . . 1 1 34 34 SER HB2 H 1 . 4.94 . . 0.50 . . . 35 Ser C . 35 Ser HB2 . 15725 3 40 3JC_HB . 1 1 34 34 SER C C 13 . . 1 1 34 34 SER HB3 H 1 . 2.02 . . 0.50 . . . 35 Ser C . 35 Ser HB3 . 15725 3 41 3JC_HB . 1 1 35 35 ARG C C 13 . . 1 1 35 35 ARG HB2 H 1 . 2.92 . . 0.50 . . . 36 Arg C . 36 Arg HB2 . 15725 3 42 3JC_HB . 1 1 36 36 ASP C C 13 . . 1 1 36 36 ASP HB2 H 1 . 4.42 . . 0.50 . . . 37 Asp C . 37 Asp HB2 . 15725 3 43 3JC_HB . 1 1 37 37 ALA C C 13 . . 1 1 37 37 ALA HB H 1 . 3.98 . . 0.50 . . . 38 Ala C . 38 Ala HB . 15725 3 44 3JC_HB . 1 1 38 38 ALA C C 13 . . 1 1 38 38 ALA HB H 1 . 4.11 . . 0.50 . . . 39 Ala C . 39 Ala HB . 15725 3 45 3JC_HB . 1 1 39 39 SER C C 13 . . 1 1 39 39 SER HB3 H 1 . 3.53 . . 0.50 . . . 40 Ser C . 40 Ser HB3 . 15725 3 46 3JC_HB . 1 1 40 40 VAL C C 13 . . 1 1 40 40 VAL HB H 1 . 0.84 . . 0.50 . . . 41 Val C . 41 Val HB . 15725 3 47 3JC_HB . 1 1 41 41 GLU C C 13 . . 1 1 41 41 GLU HB2 H 1 . 2.44 . . 0.50 . . . 42 Glu C . 42 Glu HB2 . 15725 3 48 3JC_HB . 1 1 41 41 GLU C C 13 . . 1 1 41 41 GLU HB3 H 1 . 1.58 . . 0.50 . . . 42 Glu C . 42 Glu HB3 . 15725 3 49 3JC_HB . 1 1 42 42 ALA C C 13 . . 1 1 42 42 ALA HB H 1 . 3.91 . . 0.50 . . . 43 Ala C . 43 Ala HB . 15725 3 50 3JC_HB . 1 1 45 45 LEU C C 13 . . 1 1 45 45 LEU HB2 H 1 . 5.92 . . 0.50 . . . 46 Leu C . 46 Leu HB2 . 15725 3 51 3JC_HB . 1 1 45 45 LEU C C 13 . . 1 1 45 45 LEU HB3 H 1 . 2.06 . . 0.50 . . . 46 Leu C . 46 Leu HB3 . 15725 3 52 3JC_HB . 1 1 46 46 PHE C C 13 . . 1 1 46 46 PHE HB2 H 1 . 1.66 . . 0.50 . . . 47 Phe C . 47 Phe HB2 . 15725 3 53 3JC_HB . 1 1 46 46 PHE C C 13 . . 1 1 46 46 PHE HB3 H 1 . 1.48 . . 0.50 . . . 47 Phe C . 47 Phe HB3 . 15725 3 54 3JC_HB . 1 1 49 49 PHE C C 13 . . 1 1 49 49 PHE HB2 H 1 . 1.11 . . 0.50 . . . 50 Phe C . 50 Phe HB2 . 15725 3 55 3JC_HB . 1 1 49 49 PHE C C 13 . . 1 1 49 49 PHE HB3 H 1 . 1.71 . . 0.50 . . . 50 Phe C . 50 Phe HB3 . 15725 3 56 3JC_HB . 1 1 50 50 ASP C C 13 . . 1 1 50 50 ASP HB2 H 1 . 1.85 . . 0.50 . . . 51 Asp C . 51 Asp HB2 . 15725 3 57 3JC_HB . 1 1 52 52 VAL C C 13 . . 1 1 52 52 VAL HB H 1 . 2.22 . . 0.50 . . . 53 Val C . 53 Val HB . 15725 3 58 3JC_HB . 1 1 53 53 LEU C C 13 . . 1 1 53 53 LEU HB2 H 1 . 1.69 . . 0.50 . . . 54 Leu C . 54 Leu HB2 . 15725 3 59 3JC_HB . 1 1 54 54 LEU C C 13 . . 1 1 54 54 LEU HB2 H 1 . 0.98 . . 0.50 . . . 55 Leu C . 55 Leu HB2 . 15725 3 60 3JC_HB . 1 1 54 54 LEU C C 13 . . 1 1 54 54 LEU HB3 H 1 . 2.20 . . 0.50 . . . 55 Leu C . 55 Leu HB3 . 15725 3 61 3JC_HB . 1 1 56 56 CYS C C 13 . . 1 1 56 56 CYS HB2 H 1 . 5.24 . . 0.50 . . . 57 Cys C . 57 Cys HB2 . 15725 3 62 3JC_HB . 1 1 56 56 CYS C C 13 . . 1 1 56 56 CYS HB3 H 1 . 2.75 . . 0.50 . . . 57 Cys C . 57 Cys HB3 . 15725 3 63 3JC_HB . 1 1 57 57 SER C C 13 . . 1 1 57 57 SER HB2 H 1 . 2.05 . . 0.50 . . . 58 Ser C . 58 Ser HB2 . 15725 3 64 3JC_HB . 1 1 57 57 SER C C 13 . . 1 1 57 57 SER HB3 H 1 . 6.37 . . 0.50 . . . 58 Ser C . 58 Ser HB3 . 15725 3 65 3JC_HB . 1 1 58 58 THR C C 13 . . 1 1 58 58 THR HB H 1 . 0.16 . . 0.50 . . . 59 Thr C . 59 Thr HB . 15725 3 66 3JC_HB . 1 1 59 59 TRP C C 13 . . 1 1 59 59 TRP HB2 H 1 . 1.19 . . 0.50 . . . 60 Trp C . 60 Trp HB2 . 15725 3 67 3JC_HB . 1 1 59 59 TRP C C 13 . . 1 1 59 59 TRP HB3 H 1 . 2.51 . . 0.50 . . . 60 Trp C . 60 Trp HB3 . 15725 3 68 3JC_HB . 1 1 61 61 ASP C C 13 . . 1 1 61 61 ASP HB2 H 1 . 4.08 . . 0.50 . . . 62 Asp C . 62 Asp HB2 . 15725 3 69 3JC_HB . 1 1 61 61 ASP C C 13 . . 1 1 61 61 ASP HB3 H 1 . 2.83 . . 0.50 . . . 62 Asp C . 62 Asp HB3 . 15725 3 70 3JC_HB . 1 1 62 62 ASP C C 13 . . 1 1 62 62 ASP HB2 H 1 . 3.37 . . 0.50 . . . 63 Asp C . 63 Asp HB2 . 15725 3 71 3JC_HB . 1 1 62 62 ASP C C 13 . . 1 1 62 62 ASP HB3 H 1 . 2.35 . . 0.50 . . . 63 Asp C . 63 Asp HB3 . 15725 3 72 3JC_HB . 1 1 63 63 SER C C 13 . . 1 1 63 63 SER HB2 H 1 . 1.94 . . 0.50 . . . 64 Ser C . 64 Ser HB2 . 15725 3 73 3JC_HB . 1 1 63 63 SER C C 13 . . 1 1 63 63 SER HB3 H 1 . 5.33 . . 0.50 . . . 64 Ser C . 64 Ser HB3 . 15725 3 74 3JC_HB . 1 1 64 64 ILE C C 13 . . 1 1 64 64 ILE HB H 1 . 1.65 . . 0.50 . . . 65 Ile C . 65 Ile HB . 15725 3 75 3JC_HB . 1 1 65 65 GLU C C 13 . . 1 1 65 65 GLU HB2 H 1 . 2.55 . . 0.50 . . . 66 Glu C . 66 Glu HB2 . 15725 3 76 3JC_HB . 1 1 66 66 LEU C C 13 . . 1 1 66 66 LEU HB3 H 1 . 1.83 . . 0.50 . . . 67 Leu C . 67 Leu HB3 . 15725 3 77 3JC_HB . 1 1 67 67 GLN C C 13 . . 1 1 67 67 GLN HB2 H 1 . 6.03 . . 0.50 . . . 68 Gln C . 68 Gln HB2 . 15725 3 78 3JC_HB . 1 1 67 67 GLN C C 13 . . 1 1 67 67 GLN HB3 H 1 . 3.01 . . 0.50 . . . 68 Gln C . 68 Gln HB3 . 15725 3 79 3JC_HB . 1 1 68 68 ASP C C 13 . . 1 1 68 68 ASP HB2 H 1 . 2.10 . . 0.50 . . . 69 Asp C . 69 Asp HB2 . 15725 3 80 3JC_HB . 1 1 68 68 ASP C C 13 . . 1 1 68 68 ASP HB3 H 1 . 2.73 . . 0.50 . . . 69 Asp C . 69 Asp HB3 . 15725 3 81 3JC_HB . 1 1 69 69 ASP C C 13 . . 1 1 69 69 ASP HB2 H 1 . 1.96 . . 0.50 . . . 70 Asp C . 70 Asp HB2 . 15725 3 82 3JC_HB . 1 1 70 70 PHE C C 13 . . 1 1 70 70 PHE HB2 H 1 . 5.20 . . 0.50 . . . 71 Phe C . 71 Phe HB2 . 15725 3 83 3JC_HB . 1 1 70 70 PHE C C 13 . . 1 1 70 70 PHE HB3 H 1 . 3.40 . . 0.50 . . . 71 Phe C . 71 Phe HB3 . 15725 3 84 3JC_HB . 1 1 71 71 ILE C C 13 . . 1 1 71 71 ILE HB H 1 . 1.46 . . 0.50 . . . 72 Ile C . 72 Ile HB . 15725 3 85 3JC_HB . 1 1 72 72 PRO C C 13 . . 1 1 72 72 PRO HB2 H 1 . 4.12 . . 0.50 . . . 73 Pro C . 73 Pro HB2 . 15725 3 86 3JC_HB . 1 1 72 72 PRO C C 13 . . 1 1 72 72 PRO HB3 H 1 . 1.51 . . 0.50 . . . 73 Pro C . 73 Pro HB3 . 