data_15906 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15906 _Entry.Title ; 1J coupling constants related to the Ca carbons in human Frataxin C-terminal domain (90-210) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-04 _Entry.Accession_date 2008-08-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jurgen Schmidt . M. . 15906 2 Frank Lohr . . . 15906 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 4 15906 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 425 15906 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 2 . . 2009-01-29 2008-08-04 update author 'correction of residue ID's' 15906 1 . . 2008-11-19 2008-08-04 original author 'original release' 15906 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15904 '1J coupling constants related to the Ca carbons in oxidised Flavodxin' 15906 BMRB 15905 '1J coupling constants related to the Ca carbons in Ribonuclease T1' 15906 BMRB 15907 '1J coupling constants related to the Ca carbons in human Ubiquitin' 15906 BMRB 15908 '1J coupling constants related to the Ca carbons in Xylanase' 15906 BMRB 15909 '1J coupling constants related to the Ca carbons in DFPase' 15906 BMRB 4342 '1H, 15N, 13C chemical-shift assignments for Frataxin C-terminal domain (90-210)' 15906 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15906 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18853398 _Citation.Full_citation . _Citation.Title 'Variation in protein C(alpha)-related one-bond J couplings' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Magn. Reson. Chem.' _Citation.Journal_name_full 'Magnetic Resonance in Chemistry' _Citation.Journal_volume 47 _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 16 _Citation.Page_last 30 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jurgen Schmidt . M. . 15906 1 2 Mark Howard . J. . 15906 1 3 Mitcheell Maestre-Martinez . . . 15906 1 4 Carlos Perez . S. . 15906 1 5 Frank Lohr . . . 15906 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'data mining' 15906 1 'one-bond coupling' 15906 1 statistics 15906 1 'torsion angles' 15906 1 stop_ save_ save_Kay_et_al_1990 _Citation.Sf_category citations _Citation.Sf_framecode Kay_et_al_1990 _Citation.Entry_ID 15906 _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 'Three-dimensional triple-resonance NMR spectroscopy of isotopically enriched proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 89 _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 496 _Citation.Page_last 514 _Citation.Year 1990 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Kay . E. . 15906 2 2 M. Ikura . . . 15906 2 3 R. Tschudin . . . 15906 2 4 A. Bax . . . 15906 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACO measurement' 15906 2 stop_ save_ save_Bax_&_Ikura_1991 _Citation.Sf_category citations _Citation.Sf_framecode Bax_&_Ikura_1991 _Citation.Entry_ID 15906 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1668719 _Citation.Full_citation . _Citation.Title 'An efficient 3D NMR technique for correlating the proton and 15N backbone amide resonances with the alpha-carbon of the preceding residue in uniformly 15N/13C enriched proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 1 _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 99 _Citation.Page_last 104 _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.Entry_ID _Citation_author.Citation_ID 1 A. Bax . . . 15906 3 2 M. Ikura . . . 15906 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAHA measurement' 15906 3 stop_ save_ save_Permi_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Permi_et_al_1999 _Citation.Entry_ID 15906 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10527742 _Citation.Full_citation . _Citation.Title 'HN(a/b-COCA-J) experiment for measurement of 1JCOCa couplings from Two-Dimensional [15N,1H] Correlation Spectrum' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 141 _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 44 _Citation.Page_last 51 _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.Entry_ID _Citation_author.Citation_ID 1 P. Permi . . . 15906 4 2 T. Sorsa . . . 15906 4 3 I. Kilpelainen . . . 15906 4 4 A. Annila . . . 15906 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACO measurement' 15906 4 stop_ save_ save_Salzmann_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Salzmann_et_al_1999 _Citation.Entry_ID 15906 _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 'TROSY-type triple-resonance experiments for sequential NMR assignments of large 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 844 _Citation.Page_last 848 _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.Entry_ID _Citation_author.Citation_ID 1 M. Salzmann . . . 15906 5 2 G. Wider . . . 15906 5 3 K. Pervushin . . . 15906 5 4 H. Senn . . . 15906 5 5 K. Wuthrich . . . 15906 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACB measurement' 15906 5 'TROSY method' 15906 5 stop_ save_ save_Yang_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Yang_et_al_1999 _Citation.Entry_ID 15906 _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 '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.Entry_ID _Citation_author.Citation_ID 1 D. Yang . . . 15906 6 2 R. Venters . A. . 15906 6 3 G. Mueller . A. . 15906 6 4 W. Choy . Y. . 15906 6 5 L. Kay . E. . 15906 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACO measurement' 15906 6 stop_ save_ save_Permi_&_Annila_2000 _Citation.Sf_category citations _Citation.Sf_framecode Permi_&_Annila_2000 _Citation.Entry_ID 15906 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10805128 _Citation.Full_citation . _Citation.Title 'Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _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 221 _Citation.Page_last 227 _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.Entry_ID _Citation_author.Citation_ID 1 P. Permi . . . 15906 7 2 A. Annila . . . 15906 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAN measurement' 15906 7 stop_ save_ save_Evenas_et_al_2001 _Citation.Sf_category citations _Citation.Sf_framecode Evenas_et_al_2001 _Citation.Entry_ID 15906 _Citation.ID 8 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11456973 _Citation.Full_citation . _Citation.Title 'Measurement of 13Ca-13Cb dipolar couplings in 15N,13C,2H-labeled proteins: Application to domain orientation in maltose binding protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 123 _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 2858 _Citation.Page_last 2864 _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.Entry_ID _Citation_author.Citation_ID 1 J. Evenas . . . 15906 8 2 A. Mittermaier . . . 15906 8 3 D. Yang . . . 15906 8 4 L. Kay . E. . 15906 8 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACB measurement' 15906 8 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15906 _Assembly.ID 1 _Assembly.Name Frataxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 13492.6 _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 $Frataxin A . yes native no no . . . 15906 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 1DLX . . 'solution NMR' . 'solution-NMR structure of human Frataxin C-terminal domain (91-210)' . 15906 1 yes PDB 1EKG . . X-ray 1.8 'crystal structure of mature human frataxin C-terminal domain (88-210)' . 15906 1 yes PDB 1LY7 . . 'solution NMR' . 'solution-NMR structure of human Frataxin C-terminal domain (90-210)' . 15906 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'mitochondrial protein' 15906 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Frataxin _Entity.Sf_category entity _Entity.Sf_framecode Frataxin _Entity.Entry_ID 15906 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Frataxin _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 ; MDETTYERLAEETLDSLAEF FEDLADKPYTFEDYDVSFGS GVLTVKLGGDLGTYVINKQT PNKQIWLSSPSSGPKRYDWT GKNWVYSHDGVSLHELLAAE LTKALKTKLDLSSLAYSGKD A ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13492.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15233 . hfraG130V . . . . . 100.00 123 99.17 99.17 2.94e-79 . . . . 15906 1 2 no BMRB 15234 . hfraD122Y . . . . . 100.00 123 99.17 99.17 4.70e-79 . . . . 15906 1 3 no BMRB 15235 . hfraW155R . . . . . 100.00 123 99.17 99.17 4.17e-79 . . . . 15906 1 4 no BMRB 15736 . Full-length_Human_frataxin . . . . . 100.00 187 99.17 100.00 9.04e-80 . . . . 15906 1 5 no BMRB 16581 . Frataxin . . . . . 100.00 121 100.00 100.00 1.72e-80 . . . . 15906 1 6 no BMRB 4342 . Frataxin . . . . . 100.00 122 100.00 100.00 2.39e-80 . . . . 15906 1 7 no PDB 1EKG . "Mature Human Frataxin" . . . . . 100.00 127 99.17 100.00 9.43e-80 . . . . 15906 1 8 no PDB 1LY7 . "The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia" . . . . . 99.17 121 100.00 100.00 1.86e-79 . . . . 15906 1 9 no PDB 3S4M . "Crystal Structure Of Wild-Type Human Frataxin" . . . . . 100.00 129 99.17 100.00 1.59e-79 . . . . 