data_15905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15905 _Entry.Title ; 1J coupling constants related to the Ca carbons in Ribonuclease T1 from Aspergillus oryzae ; _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. . 15905 2 Frank Lohr . . . 15905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 4 15905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 360 15905 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 'complete entry citation' 15905 1 . . 2008-11-19 2008-08-04 original author 'original release' 15905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 133 '1H chemical shift assignments for Ribonuclease T1' 15905 BMRB 15904 '1J coupling constants related to the Ca carbons in oxidised Flavodxin' 15905 BMRB 15906 '1J coupling constants related to the Ca carbons in Frataxin C-terminal domain' 15905 BMRB 15907 '1J coupling constants related to the Ca carbons in human Ubiquitin' 15905 BMRB 15908 '1J coupling constants related to the Ca carbons in Xylanase' 15905 BMRB 15909 '1J coupling constants related to the Ca carbons in DFPase' 15905 BMRB 1658 '15N chemical shift assignments for Ribonuclease T1' 15905 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15905 _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. 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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. . 15905 1 2 Mark Howard . J. . 15905 1 3 Mitcheell Maestre-Martinez . . . 15905 1 4 Carlos Perez . S. . 15905 1 5 Frank Lohr . . . 15905 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'data mining' 15905 1 'one-bond coupling' 15905 1 statistics 15905 1 'torsion angles' 15905 1 stop_ save_ save_Wang_et_al_1995 _Citation.Sf_category citations _Citation.Sf_framecode Wang_et_al_1995 _Citation.Entry_ID 15905 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7647557 _Citation.Full_citation . _Citation.Title 'Sequential backbone assignment of isotopically enriched proteins in D2O by deuterium-decoupled HA(CA)N and HA(CACO)N' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 376 _Citation.Page_last 382 _Citation.Year 1995 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Wang . C. . 15905 2 2 S. Grzesiek . . . 15905 2 3 R. Tschudin . . . 15905 2 4 P. Lodi . J. . 15905 2 5 A. Bax . . . 15905 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAN measurement in proline' 15905 2 stop_ save_ save_Salzmann_et_al_1998 _Citation.Sf_category citations _Citation.Sf_framecode Salzmann_et_al_1998 _Citation.Entry_ID 15905 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9811843 _Citation.Full_citation . _Citation.Title 'TROSY in triple-resonance experiments: New perspectives for sequential NMR assignment of large proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 95 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13585 _Citation.Page_last 13590 _Citation.Year 1998 _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 . . . 15905 3 2 K. Pervushin . . . 15905 3 3 G. Wider . . . 15905 3 4 H. Senn . . . 15905 3 5 K. Wuthrich . . . 15905 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACO measurement' 15905 3 '1JCAHA measurement' 15905 3 'TROSY method' 15905 3 stop_ save_ save_Lohr_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1999 _Citation.Entry_ID 15905 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Recording heteronuclear quantitative J-correlation spectra with internal reference peaks' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bull. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9 _Citation.Page_last 14 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . 15905 4 2 C. Perez . . . 15905 4 3 J. Schmidt . M. . 15905 4 4 H. Ruterjans . . . 15905 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAN measurement' 15905 4 'quantitative J-correlation' 15905 4 stop_ save_ save_Salzmann_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Salzmann_et_al_1999 _Citation.Entry_ID 15905 _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 . . . 15905 5 2 G. Wider . . . 