15725 3 87 3JC_HB . 1 1 73 73 LEU C C 13 . . 1 1 73 73 LEU HB2 H 1 . 6.00 . . 0.50 . . . 74 Leu C . 74 Leu HB2 . 15725 3 88 3JC_HB . 1 1 73 73 LEU C C 13 . . 1 1 73 73 LEU HB3 H 1 . 2.32 . . 0.50 . . . 74 Leu C . 74 Leu HB3 . 15725 3 89 3JC_HB . 1 1 74 74 PHE C C 13 . . 1 1 74 74 PHE HB2 H 1 . 6.76 . . 0.50 . . . 75 Phe C . 75 Phe HB2 . 15725 3 90 3JC_HB . 1 1 74 74 PHE C C 13 . . 1 1 74 74 PHE HB3 H 1 . 2.40 . . 0.50 . . . 75 Phe C . 75 Phe HB3 . 15725 3 91 3JC_HB . 1 1 77 77 LEU C C 13 . . 1 1 77 77 LEU HB2 H 1 . 3.18 . . 0.50 . . . 78 Leu C . 78 Leu HB2 . 15725 3 92 3JC_HB . 1 1 77 77 LEU C C 13 . . 1 1 77 77 LEU HB3 H 1 . 2.80 . . 0.50 . . . 78 Leu C . 78 Leu HB3 . 15725 3 93 3JC_HB . 1 1 79 79 GLU C C 13 . . 1 1 79 79 GLU HB3 H 1 . 1.10 . . 0.50 . . . 80 Glu C . 80 Glu HB3 . 15725 3 94 3JC_HB . 1 1 82 82 ALA C C 13 . . 1 1 82 82 ALA HB H 1 . 3.94 . . 0.50 . . . 83 Ala C . 83 Ala HB . 15725 3 95 3JC_HB . 1 1 83 83 GLN C C 13 . . 1 1 83 83 GLN HB2 H 1 . 5.17 . . 0.50 . . . 84 Gln C . 84 Gln HB2 . 15725 3 96 3JC_HB . 1 1 83 83 GLN C C 13 . . 1 1 83 83 GLN HB3 H 1 . 2.81 . . 0.50 . . . 84 Gln C . 84 Gln HB3 . 15725 3 97 3JC_HB . 1 1 85 85 ARG C C 13 . . 1 1 85 85 ARG HB2 H 1 . 4.01 . . 0.50 . . . 86 Arg C . 86 Arg HB2 . 15725 3 98 3JC_HB . 1 1 85 85 ARG C C 13 . . 1 1 85 85 ARG HB3 H 1 . 2.90 . . 0.50 . . . 86 Arg C . 86 Arg HB3 . 15725 3 99 3JC_HB . 1 1 86 86 LYS C C 13 . . 1 1 86 86 LYS HB2 H 1 . 2.23 . . 0.50 . . . 87 Lys C . 87 Lys HB2 . 15725 3 100 3JC_HB . 1 1 86 86 LYS C C 13 . . 1 1 86 86 LYS HB3 H 1 . 1.16 . . 0.50 . . . 87 Lys C . 87 Lys HB3 . 15725 3 101 3JC_HB . 1 1 87 87 VAL C C 13 . . 1 1 87 87 VAL HB H 1 . 1.90 . . 0.50 . . . 88 Val C . 88 Val HB . 15725 3 102 3JC_HB . 1 1 88 88 ALA C C 13 . . 1 1 88 88 ALA HB H 1 . 3.83 . . 0.50 . . . 89 Ala C . 89 Ala HB . 15725 3 103 3JC_HB . 1 1 90 90 PHE C C 13 . . 1 1 90 90 PHE HB3 H 1 . 5.22 . . 0.50 . . . 91 Phe C . 91 Phe HB3 . 15725 3 104 3JC_HB . 1 1 95 95 SER C C 13 . . 1 1 95 95 SER HB2 H 1 . 1.54 . . 0.50 . . . 96 Ser C . 96 Ser HB2 . 15725 3 105 3JC_HB . 1 1 95 95 SER C C 13 . . 1 1 95 95 SER HB3 H 1 . 5.23 . . 0.50 . . . 96 Ser C . 96 Ser HB3 . 15725 3 106 3JC_HB . 1 1 96 96 SER C C 13 . . 1 1 96 96 SER HB2 H 1 . 1.64 . . 0.50 . . . 97 Ser C . 97 Ser HB2 . 15725 3 107 3JC_HB . 1 1 96 96 SER C C 13 . . 1 1 96 96 SER HB3 H 1 . 3.17 . . 0.50 . . . 97 Ser C . 97 Ser HB3 . 15725 3 108 3JC_HB . 1 1 97 97 TYR C C 13 . . 1 1 97 97 TYR HB2 H 1 . 1.64 . . 0.50 . . . 98 Tyr C . 98 Tyr HB2 . 15725 3 109 3JC_HB . 1 1 100 100 PHE C C 13 . . 1 1 100 100 PHE HB2 H 1 . 7.20 . . 0.50 . . . 101 Phe C . 101 Phe HB2 . 15725 3 110 3JC_HB . 1 1 101 101 CYS C C 13 . . 1 1 101 101 CYS HB2 H 1 . 0.15 . . 0.50 . . . 102 Cys C . 102 Cys HB2 . 15725 3 111 3JC_HB . 1 1 103 103 ALA C C 13 . . 1 1 103 103 ALA HB H 1 . 3.94 . . 0.50 . . . 104 Ala C . 104 Ala HB . 15725 3 112 3JC_HB . 1 1 104 104 VAL C C 13 . . 1 1 104 104 VAL HB H 1 . 1.88 . . 0.50 . . . 105 Val C . 105 Val HB . 15725 3 113 3JC_HB . 1 1 106 106 ALA C C 13 . . 1 1 106 106 ALA HB H 1 . 3.92 . . 0.50 . . . 107 Ala C . 107 Ala HB . 15725 3 114 3JC_HB . 1 1 107 107 ILE C C 13 . . 1 1 107 107 ILE HB H 1 . 1.18 . . 0.50 . . . 108 Ile C . 108 Ile HB . 15725 3 115 3JC_HB . 1 1 108 108 GLU C C 13 . . 1 1 108 108 GLU HB2 H 1 . 1.47 . . 0.50 . . . 109 Glu C . 109 Glu HB2 . 15725 3 116 3JC_HB . 1 1 108 108 GLU C C 13 . . 1 1 108 108 GLU HB3 H 1 . 2.11 . . 0.50 . . . 109 Glu C . 109 Glu HB3 . 15725 3 117 3JC_HB . 1 1 110 110 LYS C C 13 . . 1 1 110 110 LYS HB2 H 1 . 5.72 . . 0.50 . . . 111 Lys C . 111 Lys HB2 . 15725 3 118 3JC_HB . 1 1 110 110 LYS C C 13 . . 1 1 110 110 LYS HB3 H 1 . 3.06 . . 0.50 . . . 111 Lys C . 111 Lys HB3 . 15725 3 119 3JC_HB . 1 1 111 111 LEU C C 13 . . 1 1 111 111 LEU HB2 H 1 . 1.01 . . 0.50 . . . 112 Leu C . 112 Leu HB2 . 15725 3 120 3JC_HB . 1 1 111 111 LEU C C 13 . . 1 1 111 111 LEU HB3 H 1 . 1.64 . . 0.50 . . . 112 Leu C . 112 Leu HB3 . 15725 3 121 3JC_HB . 1 1 113 113 ASN C C 13 . . 1 1 113 113 ASN HB2 H 1 . 2.31 . . 0.50 . . . 114 Asn C . 114 Asn HB2 . 15725 3 122 3JC_HB . 1 1 113 113 ASN C C 13 . . 1 1 113 113 ASN HB3 H 1 . 1.60 . . 0.50 . . . 114 Asn C . 114 Asn HB3 . 15725 3 123 3JC_HB . 1 1 114 114 LEU C C 13 . . 1 1 114 114 LEU HB2 H 1 . 1.67 . . 0.50 . . . 115 Leu C . 115 Leu HB2 . 15725 3 124 3JC_HB . 1 1 114 114 LEU C C 13 . . 1 1 114 114 LEU HB3 H 1 . 1.82 . . 0.50 . . . 115 Leu C . 115 Leu HB3 . 15725 3 125 3JC_HB . 1 1 116 116 ALA C C 13 . . 1 1 116 116 ALA HB H 1 . 3.66 . . 0.50 . . . 117 Ala C . 117 Ala HB . 15725 3 126 3JC_HB . 1 1 117 117 GLU C C 13 . . 1 1 117 117 GLU HB2 H 1 . 5.02 . . 0.50 . . . 118 Glu C . 118 Glu HB2 . 15725 3 127 3JC_HB . 1 1 117 117 GLU C C 13 . . 1 1 117 117 GLU HB3 H 1 . 1.78 . . 0.50 . . . 118 Glu C . 118 Glu HB3 . 15725 3 128 3JC_HB . 1 1 118 118 ILE C C 13 . . 1 1 118 118 ILE HB H 1 . 1.15 . . 0.50 . . . 119 Ile C . 119 Ile HB . 15725 3 129 3JC_HB . 1 1 119 119 VAL C C 13 . . 1 1 119 119 VAL HB H 1 . 1.08 . . 0.50 . . . 120 Val C . 120 Val HB . 15725 3 130 3JC_HB . 1 1 121 121 ASP C C 13 . . 1 1 121 121 ASP HB2 H 1 . 2.11 . . 0.50 . . . 122 Asp C . 122 Asp HB2 . 15725 3 131 3JC_HB . 1 1 121 121 ASP C C 13 . . 1 1 121 121 ASP HB3 H 1 . 1.17 . . 0.50 . . . 122 Asp C . 122 Asp HB3 . 15725 3 132 3JC_HB . 1 1 123 123 LEU C C 13 . . 1 1 123 123 LEU HB2 H 1 . 6.07 . . 0.50 . . . 124 Leu C . 124 Leu HB2 . 