15906 1 10 no PDB 3S5D . "Crystal Structure Of Human Frataxin Variant W155a" . . . . . 100.00 129 98.35 99.17 3.81e-78 . . . . 15906 1 11 no PDB 3S5E . "Crystal Structure Of Human Frataxin Variant W155r, One Of The Friedreich's Ataxia Point Mutations" . . . . . 100.00 129 98.35 99.17 4.63e-78 . . . . 15906 1 12 no PDB 3S5F . "Crystal Structure Of Human Frataxin Variant W155f" . . . . . 100.00 129 98.35 100.00 1.49e-78 . . . . 15906 1 13 no PDB 3T3J . "1.70 A Structure Of Friedreich's Ataxia Frataxin Variant N146k" . . . . . 100.00 129 98.35 99.17 1.35e-78 . . . . 15906 1 14 no PDB 3T3K . "1.24 A Structure Of Friedreich's Ataxia Frataxin Variant Q148r" . . . . . 100.00 129 98.35 100.00 7.25e-79 . . . . 15906 1 15 no PDB 3T3L . "1.15 A Structure Of Human Frataxin Variant Q153a" . . . . . 100.00 129 98.35 99.17 1.44e-78 . . . . 15906 1 16 no PDB 3T3T . "1.38 A Structure Of Human Frataxin Variant Q148g" . . . . . 100.00 129 98.35 99.17 2.54e-78 . . . . 15906 1 17 no PDB 3T3X . "1.57 A Structure Of Friedreich's Ataxia Frataxin Variant R165c" . . . . . 100.00 129 98.35 99.17 2.41e-78 . . . . 15906 1 18 no GB AAA98508 . "frataxin [Homo sapiens]" . . . . . 100.00 210 97.52 99.17 8.51e-78 . . . . 15906 1 19 no GB AAA98509 . "frataxin [Homo sapiens]" . . . . . 58.68 171 98.59 100.00 4.09e-41 . . . . 15906 1 20 no GB AAA98510 . "frataxin [Homo sapiens]" . . . . . 100.00 210 97.52 99.17 8.51e-78 . . . . 15906 1 21 no GB AAH23633 . "Frataxin [Homo sapiens]" . . . . . 100.00 210 99.17 100.00 1.06e-79 . . . . 15906 1 22 no GB AAH48097 . "Frataxin [Homo sapiens]" . . . . . 100.00 210 99.17 100.00 1.06e-79 . . . . 15906 1 23 no REF NP_000135 . "frataxin, mitochondrial isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 210 99.17 100.00 1.06e-79 . . . . 15906 1 24 no REF NP_001155178 . "frataxin, mitochondrial isoform 3 preproprotein [Homo sapiens]" . . . . . 58.68 171 98.59 100.00 4.09e-41 . . . . 15906 1 25 no REF NP_001247670 . "frataxin, mitochondrial [Macaca mulatta]" . . . . . 100.00 210 97.52 99.17 8.02e-79 . . . . 15906 1 26 no REF NP_852090 . "frataxin, mitochondrial isoform 2 preproprotein [Homo sapiens]" . . . . . 58.68 196 98.59 100.00 2.32e-41 . . . . 15906 1 27 no REF XP_001137864 . "PREDICTED: frataxin, mitochondrial [Pan troglodytes]" . . . . . 95.87 238 99.14 99.14 5.92e-75 . . . . 15906 1 28 no SP Q16595 . "RecName: Full=Frataxin, mitochondrial; AltName: Full=Friedreich ataxia protein; Short=Fxn; Contains: RecName: Full=Frataxin int" . . . . . 100.00 210 99.17 100.00 1.06e-79 . . . . 15906 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mitochondrial protein' 15906 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 90 MET . 15906 1 2 91 ASP . 15906 1 3 92 GLU . 15906 1 4 93 THR . 15906 1 5 94 THR . 15906 1 6 95 TYR . 15906 1 7 96 GLU . 15906 1 8 97 ARG . 15906 1 9 98 LEU . 15906 1 10 99 ALA . 15906 1 11 100 GLU . 15906 1 12 101 GLU . 15906 1 13 102 THR . 15906 1 14 103 LEU . 15906 1 15 104 ASP . 15906 1 16 105 SER . 15906 1 17 106 LEU . 15906 1 18 107 ALA . 15906 1 19 108 GLU . 15906 1 20 109 PHE . 15906 1 21 110 PHE . 15906 1 22 111 GLU . 15906 1 23 112 ASP . 15906 1 24 113 LEU . 15906 1 25 114 ALA . 15906 1 26 115 ASP . 15906 1 27 116 LYS . 15906 1 28 117 PRO . 15906 1 29 118 TYR . 15906 1 30 119 THR . 15906 1 31 120 PHE . 15906 1 32 121 GLU . 15906 1 33 122 ASP . 15906 1 34 123 TYR . 15906 1 35 124 ASP . 15906 1 36 125 VAL . 15906 1 37 126 SER . 15906 1 38 127 PHE . 15906 1 39 128 GLY . 15906 1 40 129 SER . 15906 1 41 130 GLY . 15906 1 42 131 VAL . 15906 1 43 132 LEU . 15906 1 44 133 THR . 15906 1 45 134 VAL . 15906 1 46 135 LYS . 15906 1 47 136 LEU . 15906 1 48 137 GLY . 15906 1 49 138 GLY . 15906 1 50 139 ASP . 15906 1 51 140 LEU . 15906 1 52 141 GLY . 15906 1 53 142 THR . 15906 1 54 143 TYR . 15906 1 55 144 VAL . 15906 1 56 145 ILE . 15906 1 57 146 ASN . 15906 1 58 147 LYS . 15906 1 59 148 GLN . 15906 1 60 149 THR . 15906 1 61 150 PRO . 15906 1 62 151 ASN . 15906 1 63 152 LYS . 15906 1 64 153 GLN . 15906 1 65 154 ILE . 15906 1 66 155 TRP . 15906 1 67 156 LEU . 15906 1 68 157 SER . 15906 1 69 158 SER . 15906 1 70 159 PRO . 15906 1 71 160 SER . 15906 1 72 161 SER . 15906 1 73 162 GLY . 15906 1 74 163 PRO . 15906 1 75 164 LYS . 15906 1 76 165 ARG . 15906 1 77 166 TYR . 15906 1 78 167 ASP . 15906 1 79 168 TRP . 15906 1 80 169 THR . 15906 1 81 170 GLY . 15906 1 82 171 LYS . 15906 1 83 172 ASN . 15906 1 84 173 TRP . 15906 1 85 174 VAL . 15906 1 86 175 TYR . 15906 1 87 176 SER . 15906 1 88 177 HIS . 15906 1 89 178 ASP . 15906 1 90 179 GLY . 15906 1 91 180 VAL . 15906 1 92 181 SER . 15906 1 93 182 LEU . 15906 1 94 183 HIS . 15906 1 95 184 GLU . 15906 1 96 185 LEU . 15906 1 97 186 LEU . 15906 1 98 187 ALA . 15906 1 99 188 ALA . 15906 1 100 189 GLU . 15906 1 101 190 LEU . 15906 1 102 191 THR . 15906 1 103 192 LYS . 15906 1 104 193 ALA . 15906 1 105 194 LEU . 15906 1 106 195 LYS . 15906 1 107 196 THR . 15906 1 108 197 LYS . 15906 1 109 198 LEU . 15906 1 110 199 ASP . 15906 1 111 200 LEU . 15906 1 112 201 SER . 15906 1 113 202 SER . 15906 1 114 203 LEU . 15906 1 115 204 ALA . 15906 1 116 205 TYR . 15906 1 117 206 SER . 15906 1 118 207 GLY . 15906 1 119 208 LYS . 15906 1 120 209 ASP . 15906 1 121 210 ALA . 15906 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15906 1 . ASP 2 2 15906 1 . GLU 3 3 15906 1 . THR 4 4 15906 1 . THR 5 5 15906 1 . TYR 6 6 15906 1 . GLU 7 7 15906 1 . ARG 8 8 15906 1 . LEU 9 9 15906 1 . ALA 10 10 15906 1 . GLU 11 11 15906 1 . GLU 12 12 15906 1 . THR 13 13 15906 1 . LEU 14 14 15906 1 . ASP 15 15 15906 1 . SER 16 16 15906 1 . LEU 17 17 15906 1 . ALA 18 18 15906 1 . GLU 19 19 15906 1 . PHE 20 20 15906 1 . PHE 21 21 15906 1 . GLU 22 22 15906 1 . ASP 23 23 15906 1 . LEU 24 24 15906 1 . ALA 25 25 15906 1 . ASP 26 26 15906 1 . LYS 27 27 15906 1 . PRO 28 28 15906 1 . TYR 29 29 15906 1 . THR 30 30 15906 1 . PHE 31 31 15906 1 . GLU 32 32 15906 1 . ASP 33 33 15906 1 . TYR 34 34 15906 1 . ASP 35 35 15906 1 . VAL 36 36 15906 1 . SER 37 37 15906 1 . PHE 38 38 15906 1 . GLY 39 39 15906 1 . SER 40 40 15906 1 . GLY 41 41 15906 1 . VAL 42 42 15906 1 . LEU 43 43 15906 1 . THR 44 44 15906 1 . VAL 45 45 15906 1 . LYS 46 46 15906 1 . LEU 47 47 15906 1 . GLY 48 48 15906 1 . GLY 49 49 15906 1 . ASP 50 50 15906 1 . LEU 51 51 15906 1 . GLY 52 52 15906 1 . THR 53 53 15906 1 . TYR 54 54 15906 1 . VAL 55 55 15906 1 . ILE 56 56 15906 1 . ASN 57 57 15906 1 . LYS 58 58 15906 1 . GLN 59 59 15906 1 . THR 60 60 15906 1 . PRO 61 61 15906 1 . ASN 62 62 15906 1 . LYS 63 63 15906 1 . GLN 64 64 15906 1 . ILE 65 65 15906 1 . TRP 66 66 15906 1 . LEU 67 67 15906 1 . SER 68 68 15906 1 . SER 69 69 15906 1 . PRO 70 70 15906 1 . SER 71 71 15906 1 . SER 72 72 15906 1 . GLY 73 73 15906 1 . PRO 74 74 15906 1 . LYS 75 75 15906 1 . ARG 76 76 15906 1 . TYR 77 77 15906 1 . ASP 78 78 15906 1 . TRP 79 79 15906 1 . THR 80 80 15906 1 . GLY 81 81 15906 1 . LYS 82 82 15906 1 . ASN 83 83 15906 1 . TRP 84 84 15906 1 . VAL 85 85 15906 1 . TYR 86 86 15906 1 . SER 87 87 15906 1 . HIS 88 88 15906 1 . ASP 89 89 15906 1 . GLY 90 90 15906 1 . VAL 91 91 15906 1 . SER 92 92 15906 1 . LEU 93 93 15906 1 . HIS 94 94 15906 1 . GLU 95 95 15906 1 . LEU 96 96 15906 1 . LEU 97 97 15906 1 . ALA 98 98 15906 1 . ALA 99 99 15906 1 . GLU 100 100 15906 1 . LEU 101 101 15906 1 . THR 102 102 15906 1 . LYS 103 103 15906 1 . ALA 104 104 15906 1 . LEU 105 105 15906 1 . LYS 106 106 15906 1 . THR 107 107 15906 1 . LYS 108 108 15906 1 . LEU 109 109 15906 1 . ASP 110 110 15906 1 . LEU 111 111 15906 1 . SER 112 112 15906 1 . SER 113 113 15906 1 . LEU 114 114 15906 1 . ALA 115 115 15906 1 . TYR 116 116 15906 1 . SER 117 117 15906 1 . GLY 118 118 15906 1 . LYS 119 119 15906 1 . ASP 120 120 15906 1 . ALA 121 121 15906 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15906 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Frataxin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FRDA . . . . 15906 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 15906 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Frataxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . 'modified pET' . . . . . . 15906 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_doubly_labeled _Sample.Sf_category sample _Sample.Sf_framecode doubly_labeled _Sample.Entry_ID 15906 _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 Frataxin '[U-95% 13C; U-95% 15N]' . . 1 $Frataxin . . 1.7 . . mM . . . . 