15905 5 3 K. Pervushin . . . 15905 5 4 H. Senn . . . 15905 5 5 K. Wuthrich . . . 15905 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACB measurement' 15905 5 'TROSY method' 15905 5 stop_ save_ save_Yang_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Yang_et_al_1999 _Citation.Entry_ID 15905 _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 . . . 15905 6 2 R. Venters . A. . 15905 6 3 G. Mueller . A. . 15905 6 4 W. Choy . Y. . 15905 6 5 L. Kay . E. . 15905 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCACO measurement' 15905 6 stop_ save_ save_Permi_&_Annila_2000 _Citation.Sf_category citations _Citation.Sf_framecode Permi_&_Annila_2000 _Citation.Entry_ID 15905 _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 . . . 15905 7 2 A. Annila . . . 15905 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAN measurement' 15905 7 stop_ save_ save_Evenas_et_al_2001 _Citation.Sf_category citations _Citation.Sf_framecode Evenas_et_al_2001 _Citation.Entry_ID 15905 _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. 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Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 156 _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 155 _Citation.Page_last 159 _Citation.Year 2002 _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 B. 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Nietlispach . . . 15905 10 2 Y. Ito . . . 15905 10 3 E. Laue . D. . 15905 10 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAHA measurement' 15905 10 stop_ save_ save_Permi_2002 _Citation.Sf_category citations _Citation.Sf_framecode Permi_2002 _Citation.Entry_ID 15905 _Citation.ID 11 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12238592 _Citation.Full_citation . _Citation.Title 'Intraresidual HNCA: An experiment for correlating only intraresidual backbone resonances' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. 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Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 180 _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 127 _Citation.Page_last 136 _Citation.Year 2006 _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 G. Ball . . . 15905 13 2 N. Meenan . . . 15905 13 3 K. Bromek . . . 15905 13 4 B. Smith . O. . 15905 13 5 J. Bella . . . 15905 13 6 D. Uhrin . . . 15905 13 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1JCAHA measurement' 15905 13 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15905 _Assembly.ID 1 _Assembly.Name 'Ribonuclease T1' _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 11089.3 _Assembly.Enzyme_commission_number 3.1.27.3 _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 $RNase_T1 A . yes native no no . . . 15905 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 1IYY . . 'solution NMR' . 'RNaseT1 (Gln25 isoenzyme)' . 15905 1 yes PDB 1YGW . . 'solution NMR' . 'RNaseT1 (Lys25 isoenzyme)' . 15905 1 yes PDB 3RNT . . X-ray 1.8 'RNaseT1:(VO4)5+ complex' . 15905 1 yes PDB 8RNT . . X-ray 1.8 'RNaseT1:Zn2+ complex' . 15905 1 yes PDB 9RNT . . X-ray 1.5 'RNaseT1:Ca2+ complex' . 15905 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'guanine-specific ssRNA cleavage' 15905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_T1 _Entity.Sf_category entity _Entity.Sf_framecode RNase_T1 _Entity.Entry_ID 15905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNase_T1 _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 ; ACDYTCGSNCYSSSDVSTAQ AAGYKLHEDGETVGSNSYPH KYNNYEGFDFSVSSPYYEWP ILSSGDVYSGGSPGADRVVF NENNQLAGVITHTGASGNNF VECT ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.27.3 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11089.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Lys25 isoenzyme' _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 16469 . RNase_T1 . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 2 no BMRB 1658 . "ribonuclease T1" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 3 no BMRB 16580 . RNase_T1 . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 4 no PDB 1B2M . "Three-Dimensional Structure Of Ribonulcease T1 Complexed With An Isosteric Phosphonate Analogue Of Gpu: Alternate Substrate Bin" . . . . . 100.00 104 99.04 100.00 1.20e-67 . . . . 15905 1 5 no PDB 1BIR . "Ribonuclease T1, Phe 100 To Ala Mutant Complexed With 2' Gmp" . . . . . 100.00 104 99.04 99.04 4.96e-67 . . . . 15905 1 6 no PDB 1BU4 . "Ribonuclease 1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 7 no PDB 1BVI . "Ribonuclease T1 (Wildtype) Complexed With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 8 no PDB 1DET . "Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" . . . . . 100.00 104 98.08 99.04 1.12e-66 . . . . 15905 1 9 no PDB 1FYS . "Ribonuclease T1 V16c Mutant" . . . . . 100.00 104 99.04 99.04 3.50e-67 . . . . 15905 1 10 no PDB 1FZU . "Rnase T1 V78a Mutant" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 15905 1 11 no PDB 1G02 . "Ribonuclease T1 V16s Mutant" . . . . . 100.00 104 99.04 99.04 2.81e-67 . . . . 15905 1 12 no PDB 1GSP . "Ribonuclease T1 Complexed With 2',3'-Cgps, 1 Day" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 13 no PDB 1HYF . "Ribonuclease T1 V16a Mutant In Complex With Sr2+" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 15905 1 14 no PDB 1HZ1 . "Ribonuclease T1 V16a Mutant In Complex With Mg2+" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 15905 1 15 no PDB 1I0V . "Ribonuclease T1 In Complex With 2'gmp (Form I Crystal)" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 16 no PDB 1I0X . "Ribonuclease T1 In Complex With 2'gmp (Form Ii Crystal)" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 17 no PDB 1I2E . "Ribonuclease T1 V16a Mutant, Form I" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 15905 1 18 no PDB 1I2F . "Ribonuclease T1 V16a Mutant, Form Ii" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 15905 1 19 no PDB 1I2G . "Ribonuclease T1 V16t Mutant" . . . . . 100.00 104 99.04 99.04 1.37e-67 . . . . 15905 1 20 no PDB 1I3F . "Ribonuclease T1 V89s Mutant" . . . . . 100.00 104 99.04 99.04 2.81e-67 . . . . 15905 1 21 no PDB 1I3I . "Ribonuclease T1 V78t Mutant" . . . . . 100.00 104 99.04 99.04 1.37e-67 . . . . 15905 1 22 no PDB 1IYY . "Nmr Structure Of Gln25-Ribonuclease T1, 24 Structures" . . . . . 100.00 104 99.04 100.00 1.20e-67 . . . . 15905 1 23 no PDB 1LOV . "X-ray Structure Of The E58a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" . . . . . 100.00 104 99.04 99.04 2.26e-67 . . . . 15905 1 24 no PDB 1LOW . "X-ray Structure Of The H40a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" . . . . . 100.00 104 99.04 99.04 6.03e-67 . . . . 15905 1 25 no PDB 1LOY . "X-Ray Structure Of The H40aE58A MUTANT OF RIBONUCLEASE T1 Complexed With 3'-Guanosine Monophosphate" . . . . . 100.00 104 98.08 98.08 3.38e-66 . . . . 15905 1 26 no PDB 1LRA . "Crystallographic Study Of Glu 58 Ala Rnase T1(Asterisk)2'-Guanosine Monophosphate At 1.9 Angstroms Resolution" . . . . . 100.00 104 99.04 99.04 2.26e-67 . . . . 15905 1 27 no PDB 1RGA . "Crystal Structure Of Rnase T1 With 3'-Gmp And Guanosine: A Product Complex" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 28 no PDB 1RGC . "The Complex Between Ribonuclease T1 And 3'-guanylic Acid Suggests Geometry Of Enzymatic Reaction Path. An X-ray Study" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 29 no PDB 1RGK . "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" . . . . . 100.00 104 99.04 100.00 8.65e-68 . . . . 15905 1 30 no PDB 1RGL . "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" . . . . . 100.00 104 99.04 100.00 8.65e-68 . . . . 15905 1 31 no PDB 1RHL . "Ribonuclease T1 Complexed With 2'gmpG23A MUTANT" . . . . . 100.00 104 99.04 99.04 1.72e-67 . . . . 15905 1 32 no PDB 1RLS . "Crystal Structure Of Rnase T1 Complexed With The Product Nucleotide 3'-Gmp. Structural Evidence For Direct Interaction Of Histi" . . . . . 100.00 104 99.04 100.00 1.20e-67 . . . . 15905 1 33 no PDB 1RN1 . "Three-Dimensional Structure Of Gln 25-Ribonuclease T1 At 1.84 Angstroms Resolution: Structural Variations At The Base Recogniti" . . . . . 