15725 3 133 3JC_HB . 1 1 123 123 LEU C C 13 . . 1 1 123 123 LEU HB3 H 1 . 1.60 . . 0.50 . . . 124 Leu C . 124 Leu HB3 . 15725 3 134 3JC_HB . 1 1 125 125 ILE C C 13 . . 1 1 125 125 ILE HB H 1 . 1.38 . . 0.50 . . . 126 Ile C . 126 Ile HB . 15725 3 135 3JC_HB . 1 1 126 126 ASP C C 13 . . 1 1 126 126 ASP HB2 H 1 . 6.58 . . 0.50 . . . 127 Asp C . 127 Asp HB2 . 15725 3 136 3JC_HB . 1 1 126 126 ASP C C 13 . . 1 1 126 126 ASP HB3 H 1 . 2.67 . . 0.50 . . . 127 Asp C . 127 Asp HB3 . 15725 3 137 3JC_HB . 1 1 128 128 ASP C C 13 . . 1 1 128 128 ASP HB2 H 1 . 2.57 . . 0.50 . . . 129 Asp C . 129 Asp HB2 . 15725 3 138 3JC_HB . 1 1 130 130 ARG C C 13 . . 1 1 130 130 ARG HB2 H 1 . 1.05 . . 0.50 . . . 131 Arg C . 131 Arg HB2 . 15725 3 139 3JC_HB . 1 1 130 130 ARG C C 13 . . 1 1 130 130 ARG HB3 H 1 . 1.04 . . 0.50 . . . 131 Arg C . 131 Arg HB3 . 15725 3 140 3JC_HB . 1 1 131 131 ALA C C 13 . . 1 1 131 131 ALA HB H 1 . 4.09 . . 0.50 . . . 132 Ala C . 132 Ala HB . 15725 3 141 3JC_HB . 1 1 132 132 ALA C C 13 . . 1 1 132 132 ALA HB H 1 . 3.89 . . 0.50 . . . 133 Ala C . 133 Ala HB . 15725 3 142 3JC_HB . 1 1 133 133 ARG C C 13 . . 1 1 133 133 ARG HB2 H 1 . 6.28 . . 0.50 . . . 134 Arg C . 134 Arg HB2 . 15725 3 143 3JC_HB . 1 1 133 133 ARG C C 13 . . 1 1 133 133 ARG HB3 H 1 . 2.24 . . 0.50 . . . 134 Arg C . 134 Arg HB3 . 15725 3 144 3JC_HB . 1 1 135 135 ASP C C 13 . . 1 1 135 135 ASP HB3 H 1 . 1.48 . . 0.50 . . . 136 Asp C . 136 Asp HB3 . 15725 3 145 3JC_HB . 1 1 136 136 ILE C C 13 . . 1 1 136 136 ILE HB H 1 . 1.13 . . 0.50 . . . 137 Ile C . 137 Ile HB . 15725 3 146 3JC_HB . 1 1 137 137 VAL C C 13 . . 1 1 137 137 VAL HB H 1 . 1.95 . . 0.50 . . . 138 Val C . 138 Val HB . 15725 3 147 3JC_HB . 1 1 140 140 ALA C C 13 . . 1 1 140 140 ALA HB H 1 . 3.94 . . 0.50 . . . 141 Ala C . 141 Ala HB . 15725 3 148 3JC_HB . 1 1 142 142 ASP C C 13 . . 1 1 142 142 ASP HB3 H 1 . 1.42 . . 0.50 . . . 143 Asp C . 143 Asp HB3 . 15725 3 149 3JC_HB . 1 1 143 143 VAL C C 13 . . 1 1 143 143 VAL HB H 1 . 2.73 . . 0.50 . . . 144 Val C . 144 Val HB . 15725 3 150 3JC_HB . 1 1 144 144 ARG C C 13 . . 1 1 144 144 ARG HB2 H 1 . 1.83 . . 0.50 . . . 145 Arg C . 145 Arg HB2 . 15725 3 151 3JC_HB . 1 1 144 144 ARG C C 13 . . 1 1 144 144 ARG HB3 H 1 . 2.77 . . 0.50 . . . 145 Arg C . 145 Arg HB3 . 15725 3 152 3JC_HB . 1 1 146 146 ALA C C 13 . . 1 1 146 146 ALA HB H 1 . 4.11 . . 0.50 . . . 147 Ala C . 147 Ala HB . 15725 3 153 3JC_HB . 1 1 147 147 ILE C C 13 . . 1 1 147 147 ILE HB H 1 . 1.77 . . 0.50 . . . 148 Ile C . 148 Ile HB . 15725 3 stop_ save_ save_3JHACG _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHACG _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 4 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 6 '3D HCGHA' . . . 15725 4 7 '3D ct-HTQC-COSY' . . . 15725 4 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHACG . 1 1 2 2 LYS HA H 1 . . 1 1 2 2 LYS CG C 13 . 1.65 . . 0.50 . . . 3 Lys HA . 3 Lys CG . 15725 4 2 3JHACG . 1 1 5 5 ILE HA H 1 . . 1 1 5 5 ILE CG2 C 13 . 1.55 . . 0.50 . . . 6 Ile HA . 6 Ile CG2 . 15725 4 3 3JHACG . 1 1 6 6 VAL HA H 1 . . 1 1 6 6 VAL CG1 C 13 . 1.74 . . 0.50 . . . 7 Val HA . 7 Val CG1 . 15725 4 4 3JHACG . 1 1 6 6 VAL HA H 1 . . 1 1 6 6 VAL CG2 C 13 . 1.89 . . 0.50 . . . 7 Val HA . 7 Val CG2 . 15725 4 5 3JHACG . 1 1 7 7 TYR HA H 1 . . 1 1 7 7 TYR CG C 13 . 6.30 . . 0.50 . . . 8 Tyr HA . 8 Tyr CG . 15725 4 6 3JHACG . 1 1 11 11 THR HA H 1 . . 1 1 11 11 THR CG2 C 13 . 0.91 . . 0.50 . . . 12 Thr HA . 12 Thr CG2 . 15725 4 7 3JHACG . 1 1 13 13 ASN HA H 1 . . 1 1 13 13 ASN CG C 13 . 4.05 . . 0.50 . . . 14 Asn HA . 14 Asn CG . 15725 4 8 3JHACG . 1 1 14 14 THR HA H 1 . . 1 1 14 14 THR CG2 C 13 . 2.65 . . 0.50 . . . 15 Thr HA . 15 Thr CG2 . 15725 4 9 3JHACG . 1 1 16 16 TYR HA H 1 . . 1 1 16 16 TYR CG C 13 . 0.13 . . 0.50 . . . 17 Tyr HA . 17 Tyr CG . 15725 4 10 3JHACG . 1 1 17 17 THR HA H 1 . . 1 1 17 17 THR CG2 C 13 . 2.08 . . 0.50 . . . 18 Thr HA . 18 Thr CG2 . 15725 4 11 3JHACG . 1 1 19 19 GLU HA H 1 . . 1 1 19 19 GLU CG C 13 . 2.03 . . 0.50 . . . 20 Glu HA . 20 Glu CG . 15725 4 12 3JHACG . 1 1 20 20 THR HA H 1 . . 1 1 20 20 THR CG2 C 13 . 2.27 . . 0.50 . . . 21 Thr HA . 21 Thr CG2 . 15725 4 13 3JHACG . 1 1 21 21 ILE HA H 1 . . 1 1 21 21 ILE CG2 C 13 . 1.20 . . 0.50 . . . 22 Ile HA . 22 Ile CG2 . 15725 4 14 3JHACG . 1 1 23 23 ARG HA H 1 . . 1 1 23 23 ARG CG C 13 . 1.66 . . 0.50 . . . 24 Arg HA . 24 Arg CG . 15725 4 15 3JHACG . 1 1 27 27 ASP HA H 1 . . 1 1 27 27 ASP CG C 13 . 4.23 . . 0.50 . . . 28 Asp HA . 28 Asp CG . 15725 4 16 3JHACG . 1 1 30 30 TYR HA H 1 . . 1 1 30 30 TYR CG C 13 . 2.81 . . 0.50 . . . 31 Tyr HA . 31 Tyr CG . 15725 4 17 3JHACG . 1 1 31 31 GLU HA H 1 . . 1 1 31 31 GLU CG C 13 . 1.73 . . 0.50 . . . 32 Glu HA . 32 Glu CG . 15725 4 18 3JHACG . 1 1 32 32 VAL HA H 1 . . 1 1 32 32 VAL CG1 C 13 . 1.97 . . 0.50 . . . 33 Val HA . 33 Val CG1 . 15725 4 19 3JHACG . 1 1 32 32 VAL HA H 1 . . 1 1 32 32 VAL CG2 C 13 . 2.75 . . 0.50 . . . 33 Val HA . 33 Val CG2 . 15725 4 20 3JHACG . 1 1 33 33 ASP HA H 1 . . 1 1 33 33 ASP CG C 13 . 2.00 . . 0.50 . . . 34 Asp HA . 34 Asp CG . 15725 4 21 3JHACG . 1 1 36 36 ASP HA H 1 . . 1 1 36 36 ASP CG C 13 . 2.94 . . 0.50 . . . 37 Asp HA . 37 Asp CG . 15725 4 22 3JHACG . 1 1 40 40 VAL HA H 1 . . 1 1 40 40 VAL CG1 C 13 . 1.75 . . 0.50 . . . 41 Val HA . 41 Val CG1 . 15725 4 23 3JHACG . 1 1 40 40 VAL HA H 1 . . 1 1 40 40 VAL CG2 C 13 . 5.44 . . 0.50 . . . 41 Val HA . 