15906 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15906 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15906 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 15906 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15906 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15906 _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 8.0 . pH 15906 1 pressure 1 . atm 15906 1 temperature 298 . K 15906 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15906 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15906 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15906 1 processing 15906 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 15906 _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 15906 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 15906 2 'data analysis' 15906 2 'multiplet simulation' 15906 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 15906 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15906 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryogenically cooled triple-resonance z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15906 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'room-temperature and cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15906 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'room-temperature and cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 15906 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance z-axis PFG probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15906 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 15906 1 2 spectrometer_2 Bruker Avance . 900 'cryogenically cooled triple-resonance z-gradient probe' . . 15906 1 3 spectrometer_3 Bruker Avance . 600 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 15906 1 4 spectrometer_4 Bruker Avance . 800 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 15906 1 5 spectrometer_5 Varian INOVA . 600 '1H{13C,15N}-triple-resonance z-axis PFG probe' . . 15906 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 15906 _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 Ca-coupled HNCO' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15906 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15906 1 3 '3D Cb-coupled [15N,1H]-TROSY-HN(CO)CA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15906 1 4 '3D Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15906 1 5 '2D HN(COCA-J)' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15906 1 6 '2D Ha-coupled HN(CO)CA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15906 1 stop_ save_ ######################## # Coupling constants # ######################## save_1JCaCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaCO _Coupling_constant_list.Entry_ID 15906 _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 Ca-coupled HNCO' . . . 15906 1 5 '2D HN(COCA-J)' . . . 15906 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 1JCACO . 1 1 1 1 MET CA C 13 . . 1 1 1 1 MET C C 13 . 52.34 . . 0.50 . . . 90 MET CA . 90 MET C . 15906 1 2 1JCACO . 1 1 2 2 ASP CA C 13 . . 1 1 2 2 ASP C C 13 . 53.49 . . 0.50 . . . 91 ASP CA . 91 ASP C . 15906 1 3 1JCACO . 1 1 3 3 GLU CA C 13 . . 1 1 3 3 GLU C C 13 . 53.65 . . 0.50 . . . 92 GLU CA . 92 GLU C . 15906 1 4 1JCACO . 1 1 4 4 THR CA C 13 . . 1 1 4 4 THR C C 13 . 52.38 . . 0.50 . . . 93 THR CA . 93 THR C . 15906 1 5 1JCACO . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR C C 13 . 51.83 . . 0.50 . . . 94 THR CA . 94 THR C . 15906 1 6 1JCACO . 1 1 6 6 TYR CA C 13 . . 1 1 6 6 TYR C C 13 . 54.06 . . 0.50 . . . 95 TYR CA . 95 TYR C . 15906 1 7 1JCACO . 1 1 7 7 GLU CA C 13 . . 1 1 7 7 GLU C C 13 . 53.31 . . 0.50 . . . 96 GLU CA . 96 GLU C . 15906 1 8 1JCACO . 1 1 8 8 ARG CA C 13 . . 1 1 8 8 ARG C C 13 . 52.98 . . 0.50 . . . 97 ARG CA . 97 ARG C . 15906 1 9 1JCACO . 1 1 9 9 LEU CA C 13 . . 1 1 9 9 LEU C C 13 . 52.87 . . 0.50 . . . 98 LEU CA . 98 LEU C . 15906 1 10 1JCACO . 1 1 10 10 ALA CA C 13 . . 1 1 10 10 ALA C C 13 . 53.12 . . 0.50 . . . 99 ALA CA . 99 ALA C . 15906 1 11 1JCACO . 1 1 11 11 GLU CA C 13 . . 1 1 11 11 GLU C C 13 . 53.22 . . 0.50 . . . 100 GLU CA . 100 GLU C . 15906 1 12 1JCACO . 1 1 12 12 GLU CA C 13 . . 1 1 12 12 GLU C C 13 . 52.39 . . 0.50 . . . 101 GLU CA . 101 GLU C . 15906 1 13 1JCACO . 1 1 13 13 THR CA C 13 . . 1 1 13 13 THR C C 13 . 49.91 . . 0.50 . . . 102 THR CA . 102 THR C . 15906 1 14 1JCACO . 1 1 14 14 LEU CA C 13 . . 1 1 14 14 LEU C C 13 . 53.38 . . 0.50 . . . 103 LEU CA . 103 LEU C . 15906 1 15 1JCACO . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP C C 13 . 52.94 . . 0.50 . . . 104 ASP CA . 104 ASP C . 15906 1 16 1JCACO . 1 1 16 16 SER CA C 13 . . 1 1 16 16 SER C C 13 . 53.01 . . 0.50 . . . 105 SER CA . 105 SER C . 15906 1 17 1JCACO . 1 1 17 17 LEU CA C 13 . . 1 1 17 17 LEU C C 13 . 53.16 . . 0.50 . . . 106 LEU CA . 106 LEU C . 15906 1 18 1JCACO . 1 1 18 18 ALA CA C 13 . . 1 1 18 18 ALA C C 13 . 53.49 . . 0.50 . . . 107 ALA CA . 107 ALA C . 15906 1 19 1JCACO . 1 1 19 19 GLU CA C 13 . . 1 1 19 19 GLU C C 13 . 52.45 . . 0.50 . . . 108 GLU CA . 108 GLU C . 15906 1 20 1JCACO . 1 1 20 20 PHE CA C 13 . . 1 1 20 20 PHE C C 13 . 53.39 . . 0.50 . . . 109 PHE CA . 109 PHE C . 15906 1 21 1JCACO . 1 1 21 21 PHE CA C 13 . . 1 1 21 21 PHE C C 13 . 52.74 . . 0.50 . . . 110 PHE CA . 110 PHE C . 15906 1 22 1JCACO . 1 1 22 22 GLU CA C 13 . . 1 1 22 22 GLU C C 13 . 52.66 . . 0.50 . . . 111 GLU CA . 111 GLU C . 15906 1 23 1JCACO . 1 1 23 23 ASP CA C 13 . . 1 1 23 23 ASP C C 13 . 52.93 . . 0.50 . . . 112 ASP CA . 112 ASP C . 15906 1 24 1JCACO . 1 1 24 24 LEU CA C 13 . . 1 1 24 24 LEU C C 13 . 53.03 . . 0.50 . . . 113 LEU CA . 113 LEU C . 15906 1 25 1JCACO . 1 1 25 25 ALA CA C 13 . . 1 1 25 25 ALA C C 13 . 53.37 . . 0.50 . . . 114 ALA CA . 114 ALA C . 15906 1 26 1JCACO . 1 1 26 26 ASP CA C 13 . . 1 1 26 26 ASP C C 13 . 53.24 . . 0.50 . . . 115 ASP CA . 115 ASP C . 15906 1 27 1JCACO . 1 1 28 28 PRO CA C 13 . . 1 1 28 28 PRO C C 13 . 54.01 . . 0.50 . . . 117 PRO CA . 117 PRO C . 15906 1 28 1JCACO . 1 1 29 29 TYR CA C 13 . . 1 1 29 29 TYR C C 13 . 53.18 . . 0.50 . . . 118 TYR CA . 118 TYR C . 15906 1 29 1JCACO . 1 1 30 30 THR CA C 13 . . 1 1 30 30 THR C C 13 . 52.58 . . 0.50 . . . 119 THR CA . 119 THR C . 15906 1 30 1JCACO . 1 1 31 31 PHE CA C 13 . . 1 1 31 31 PHE C C 13 . 51.72 . . 0.50 . . . 120 PHE CA . 120 PHE C . 15906 1 31 1JCACO . 1 1 32 32 GLU CA C 13 . . 1 1 32 32 GLU C C 13 . 53.37 . . 0.50 . . . 121 GLU CA . 121 GLU C . 15906 1 32 1JCACO . 1 1 33 33 ASP CA C 13 . . 1 1 33 33 ASP C C 13 . 52.51 . . 0.50 . . . 122 ASP CA . 122 ASP C . 15906 1 33 1JCACO . 1 1 34 34 TYR CA C 13 . . 1 1 34 34 TYR C C 13 . 52.37 . . 0.50 . . . 123 TYR CA . 123 TYR C . 15906 1 34 1JCACO . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP C C 13 . 53.85 . . 0.50 . . . 124 ASP CA . 124 ASP C . 15906 1 35 1JCACO . 1 1 36 36 VAL CA C 13 . . 1 1 36 36 VAL C C 13 . 53.71 . . 0.50 . . . 125 VAL CA . 125 VAL C . 15906 1 36 1JCACO . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER C C 13 . 52.57 . . 0.50 . . . 126 SER CA . 126 SER C . 15906 1 37 1JCACO . 1 1 38 38 PHE CA C 13 . . 1 1 38 38 PHE C C 13 . 53.98 . . 0.50 . . . 127 PHE CA . 127 PHE C . 15906 1 38 1JCACO . 1 1 39 39 GLY CA C 13 . . 1 1 39 39 GLY C C 13 . 53.26 . . 0.50 . . . 128 GLY CA . 128 GLY C . 15906 1 39 1JCACO . 1 1 40 40 SER CA C 13 . . 1 1 40 40 SER C C 13 . 52.07 . . 0.50 . . . 129 SER CA . 129 SER C . 15906 1 40 1JCACO . 1 1 41 41 GLY CA C 13 . . 1 1 41 41 GLY C C 13 . 53.09 . . 0.50 . . . 130 GLY CA . 130 GLY C . 15906 1 41 1JCACO . 1 1 42 42 VAL CA C 13 . . 1 1 42 42 VAL C C 13 . 53.39 . . 0.50 . . . 131 VAL CA . 131 VAL C . 15906 1 42 1JCACO . 1 1 43 43 LEU CA C 13 . . 1 1 43 43 LEU C C 13 . 51.99 . . 0.50 . . . 132 LEU CA . 132 LEU C . 15906 1 43 1JCACO . 1 1 44 44 THR CA C 13 . . 1 1 44 44 THR C C 13 . 52.01 . . 0.50 . . . 133 THR CA . 133 THR C . 15906 1 44 1JCACO . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL C C 13 . 52.70 . . 0.50 . . . 134 VAL CA . 134 VAL C . 15906 1 45 1JCACO . 1 1 46 46 LYS CA C 13 . . 1 1 46 46 LYS C C 13 . 51.07 . . 0.50 . . . 135 LYS CA . 135 LYS C . 15906 1 46 1JCACO . 1 1 47 47 LEU CA C 13 . . 1 1 47 47 LEU C C 13 . 53.04 . . 0.50 . . . 136 LEU CA . 136 LEU C . 15906 1 47 1JCACO . 1 1 48 48 GLY CA C 13 . . 1 1 48 48 GLY C C 13 . 51.03 . . 0.50 . . . 137 GLY CA . 137 GLY C . 15906 1 48 1JCACO . 1 1 50 50 ASP CA C 13 . . 1 1 50 50 ASP C C 13 . 52.61 . . 0.50 . . . 139 ASP CA . 139 ASP C . 15906 1 49 1JCACO . 1 1 51 51 LEU CA C 13 . . 1 1 51 51 LEU C C 13 . 53.17 . . 0.50 . . . 140 LEU CA . 140 LEU C . 15906 1 50 1JCACO . 1 1 52 52 GLY CA C 13 . . 1 1 52 52 GLY C C 13 . 52.73 . . 0.50 . . . 141 GLY CA . 141 GLY C . 15906 1 51 1JCACO . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR C C 13 . 53.11 . . 0.50 . . . 142 THR CA . 142 THR C . 15906 1 52 1JCACO . 1 1 54 54 TYR CA C 13 . . 1 1 54 54 TYR C C 13 . 51.44 . . 0.50 . . . 143 TYR CA . 143 TYR C . 15906 1 53 1JCACO . 1 1 55 55 VAL CA C 13 . . 1 1 55 55 VAL C C 13 . 52.95 . . 0.50 . . . 144 VAL CA . 144 VAL C . 15906 1 54 1JCACO . 1 1 56 56 ILE CA C 13 . . 1 1 56 56 ILE C C 13 . 54.10 . . 0.50 . . . 145 ILE CA . 145 ILE C . 15906 1 55 1JCACO . 1 1 57 57 ASN CA C 13 . . 1 1 57 57 ASN C C 13 . 53.72 . . 0.50 . . . 146 ASN CA . 146 ASN C . 15906 1 56 1JCACO . 1 1 58 58 LYS CA C 13 . . 1 1 58 58 LYS C C 13 . 52.27 . . 0.50 . . . 147 LYS CA . 