100.00 104 99.04 100.00 1.20e-67 . . . . 15905 1 34 no PDB 1RN4 . "His92ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" . . . . . 100.00 104 99.04 99.04 6.03e-67 . . . . 15905 1 35 no PDB 1RNT . "Restrained Least-Squares Refinement Of The Crystal Structure Of The Ribonuclease T1(Asterisk)2(Prime)- Guanylic Acid Complex At" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 36 no PDB 1TRP . "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" . . . . . 100.00 104 98.08 100.00 3.45e-66 . . . . 15905 1 37 no PDB 1TRQ . "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" . . . . . 100.00 104 99.04 100.00 4.80e-67 . . . . 15905 1 38 no PDB 1YGW . "Nmr Structure Of Ribonuclease T1, 34 Structures" . . . . . 99.04 104 100.00 100.00 1.72e-67 . . . . 15905 1 39 no PDB 2AAD . "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" . . . . . 100.00 104 99.04 99.04 3.94e-67 . . . . 15905 1 40 no PDB 2AAE . "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" . . . . . 100.00 104 99.04 99.04 3.94e-67 . . . . 15905 1 41 no PDB 2BIR . "Additivity Of Substrate Binding In Ribonuclease T1 (Y42a Mutant)" . . . . . 100.00 104 98.08 98.08 3.45e-66 . . . . 15905 1 42 no PDB 2BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 43 no PDB 2GSP . "Ribonuclease T12',3'-Cgps And 3'-Gmp, 2 Days" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 44 no PDB 2HOH . "Ribonuclease T1 (n9a Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 2.72e-67 . . . . 15905 1 45 no PDB 2RNT . "Three-Dimensional Structure Of Ribonuclease T1 Complexed With Guanylyl-2(Prime),5(Prime)-Guanosine At 1.8 Angstroms Resolution" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 46 no PDB 3BIR . "Disecting Histidine Interactions In Ribonuclease T1 By Asn And Gln Substitutions" . . . . . 100.00 104 99.04 100.00 3.53e-67 . . . . 15905 1 47 no PDB 3BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 48 no PDB 3GSP . "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 4 Days" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 49 no PDB 3HOH . "Ribonuclease T1 (Thr93gln Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 1.84e-67 . . . . 15905 1 50 no PDB 3RNT . "Crystal Structure Of Guanosine-Free Ribonuclease T1, Complexed With Vanadate(V), Suggests Conformational Change Upon Substrate " . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 51 no PDB 3SYU . "Re-Refined Coordinates For Pdb Entry 1det - Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" . . . . . 100.00 104 98.08 99.04 1.12e-66 . . . . 15905 1 52 no PDB 3URP . "Re-refinement Of Pdb Entry 5rnt - Ribonuclease T1 With Guanosine-3', 5'-diphosphate And Phosphate Ion Bound" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 53 no PDB 4BIR . "Ribonuclease T1: Free His92gln Mutant" . . . . . 100.00 104 99.04 99.04 2.66e-67 . . . . 15905 1 54 no PDB 4BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 55 no PDB 4GSP . "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 7 Days" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 56 no PDB 4HOH . "Ribonuclease T1 (Thr93ala Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 1.70e-67 . . . . 15905 1 57 no PDB 4RNT . "His 92 Ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" . . . . . 100.00 104 99.04 99.04 6.03e-67 . . . . 15905 1 58 no PDB 5BIR . "Disecting Histidine Interactions In Ribonuclease T1 Using Asn And Gln Mutations" . . . . . 100.00 104 99.04 99.04 2.66e-67 . . . . 15905 1 59 no PDB 5BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 60 no PDB 5GSP . "Ribonuclease T13'-Gmp, 9 Weeks" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 61 no PDB 5HOH . "Ribonuclease T1 (Asn9alaTHR93ALA DOUBLEMUTANT) COMPLEXED With 2'gmp" . . . . . 100.00 104 98.08 98.08 1.28e-66 . . . . 