41 Val CG2 . 15725 4 24 3JHACG . 1 1 46 46 PHE HA H 1 . . 1 1 46 46 PHE CG C 13 . 2.20 . . 0.50 . . . 47 Phe HA . 47 Phe CG . 15725 4 25 3JHACG . 1 1 47 47 GLU HA H 1 . . 1 1 47 47 GLU CG C 13 . 2.10 . . 0.50 . . . 48 Glu HA . 48 Glu CG . 15725 4 26 3JHACG . 1 1 49 49 PHE HA H 1 . . 1 1 49 49 PHE CG C 13 . 2.98 . . 0.50 . . . 50 Phe HA . 50 Phe CG . 15725 4 27 3JHACG . 1 1 50 50 ASP HA H 1 . . 1 1 50 50 ASP CG C 13 . 2.18 . . 0.50 . . . 51 Asp HA . 51 Asp CG . 15725 4 28 3JHACG . 1 1 52 52 VAL HA H 1 . . 1 1 52 52 VAL CG1 C 13 . 1.21 . . 0.50 . . . 53 Val HA . 53 Val CG1 . 15725 4 29 3JHACG . 1 1 52 52 VAL HA H 1 . . 1 1 52 52 VAL CG2 C 13 . 2.71 . . 0.50 . . . 53 Val HA . 53 Val CG2 . 15725 4 30 3JHACG . 1 1 58 58 THR HA H 1 . . 1 1 58 58 THR CG2 C 13 . 1.52 . . 0.50 . . . 59 Thr HA . 59 Thr CG2 . 15725 4 31 3JHACG . 1 1 59 59 TRP HA H 1 . . 1 1 59 59 TRP CG C 13 . 2.93 . . 0.50 . . . 60 Trp HA . 60 Trp CG . 15725 4 32 3JHACG . 1 1 61 61 ASP HA H 1 . . 1 1 61 61 ASP CG C 13 . 2.72 . . 0.50 . . . 62 Asp HA . 62 Asp CG . 15725 4 33 3JHACG . 1 1 62 62 ASP HA H 1 . . 1 1 62 62 ASP CG C 13 . 4.26 . . 0.50 . . . 63 Asp HA . 63 Asp CG . 15725 4 34 3JHACG . 1 1 64 64 ILE HA H 1 . . 1 1 64 64 ILE CG2 C 13 . 2.09 . . 0.50 . . . 65 Ile HA . 65 Ile CG2 . 15725 4 35 3JHACG . 1 1 65 65 GLU HA H 1 . . 1 1 65 65 GLU CG C 13 . 2.06 . . 0.50 . . . 66 Glu HA . 66 Glu CG . 15725 4 36 3JHACG . 1 1 66 66 LEU HA H 1 . . 1 1 66 66 LEU CG C 13 . 2.44 . . 0.50 . . . 67 Leu HA . 67 Leu CG . 15725 4 37 3JHACG . 1 1 68 68 ASP HA H 1 . . 1 1 68 68 ASP CG C 13 . 3.33 . . 0.50 . . . 69 Asp HA . 69 Asp CG . 15725 4 38 3JHACG . 1 1 69 69 ASP HA H 1 . . 1 1 69 69 ASP CG C 13 . 2.26 . . 0.50 . . . 70 Asp HA . 70 Asp CG . 15725 4 39 3JHACG . 1 1 70 70 PHE HA H 1 . . 1 1 70 70 PHE CG C 13 . 3.32 . . 0.50 . . . 71 Phe HA . 71 Phe CG . 15725 4 40 3JHACG . 1 1 71 71 ILE HA H 1 . . 1 1 71 71 ILE CG2 C 13 . 1.00 . . 0.50 . . . 72 Ile HA . 72 Ile CG2 . 15725 4 41 3JHACG . 1 1 74 74 PHE HA H 1 . . 1 1 74 74 PHE CG C 13 . 1.44 . . 0.50 . . . 75 Phe HA . 75 Phe CG . 15725 4 42 3JHACG . 1 1 75 75 ASP HA H 1 . . 1 1 75 75 ASP CG C 13 . 3.50 . . 0.50 . . . 76 Asp HA . 76 Asp CG . 15725 4 43 3JHACG . 1 1 77 77 LEU HA H 1 . . 1 1 77 77 LEU CG C 13 . 2.90 . . 0.50 . . . 78 Leu HA . 78 Leu CG . 15725 4 44 3JHACG . 1 1 78 78 GLU HA H 1 . . 1 1 78 78 GLU CG C 13 . 3.36 . . 0.50 . . . 79 Glu HA . 79 Glu CG . 15725 4 45 3JHACG . 1 1 79 79 GLU HA H 1 . . 1 1 79 79 GLU CG C 13 . 1.76 . . 0.50 . . . 80 Glu HA . 80 Glu CG . 15725 4 46 3JHACG . 1 1 80 80 THR HA H 1 . . 1 1 80 80 THR CG2 C 13 . 2.25 . . 0.50 . . . 81 Thr HA . 81 Thr CG2 . 15725 4 47 3JHACG . 1 1 83 83 GLN HA H 1 . . 1 1 83 83 GLN CG C 13 . 1.70 . . 0.50 . . . 84 Gln HA . 84 Gln CG . 15725 4 48 3JHACG . 1 1 87 87 VAL HA H 1 . . 1 1 87 87 VAL CG1 C 13 . 2.23 . . 0.50 . . . 88 Val HA . 88 Val CG1 . 15725 4 49 3JHACG . 1 1 87 87 VAL HA H 1 . . 1 1 87 87 VAL CG2 C 13 . 3.93 . . 0.50 . . . 88 Val HA . 88 Val CG2 . 15725 4 50 3JHACG . 1 1 90 90 PHE HA H 1 . . 1 1 90 90 PHE CG C 13 . 7.72 . . 0.50 . . . 91 Phe HA . 91 Phe CG . 15725 4 51 3JHACG . 1 1 94 94 ASP HA H 1 . . 1 1 94 94 ASP CG C 13 . 1.01 . . 0.50 . . . 95 Asp HA . 95 Asp CG . 15725 4 52 3JHACG . 1 1 97 97 TYR HA H 1 . . 1 1 97 97 TYR CG C 13 . 2.87 . . 0.50 . . . 98 Tyr HA . 98 Tyr CG . 15725 4 53 3JHACG . 1 1 99 99 TYR HA H 1 . . 1 1 99 99 TYR CG C 13 . 1.57 . . 0.50 . . . 100 Tyr HA . 100 Tyr CG . 15725 4 54 3JHACG . 1 1 100 100 PHE HA H 1 . . 1 1 100 100 PHE CG C 13 . 1.12 . . 0.50 . . . 101 Phe HA . 101 Phe CG . 15725 4 55 3JHACG . 1 1 104 104 VAL HA H 1 . . 1 1 104 104 VAL CG1 C 13 . 1.57 . . 0.50 . . . 105 Val HA . 105 Val CG1 . 15725 4 56 3JHACG . 1 1 104 104 VAL HA H 1 . . 1 1 104 104 VAL CG2 C 13 . 3.12 . . 0.50 . . . 105 Val HA . 105 Val CG2 . 15725 4 57 3JHACG . 1 1 105 105 ASP HA H 1 . . 1 1 105 105 ASP CG C 13 . 2.08 . . 0.50 . . . 106 Asp HA . 106 Asp CG . 15725 4 58 3JHACG . 1 1 107 107 ILE HA H 1 . . 1 1 107 107 ILE CG2 C 13 . 1.61 . . 0.50 . . . 108 Ile HA . 108 Ile CG2 . 15725 4 59 3JHACG . 1 1 108 108 GLU HA H 1 . . 1 1 108 108 GLU CG C 13 . 1.66 . . 0.50 . . . 109 Glu HA . 109 Glu CG . 15725 4 60 3JHACG . 1 1 109 109 GLU HA H 1 . . 1 1 109 109 GLU CG C 13 . 1.78 . . 0.50 . . . 110 Glu HA . 110 Glu CG . 15725 4 61 3JHACG . 1 1 112 112 LYS HA H 1 . . 1 1 112 112 LYS CG C 13 . 1.96 . . 0.50 . . . 113 Lys HA . 113 Lys CG . 15725 4 62 3JHACG . 1 1 113 113 ASN HA H 1 . . 1 1 113 113 ASN CG C 13 . 3.36 . . 0.50 . . . 114 Asn HA . 114 Asn CG . 15725 4 63 3JHACG . 1 1 117 117 GLU HA H 1 . . 1 1 117 117 GLU CG C 13 . 1.09 . . 0.50 . . . 118 Glu HA . 118 Glu CG . 15725 4 64 3JHACG . 1 1 118 118 ILE HA H 1 . . 1 1 118 118 ILE CG2 C 13 . 2.33 . . 0.50 . . . 119 Ile HA . 119 Ile CG2 . 15725 4 65 3JHACG . 1 1 118 118 ILE HA H 1 . . 1 1 118 118 ILE CG1 C 13 . 1.80 . . 0.50 . . . 119 Ile HA . 119 Ile CG1 . 15725 4 66 3JHACG . 1 1 119 119 VAL HA H 1 . . 1 1 119 119 VAL CG1 C 13 . 1.60 . . 0.50 . . . 120 Val HA . 120 Val CG1 . 15725 4 67 3JHACG . 1 1 119 119 VAL HA H 1 . . 1 1 119 119 VAL CG2 C 13 . 5.38 . . 0.50 . . . 120 Val HA . 120 Val CG2 . 15725 4 68 3JHACG . 1 1 121 121 ASP HA H 1 . . 1 1 121 121 ASP CG C 13 . 3.45 . . 0.50 . . . 122 Asp HA . 122 Asp CG . 15725 4 69 3JHACG . 1 1 125 125 ILE HA H 1 . . 1 1 125 125 ILE CG2 C 13 . 1.29 . . 0.50 . . . 126 Ile HA . 126 Ile CG2 . 15725 4 70 3JHACG . 