147 LYS C . 15906 1 57 1JCACO . 1 1 59 59 GLN CA C 13 . . 1 1 59 59 GLN C C 13 . 52.84 . . 0.50 . . . 148 GLN CA . 148 GLN C . 15906 1 58 1JCACO . 1 1 61 61 PRO CA C 13 . . 1 1 61 61 PRO C C 13 . 55.19 . . 0.50 . . . 150 PRO CA . 150 PRO C . 15906 1 59 1JCACO . 1 1 62 62 ASN CA C 13 . . 1 1 62 62 ASN C C 13 . 53.14 . . 0.50 . . . 151 ASN CA . 151 ASN C . 15906 1 60 1JCACO . 1 1 63 63 LYS CA C 13 . . 1 1 63 63 LYS C C 13 . 53.24 . . 0.50 . . . 152 LYS CA . 152 LYS C . 15906 1 61 1JCACO . 1 1 64 64 GLN CA C 13 . . 1 1 64 64 GLN C C 13 . 51.07 . . 0.50 . . . 153 GLN CA . 153 GLN C . 15906 1 62 1JCACO . 1 1 65 65 ILE CA C 13 . . 1 1 65 65 ILE C C 13 . 52.77 . . 0.50 . . . 154 ILE CA . 154 ILE C . 15906 1 63 1JCACO . 1 1 66 66 TRP CA C 13 . . 1 1 66 66 TRP C C 13 . 53.24 . . 0.50 . . . 155 TRP CA . 155 TRP C . 15906 1 64 1JCACO . 1 1 67 67 LEU CA C 13 . . 1 1 67 67 LEU C C 13 . 52.93 . . 0.50 . . . 156 LEU CA . 156 LEU C . 15906 1 65 1JCACO . 1 1 68 68 SER CA C 13 . . 1 1 68 68 SER C C 13 . 53.09 . . 0.50 . . . 157 SER CA . 157 SER C . 15906 1 66 1JCACO . 1 1 70 70 PRO CA C 13 . . 1 1 70 70 PRO C C 13 . 53.33 . . 0.50 . . . 159 PRO CA . 159 PRO C . 15906 1 67 1JCACO . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER C C 13 . 53.57 . . 0.50 . . . 160 SER CA . 160 SER C . 15906 1 68 1JCACO . 1 1 72 72 SER CA C 13 . . 1 1 72 72 SER C C 13 . 54.00 . . 0.50 . . . 161 SER CA . 161 SER C . 15906 1 69 1JCACO . 1 1 74 74 PRO CA C 13 . . 1 1 74 74 PRO C C 13 . 53.46 . . 0.50 . . . 163 PRO CA . 163 PRO C . 15906 1 70 1JCACO . 1 1 75 75 LYS CA C 13 . . 1 1 75 75 LYS C C 13 . 52.79 . . 0.50 . . . 164 LYS CA . 164 LYS C . 15906 1 71 1JCACO . 1 1 76 76 ARG CA C 13 . . 1 1 76 76 ARG C C 13 . 54.72 . . 0.50 . . . 165 ARG CA . 165 ARG C . 15906 1 72 1JCACO . 1 1 77 77 TYR CA C 13 . . 1 1 77 77 TYR C C 13 . 53.48 . . 0.50 . . . 166 TYR CA . 166 TYR C . 15906 1 73 1JCACO . 1 1 78 78 ASP CA C 13 . . 1 1 78 78 ASP C C 13 . 51.99 . . 0.50 . . . 167 ASP CA . 167 ASP C . 15906 1 74 1JCACO . 1 1 79 79 TRP CA C 13 . . 1 1 79 79 TRP C C 13 . 53.32 . . 0.50 . . . 168 TRP CA . 168 TRP C . 15906 1 75 1JCACO . 1 1 81 81 GLY CA C 13 . . 1 1 81 81 GLY C C 13 . 52.23 . . 0.50 . . . 170 GLY CA . 170 GLY C . 15906 1 76 1JCACO . 1 1 82 82 LYS CA C 13 . . 1 1 82 82 LYS C C 13 . 53.97 . . 0.50 . . . 171 LYS CA . 171 LYS C . 15906 1 77 1JCACO . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN C C 13 . 51.85 . . 0.50 . . . 172 ASN CA . 172 ASN C . 15906 1 78 1JCACO . 1 1 84 84 TRP CA C 13 . . 1 1 84 84 TRP C C 13 . 53.14 . . 0.50 . . . 173 TRP CA . 173 TRP C . 15906 1 79 1JCACO . 1 1 85 85 VAL CA C 13 . . 1 1 85 85 VAL C C 13 . 52.90 . . 0.50 . . . 174 VAL CA . 174 VAL C . 15906 1 80 1JCACO . 1 1 86 86 TYR CA C 13 . . 1 1 86 86 TYR C C 13 . 52.55 . . 0.50 . . . 175 TYR CA . 175 TYR C . 15906 1 81 1JCACO . 1 1 87 87 SER CA C 13 . . 1 1 87 87 SER C C 13 . 51.51 . . 0.50 . . . 176 SER CA . 176 SER C . 15906 1 82 1JCACO . 1 1 88 88 HIS CA C 13 . . 1 1 88 88 HIS C C 13 . 54.36 . . 0.50 . . . 177 HIS CA . 177 HIS C . 15906 1 83 1JCACO . 1 1 89 89 ASP CA C 13 . . 1 1 89 89 ASP C C 13 . 55.27 . . 0.50 . . . 178 ASP CA . 178 ASP C . 15906 1 84 1JCACO . 1 1 90 90 GLY CA C 13 . . 1 1 90 90 GLY C C 13 . 52.07 . . 0.50 . . . 179 GLY CA . 179 GLY C . 15906 1 85 1JCACO . 1 1 91 91 VAL CA C 13 . . 1 1 91 91 VAL C C 13 . 53.17 . . 0.50 . . . 180 VAL CA . 180 VAL C . 15906 1 86 1JCACO . 1 1 92 92 SER CA C 13 . . 1 1 92 92 SER C C 13 . 51.74 . . 0.50 . . . 181 SER CA . 181 SER C . 15906 1 87 1JCACO . 1 1 93 93 LEU CA C 13 . . 1 1 93 93 LEU C C 13 . 53.03 . . 0.50 . . . 182 LEU CA . 182 LEU C . 15906 1 88 1JCACO . 1 1 94 94 HIS CA C 13 . . 1 1 94 94 HIS C C 13 . 53.17 . . 0.50 . . . 183 HIS CA . 183 HIS C . 15906 1 89 1JCACO . 1 1 95 95 GLU CA C 13 . . 1 1 95 95 GLU C C 13 . 52.19 . . 0.50 . . . 184 GLU CA . 184 GLU C . 15906 1 90 1JCACO . 1 1 96 96 LEU CA C 13 . . 1 1 96 96 LEU C C 13 . 52.42 . . 0.50 . . . 185 LEU CA . 185 LEU C . 15906 1 91 1JCACO . 1 1 97 97 LEU CA C 13 . . 1 1 97 97 LEU C C 13 . 53.92 . . 0.50 . . . 186 LEU CA . 186 LEU C . 15906 1 92 1JCACO . 1 1 98 98 ALA CA C 13 . . 1 1 98 98 ALA C C 13 . 53.15 . . 0.50 . . . 187 ALA CA . 187 ALA C . 15906 1 93 1JCACO . 1 1 99 99 ALA CA C 13 . . 1 1 99 99 ALA C C 13 . 52.62 . . 0.50 . . . 188 ALA CA . 188 ALA C . 15906 1 94 1JCACO . 1 1 100 100 GLU CA C 13 . . 1 1 100 100 GLU C C 13 . 52.86 . . 0.50 . . . 189 GLU CA . 189 GLU C . 15906 1 95 1JCACO . 1 1 101 101 LEU CA C 13 . . 1 1 101 101 LEU C C 13 . 52.43 . . 0.50 . . . 190 LEU CA . 190 LEU C . 15906 1 96 1JCACO . 1 1 102 102 THR CA C 13 . . 1 1 102 102 THR C C 13 . 51.16 . . 0.50 . . . 191 THR CA . 191 THR C . 15906 1 97 1JCACO . 1 1 103 103 LYS CA C 13 . . 1 1 103 103 LYS C C 13 . 52.52 . . 0.50 . . . 192 LYS CA . 192 LYS C . 15906 1 98 1JCACO . 1 1 104 104 ALA CA C 13 . . 1 1 104 104 ALA C C 13 . 53.47 . . 0.50 . . . 193 ALA CA . 193 ALA C . 15906 1 99 1JCACO . 1 1 105 105 LEU CA C 13 . . 1 1 105 105 LEU C C 13 . 52.51 . . 0.50 . . . 194 LEU CA . 194 LEU C . 15906 1 100 1JCACO . 1 1 106 106 LYS CA C 13 . . 1 1 106 106 LYS C C 13 . 52.72 . . 0.50 . . . 195 LYS CA . 195 LYS C . 15906 1 101 1JCACO . 1 1 107 107 THR CA C 13 . . 1 1 107 107 THR C C 13 . 51.32 . . 0.50 . . . 196 THR CA . 196 THR C . 15906 1 102 1JCACO . 1 1 108 108 LYS CA C 13 . . 1 1 108 108 LYS C C 13 . 53.32 . . 0.50 . . . 197 LYS CA . 197 LYS C . 15906 1 103 1JCACO . 1 1 109 109 LEU CA C 13 . . 1 1 109 109 LEU C C 13 . 53.36 . . 0.50 . . . 198 LEU CA . 198 LEU C . 15906 1 104 1JCACO . 1 1 110 110 ASP CA C 13 . . 1 1 110 110 ASP C C 13 . 54.55 . . 0.50 . . . 199 ASP CA . 199 ASP C . 15906 1 105 1JCACO . 1 1 111 111 LEU CA C 13 . . 1 1 111 111 LEU C C 13 . 51.79 . . 0.50 . . . 200 LEU CA . 200 LEU C . 15906 1 106 1JCACO . 1 1 113 113 SER CA C 13 . . 1 1 113 113 SER C C 13 . 52.21 . . 0.50 . . . 202 SER CA . 202 SER C . 15906 1 107 1JCACO . 1 1 114 114 LEU CA C 13 . . 1 1 114 114 LEU C C 13 . 51.89 . . 0.50 . . . 203 LEU CA . 203 LEU C . 15906 1 108 1JCACO . 1 1 115 115 ALA CA C 13 . . 1 1 115 115 ALA C C 13 . 52.51 . . 0.50 . . . 204 ALA CA . 204 ALA C . 15906 1 109 1JCACO . 1 1 116 116 TYR CA C 13 . . 1 1 116 116 TYR C C 13 . 53.24 . . 0.50 . . . 205 TYR CA . 205 TYR C . 15906 1 110 1JCACO . 1 1 117 117 SER CA C 13 . . 1 1 117 117 SER C C 13 . 52.59 . . 0.50 . . . 206 SER CA . 206 SER C . 15906 1 111 1JCACO . 1 1 118 118 GLY CA C 13 . . 1 1 118 118 GLY C C 13 . 52.25 . . 0.50 . . . 207 GLY CA . 207 GLY C . 15906 1 112 1JCACO . 1 1 119 119 LYS CA C 13 . . 1 1 119 119 LYS C C 13 . 52.44 . . 0.50 . . . 208 LYS CA . 208 LYS C . 15906 1 113 1JCACO . 1 1 120 120 ASP CA C 13 . . 1 1 120 120 ASP C C 13 . 52.71 . . 0.50 . . . 209 ASP CA . 209 ASP C . 15906 1 stop_ save_ save_1JCaN_ _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaN_ _Coupling_constant_list.Entry_ID 15906 _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 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' . . . 15906 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 1JCAN . 1 1 3 3 GLU CA C 13 . . 1 1 3 3 GLU N N 15 . 9.50 . . 0.50 . . . 92 GLU CA . 92 GLU N . 15906 2 2 1JCAN . 1 1 4 4 THR CA C 13 . . 1 1 4 4 THR N N 15 . 10.11 . . 0.50 . . . 93 THR CA . 93 THR N . 15906 2 3 1JCAN . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR N N 15 . 10.27 . . 0.50 . . . 94 THR CA . 94 THR N . 15906 2 4 1JCAN . 1 1 6 6 TYR CA C 13 . . 1 1 6 6 TYR N N 15 . 9.14 . . 0.50 . . . 95 TYR CA . 95 TYR N . 15906 2 5 1JCAN . 1 1 7 7 GLU CA C 13 . . 1 1 7 7 GLU N N 15 . 9.52 . . 0.50 . . . 96 GLU CA . 96 GLU N . 15906 2 6 1JCAN . 1 1 8 8 ARG CA C 13 . . 1 1 8 8 ARG N N 15 . 9.57 . . 0.50 . . . 97 ARG CA . 97 ARG N . 15906 2 7 1JCAN . 1 1 9 9 LEU CA C 13 . . 1 1 9 9 LEU N N 15 . 9.68 . . 0.50 . . . 98 LEU CA . 98 LEU N . 15906 2 8 1JCAN . 1 1 10 10 ALA CA C 13 . . 1 1 10 10 ALA N N 15 . 9.44 . . 0.50 . . . 99 ALA CA . 99 ALA N . 15906 2 9 1JCAN . 1 1 11 11 GLU CA C 13 . . 1 1 11 11 GLU N N 15 . 9.19 . . 0.50 . . . 100 GLU CA . 100 GLU N . 15906 2 10 1JCAN . 1 1 12 12 GLU CA C 13 . . 1 1 12 12 GLU N N 15 . 9.58 . . 0.50 . . . 101 GLU CA . 101 GLU N . 15906 2 11 1JCAN . 1 1 13 13 THR CA C 13 . . 1 1 13 13 THR N N 15 . 9.32 . . 0.50 . . . 102 THR CA . 102 THR N . 15906 2 12 1JCAN . 1 1 14 14 LEU CA C 13 . . 1 1 14 14 LEU N N 15 . 9.00 . . 0.50 . . . 103 LEU CA . 103 LEU N . 15906 2 13 1JCAN . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP N N 15 . 9.55 . . 0.50 . . . 104 ASP CA . 104 ASP N . 15906 2 14 1JCAN . 1 1 16 16 SER CA C 13 . . 1 1 16 16 SER N N 15 . 9.72 . . 0.50 . . . 105 SER CA . 105 SER N . 15906 2 15 1JCAN . 1 1 17 17 LEU CA C 13 . . 1 1 17 17 LEU N N 15 . 9.32 . . 0.50 . . . 106 LEU CA . 106 LEU N . 15906 2 16 1JCAN . 1 1 18 18 ALA CA C 13 . . 1 1 18 18 ALA N N 15 . 9.47 . . 0.50 . . . 107 ALA CA . 107 ALA N . 15906 2 17 1JCAN . 1 1 19 19 GLU CA C 13 . . 1 1 19 19 GLU N N 15 . 9.55 . . 0.50 . . . 108 GLU CA . 