1 1 126 126 ASP HA H 1 . . 1 1 126 126 ASP CG C 13 . 1.89 . . 0.50 . . . 127 Asp HA . 127 Asp CG . 15725 4 71 3JHACG . 1 1 128 128 ASP HA H 1 . . 1 1 128 128 ASP CG C 13 . 2.09 . . 0.50 . . . 129 Asp HA . 129 Asp CG . 15725 4 72 3JHACG . 1 1 134 134 ASP HA H 1 . . 1 1 134 134 ASP CG C 13 . 4.05 . . 0.50 . . . 135 Asp HA . 135 Asp CG . 15725 4 73 3JHACG . 1 1 135 135 ASP HA H 1 . . 1 1 135 135 ASP CG C 13 . 3.51 . . 0.50 . . . 136 Asp HA . 136 Asp CG . 15725 4 74 3JHACG . 1 1 136 136 ILE HA H 1 . . 1 1 136 136 ILE CG2 C 13 . 1.34 . . 0.50 . . . 137 Ile HA . 137 Ile CG2 . 15725 4 75 3JHACG . 1 1 137 137 VAL HA H 1 . . 1 1 137 137 VAL CG1 C 13 . 0.82 . . 0.50 . . . 138 Val HA . 138 Val CG1 . 15725 4 76 3JHACG . 1 1 137 137 VAL HA H 1 . . 1 1 137 137 VAL CG2 C 13 . 2.03 . . 0.50 . . . 138 Val HA . 138 Val CG2 . 15725 4 77 3JHACG . 1 1 139 139 TRP HA H 1 . . 1 1 139 139 TRP CG C 13 . 1.67 . . 0.50 . . . 140 Trp HA . 140 Trp CG . 15725 4 78 3JHACG . 1 1 141 141 HIS HA H 1 . . 1 1 141 141 HIS CG C 13 . 4.70 . . 0.50 . . . 142 His HA . 142 His CG . 15725 4 79 3JHACG . 1 1 142 142 ASP HA H 1 . . 1 1 142 142 ASP CG C 13 . 3.59 . . 0.50 . . . 143 Asp HA . 143 Asp CG . 15725 4 80 3JHACG . 1 1 143 143 VAL HA H 1 . . 1 1 143 143 VAL CG1 C 13 . 2.23 . . 0.50 . . . 144 Val HA . 144 Val CG1 . 15725 4 81 3JHACG . 1 1 143 143 VAL HA H 1 . . 1 1 143 143 VAL CG2 C 13 . 3.77 . . 0.50 . . . 144 Val HA . 144 Val CG2 . 15725 4 82 3JHACG . 1 1 147 147 ILE HA H 1 . . 1 1 147 147 ILE CG2 C 13 . 1.96 . . 0.50 . . . 148 Ile HA . 148 Ile CG2 . 15725 4 83 3JHACG . 1 1 147 147 ILE HA H 1 . . 1 1 147 147 ILE CG1 C 13 . 3.89 . . 0.50 . . . 148 Ile HA . 148 Ile CG1 . 15725 4 stop_ save_ save_3JN_CG _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JN_CG _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 5 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 8 '3D [15N,1H]-TROSY-HNCG' . . . 15725 5 9 '3D [15N,1H]-TROSY-HN(CO)CG' . . . 15725 5 10 '3D HNCO modified' . . . 15725 5 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JN_CG . 1 1 2 2 LYS N N 15 . . 1 1 2 2 LYS CG C 13 . 0.72 . . 0.50 . . . 3 Lys N . 3 Lys CG . 15725 5 2 3JN_CG . 1 1 4 4 LEU N N 15 . . 1 1 4 4 LEU CG C 13 . 1.58 . . 0.50 . . . 5 Leu N . 5 Leu CG . 15725 5 3 3JN_CG . 1 1 5 5 ILE N N 15 . . 1 1 5 5 ILE CG2 C 13 . 1.95 . . 0.50 . . . 6 Ile N . 6 Ile CG2 . 15725 5 4 3JN_CG . 1 1 5 5 ILE N N 15 . . 1 1 5 5 ILE CG1 C 13 . 0.50 . . 0.50 . . . 6 Ile N . 6 Ile CG1 . 15725 5 5 3JN_CG . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL CG1 C 13 . 1.74 . . 0.50 . . . 7 Val N . 7 Val CG1 . 15725 5 6 3JN_CG . 1 1 7 7 TYR N N 15 . . 1 1 7 7 TYR CG C 13 . 0.50 . . 0.50 . . . 8 Tyr N . 8 Tyr CG . 15725 5 7 3JN_CG . 1 1 10 10 THR N N 15 . . 1 1 10 10 THR CG2 C 13 . 1.62 . . 0.50 . . . 11 Thr N . 11 Thr CG2 . 15725 5 8 3JN_CG . 1 1 11 11 THR N N 15 . . 1 1 11 11 THR CG2 C 13 . 0.74 . . 0.50 . . . 12 Thr N . 12 Thr CG2 . 15725 5 9 3JN_CG . 1 1 14 14 THR N N 15 . . 1 1 14 14 THR CG2 C 13 . 1.52 . . 0.50 . . . 15 Thr N . 15 Thr CG2 . 15725 5 10 3JN_CG . 1 1 15 15 GLU N N 15 . . 1 1 15 15 GLU CG C 13 . 2.32 . . 0.50 . . . 16 Glu N . 16 Glu CG . 15725 5 11 3JN_CG . 1 1 16 16 TYR N N 15 . . 1 1 16 16 TYR CG C 13 . 1.85 . . 0.50 . . . 17 Tyr N . 17 Tyr CG . 15725 5 12 3JN_CG . 1 1 17 17 THR N N 15 . . 1 1 17 17 THR CG2 C 13 . 1.40 . . 0.50 . . . 18 Thr N . 18 Thr CG2 . 15725 5 13 3JN_CG . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU CG C 13 . 0.91 . . 0.50 . . . 20 Glu N . 20 Glu CG . 15725 5 14 3JN_CG . 1 1 20 20 THR N N 15 . . 1 1 20 20 THR CG2 C 13 . 1.72 . . 0.50 . . . 21 Thr N . 21 Thr CG2 . 15725 5 15 3JN_CG . 1 1 21 21 ILE N N 15 . . 1 1 21 21 ILE CG2 C 13 . 2.10 . . 0.50 . . . 22 Ile N . 22 Ile CG2 . 15725 5 16 3JN_CG . 1 1 21 21 ILE N N 15 . . 1 1 21 21 ILE CG1 C 13 . 0.49 . . 0.50 . . . 22 Ile N . 22 Ile CG1 . 15725 5 17 3JN_CG . 1 1 23 23 ARG N N 15 . . 1 1 23 23 ARG CG C 13 . 1.44 . . 0.50 . . . 24 Arg N . 24 Arg CG . 15725 5 18 3JN_CG . 1 1 24 24 GLU N N 15 . . 1 1 24 24 GLU CG C 13 . 0.79 . . 0.50 . . . 25 Glu N . 25 Glu CG . 15725 5 19 3JN_CG . 1 1 30 30 TYR N N 15 . . 1 1 30 30 TYR CG C 13 . 0.50 . . 0.50 . . . 31 Tyr N . 31 Tyr CG . 15725 5 20 3JN_CG . 1 1 31 31 GLU N N 15 . . 1 1 31 31 GLU CG C 13 . 1.15 . . 0.50 . . . 32 Glu N . 32 Glu CG . 15725 5 21 3JN_CG . 1 1 32 32 VAL N N 15 . . 1 1 32 32 VAL CG1 C 13 . 1.57 . . 0.50 . . . 33 Val N . 33 Val CG1 . 15725 5 22 3JN_CG . 1 1 32 32 VAL N N 15 . . 1 1 32 32 VAL CG2 C 13 . 0.39 . . 0.50 . . . 33 Val N . 33 Val CG2 . 15725 5 23 3JN_CG . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP CG C 13 . 2.46 . . 0.50 . . . 34 Asp N . 34 Asp CG . 15725 5 24 3JN_CG . 1 1 35 35 ARG N N 15 . . 1 1 35 35 ARG CG C 13 . 0.48 . . 0.50 . . . 36 Arg N . 36 Arg CG . 15725 5 25 3JN_CG . 1 1 36 36 ASP N N 15 . . 1 1 36 36 ASP CG C 13 . 2.58 . . 0.50 . . . 37 Asp N . 37 Asp CG . 15725 5 26 3JN_CG . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL CG1 C 13 . 0.68 . . 0.50 . . . 41 Val N . 41 Val CG1 . 15725 5 27 3JN_CG . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL CG2 C 13 . 0.44 . . 0.50 . . . 41 Val N . 41 Val CG2 . 15725 5 28 3JN_CG . 1 1 41 41 GLU N N 15 . . 1 1 41 41 GLU CG C 13 . 0.54 . . 0.50 . . . 42 Glu N . 42 Glu CG . 15725 5 29 3JN_CG . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU CG C 13 . 1.50 . . 0.50 . . . 46 Leu N . 46 Leu CG . 15725 5 30 3JN_CG . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE CG C 13 . 0.50 . . 0.50 . . . 47 Phe N . 47 Phe CG . 15725 5 31 3JN_CG . 1 1 47 47 GLU N N 15 . . 1 1 47 47 GLU CG C 13 . 0.85 . . 0.50 . . . 48 Glu N . 48 Glu CG . 15725 5 32 3JN_CG . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU CG C 13 . 1.73 . . 0.50 . . . 52 Leu N . 52 Leu CG . 15725 5 33 3JN_CG . 1 1 52 52 VAL N N 15 . . 1 1 52 52 VAL CG1 C 13 . 1.63 . . 0.50 . . . 53 Val N . 53 Val CG1 . 15725 5 34 3JN_CG . 1 1 52 52 VAL N N 15 . . 1 1 52 52 VAL CG2 C 13 . 0.46 . . 0.50 . . . 53 Val N . 53 Val CG2 . 15725 5 35 3JN_CG . 1 1 58 58 THR N N 15 . . 1 1 58 58 THR CG2 C 13 . 1.35 . . 0.50 . . . 59 Thr N . 59 Thr CG2 . 15725 5 36 3JN_CG . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP CG C 13 . 0.80 . . 0.50 . . . 60 Trp N . 60 Trp CG . 15725 5 37 3JN_CG . 1 1 64 64 ILE N N 15 . . 1 1 64 64 ILE CG2 C 13 . 1.58 . . 0.50 . . . 65 Ile N . 65 Ile CG2 . 15725 5 38 3JN_CG . 1 1 64 64 ILE N N 15 . . 1 1 64 64 ILE CG1 C 13 . 0.70 . . 0.50 . . . 65 Ile N . 65 Ile CG1 . 15725 5 39 3JN_CG . 1 1 67 67 GLN N N 15 . . 1 1 67 67 GLN CG C 13 . 2.59 . . 0.50 . . . 68 Gln N . 68 Gln CG . 15725 5 40 3JN_CG . 1 1 70 70 PHE N N 15 . . 1 1 70 70 PHE CG C 13 . 1.40 . . 0.50 . . . 71 Phe N . 71 Phe CG . 15725 5 41 3JN_CG . 1 1 71 71 ILE N N 15 . . 1 1 71 71 ILE CG2 C 13 . 1.99 . . 0.50 . . . 72 Ile N . 72 Ile CG2 . 15725 5 42 3JN_CG . 1 1 73 73 LEU N N 15 . . 1 1 73 73 LEU CG C 13 . 2.03 . . 0.50 . . . 74 Leu N . 74 Leu CG . 15725 5 43 3JN_CG . 1 1 74 74 PHE N N 15 . . 1 1 74 74 PHE CG C 13 . 2.00 . . 0.50 . . . 75 Phe N . 75 Phe CG . 15725 5 44 3JN_CG . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU CG C 13 . 0.85 . . 0.50 . . . 78 Leu N . 78 Leu CG . 15725 5 45 3JN_CG . 1 1 80 80 THR N N 15 . . 1 1 80 80 THR CG2 C 13 . 0.53 . . 0.50 . . . 81 Thr N . 81 Thr CG2 . 15725 5 46 3JN_CG . 1 1 83 83 GLN N N 15 . . 1 1 83 83 GLN CG C 13 . 1.82 . . 0.50 . . . 84 Gln N . 84 Gln CG . 15725 5 47 3JN_CG . 1 1 85 85 ARG N N 15 . . 1 1 85 85 ARG CG C 13 . 1.19 . . 0.50 . . . 86 Arg N . 86 Arg CG . 15725 5 48 3JN_CG . 1 1 90 90 PHE N N 15 . . 1 1 90 90 PHE CG C 13 . 0.50 . . 0.50 . . . 91 Phe N . 91 Phe CG . 15725 5 49 3JN_CG . 1 1 94 94 ASP N N 15 . . 1 1 94 94 ASP CG C 13 . 2.25 . . 0.50 . . . 95 Asp N . 95 Asp CG . 15725 5 50 3JN_CG . 1 1 97 97 TYR N N 15 . . 1 1 97 97 TYR CG C 13 . 0.40 . . 0.50 . . . 98 Tyr N . 98 Tyr CG . 15725 5 51 3JN_CG . 1 1 98 98 GLU N N 15 . . 1 1 98 98 GLU CG C 13 . 1.00 . . 0.50 . . . 99 Glu N . 99 Glu CG . 15725 5 52 3JN_CG . 1 1 100 100 PHE N N 15 . . 1 1 100 100 PHE CG C 13 . 2.45 . . 0.50 . . . 101 Phe N . 101 Phe CG . 15725 5 53 3JN_CG . 1 1 104 104 VAL N N 15 . . 1 1 104 104 VAL CG1 C 13 . 1.81 . . 0.50 . . . 105 Val N . 105 Val CG1 . 15725 5 54 3JN_CG . 1 1 104 104 VAL N N 15 . . 1 1 104 104 VAL CG2 C 13 . 0.37 . . 0.50 . . . 105 Val N . 105 Val CG2 . 15725 5 55 3JN_CG . 1 1 107 107 ILE N N 15 . . 1 1 107 107 ILE CG2 C 13 . 2.01 . . 0.50 . . . 108 Ile N . 108 Ile CG2 . 15725 5 56 3JN_CG . 1 1 107 107 ILE N N 15 . . 1 1 107 107 ILE CG1 C 13 . 0.35 . . 0.50 . . . 108 Ile N . 108 Ile CG1 . 15725 5 57 3JN_CG . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU CG C 13 . 0.40 . . 0.50 . . . 109 Glu N . 109 Glu CG . 15725 5 58 3JN_CG . 1 1 109 109 GLU N N 15 . . 1 1 109 109 GLU CG C 13 . 1.53 . . 0.50 . . . 110 Glu N . 110 Glu CG . 15725 5 59 3JN_CG . 1 1 110 110 LYS N N 15 . . 1 1 110 110 LYS CG C 13 . 2.18 . . 0.50 . . . 111 Lys N . 111 Lys CG . 15725 5 60 3JN_CG . 1 1 112 112 LYS N N 15 . . 1 1 112 112 LYS CG C 13 . 0.78 . . 0.50 . . . 113 Lys N . 113 Lys CG . 15725 5 61 3JN_CG . 1 1 113 113 ASN N N 15 . . 1 1 113 113 ASN CG C 13 . 0.55 . . 0.50 . . . 114 Asn N . 114 Asn CG . 15725 5 62 3JN_CG . 1 1 117 117 GLU N N 15 . . 1 1 117 117 GLU CG C 13 . 1.39 . . 0.50 . . . 118 Glu N . 118 Glu CG . 15725 5 63 3JN_CG . 1 1 118 118 ILE N N 15 . . 1 1 118 118 ILE CG2 C 13 . 1.89 . . 0.50 . . . 119 Ile N . 119 Ile CG2 . 15725 5 64 3JN_CG . 1 1 118 118 ILE N N 15 . . 1 1 118 118 ILE CG1 C 13 . 0.51 . . 0.50 . . . 119 Ile N . 119 Ile CG1 . 15725 5 65 3JN_CG . 1 1 119 119 VAL N N 15 . . 1 1 119 119 VAL CG1 C 13 . 0.70 . . 0.50 . . . 120 Val N . 120 Val CG1 . 15725 5 66 3JN_CG . 1 1 119 119 VAL N N 15 . . 1 1 119 119 VAL CG2 C 13 . 0.51 . . 0.50 . . . 120 Val N . 120 Val CG2 . 15725 5 67 3JN_CG . 1 1 120 120 GLN N N 15 . . 1 1 120 120 GLN CG C 13 . 1.00 . . 0.50 . . . 121 Gln N . 121 Gln CG . 15725 5 68 3JN_CG . 1 1 123 123 LEU N N 15 . . 1 1 123 123 LEU CG C 13 . 2.30 . . 0.50 . . . 124 Leu N . 124 Leu CG . 15725 5 69 3JN_CG . 1 1 125 125 ILE N N 15 . . 1 1 125 125 ILE CG2 C 13 . 1.83 . . 0.50 . . . 126 Ile N . 126 Ile CG2 . 15725 5 70 3JN_CG . 1 1 125 125 ILE N N 15 . . 1 1 125 125 ILE CG1 C 13 . 0.36 . . 0.50 . . . 126 Ile N . 126 Ile CG1 . 15725 5 71 3JN_CG . 1 1 126 126 ASP N N 15 . . 1 1 126 126 ASP CG C 13 . 2.79 . . 0.50 . . . 127 Asp N . 127 Asp CG . 15725 5 72 3JN_CG . 1 1 130 130 ARG N N 15 . . 1 1 130 130 ARG CG C 13 . 0.29 . . 0.50 . . . 131 Arg N . 131 Arg CG . 15725 5 73 3JN_CG . 1 1 133 133 ARG N N 15 . . 1 1 133 133 ARG CG C 13 . 1.89 . . 0.50 . . . 134 Arg N . 134 Arg CG . 15725 5 74 3JN_CG . 1 1 136 136 ILE N N 15 . . 1 1 136 136 ILE CG2 C 13 . 1.99 . . 0.50 . . . 137 Ile N . 137 Ile CG2 . 15725 5 75 3JN_CG . 1 1 136 136 ILE N N 15 . . 1 1 136 136 ILE CG1 C 13 . 0.67 . . 0.50 . . . 