108 GLU N . 15906 2 18 1JCAN . 1 1 20 20 PHE CA C 13 . . 1 1 20 20 PHE N N 15 . 9.35 . . 0.50 . . . 109 PHE CA . 109 PHE N . 15906 2 19 1JCAN . 1 1 21 21 PHE CA C 13 . . 1 1 21 21 PHE N N 15 . 10.35 . . 0.50 . . . 110 PHE CA . 110 PHE N . 15906 2 20 1JCAN . 1 1 22 22 GLU CA C 13 . . 1 1 22 22 GLU N N 15 . 10.65 . . 0.50 . . . 111 GLU CA . 111 GLU N . 15906 2 21 1JCAN . 1 1 23 23 ASP CA C 13 . . 1 1 23 23 ASP N N 15 . 9.87 . . 0.50 . . . 112 ASP CA . 112 ASP N . 15906 2 22 1JCAN . 1 1 24 24 LEU CA C 13 . . 1 1 24 24 LEU N N 15 . 9.31 . . 0.50 . . . 113 LEU CA . 113 LEU N . 15906 2 23 1JCAN . 1 1 25 25 ALA CA C 13 . . 1 1 25 25 ALA N N 15 . 9.66 . . 0.50 . . . 114 ALA CA . 114 ALA N . 15906 2 24 1JCAN . 1 1 26 26 ASP CA C 13 . . 1 1 26 26 ASP N N 15 . 10.20 . . 0.50 . . . 115 ASP CA . 115 ASP N . 15906 2 25 1JCAN . 1 1 27 27 LYS CA C 13 . . 1 1 27 27 LYS N N 15 . 12.09 . . 0.50 . . . 116 LYS CA . 116 LYS N . 15906 2 26 1JCAN . 1 1 29 29 TYR CA C 13 . . 1 1 29 29 TYR N N 15 . 10.82 . . 0.50 . . . 118 TYR CA . 118 TYR N . 15906 2 27 1JCAN . 1 1 30 30 THR CA C 13 . . 1 1 30 30 THR N N 15 . 11.69 . . 0.50 . . . 119 THR CA . 119 THR N . 15906 2 28 1JCAN . 1 1 31 31 PHE CA C 13 . . 1 1 31 31 PHE N N 15 . 12.03 . . 0.50 . . . 120 PHE CA . 120 PHE N . 15906 2 29 1JCAN . 1 1 32 32 GLU CA C 13 . . 1 1 32 32 GLU N N 15 . 8.98 . . 0.50 . . . 121 GLU CA . 121 GLU N . 15906 2 30 1JCAN . 1 1 33 33 ASP CA C 13 . . 1 1 33 33 ASP N N 15 . 10.10 . . 0.50 . . . 122 ASP CA . 122 ASP N . 15906 2 31 1JCAN . 1 1 34 34 TYR CA C 13 . . 1 1 34 34 TYR N N 15 . 10.68 . . 0.50 . . . 123 TYR CA . 123 TYR N . 15906 2 32 1JCAN . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP N N 15 . 11.75 . . 0.50 . . . 124 ASP CA . 124 ASP N . 15906 2 33 1JCAN . 1 1 36 36 VAL CA C 13 . . 1 1 36 36 VAL N N 15 . 10.94 . . 0.50 . . . 125 VAL CA . 125 VAL N . 15906 2 34 1JCAN . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER N N 15 . 11.47 . . 0.50 . . . 126 SER CA . 126 SER N . 15906 2 35 1JCAN . 1 1 38 38 PHE CA C 13 . . 1 1 38 38 PHE N N 15 . 10.78 . . 0.50 . . . 127 PHE CA . 127 PHE N . 15906 2 36 1JCAN . 1 1 39 39 GLY CA C 13 . . 1 1 39 39 GLY N N 15 . 12.49 . . 0.50 . . . 128 GLY CA . 128 GLY N . 15906 2 37 1JCAN . 1 1 40 40 SER CA C 13 . . 1 1 40 40 SER N N 15 . 9.44 . . 0.50 . . . 129 SER CA . 129 SER N . 15906 2 38 1JCAN . 1 1 41 41 GLY CA C 13 . . 1 1 41 41 GLY N N 15 . 10.60 . . 0.50 . . . 130 GLY CA . 130 GLY N . 15906 2 39 1JCAN . 1 1 42 42 VAL CA C 13 . . 1 1 42 42 VAL N N 15 . 10.61 . . 0.50 . . . 131 VAL CA . 131 VAL N . 15906 2 40 1JCAN . 1 1 43 43 LEU CA C 13 . . 1 1 43 43 LEU N N 15 . 9.53 . . 0.50 . . . 132 LEU CA . 132 LEU N . 15906 2 41 1JCAN . 1 1 44 44 THR CA C 13 . . 1 1 44 44 THR N N 15 . 9.11 . . 0.50 . . . 133 THR CA . 133 THR N . 15906 2 42 1JCAN . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL N N 15 . 9.45 . . 0.50 . . . 134 VAL CA . 134 VAL N . 15906 2 43 1JCAN . 1 1 46 46 LYS CA C 13 . . 1 1 46 46 LYS N N 15 . 9.05 . . 0.50 . . . 135 LYS CA . 135 LYS N . 15906 2 44 1JCAN . 1 1 47 47 LEU CA C 13 . . 1 1 47 47 LEU N N 15 . 9.05 . . 0.50 . . . 136 LEU CA . 136 LEU N . 15906 2 45 1JCAN . 1 1 48 48 GLY CA C 13 . . 1 1 48 48 GLY N N 15 . 13.08 . . 0.50 . . . 137 GLY CA . 137 GLY N . 15906 2 46 1JCAN . 1 1 49 49 GLY CA C 13 . . 1 1 49 49 GLY N N 15 . 11.45 . . 0.50 . . . 138 GLY CA . 138 GLY N . 15906 2 47 1JCAN . 1 1 51 51 LEU CA C 13 . . 1 1 51 51 LEU N N 15 . 9.51 . . 0.50 . . . 140 LEU CA . 140 LEU N . 15906 2 48 1JCAN . 1 1 52 52 GLY CA C 13 . . 1 1 52 52 GLY N N 15 . 13.31 . . 0.50 . . . 141 GLY CA . 141 GLY N . 15906 2 49 1JCAN . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR N N 15 . 11.24 . . 0.50 . . . 142 THR CA . 142 THR N . 15906 2 50 1JCAN . 1 1 54 54 TYR CA C 13 . . 1 1 54 54 TYR N N 15 . 10.72 . . 0.50 . . . 143 TYR CA . 143 TYR N . 15906 2 51 1JCAN . 1 1 55 55 VAL CA C 13 . . 1 1 55 55 VAL N N 15 . 10.40 . . 0.50 . . . 144 VAL CA . 144 VAL N . 15906 2 52 1JCAN . 1 1 56 56 ILE CA C 13 . . 1 1 56 56 ILE N N 15 . 9.94 . . 0.50 . . . 145 ILE CA . 145 ILE N . 15906 2 53 1JCAN . 1 1 57 57 ASN CA C 13 . . 1 1 57 57 ASN N N 15 . 11.14 . . 0.50 . . . 146 ASN CA . 146 ASN N . 15906 2 54 1JCAN . 1 1 58 58 LYS CA C 13 . . 1 1 58 58 LYS N N 15 . 10.64 . . 0.50 . . . 147 LYS CA . 147 LYS N . 15906 2 55 1JCAN . 1 1 59 59 GLN CA C 13 . . 1 1 59 59 GLN N N 15 . 8.98 . . 0.50 . . . 148 GLN CA . 148 GLN N . 15906 2 56 1JCAN . 1 1 62 62 ASN CA C 13 . . 1 1 62 62 ASN N N 15 . 9.99 . . 0.50 . . . 151 ASN CA . 151 ASN N . 15906 2 57 1JCAN . 1 1 63 63 LYS CA C 13 . . 1 1 63 63 LYS N N 15 . 9.56 . . 0.50 . . . 152 LYS CA . 152 LYS N . 15906 2 58 1JCAN . 1 1 64 64 GLN CA C 13 . . 1 1 64 64 GLN N N 15 . 12.61 . . 0.50 . . . 153 GLN CA . 153 GLN N . 15906 2 59 1JCAN . 1 1 65 65 ILE CA C 13 . . 1 1 65 65 ILE N N 15 . 9.94 . . 0.50 . . . 154 ILE CA . 154 ILE N . 15906 2 60 1JCAN . 1 1 66 66 TRP CA C 13 . . 1 1 66 66 TRP N N 15 . 10.78 . . 0.50 . . . 155 TRP CA . 155 TRP N . 15906 2 61 1JCAN . 1 1 67 67 LEU CA C 13 . . 1 1 67 67 LEU N N 15 . 11.11 . . 0.50 . . . 156 LEU CA . 156 LEU N . 15906 2 62 1JCAN . 1 1 68 68 SER CA C 13 . . 1 1 68 68 SER N N 15 . 10.27 . . 0.50 . . . 157 SER CA . 157 SER N . 15906 2 63 1JCAN . 1 1 69 69 SER CA C 13 . . 1 1 69 69 SER N N 15 . 11.22 . . 0.50 . . . 158 SER CA . 158 SER N . 15906 2 64 1JCAN . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER N N 15 . 10.13 . . 0.50 . . . 160 SER CA . 160 SER N . 15906 2 65 1JCAN . 1 1 72 72 SER CA C 13 . . 1 1 72 72 SER N N 15 . 10.23 . . 0.50 . . . 161 SER CA . 161 SER N . 15906 2 66 1JCAN . 1 1 73 73 GLY CA C 13 . . 1 1 73 73 GLY N N 15 . 12.93 . . 0.50 . . . 162 GLY CA . 162 GLY N . 15906 2 67 1JCAN . 1 1 75 75 LYS CA C 13 . . 1 1 75 75 LYS N N 15 . 11.55 . . 0.50 . . . 164 LYS CA . 164 LYS N . 15906 2 68 1JCAN . 1 1 76 76 ARG CA C 13 . . 1 1 76 76 ARG N N 15 . 10.47 . . 0.50 . . . 165 ARG CA . 165 ARG N . 15906 2 69 1JCAN . 1 1 77 77 TYR CA C 13 . . 1 1 77 77 TYR N N 15 . 11.05 . . 0.50 . . . 166 TYR CA . 166 TYR N . 15906 2 70 1JCAN . 1 1 78 78 ASP CA C 13 . . 1 1 78 78 ASP N N 15 . 11.19 . . 0.50 . . . 167 ASP CA . 167 ASP N . 15906 2 71 1JCAN . 1 1 79 79 TRP CA C 13 . . 1 1 79 79 TRP N N 15 . 10.59 . . 0.50 . . . 168 TRP CA . 168 TRP N . 15906 2 72 1JCAN . 1 1 80 80 THR CA C 13 . . 1 1 80 80 THR N N 15 . 10.10 . . 0.50 . . . 169 THR CA . 169 THR N . 15906 2 73 1JCAN . 1 1 81 81 GLY CA C 13 . . 1 1 81 81 GLY N N 15 . 10.29 . . 0.50 . . . 170 GLY CA . 170 GLY N . 15906 2 74 1JCAN . 1 1 82 82 LYS CA C 13 . . 1 1 82 82 LYS N N 15 . 12.91 . . 0.50 . . . 171 LYS CA . 171 LYS N . 15906 2 75 1JCAN . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN N N 15 . 12.90 . . 0.50 . . . 172 ASN CA . 172 ASN N . 15906 2 76 1JCAN . 1 1 84 84 TRP CA C 13 . . 1 1 84 84 TRP N N 15 . 10.92 . . 0.50 . . . 173 TRP CA . 173 TRP N . 15906 2 77 1JCAN . 1 1 85 85 VAL CA C 13 . . 1 1 85 85 VAL N N 15 . 11.33 . . 0.50 . . . 174 VAL CA . 174 VAL N . 15906 2 78 1JCAN . 1 1 86 86 TYR CA C 13 . . 1 1 86 86 TYR N N 15 . 9.86 . . 0.50 . . . 175 TYR CA . 175 TYR N . 15906 2 79 1JCAN . 1 1 87 87 SER CA C 13 . . 1 1 87 87 SER N N 15 . 9.13 . . 0.50 . . . 176 SER CA . 176 SER N . 15906 2 80 1JCAN . 1 1 88 88 HIS CA C 13 . . 1 1 88 88 HIS N N 15 . 9.95 . . 0.50 . . . 177 HIS CA . 177 HIS N . 15906 2 81 1JCAN . 1 1 89 89 ASP CA C 13 . . 1 1 89 89 ASP N N 15 . 10.33 . . 0.50 . . . 178 ASP CA . 178 ASP N . 15906 2 82 1JCAN . 1 1 90 90 GLY CA C 13 . . 1 1 90 90 GLY N N 15 . 10.44 . . 0.50 . . . 179 GLY CA . 179 GLY N . 15906 2 83 1JCAN . 1 1 91 91 VAL CA C 13 . . 1 1 91 91 VAL N N 15 . 10.93 . . 0.50 . . . 180 VAL CA . 180 VAL N . 15906 2 84 1JCAN . 1 1 92 92 SER CA C 13 . . 1 1 92 92 SER N N 15 . 12.14 . . 0.50 . . . 181 SER CA . 181 SER N . 15906 2 85 1JCAN . 1 1 93 93 LEU CA C 13 . . 1 1 93 93 LEU N N 15 . 9.38 . . 0.50 . . . 182 LEU CA . 182 LEU N . 15906 2 86 1JCAN . 1 1 94 94 HIS CA C 13 . . 1 1 94 94 HIS N N 15 . 10.06 . . 0.50 . . . 183 HIS CA . 183 HIS N . 15906 2 87 1JCAN . 1 1 95 95 GLU CA C 13 . . 1 1 95 95 GLU N N 15 . 9.20 . . 0.50 . . . 184 GLU CA . 184 GLU N . 15906 2 88 1JCAN . 1 1 96 96 LEU CA C 13 . . 1 1 96 96 LEU N N 15 . 9.01 . . 0.50 . . . 185 LEU CA . 185 LEU N . 15906 2 89 1JCAN . 1 1 97 97 LEU CA C 13 . . 1 1 97 97 LEU N N 15 . 9.56 . . 0.50 . . . 186 LEU CA . 186 LEU N . 15906 2 90 1JCAN . 1 1 98 98 ALA CA C 13 . . 1 1 98 98 ALA N N 15 . 9.69 . . 0.50 . . . 187 ALA CA . 187 ALA N . 15906 2 91 1JCAN . 1 1 99 99 ALA CA C 13 . . 1 1 99 99 ALA N N 15 . 9.53 . . 0.50 . . . 188 ALA CA . 188 ALA N . 15906 2 92 1JCAN . 1 1 100 100 GLU CA C 13 . . 1 1 100 100 GLU N N 15 . 9.69 . . 0.50 . . . 189 GLU CA . 189 GLU N . 15906 2 93 1JCAN . 1 1 101 101 LEU CA C 13 . . 1 1 101 101 LEU N N 15 . 9.03 . . 0.50 . . . 190 LEU CA . 190 LEU N . 15906 2 94 1JCAN . 1 1 102 102 THR CA C 13 . . 1 1 102 102 THR N N 15 . 9.30 . . 0.50 . . . 191 THR CA . 191 THR N . 15906 2 95 1JCAN . 1 1 103 103 LYS CA C 13 . . 1 1 103 103 LYS N N 15 . 9.57 . . 0.50 . . . 192 LYS CA . 192 LYS N . 15906 2 96 1JCAN . 1 1 104 104 ALA CA C 13 . . 1 1 104 104 ALA N N 15 . 9.63 . . 0.50 . . . 193 ALA CA . 193 ALA N . 15906 2 97 1JCAN . 1 1 105 105 LEU CA C 13 . . 1 1 105 105 LEU N N 15 . 9.34 . . 0.50 . . . 194 LEU CA . 194 LEU N . 15906 2 98 1JCAN . 1 1 106 106 LYS CA C 13 . . 1 1 106 106 LYS N N 15 . 9.44 . . 0.50 . . . 195 LYS CA . 195 LYS N . 15906 2 99 1JCAN . 1 1 107 107 THR CA C 13 . . 1 1 107 107 THR N N 15 . 12.21 . . 0.50 . . . 196 THR CA . 196 THR N . 15906 2 100 1JCAN . 1 1 108 108 LYS CA C 13 . . 1 1 108 108 LYS N N 15 . 10.47 . . 0.50 . . . 197 LYS CA . 197 LYS N . 15906 2 101 1JCAN . 1 1 109 109 LEU CA C 13 . . 1 1 109 109 LEU N N 15 . 10.73 . . 0.50 . . . 198 LEU CA . 198 LEU N . 15906 2 102 1JCAN . 1 1 110 110 ASP CA C 13 . . 1 1 110 110 ASP N N 15 . 10.17 . . 0.50 . . . 199 ASP CA . 199 ASP N . 15906 2 103 1JCAN . 1 1 111 111 LEU CA C 13 . . 1 1 111 111 LEU N N 15 . 8.05 . . 0.50 . . . 200 LEU CA . 200 LEU N . 15906 2 104 1JCAN . 1 1 112 112 SER CA C 13 . . 1 1 112 112 SER N N 15 . 9.96 . . 0.50 . . . 201 SER CA . 201 SER N . 15906 2 105 1JCAN . 1 1 114 114 LEU CA C 13 . . 1 1 114 114 LEU N N 15 . 11.35 . . 0.50 . . . 203 LEU CA . 203 LEU N . 15906 2 106 1JCAN . 1 1 115 115 ALA CA C 13 . . 1 1 115 115 ALA N N 15 . 11.22 . . 0.50 . . . 204 ALA CA . 204 ALA N . 15906 2 107 1JCAN . 1 1 116 116 TYR CA C 13 . . 1 1 116 116 TYR N N 15 . 10.14 . . 0.50 . . . 205 TYR CA . 205 TYR N . 15906 2 108 1JCAN . 1 1 117 117 SER CA C 13 . . 1 1 117 117 SER N N 15 . 10.68 . . 0.50 . . . 206 SER CA . 206 SER N . 15906 2 109 1JCAN . 1 1 118 118 GLY CA C 13 . . 1 1 118 118 GLY N N 15 . 10.30 . . 0.50 . . . 207 GLY CA . 207 GLY N . 15906 2 110 1JCAN . 1 1 119 119 LYS CA C 13 . . 1 1 119 119 LYS N N 15 . 10.62 . . 0.50 . . . 208 LYS CA . 208 LYS N . 15906 2 111 1JCAN . 1 1 120 120 ASP CA C 13 . . 1 1 120 120 ASP N N 15 . 10.28 . . 0.50 . . . 209 ASP CA . 209 ASP N . 15906 2 112 1JCAN . 1 1 121 121 ALA CA C 13 . . 1 1 121 121 ALA N N 15 . 10.26 . . 0.50 . . . 210 ALA CA . 210 ALA N . 15906 2 stop_ save_ save_1JCaHa _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaHa _Coupling_constant_list.Entry_ID 15906 _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 '28-ms constant-time Ca evolution in 3D TROSY experiment' _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 Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CA' . . . 15906 3 6 '2D Ha-coupled HN(CO)CA' . . . 15906 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 1JCAHA . 1 1 1 1 MET CA C 13 . . 1 1 1 1 MET HA H 1 . 145.57 . . 0.50 . . . 90 MET CA . 90 MET HA . 15906 3 2 1JCAHA . 1 1 3 3 GLU CA C 13 . . 1 1 3 3 GLU HA H 1 . 143.63 . . 0.50 . . . 92 GLU CA . 92 GLU HA . 15906 3 3 1JCAHA . 1 1 4 4 THR CA C 13 . . 1 1 4 4 THR HA H 1 . 147.93 . . 0.50 . . . 93 THR CA . 93 THR HA . 15906 3 4 1JCAHA . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR HA H 1 . 149.38 . . 0.50 . . . 94 THR CA . 94 THR HA . 15906 3 5 1JCAHA . 1 1 6 6 TYR CA C 13 . . 1 1 6 6 TYR HA H 1 . 150.30 . . 0.50 . . . 95 TYR CA . 95 TYR HA . 15906 3 6 1JCAHA . 1 1 7 7 GLU CA C 13 . . 1 1 7 7 GLU HA H 1 . 148.83 . . 0.50 . . . 96 GLU CA . 96 GLU HA . 15906 3 7 1JCAHA . 1 1 8 8 ARG CA C 13 . . 1 1 8 8 ARG HA H 1 . 150.56 . . 0.50 . . . 97 ARG CA . 97 ARG HA . 15906 3 8 1JCAHA . 1 1 9 9 LEU CA C 13 . . 1 1 9 9 LEU HA H 1 . 148.72 . . 0.50 . . . 98 LEU CA . 98 LEU HA . 15906 3 9 1JCAHA . 1 1 10 10 ALA CA C 13 . . 1 1 10 10 ALA HA H 1 . 145.09 . . 0.50 . . . 99 ALA CA . 99 ALA HA . 15906 3 10 1JCAHA . 1 1 11 11 GLU CA C 13 . . 1 1 11 11 GLU HA H 1 . 148.24 . . 0.50 . . . 100 GLU CA . 100 GLU HA . 15906 3 11 1JCAHA . 1 1 12 12 GLU CA C 13 . . 1 1 12 12 GLU HA H 1 . 149.15 . . 0.50 . . . 101 GLU CA . 101 GLU HA . 15906 3 12 1JCAHA . 1 1 13 13 THR CA C 13 . . 1 1 13 13 THR HA H 1 . 150.25 . . 0.50 . . . 102 THR CA . 102 THR HA . 15906 3 13 1JCAHA . 1 1 14 14 LEU CA C 13 . . 1 1 14 14 LEU HA H 1 . 143.16 . . 0.50 . . . 103 LEU CA . 103 LEU HA . 15906 3 14 1JCAHA . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP HA H 1 . 152.30 . . 0.50 . . . 104 ASP CA . 104 ASP HA . 15906 3 15 1JCAHA . 1 1 16 16 SER CA C 13 . . 1 1 16 16 SER HA H 1 . 149.10 . . 0.50 . . . 105 SER CA . 105 SER HA . 15906 3 16 1JCAHA . 1 1 17 17 LEU CA C 13 . . 1 1 17 17 LEU HA H 1 . 146.24 . . 0.50 . . . 106 LEU CA . 106 LEU HA . 15906 3 17 1JCAHA . 1 1 18 18 ALA CA C 13 . . 1 1 18 18 ALA HA H 1 . 146.04 . . 0.50 . . . 107 ALA CA . 107 ALA HA . 15906 3 18 1JCAHA . 1 1 19 19 GLU CA C 13 . . 1 1 19 19 GLU HA H 1 . 149.12 . . 0.50 . . . 108 GLU CA . 108 GLU HA . 15906 3 19 1JCAHA . 1 1 20 20 PHE CA C 13 . . 1 1 20 20 PHE HA H 1 . 152.48 . . 0.50 . . . 109 PHE CA . 109 PHE HA . 15906 3 20 1JCAHA . 1 1 21 21 PHE CA C 13 . . 1 1 21 21 PHE HA H 1 . 147.01 . . 0.50 . . . 110 PHE CA . 110 PHE HA . 15906 3 21 1JCAHA . 1 1 22 22 GLU CA C 13 . . 1 1 22 22 GLU HA H 1 . 149.60 . . 0.50 . . . 111 GLU CA . 111 GLU HA . 15906 3 22 1JCAHA . 1 1 23 23 ASP CA C 13 . . 1 1 23 23 ASP HA H 1 . 147.71 . . 0.50 . . . 112 ASP CA . 112 ASP HA . 15906 3 23 1JCAHA . 1 1 24 24 LEU CA C 13 . . 1 1 24 24 LEU HA H 1 . 145.32 . . 0.50 . . . 113 LEU CA . 113 LEU HA . 15906 3 24 1JCAHA . 1 1 25 25 ALA CA C 13 . . 1 1 25 25 ALA HA H 1 . 148.09 . . 0.50 . . . 114 ALA CA . 114 ALA HA . 15906 3 25 1JCAHA . 1 1 26 26 ASP CA C 13 . . 1 1 26 26 ASP HA H 1 . 140.91 . . 0.50 . . . 115 ASP CA . 115 ASP HA . 15906 3 26 1JCAHA . 1 1 28 28 PRO CA C 13 . . 1 1 28 28 PRO HA H 1 . 151.99 . . 0.50 . . . 117 PRO CA . 117 PRO HA . 15906 3 27 1JCAHA . 1 1 29 29 TYR CA C 13 . . 1 1 29 29 TYR HA H 1 . 141.43 . . 0.50 . . . 118 TYR CA . 118 TYR HA . 15906 3 28 1JCAHA . 1 1 30 30 THR CA C 13 . . 1 1 30 30 THR HA H 1 . 141.19 . . 0.50 . . . 119 THR CA . 119 THR HA . 15906 3 29 1JCAHA . 1 1 31 31 PHE CA C 13 . . 1 1 31 31 PHE HA H 1 . 140.74 . . 0.50 . . . 120 PHE CA . 120 PHE HA . 15906 3 30 1JCAHA . 1 1 32 32 GLU CA C 13 . . 1 1 32 32 GLU HA H 1 . 147.57 . . 0.50 . . . 121 GLU CA . 121 GLU HA . 15906 3 31 1JCAHA . 1 1 33 33 ASP CA C 13 . . 1 1 33 33 ASP HA H 1 . 136.52 . . 0.50 . . . 122 ASP CA . 122 ASP HA . 15906 3 32 1JCAHA . 1 1 34 34 TYR CA C 13 . . 1 1 34 34 TYR HA H 1 . 151.40 . . 0.50 . . . 123 TYR CA . 123 TYR HA . 15906 3 33 1JCAHA . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP HA H 1 . 143.99 . . 0.50 . . . 124 ASP CA . 124 ASP HA . 15906 3 34 1JCAHA . 1 1 36 36 VAL CA C 13 . . 1 1 36 36 VAL HA H 1 . 134.73 . . 0.50 . . . 125 VAL CA . 125 VAL HA . 15906 3 35 1JCAHA . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER HA H 1 . 143.89 . . 0.50 . . . 126 SER CA . 126 SER HA . 15906 3 36 1JCAHA . 1 1 38 38 PHE CA C 13 . . 1 1 38 38 PHE HA H 1 . 143.35 . . 0.50 . . . 127 PHE CA . 127 PHE HA . 15906 3 37 1JCAHA . 1 1 40 40 SER CA C 13 . . 1 1 40 40 SER HA H 1 . 136.75 . . 0.50 . . . 129 SER CA . 129 SER HA . 15906 3 38 1JCAHA . 1 1 42 42 VAL CA C 13 . . 1 1 42 42 VAL HA H 1 . 139.91 . . 0.50 . . . 131 VAL CA . 131 VAL HA . 15906 3 39 1JCAHA . 1 1 43 43 LEU CA C 13 . . 1 1 43 43 LEU HA H 1 . 141.60 . . 0.50 . . . 132 LEU CA . 132 LEU HA . 15906 3 40 1JCAHA . 1 1 44 44 THR CA C 13 . . 1 1 44 44 THR HA H 1 . 143.47 . . 0.50 . . . 133 THR CA . 133 THR HA . 15906 3 41 1JCAHA . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL HA H 1 . 141.46 . . 0.50 . . . 134 VAL CA . 134 VAL HA . 15906 3 42 1JCAHA . 1 1 46 46 LYS CA C 13 . . 1 1 46 46 LYS HA H 1 . 143.69 . . 0.50 . . . 135 LYS CA . 135 LYS HA . 15906 3 43 1JCAHA . 1 1 47 47 LEU CA C 13 . . 1 1 47 47 LEU HA H 1 . 143.10 . . 0.50 . . . 136 LEU CA . 136 LEU HA . 15906 3 44 1JCAHA . 1 1 50 50 ASP CA C 13 . . 1 1 50 50 ASP HA H 1 . 138.51 . . 0.50 . . . 139 ASP CA . 139 ASP HA . 15906 3 45 1JCAHA . 1 1 51 51 LEU CA C 13 . . 1 1 51 51 LEU HA H 1 . 142.05 . . 0.50 . . . 140 LEU CA . 140 LEU HA . 15906 3 46 1JCAHA . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR HA H 1 . 144.27 . . 0.50 . . . 142 THR CA . 142 THR HA . 15906 3 47 1JCAHA . 1 1 54 54 TYR CA C 13 . . 1 1 54 54 TYR HA H 1 . 144.14 . . 0.50 . . . 143 TYR CA . 143 TYR HA . 15906 3 48 1JCAHA . 1 1 55 55 VAL CA C 13 . . 1 1 55 55 VAL HA H 1 . 143.60 . . 0.50 . . . 144 VAL CA . 144 VAL HA . 15906 3 49 1JCAHA . 1 1 56 56 ILE CA C 13 . . 1 1 56 56 ILE HA H 1 . 142.10 . . 0.50 . . . 145 ILE CA . 145 ILE HA . 15906 3 50 1JCAHA . 1 1 57 57 ASN CA C 13 . . 1 1 57 57 ASN HA H 1 . 141.72 . . 0.50 . . . 146 ASN CA . 146 ASN HA . 15906 3 51 1JCAHA . 1 1 58 58 LYS CA C 13 . . 1 1 58 58 LYS HA H 1 . 144.43 . . 0.50 . . . 147 LYS CA . 147 LYS HA . 15906 3 52 1JCAHA . 1 1 59 59 GLN CA C 13 . . 1 1 59 59 GLN HA H 1 . 141.71 . . 0.50 . . . 148 GLN CA . 148 GLN HA . 15906 3 53 1JCAHA . 1 1 61 61 PRO CA C 13 . . 1 1 61 61 PRO HA H 1 . 154.99 . . 0.50 . . . 150 PRO CA . 150 PRO HA . 15906 3 54 1JCAHA . 1 1 62 62 ASN CA C 13 . . 1 1 62 62 ASN HA H 1 . 142.52 . . 0.50 . . . 