137 Ile N . 137 Ile CG1 . 15725 5 76 3JN_CG . 1 1 137 137 VAL N N 15 . . 1 1 137 137 VAL CG1 C 13 . 1.82 . . 0.50 . . . 138 Val N . 138 Val CG1 . 15725 5 77 3JN_CG . 1 1 139 139 TRP N N 15 . . 1 1 139 139 TRP CG C 13 . 2.30 . . 0.50 . . . 140 Trp N . 140 Trp CG . 15725 5 78 3JN_CG . 1 1 141 141 HIS N N 15 . . 1 1 141 141 HIS CG C 13 . 1.30 . . 0.50 . . . 142 His N . 142 His CG . 15725 5 79 3JN_CG . 1 1 143 143 VAL N N 15 . . 1 1 143 143 VAL CG1 C 13 . 1.16 . . 0.50 . . . 144 Val N . 144 Val CG1 . 15725 5 80 3JN_CG . 1 1 143 143 VAL N N 15 . . 1 1 143 143 VAL CG2 C 13 . 0.68 . . 0.50 . . . 144 Val N . 144 Val CG2 . 15725 5 81 3JN_CG . 1 1 144 144 ARG N N 15 . . 1 1 144 144 ARG CG C 13 . 0.45 . . 0.50 . . . 145 Arg N . 145 Arg CG . 15725 5 82 3JN_CG . 1 1 147 147 ILE N N 15 . . 1 1 147 147 ILE CG2 C 13 . 1.13 . . 0.50 . . . 148 Ile N . 148 Ile CG2 . 15725 5 83 3JN_CG . 1 1 147 147 ILE N N 15 . . 1 1 147 147 ILE CG1 C 13 . 0.65 . . 0.50 . . . 148 Ile N . 148 Ile CG1 . 15725 5 stop_ save_ save_3JCOCG _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCG _Coupling_constant_list.Entry_ID 15725 _Coupling_constant_list.ID 6 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 8 '3D [15N,1H]-TROSY-HNCG' . . . 15725 6 9 '3D [15N,1H]-TROSY-HN(CO)CG' . . . 15725 6 11 '3D HN(CO)CO' . . . 15725 6 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JC_CG . 1 1 1 1 PRO C C 13 . . 1 1 1 1 PRO CG C 13 . 1.17 . . 0.50 . . . 2 Pro C . 2 Pro CG . 15725 6 2 3JC_CG . 1 1 2 2 LYS C C 13 . . 1 1 2 2 LYS CG C 13 . 2.21 . . 0.50 . . . 3 Lys C . 3 Lys CG . 15725 6 3 3JC_CG . 1 1 5 5 ILE C C 13 . . 1 1 5 5 ILE CG1 C 13 . 3.46 . . 0.50 . . . 6 Ile C . 6 Ile CG1 . 15725 6 4 3JC_CG . 1 1 6 6 VAL C C 13 . . 1 1 6 6 VAL CG2 C 13 . 3.52 . . 0.50 . . . 7 Val C . 7 Val CG2 . 15725 6 5 3JC_CG . 1 1 7 7 TYR C C 13 . . 1 1 7 7 TYR CG C 13 . 1.00 . . 0.50 . . . 8 Tyr C . 8 Tyr CG . 15725 6 6 3JC_CG . 1 1 11 11 THR C C 13 . . 1 1 11 11 THR CG2 C 13 . 2.25 . . 0.50 . . . 12 Thr C . 12 Thr CG2 . 15725 6 7 3JC_CG . 1 1 13 13 ASN C C 13 . . 1 1 13 13 ASN CG C 13 . 4.73 . . 0.50 . . . 14 Asn C . 14 Asn CG . 15725 6 8 3JC_CG . 1 1 15 15 GLU C C 13 . . 1 1 15 15 GLU CG C 13 . 1.23 . . 0.50 . . . 16 Glu C . 16 Glu CG . 15725 6 9 3JC_CG . 1 1 16 16 TYR C C 13 . . 1 1 16 16 TYR CG C 13 . 0.90 . . 0.50 . . . 17 Tyr C . 17 Tyr CG . 15725 6 10 3JC_CG . 1 1 19 19 GLU C C 13 . . 1 1 19 19 GLU CG C 13 . 1.91 . . 0.50 . . . 20 Glu C . 20 Glu CG . 15725 6 11 3JC_CG . 1 1 21 21 ILE C C 13 . . 1 1 21 21 ILE CG1 C 13 . 3.57 . . 0.50 . . . 22 Ile C . 22 Ile CG1 . 15725 6 12 3JC_CG . 1 1 23 23 ARG C C 13 . . 1 1 23 23 ARG CG C 13 . 1.26 . . 0.50 . . . 24 Arg C . 24 Arg CG . 15725 6 13 3JC_CG . 1 1 24 24 GLU C C 13 . . 1 1 24 24 GLU CG C 13 . 2.76 . . 0.50 . . . 25 Glu C . 25 Glu CG . 15725 6 14 3JC_CG . 1 1 25 25 LEU C C 13 . . 1 1 25 25 LEU CG C 13 . 3.59 . . 0.50 . . . 26 Leu C . 26 Leu CG . 15725 6 15 3JC_CG . 1 1 27 27 ASP C C 13 . . 1 1 27 27 ASP CG C 13 . 3.90 . . 0.50 . . . 28 Asp C . 28 Asp CG . 15725 6 16 3JC_CG . 1 1 30 30 TYR C C 13 . . 1 1 30 30 TYR CG C 13 . 2.45 . . 0.50 . . . 31 Tyr C . 31 Tyr CG . 15725 6 17 3JC_CG . 1 1 31 31 GLU C C 13 . . 1 1 31 31 GLU CG C 13 . 2.18 . . 0.50 . . . 32 Glu C . 32 Glu CG . 15725 6 18 3JC_CG . 1 1 32 32 VAL C C 13 . . 1 1 32 32 VAL CG1 C 13 . 1.16 . . 0.50 . . . 33 Val C . 33 Val CG1 . 15725 6 19 3JC_CG . 1 1 32 32 VAL C C 13 . . 1 1 32 32 VAL CG2 C 13 . 2.97 . . 0.50 . . . 33 Val C . 33 Val CG2 . 15725 6 20 3JC_CG . 1 1 33 33 ASP C C 13 . . 1 1 33 33 ASP CG C 13 . 0.96 . . 0.50 . . . 34 Asp C . 34 Asp CG . 15725 6 21 3JC_CG . 1 1 35 35 ARG C C 13 . . 1 1 35 35 ARG CG C 13 . 3.50 . . 0.50 . . . 36 Arg C . 36 Arg CG . 15725 6 22 3JC_CG . 1 1 40 40 VAL C C 13 . . 1 1 40 40 VAL CG1 C 13 . 3.43 . . 0.50 . . . 41 Val C . 41 Val CG1 . 15725 6 23 3JC_CG . 1 1 40 40 VAL C C 13 . . 1 1 40 40 VAL CG2 C 13 . 0.89 . . 0.50 . . . 41 Val C . 41 Val CG2 . 15725 6 24 3JC_CG . 1 1 41 41 GLU C C 13 . . 1 1 41 41 GLU CG C 13 . 2.56 . . 0.50 . . . 42 Glu C . 42 Glu CG . 15725 6 25 3JC_CG . 1 1 46 46 PHE C C 13 . . 1 1 46 46 PHE CG C 13 . 4.05 . . 0.50 . . . 47 Phe C . 47 Phe CG . 15725 6 26 3JC_CG . 1 1 47 47 GLU C C 13 . . 1 1 47 47 GLU CG C 13 . 1.41 . . 0.50 . . . 48 Glu C . 48 Glu CG . 15725 6 27 3JC_CG . 1 1 49 49 PHE C C 13 . . 1 1 49 49 PHE CG C 13 . 3.30 . . 0.50 . . . 50 Phe C . 50 Phe CG . 15725 6 28 3JC_CG . 1 1 50 50 ASP C C 13 . . 1 1 50 50 ASP CG C 13 . 4.73 . . 0.50 . . . 51 Asp C . 51 Asp CG . 15725 6 29 3JC_CG . 1 1 52 52 VAL C C 13 . . 1 1 52 52 VAL CG2 C 13 . 3.50 . . 0.50 . . . 53 Val C . 53 Val CG2 . 15725 6 30 3JC_CG . 1 1 53 53 LEU C C 13 . . 1 1 53 53 LEU CG C 13 . 2.12 . . 0.50 . . . 54 Leu C . 54 Leu CG . 15725 6 31 3JC_CG . 1 1 54 54 LEU C C 13 . . 1 1 54 54 LEU CG C 13 . 2.68 . . 0.50 . . . 55 Leu C . 55 Leu CG . 15725 6 32 3JC_CG . 1 1 59 59 TRP C C 13 . . 1 1 59 59 TRP CG C 13 . 1.80 . . 0.50 . . . 60 Trp C . 60 Trp CG . 15725 6 33 3JC_CG . 1 1 62 62 ASP C C 13 . . 1 1 62 62 ASP CG C 13 . 1.75 . . 0.50 . . . 63 Asp C . 63 Asp CG . 15725 6 34 3JC_CG . 1 1 65 65 GLU C C 13 . . 1 1 65 65 GLU CG C 13 . 2.32 . . 0.50 . . . 66 Glu C . 66 Glu CG . 15725 6 35 3JC_CG . 1 1 66 66 LEU C C 13 . . 1 1 66 66 LEU CG C 13 . 3.60 . . 0.50 . . . 67 Leu C . 67 Leu CG . 15725 6 36 3JC_CG . 1 1 68 68 ASP C C 13 . . 1 1 68 68 ASP CG C 13 . 3.75 . . 0.50 . . . 69 Asp C . 69 Asp CG . 15725 6 37 3JC_CG . 1 1 69 69 ASP C C 13 . . 1 1 69 69 ASP CG C 13 . 4.64 . . 0.50 . . . 70 Asp C . 70 Asp CG . 15725 6 38 3JC_CG . 1 1 70 70 PHE C C 13 . . 1 1 70 70 PHE CG C 13 . 0.80 . . 0.50 . . . 71 Phe C . 71 Phe CG . 15725 6 39 3JC_CG . 1 1 72 72 PRO C C 13 . . 1 1 72 72 PRO CG C 13 . 2.12 . . 0.50 . . . 73 Pro C . 73 Pro CG . 15725 6 40 3JC_CG . 1 1 73 73 LEU C C 13 . . 1 1 73 73 LEU CG C 13 . 1.20 . . 0.50 . . . 74 Leu C . 74 Leu CG . 15725 6 41 3JC_CG . 1 1 74 74 PHE C C 13 . . 1 1 74 74 PHE CG C 13 . 0.80 . . 0.50 . . . 75 Phe C . 75 Phe CG . 15725 6 42 3JC_CG . 1 1 75 75 ASP C C 13 . . 1 1 75 75 ASP CG C 13 . 4.08 . . 0.50 . . . 76 Asp C . 76 Asp CG . 15725 6 43 3JC_CG . 1 1 77 77 LEU C C 13 . . 1 1 77 77 LEU CG C 13 . 1.93 . . 0.50 . . . 78 Leu C . 78 Leu CG . 15725 6 44 3JC_CG . 1 1 78 78 GLU C C 13 . . 1 1 78 78 GLU CG C 13 . 2.70 . . 0.50 . . . 79 Glu C . 79 Glu CG . 15725 6 45 3JC_CG . 1 1 79 79 GLU C C 13 . . 1 1 79 79 GLU CG C 13 . 3.20 . . 0.50 . . . 80 Glu C . 80 Glu CG . 15725 6 46 3JC_CG . 1 1 80 80 THR C C 13 . . 1 1 80 80 THR CG2 C 13 . 2.68 . . 0.50 . . . 81 Thr C . 81 Thr CG2 . 15725 6 47 3JC_CG . 1 1 83 83 GLN C C 13 . . 1 1 83 83 GLN CG C 13 . 1.30 . . 0.50 . . . 84 Gln C . 84 Gln CG . 15725 6 48 3JC_CG . 1 1 85 85 ARG C C 13 . . 1 1 85 85 ARG CG C 13 . 1.03 . . 0.50 . . . 86 Arg C . 86 Arg CG . 15725 6 49 3JC_CG . 1 1 86 86 LYS C C 13 . . 1 1 86 86 LYS CG C 13 . 3.88 . . 0.50 . . . 87 Lys C . 87 Lys CG . 15725 6 50 3JC_CG . 1 1 90 90 PHE C C 13 . . 1 1 90 90 PHE CG C 13 . 1.20 . . 0.50 . . . 91 Phe C . 91 Phe CG . 15725 6 51 3JC_CG . 1 1 97 97 TYR C C 13 . . 1 1 97 97 TYR CG C 13 . 2.90 . . 0.50 . . . 98 Tyr C . 98 Tyr CG . 15725 6 52 3JC_CG . 1 1 99 99 TYR C C 13 . . 1 1 99 99 TYR CG C 13 . 2.95 . . 0.50 . . . 100 Tyr C . 100 Tyr CG . 15725 6 53 3JC_CG . 1 1 100 100 PHE C C 13 . . 1 1 100 100 PHE CG C 13 . 1.30 . . 0.50 . . . 101 Phe C . 101 Phe CG . 15725 6 54 3JC_CG . 1 1 104 104 VAL C C 13 . . 1 1 104 104 VAL CG2 C 13 . 3.97 . . 0.50 . . . 105 Val C . 105 Val CG2 . 15725 6 55 3JC_CG . 1 1 107 107 ILE C C 13 . . 1 1 107 107 ILE CG1 C 13 . 3.93 . . 0.50 . . . 108 Ile C . 108 Ile CG1 . 15725 6 56 3JC_CG . 1 1 108 108 GLU C C 13 . . 1 1 108 108 GLU CG C 13 . 3.74 . . 0.50 . . . 109 Glu C . 109 Glu CG . 15725 6 57 3JC_CG . 1 1 109 109 GLU C C 13 . . 1 1 109 109 GLU CG C 13 . 1.22 . . 0.50 . . . 110 Glu C . 110 Glu CG . 15725 6 58 3JC_CG . 1 1 110 110 LYS C C 13 . . 1 1 110 110 LYS CG C 13 . 0.60 . . 0.50 . . . 111 Lys C . 111 Lys CG . 15725 6 59 3JC_CG . 1 1 111 111 LEU C C 13 . . 1 1 111 111 LEU CG C 13 . 3.68 . . 0.50 . . . 112 Leu C . 112 Leu CG . 15725 6 60 3JC_CG . 1 1 112 112 LYS C C 13 . . 1 1 112 112 LYS CG C 13 . 2.63 . . 0.50 . . . 113 Lys C . 113 Lys CG . 15725 6 61 3JC_CG . 1 1 113 113 ASN C C 13 . . 1 1 113 113 ASN CG C 13 . 3.94 . . 0.50 . . . 114 Asn C . 114 Asn CG . 15725 6 62 3JC_CG . 1 1 114 114 LEU C C 13 . . 1 1 114 114 LEU CG C 13 . 2.62 . . 0.50 . . . 115 Leu C . 115 Leu CG . 15725 6 63 3JC_CG . 1 1 118 118 ILE C C 13 . . 1 1 118 118 ILE CG1 C 13 . 3.47 . . 0.50 . . . 119 Ile C . 119 Ile CG1 . 15725 6 64 3JC_CG . 1 1 119 119 VAL C C 13 . . 1 1 119 119 VAL CG1 C 13 . 3.03 . . 0.50 . . . 120 Val C . 120 Val CG1 . 15725 6 65 3JC_CG . 1 1 119 119 VAL C C 13 . . 1 1 119 119 VAL CG2 C 13 . 1.51 . . 0.50 . . . 120 Val C . 120 Val CG2 . 15725 6 66 3JC_CG . 1 1 121 121 ASP C C 13 . . 1 1 121 121 ASP CG C 13 . 3.93 . . 0.50 . . . 122 Asp C . 122 Asp CG . 15725 6 67 3JC_CG . 1 1 124 124 ARG C C 13 . . 1 1 124 124 ARG CG C 13 . 3.73 . . 0.50 . . . 125 Arg C . 125 Arg CG . 15725 6 68 3JC_CG . 1 1 125 125 ILE C C 13 . . 1 1 125 125 ILE CG2 C 13 . 1.82 . . 0.50 . . . 126 Ile C . 126 Ile CG2 . 15725 6 69 3JC_CG . 1 1 125 125 ILE C C 13 . . 1 1 125 125 ILE CG1 C 13 . 3.02 . . 0.50 . . . 126 Ile C . 126 Ile CG1 . 15725 6 70 3JC_CG . 1 1 129 129 PRO C C 13 . . 1 1 129 129 PRO CG C 13 . 2.14 . . 0.50 . . . 130 Pro C . 130 Pro CG . 15725 6 71 3JC_CG . 1 1 130 130 ARG C C 13 . . 1 1 130 130 ARG CG C 13 . 3.52 . . 0.50 . . . 131 Arg C . 131 Arg CG . 15725 6 72 3JC_CG . 1 1 133 133 ARG C C 13 . . 1 1 133 133 ARG CG C 13 . 0.77 . . 0.50 . . . 134 Arg C . 134 Arg CG . 15725 6 73 3JC_CG . 1 1 134 134 ASP C C 13 . . 1 1 134 134 ASP CG C 13 . 4.47 . . 0.50 . . . 135 Asp C . 135 Asp CG . 15725 6 74 3JC_CG . 1 1 135 135 ASP C C 13 . . 1 1 135 135 ASP CG C 13 . 4.12 . . 0.50 . . . 136 Asp C . 136 Asp CG . 15725 6 75 3JC_CG . 1 1 136 136 ILE C C 13 . . 1 1 136 136 ILE CG1 C 13 . 3.35 . . 0.50 . . . 137 Ile C . 137 Ile CG1 . 15725 6 76 3JC_CG . 1 1 137 137 VAL C C 13 . . 1 1 137 137 VAL CG2 C 13 . 3.11 . . 0.50 . . . 138 Val C . 138 Val CG2 . 15725 6 77 3JC_CG . 1 1 139 139 TRP C C 13 . . 1 1 139 139 TRP CG C 13 . 0.80 . . 0.50 . . . 140 Trp C . 140 Trp CG . 15725 6 78 3JC_CG . 1 1 141 141 HIS C C 13 . . 1 1 141 141 HIS CG C 13 . 2.00 . . 0.50 . . . 142 His C . 142 His CG . 15725 6 79 3JC_CG . 1 1 142 142 ASP C C 13 . . 1 1 142 142 ASP CG C 13 . 4.94 . . 0.50 . . . 143 Asp C . 143 Asp CG . 15725 6 80 3JC_CG . 1 1 143 143 VAL C C 13 . . 1 1 143 143 VAL CG1 C 13 . 1.54 . . 0.50 . . . 144 Val C . 144 Val CG1 . 15725 6 81 3JC_CG . 1 1 143 143 VAL C C 13 . . 1 1 143 143 VAL CG2 C 13 . 2.31 . . 0.50 . . . 144 Val C . 144 Val CG2 . 15725 6 82 3JC_CG . 1 1 144 144 ARG C C 13 . . 1 1 144 144 ARG CG C 13 . 2.88 . . 0.50 . . . 145 Arg C . 145 Arg CG . 15725 6 stop_ save_