151 ASN CA . 151 ASN HA . 15906 3 55 1JCAHA . 1 1 63 63 LYS CA C 13 . . 1 1 63 63 LYS HA H 1 . 134.06 . . 0.50 . . . 152 LYS CA . 152 LYS HA . 15906 3 56 1JCAHA . 1 1 64 64 GLN CA C 13 . . 1 1 64 64 GLN HA H 1 . 142.79 . . 0.50 . . . 153 GLN CA . 153 GLN HA . 15906 3 57 1JCAHA . 1 1 65 65 ILE CA C 13 . . 1 1 65 65 ILE HA H 1 . 141.40 . . 0.50 . . . 154 ILE CA . 154 ILE HA . 15906 3 58 1JCAHA . 1 1 66 66 TRP CA C 13 . . 1 1 66 66 TRP HA H 1 . 139.13 . . 0.50 . . . 155 TRP CA . 155 TRP HA . 15906 3 59 1JCAHA . 1 1 67 67 LEU CA C 13 . . 1 1 67 67 LEU HA H 1 . 144.00 . . 0.50 . . . 156 LEU CA . 156 LEU HA . 15906 3 60 1JCAHA . 1 1 68 68 SER CA C 13 . . 1 1 68 68 SER HA H 1 . 140.87 . . 0.50 . . . 157 SER CA . 157 SER HA . 15906 3 61 1JCAHA . 1 1 70 70 PRO CA C 13 . . 1 1 70 70 PRO HA H 1 . 151.29 . . 0.50 . . . 159 PRO CA . 159 PRO HA . 15906 3 62 1JCAHA . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER HA H 1 . 144.65 . . 0.50 . . . 160 SER CA . 160 SER HA . 15906 3 63 1JCAHA . 1 1 72 72 SER CA C 13 . . 1 1 72 72 SER HA H 1 . 136.16 . . 0.50 . . . 161 SER CA . 161 SER HA . 15906 3 64 1JCAHA . 1 1 74 74 PRO CA C 13 . . 1 1 74 74 PRO HA H 1 . 147.80 . . 0.50 . . . 163 PRO CA . 163 PRO HA . 15906 3 65 1JCAHA . 1 1 75 75 LYS CA C 13 . . 1 1 75 75 LYS HA H 1 . 140.22 . . 0.50 . . . 164 LYS CA . 164 LYS HA . 15906 3 66 1JCAHA . 1 1 76 76 ARG CA C 13 . . 1 1 76 76 ARG HA H 1 . 140.64 . . 0.50 . . . 165 ARG CA . 165 ARG HA . 15906 3 67 1JCAHA . 1 1 77 77 TYR CA C 13 . . 1 1 77 77 TYR HA H 1 . 145.30 . . 0.50 . . . 166 TYR CA . 166 TYR HA . 15906 3 68 1JCAHA . 1 1 78 78 ASP CA C 13 . . 1 1 78 78 ASP HA H 1 . 143.99 . . 0.50 . . . 167 ASP CA . 167 ASP HA . 15906 3 69 1JCAHA . 1 1 79 79 TRP CA C 13 . . 1 1 79 79 TRP HA H 1 . 145.06 . . 0.50 . . . 168 TRP CA . 168 TRP HA . 15906 3 70 1JCAHA . 1 1 82 82 LYS CA C 13 . . 1 1 82 82 LYS HA H 1 . 143.94 . . 0.50 . . . 171 LYS CA . 171 LYS HA . 15906 3 71 1JCAHA . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN HA H 1 . 141.09 . . 0.50 . . . 172 ASN CA . 172 ASN HA . 15906 3 72 1JCAHA . 1 1 84 84 TRP CA C 13 . . 1 1 84 84 TRP HA H 1 . 146.49 . . 0.50 . . . 173 TRP CA . 173 TRP HA . 15906 3 73 1JCAHA . 1 1 85 85 VAL CA C 13 . . 1 1 85 85 VAL HA H 1 . 135.84 . . 0.50 . . . 174 VAL CA . 174 VAL HA . 15906 3 74 1JCAHA . 1 1 86 86 TYR CA C 13 . . 1 1 86 86 TYR HA H 1 . 143.41 . . 0.50 . . . 175 TYR CA . 175 TYR HA . 15906 3 75 1JCAHA . 1 1 87 87 SER CA C 13 . . 1 1 87 87 SER HA H 1 . 145.41 . . 0.50 . . . 176 SER CA . 176 SER HA . 15906 3 76 1JCAHA . 1 1 88 88 HIS CA C 13 . . 1 1 88 88 HIS HA H 1 . 149.63 . . 0.50 . . . 177 HIS CA . 177 HIS HA . 15906 3 77 1JCAHA . 1 1 89 89 ASP CA C 13 . . 1 1 89 89 ASP HA H 1 . 137.94 . . 0.50 . . . 178 ASP CA . 178 ASP HA . 15906 3 78 1JCAHA . 1 1 91 91 VAL CA C 13 . . 1 1 91 91 VAL HA H 1 . 142.36 . . 0.50 . . . 180 VAL CA . 180 VAL HA . 15906 3 79 1JCAHA . 1 1 92 92 SER CA C 13 . . 1 1 92 92 SER HA H 1 . 137.71 . . 0.50 . . . 181 SER CA . 181 SER HA . 15906 3 80 1JCAHA . 1 1 93 93 LEU CA C 13 . . 1 1 93 93 LEU HA H 1 . 151.07 . . 0.50 . . . 182 LEU CA . 182 LEU HA . 15906 3 81 1JCAHA . 1 1 94 94 HIS CA C 13 . . 1 1 94 94 HIS HA H 1 . 148.01 . . 0.50 . . . 183 HIS CA . 183 HIS HA . 15906 3 82 1JCAHA . 1 1 95 95 GLU CA C 13 . . 1 1 95 95 GLU HA H 1 . 146.86 . . 0.50 . . . 184 GLU CA . 184 GLU HA . 15906 3 83 1JCAHA . 1 1 96 96 LEU CA C 13 . . 1 1 96 96 LEU HA H 1 . 149.83 . . 0.50 . . . 185 LEU CA . 185 LEU HA . 15906 3 84 1JCAHA . 1 1 97 97 LEU CA C 13 . . 1 1 97 97 LEU HA H 1 . 144.43 . . 0.50 . . . 186 LEU CA . 186 LEU HA . 15906 3 85 1JCAHA . 1 1 98 98 ALA CA C 13 . . 1 1 98 98 ALA HA H 1 . 148.79 . . 0.50 . . . 187 ALA CA . 187 ALA HA . 15906 3 86 1JCAHA . 1 1 99 99 ALA CA C 13 . . 1 1 99 99 ALA HA H 1 . 149.21 . . 0.50 . . . 188 ALA CA . 188 ALA HA . 15906 3 87 1JCAHA . 1 1 100 100 GLU CA C 13 . . 1 1 100 100 GLU HA H 1 . 147.54 . . 0.50 . . . 189 GLU CA . 189 GLU HA . 15906 3 88 1JCAHA . 1 1 101 101 LEU CA C 13 . . 1 1 101 101 LEU HA H 1 . 145.41 . . 0.50 . . . 190 LEU CA . 190 LEU HA . 15906 3 89 1JCAHA . 1 1 102 102 THR CA C 13 . . 1 1 102 102 THR HA H 1 . 155.57 . . 0.50 . . . 191 THR CA . 191 THR HA . 15906 3 90 1JCAHA . 1 1 103 103 LYS CA C 13 . . 1 1 103 103 LYS HA H 1 . 148.22 . . 0.50 . . . 192 LYS CA . 192 LYS HA . 15906 3 91 1JCAHA . 1 1 104 104 ALA CA C 13 . . 1 1 104 104 ALA HA H 1 . 148.48 . . 0.50 . . . 193 ALA CA . 193 ALA HA . 15906 3 92 1JCAHA . 1 1 105 105 LEU CA C 13 . . 1 1 105 105 LEU HA H 1 . 140.50 . . 0.50 . . . 194 LEU CA . 194 LEU HA . 15906 3 93 1JCAHA . 1 1 106 106 LYS CA C 13 . . 1 1 106 106 LYS HA H 1 . 134.95 . . 0.50 . . . 195 LYS CA . 195 LYS HA . 15906 3 94 1JCAHA . 1 1 107 107 THR CA C 13 . . 1 1 107 107 THR HA H 1 . 142.66 . . 0.50 . . . 196 THR CA . 196 THR HA . 15906 3 95 1JCAHA . 1 1 108 108 LYS CA C 13 . . 1 1 108 108 LYS HA H 1 . 141.52 . . 0.50 . . . 197 LYS CA . 197 LYS HA . 15906 3 96 1JCAHA . 1 1 109 109 LEU CA C 13 . . 1 1 109 109 LEU HA H 1 . 141.21 . . 0.50 . . . 198 LEU CA . 198 LEU HA . 15906 3 97 1JCAHA . 1 1 110 110 ASP CA C 13 . . 1 1 110 110 ASP HA H 1 . 147.30 . . 0.50 . . . 199 ASP CA . 199 ASP HA . 15906 3 98 1JCAHA . 1 1 111 111 LEU CA C 13 . . 1 1 111 111 LEU HA H 1 . 136.96 . . 0.50 . . . 200 LEU CA . 200 LEU HA . 15906 3 99 1JCAHA . 1 1 113 113 SER CA C 13 . . 1 1 113 113 SER HA H 1 . 142.67 . . 0.50 . . . 202 SER CA . 202 SER HA . 15906 3 100 1JCAHA . 1 1 114 114 LEU CA C 13 . . 1 1 114 114 LEU HA H 1 . 142.22 . . 0.50 . . . 203 LEU CA . 203 LEU HA . 15906 3 101 1JCAHA . 1 1 115 115 ALA CA C 13 . . 1 1 115 115 ALA HA H 1 . 145.22 . . 0.50 . . . 204 ALA CA . 204 ALA HA . 15906 3 102 1JCAHA . 1 1 116 116 TYR CA C 13 . . 1 1 116 116 TYR HA H 1 . 134.32 . . 0.50 . . . 205 TYR CA . 205 TYR HA . 15906 3 103 1JCAHA . 1 1 117 117 SER CA C 13 . . 1 1 117 117 SER HA H 1 . 143.88 . . 0.50 . . . 206 SER CA . 206 SER HA . 15906 3 104 1JCAHA . 1 1 119 119 LYS CA C 13 . . 1 1 119 119 LYS HA H 1 . 143.89 . . 0.50 . . . 208 LYS CA . 208 LYS HA . 15906 3 105 1JCAHA . 1 1 120 120 ASP CA C 13 . . 1 1 120 120 ASP HA H 1 . 142.72 . . 0.50 . . . 209 ASP CA . 209 ASP HA . 15906 3 stop_ save_ save_1JCaCb _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaCb _Coupling_constant_list.Entry_ID 15906 _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 800 _Coupling_constant_list.Details 'Ca evolution time typically 70-90ms' _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 Cb-coupled [15N,1H]-TROSY-HN(CO)CA' . . . 15906 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 1JCACB . 1 1 4 4 THR CA C 13 . . 1 1 4 4 THR CB C 13 . 34.83 . . 0.50 . . . 93 THR CA . 93 THR CB . 15906 4 2 1JCACB . 1 1 6 6 TYR CA C 13 . . 1 1 6 6 TYR CB C 13 . 32.16 . . 0.50 . . . 95 TYR CA . 95 TYR CB . 15906 4 3 1JCACB . 1 1 7 7 GLU CA C 13 . . 1 1 7 7 GLU CB C 13 . 33.13 . . 0.50 . . . 96 GLU CA . 96 GLU CB . 15906 4 4 1JCACB . 1 1 8 8 ARG CA C 13 . . 1 1 8 8 ARG CB C 13 . 32.56 . . 0.50 . . . 97 ARG CA . 97 ARG CB . 15906 4 5 1JCACB . 1 1 9 9 LEU CA C 13 . . 1 1 9 9 LEU CB C 13 . 32.89 . . 0.50 . . . 98 LEU CA . 98 LEU CB . 15906 4 6 1JCACB . 1 1 10 10 ALA CA C 13 . . 1 1 10 10 ALA CB C 13 . 33.92 . . 0.50 . . . 99 ALA CA . 99 ALA CB . 15906 4 7 1JCACB . 1 1 11 11 GLU CA C 13 . . 1 1 11 11 GLU CB C 13 . 32.82 . . 0.50 . . . 100 GLU CA . 100 GLU CB . 15906 4 8 1JCACB . 1 1 12 12 GLU CA C 13 . . 1 1 12 12 GLU CB C 13 . 32.80 . . 0.50 . . . 101 GLU CA . 101 GLU CB . 15906 4 9 1JCACB . 1 1 13 13 THR CA C 13 . . 1 1 13 13 THR CB C 13 . 37.20 . . 0.50 . . . 102 THR CA . 102 THR CB . 15906 4 10 1JCACB . 1 1 14 14 LEU CA C 13 . . 1 1 14 14 LEU CB C 13 . 33.41 . . 0.50 . . . 103 LEU CA . 103 LEU CB . 15906 4 11 1JCACB . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP CB C 13 . 34.17 . . 0.50 . . . 104 ASP CA . 104 ASP CB . 15906 4 12 1JCACB . 1 1 16 16 SER CA C 13 . . 1 1 16 16 SER CB C 13 . 39.15 . . 0.50 . . . 105 SER CA . 105 SER CB . 15906 4 13 1JCACB . 1 1 17 17 LEU CA C 13 . . 1 1 17 17 LEU CB C 13 . 33.55 . . 0.50 . . . 106 LEU CA . 106 LEU CB . 15906 4 14 1JCACB . 1 1 18 18 ALA CA C 13 . . 1 1 18 18 ALA CB C 13 . 33.31 . . 0.50 . . . 107 ALA CA . 107 ALA CB . 15906 4 15 1JCACB . 1 1 19 19 GLU CA C 13 . . 1 1 19 19 GLU CB C 13 . 33.15 . . 0.50 . . . 108 GLU CA . 108 GLU CB . 15906 4 16 1JCACB . 1 1 20 20 PHE CA C 13 . . 1 1 20 20 PHE CB C 13 . 31.88 . . 0.50 . . . 109 PHE CA . 109 PHE CB . 15906 4 17 1JCACB . 1 1 21 21 PHE CA C 13 . . 1 1 21 21 PHE CB C 13 . 33.51 . . 0.50 . . . 110 PHE CA . 110 PHE CB . 15906 4 18 1JCACB . 1 1 22 22 GLU CA C 13 . . 1 1 22 22 GLU CB C 13 . 33.07 . . 0.50 . . . 111 GLU CA . 111 GLU CB . 15906 4 19 1JCACB . 1 1 23 23 ASP CA C 13 . . 1 1 23 23 ASP CB C 13 . 34.14 . . 0.50 . . . 112 ASP CA . 112 ASP CB . 15906 4 20 1JCACB . 1 1 24 24 LEU CA C 13 . . 1 1 24 24 LEU CB C 13 . 33.86 . . 0.50 . . . 113 LEU CA . 113 LEU CB . 15906 4 21 1JCACB . 1 1 25 25 ALA CA C 13 . . 1 1 25 25 ALA CB C 13 . 33.61 . . 0.50 . . . 114 ALA CA . 114 ALA CB . 15906 4 22 1JCACB . 1 1 26 26 ASP CA C 13 . . 1 1 26 26 ASP CB C 13 . 37.96 . . 0.50 . . . 115 ASP CA . 115 ASP CB . 15906 4 23 1JCACB . 1 1 28 28 PRO CA C 13 . . 1 1 28 28 PRO CB C 13 . 32.04 . . 0.50 . . . 117 PRO CA . 117 PRO CB . 15906 4 24 1JCACB . 1 1 29 29 TYR CA C 13 . . 1 1 29 29 TYR CB C 13 . 34.42 . . 0.50 . . . 118 TYR CA . 118 TYR CB . 15906 4 25 1JCACB . 1 1 30 30 THR CA C 13 . . 1 1 30 30 THR CB C 13 . 38.55 . . 0.50 . . . 119 THR CA . 119 THR CB . 15906 4 26 1JCACB . 1 1 32 32 GLU CA C 13 . . 1 1 32 32 GLU CB C 13 . 33.22 . . 0.50 . . . 121 GLU CA . 121 GLU CB . 15906 4 27 1JCACB . 1 1 33 33 ASP CA C 13 . . 1 1 33 33 ASP CB C 13 . 38.37 . . 0.50 . . . 122 ASP CA . 122 ASP CB . 15906 4 28 1JCACB . 1 1 34 34 TYR CA C 13 . . 1 1 34 34 TYR CB C 13 . 33.08 . . 0.50 . . . 123 TYR CA . 123 TYR CB . 15906 4 29 1JCACB . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP CB C 13 . 33.37 . . 0.50 . . . 124 ASP CA . 124 ASP CB . 15906 4 30 1JCACB . 1 1 36 36 VAL CA C 13 . . 1 1 36 36 VAL CB C 13 . 34.02 . . 0.50 . . . 125 VAL CA . 125 VAL CB . 15906 4 31 1JCACB . 1 1 38 38 PHE CA C 13 . . 1 1 38 38 PHE CB C 13 . 34.88 . . 0.50 . . . 127 PHE CA . 127 PHE CB . 15906 4 32 1JCACB . 1 1 42 42 VAL CA C 13 . . 1 1 42 42 VAL CB C 13 . 34.19 . . 0.50 . . . 131 VAL CA . 131 VAL CB . 15906 4 33 1JCACB . 1 1 43 43 LEU CA C 13 . . 1 1 43 43 LEU CB C 13 . 35.77 . . 0.50 . . . 132 LEU CA . 132 LEU CB . 15906 4 34 1JCACB . 1 1 44 44 THR CA C 13 . . 1 1 44 44 THR CB C 13 . 39.29 . . 0.50 . . . 133 THR CA . 133 THR CB . 15906 4 35 1JCACB . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL CB C 13 . 36.31 . . 0.50 . . . 134 VAL CA . 134 VAL CB . 15906 4 36 1JCACB . 1 1 46 46 LYS CA C 13 . . 1 1 46 46 LYS CB C 13 . 36.50 . . 0.50 . . . 135 LYS CA . 135 LYS CB . 15906 4 37 1JCACB . 1 1 47 47 LEU CA C 13 . . 1 1 47 47 LEU CB C 13 . 34.57 . . 0.50 . . . 136 LEU CA . 136 LEU CB . 15906 4 38 1JCACB . 1 1 50 50 ASP CA C 13 . . 1 1 50 50 ASP CB C 13 . 38.44 . . 0.50 . . . 139 ASP CA . 139 ASP CB . 15906 4 39 1JCACB . 1 1 51 51 LEU CA C 13 . . 1 1 51 51 LEU CB C 13 . 34.27 . . 0.50 . . . 140 LEU CA . 140 LEU CB . 15906 4 40 1JCACB . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR CB C 13 . 38.03 . . 0.50 . . . 142 THR CA . 142 THR CB . 15906 4 41 1JCACB . 1 1 54 54 TYR CA C 13 . . 1 1 54 54 TYR CB C 13 . 33.86 . . 0.50 . . . 143 TYR CA . 143 TYR CB . 15906 4 42 1JCACB . 1 1 55 55 VAL CA C 13 . . 1 1 55 55 VAL CB C 13 . 35.12 . . 0.50 . . . 144 VAL CA . 144 VAL CB . 15906 4 43 1JCACB . 1 1 56 56 ILE CA C 13 . . 1 1 56 56 ILE CB C 13 . 35.70 . . 0.50 . . . 145 ILE CA . 145 ILE CB . 15906 4 44 1JCACB . 1 1 57 57 ASN CA C 13 . . 1 1 57 57 ASN CB C 13 . 32.44 . . 0.50 . . . 146 ASN CA . 146 ASN CB . 15906 4 45 1JCACB . 1 1 58 58 LYS CA C 13 . . 1 1 58 58 LYS CB C 13 . 33.06 . . 0.50 . . . 147 LYS CA . 147 LYS CB . 15906 4 46 1JCACB . 1 1 59 59 GLN CA C 13 . . 1 1 59 59 GLN CB C 13 . 33.97 . . 0.50 . . . 148 GLN CA . 148 GLN CB . 15906 4 47 1JCACB . 1 1 62 62 ASN CA C 13 . . 1 1 62 62 ASN CB C 13 . 35.65 . . 0.50 . . . 151 ASN CA . 151 ASN CB . 15906 4 48 1JCACB . 1 1 63 63 LYS CA C 13 . . 1 1 63 63 LYS CB C 13 . 38.80 . . 0.50 . . . 152 LYS CA . 152 LYS CB . 15906 4 49 1JCACB . 1 1 64 64 GLN CA C 13 . . 1 1 64 64 GLN CB C 13 . 34.45 . . 0.50 . . . 153 GLN CA . 153 GLN CB . 15906 4 50 1JCACB . 1 1 65 65 ILE CA C 13 . . 1 1 65 65 ILE CB C 13 . 35.70 . . 0.50 . . . 154 ILE CA . 154 ILE CB . 15906 4 51 1JCACB . 1 1 66 66 TRP CA C 13 . . 1 1 66 66 TRP CB C 13 . 35.47 . . 0.50 . . . 155 TRP CA . 155 TRP CB . 15906 4 52 1JCACB . 1 1 67 67 LEU CA C 13 . . 1 1 67 67 LEU CB C 13 . 33.99 . . 0.50 . . . 156 LEU CA . 156 LEU CB . 15906 4 53 1JCACB . 1 1 68 68 SER CA C 13 . . 1 1 68 68 SER CB C 13 . 41.76 . . 0.50 . . . 157 SER CA . 157 SER CB . 15906 4 54 1JCACB . 1 1 70 70 PRO CA C 13 . . 1 1 70 70 PRO CB C 13 . 31.95 . . 0.50 . . . 159 PRO CA . 159 PRO CB . 15906 4 55 1JCACB . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER CB C 13 . 38.46 . . 0.50 . . . 160 SER CA . 160 SER CB . 15906 4 56 1JCACB . 1 1 72 72 SER CA C 13 . . 1 1 72 72 SER CB C 13 . 40.74 . . 0.50 . . . 161 SER CA . 161 SER CB . 15906 4 57 1JCACB . 1 1 74 74 PRO CA C 13 . . 1 1 74 74 PRO CB C 13 . 31.92 . . 0.50 . . . 163 PRO CA . 163 PRO CB . 15906 4 58 1JCACB . 1 1 75 75 LYS CA C 13 . . 1 1 75 75 LYS CB C 13 . 33.26 . . 0.50 . . . 164 LYS CA . 164 LYS CB . 15906 4 59 1JCACB . 1 1 76 76 ARG CA C 13 . . 1 1 76 76 ARG CB C 13 . 33.02 . . 0.50 . . . 165 ARG CA . 165 ARG CB . 15906 4 60 1JCACB . 1 1 77 77 TYR CA C 13 . . 1 1 77 77 TYR CB C 13 . 32.91 . . 0.50 . . . 166 TYR CA . 166 TYR CB . 15906 4 61 1JCACB . 1 1 78 78 ASP CA C 13 . . 1 1 78 78 ASP CB C 13 . 33.47 . . 0.50 . . . 167 ASP CA . 167 ASP CB . 15906 4 62 1JCACB . 1 1 79 79 TRP CA C 13 . . 1 1 79 79 TRP CB C 13 . 33.66 . . 0.50 . . . 168 TRP CA . 168 TRP CB . 15906 4 63 1JCACB . 1 1 82 82 LYS CA C 13 . . 1 1 82 82 LYS CB C 13 . 33.74 . . 0.50 . . . 171 LYS CA . 171 LYS CB . 15906 4 64 1JCACB . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN CB C 13 . 37.27 . . 0.50 . . . 172 ASN CA . 172 ASN CB . 15906 4 65 1JCACB . 1 1 84 84 TRP CA C 13 . . 1 1 84 84 TRP CB C 13 . 33.25 . . 0.50 . . . 173 TRP CA . 173 TRP CB . 15906 4 66 1JCACB . 1 1 85 85 VAL CA C 13 . . 1 1 85 85 VAL CB C 13 . 32.90 . . 0.50 . . . 174 VAL CA . 174 VAL CB . 15906 4 67 1JCACB . 1 1 86 86 TYR CA C 13 . . 1 1 86 86 TYR CB C 13 . 36.03 . . 0.50 . . . 175 TYR CA . 175 TYR CB . 15906 4 68 1JCACB . 1 1 88 88 HIS CA C 13 . . 1 1 88 88 HIS CB C 13 . 32.67 . . 0.50 . . . 177 HIS CA . 177 HIS CB . 15906 4 69 1JCACB . 1 1 89 89 ASP CA C 13 . . 1 1 89 89 ASP CB C 13 . 37.72 . . 0.50 . . . 178 ASP CA . 178 ASP CB . 15906 4 70 1JCACB . 1 1 91 91 VAL CA C 13 . . 1 1 91 91 VAL CB C 13 . 34.13 . . 0.50 . . . 180 VAL CA . 180 VAL CB . 15906 4 71 1JCACB . 1 1 92 92 SER CA C 13 . . 1 1 92 92 SER CB C 13 . 38.46 . . 0.50 . . . 181 SER CA . 181 SER CB . 15906 4 72 1JCACB . 1 1 93 93 LEU CA C 13 . . 1 1 93 93 LEU CB C 13 . 32.88 . . 0.50 . . . 182 LEU CA . 182 LEU CB . 15906 4 73 1JCACB . 1 1 94 94 HIS CA C 13 . . 1 1 94 94 HIS CB C 13 . 32.58 . . 0.50 . . . 183 HIS CA . 183 HIS CB . 15906 4 74 1JCACB . 1 1 95 95 GLU CA C 13 . . 1 1 95 95 GLU CB C 13 . 32.82 . . 0.50 . . . 184 GLU CA . 184 GLU CB . 15906 4 75 1JCACB . 1 1 96 96 LEU CA C 13 . . 1 1 96 96 LEU CB C 13 . 32.35 . . 0.50 . . . 185 LEU CA . 185 LEU CB . 15906 4 76 1JCACB . 1 1 97 97 LEU CA C 13 . . 1 1 97 97 LEU CB C 13 . 33.69 . . 0.50 . . . 186 LEU CA . 186 LEU CB . 15906 4 77 1JCACB . 1 1 98 98 ALA CA C 13 . . 1 1 98 98 ALA CB C 13 . 33.23 . . 0.50 . . . 187 ALA CA . 187 ALA CB . 15906 4 78 1JCACB . 1 1 99 99 ALA CA C 13 . . 1 1 99 99 ALA CB C 13 . 33.30 . . 0.50 . . . 188 ALA CA . 188 ALA CB . 15906 4 79 1JCACB . 1 1 100 100 GLU CA C 13 . . 1 1 100 100 GLU CB C 13 . 33.09 . . 0.50 . . . 189 GLU CA . 189 GLU CB . 15906 4 80 1JCACB . 1 1 101 101 LEU CA C 13 . . 1 1 101 101 LEU CB C 13 . 33.77 . . 0.50 . . . 190 LEU CA . 190 LEU CB . 15906 4 81 1JCACB . 1 1 102 102 THR CA C 13 . . 1 1 102 102 THR CB C 13 . 37.90 . . 0.50 . . . 191 THR CA . 191 THR CB . 15906 4 82 1JCACB . 1 1 103 103 LYS CA C 13 . . 1 1 103 103 LYS CB C 13 . 32.79 . . 0.50 . . . 192 LYS CA . 192 LYS CB . 15906 4 83 1JCACB . 1 1 104 104 ALA CA C 13 . . 1 1 104 104 ALA CB C 13 . 33.51 . . 0.50 . . . 193 ALA CA . 193 ALA CB . 15906 4 84 1JCACB . 1 1 105 105 LEU CA C 13 . . 1 1 105 105 LEU CB C 13 . 35.34 . . 0.50 . . . 194 LEU CA . 194 LEU CB . 15906 4 85 1JCACB . 1 1 106 106 LYS CA C 13 . . 1 1 106 106 LYS CB C 13 . 38.36 . . 0.50 . . . 195 LYS CA . 195 LYS CB . 15906 4 86 1JCACB . 1 1 107 107 THR CA C 13 . . 1 1 107 107 THR CB C 13 . 37.22 . . 0.50 . . . 196 THR CA . 196 THR CB . 15906 4 87 1JCACB . 1 1 108 108 LYS CA C 13 . . 1 1 108 108 LYS CB C 13 . 34.89 . . 0.50 . . . 197 LYS CA . 197 LYS CB . 15906 4 88 1JCACB . 1 1 109 109 LEU CA C 13 . . 1 1 109 109 LEU CB C 13 . 35.13 . . 0.50 . . . 198 LEU CA . 198 LEU CB . 15906 4 89 1JCACB . 1 1 111 111 LEU CA C 13 . . 1 1 111 111 LEU CB C 13 . 38.10 . . 0.50 . . . 200 LEU CA . 200 LEU CB . 15906 4 90 1JCACB . 1 1 113 113 SER CA C 13 . . 1 1 113 113 SER CB C 13 . 40.20 . . 0.50 . . . 202 SER CA . 202 SER CB . 15906 4 91 1JCACB . 1 1 114 114 LEU CA C 13 . . 1 1 114 114 LEU CB C 13 . 33.58 . . 0.50 . . . 203 LEU CA . 203 LEU CB . 15906 4 92 1JCACB . 1 1 115 115 ALA CA C 13 . . 1 1 115 115 ALA CB C 13 . 34.22 . . 0.50 . . . 204 ALA CA . 204 ALA CB . 15906 4 93 1JCACB . 1 1 116 116 TYR CA C 13 . . 1 1 116 116 TYR CB C 13 . 37.53 . . 0.50 . . . 205 TYR CA . 205 TYR CB . 15906 4 94 1JCACB . 1 1 117 117 SER CA C 13 . . 1 1 117 117 SER CB C 13 . 37.93 . . 0.50 . . . 206 SER CA . 206 SER CB . 15906 4 95 1JCACB . 1 1 120 120 ASP CA C 13 . . 1 1 120 120 ASP CB C 13 . 36.61 . . 0.50 . . . 209 ASP CA . 209 ASP CB . 15906 4 stop_ save_