15905 1 62 no PDB 5RNT . "X-Ray Analysis Of Cubic Crystals Of The Complex Formed Between Ribonuclease T1 And Guanosine-3',5'-Bisphosphate" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 63 no PDB 6GSP . "Ribonuclease T1/3'-gmp, 15 Weeks" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 64 no PDB 6RNT . "Crystal Structure Of Ribonuclease T1 Complexed With Adenosine 2'-monophosphate At 1.8-angstroms Resolution" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 65 no PDB 7GSP . "Ribonuclease T12',3'-Cgps, Non-Productive" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 66 no PDB 7RNT . "Crystal Structure Of The Tyr45trp Mutant Of Ribonuclease T1 In A Complex With 2'-Adenylic Acid" . . . . . 100.00 104 99.04 100.00 1.48e-67 . . . . 15905 1 67 no PDB 8RNT . "Structure Of Ribonuclease T1 Complexed With Zinc(Ii) At 1.8 Angstroms Resolution: A Zn2+.6h2o.Carboxylate Clathrate" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 68 no PDB 9RNT . "Ribonuclease T1 With Free Recognition And Catalytic Site: Crystal Structure Analysis At 1.5 Angstroms Resolution" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 69 no DBJ BAA05707 . "ribonuclease T1 [Aspergillus oryzae]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 70 no DBJ BAA08407 . "ribonuclease T1 [Aspergillus oryzae]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 71 no DBJ BAE64671 . "unnamed protein product [Aspergillus oryzae RIB40]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 72 no EMBL CAA30560 . "unnamed protein product [Aspergillus oryzae]" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 15905 1 73 no GB AAA72541 . "RNase T1 [synthetic construct]" . . . . . 100.00 105 99.04 100.00 1.25e-67 . . . . 15905 1 74 no GB AAA72994 . "fusion gene containing ompA-signal peptide/RNase T1 [synthetic construct]" . . . . . 100.00 125 100.00 100.00 3.19e-69 . . . . 15905 1 75 no GB EED52238 . "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 76 no GB EIT74451 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae 3.042]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 77 no GB KDE77875 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae 100-8]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 78 no REF XP_001825804 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae RIB40]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 79 no REF XP_002377402 . "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 80 no SP P00651 . "RecName: Full=Guanyl-specific ribonuclease T1; Short=RNase T1; Flags: Precursor" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 15905 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'guanine-specific ssRNA cleavage' 15905 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 . ALA . 15905 1 2 . CYS . 15905 1 3 . ASP . 15905 1 4 . TYR . 15905 1 5 . THR . 15905 1 6 . CYS . 15905 1 7 . GLY . 15905 1 8 . SER . 15905 1 9 . ASN . 15905 1 10 . CYS . 15905 1 11 . TYR . 15905 1 12 . SER . 15905 1 13 . SER . 15905 1 14 . SER . 15905 1 15 . ASP . 15905 1 16 . VAL . 15905 1 17 . SER . 15905 1 18 . THR . 15905 1 19 . ALA . 15905 1 20 . GLN . 15905 1 21 . ALA . 15905 1 22 . ALA . 15905 1 23 . GLY . 15905 1 24 . TYR . 15905 1 25 . LYS . 15905 1 26 . LEU . 15905 1 27 . HIS . 15905 1 28 . GLU . 15905 1 29 . ASP . 15905 1 30 . GLY . 15905 1 31 . GLU . 15905 1 32 . THR . 15905 1 33 . VAL . 15905 1 34 . GLY . 15905 1 35 . SER . 15905 1 36 . ASN . 15905 1 37 . SER . 15905 1 38 . TYR . 15905 1 39 . PRO . 15905 1 40 . HIS . 15905 1 41 . LYS . 15905 1 42 . TYR . 15905 1 43 . ASN . 15905 1 44 . ASN . 15905 1 45 . TYR . 15905 1 46 . GLU . 15905 1 47 . GLY . 15905 1 48 . PHE . 15905 1 49 . ASP . 15905 1 50 . PHE . 15905 1 51 . SER . 15905 1 52 . VAL . 15905 1 53 . SER . 15905 1 54 . SER . 15905 1 55 . PRO . 15905 1 56 . TYR . 15905 1 57 . TYR . 15905 1 58 . GLU . 15905 1 59 . TRP . 15905 1 60 . PRO . 15905 1 61 . ILE . 15905 1 62 . LEU . 15905 1 63 . SER . 15905 1 64 . SER . 15905 1 65 . GLY . 15905 1 66 . ASP . 15905 1 67 . VAL . 15905 1 68 . TYR . 15905 1 69 . SER . 15905 1 70 . GLY . 15905 1 71 . GLY . 15905 1 72 . SER . 15905 1 73 . PRO . 15905 1 74 . GLY . 15905 1 75 . ALA . 15905 1 76 . ASP . 15905 1 77 . ARG . 15905 1 78 . VAL . 15905 1 79 . VAL . 15905 1 80 . PHE . 15905 1 81 . ASN . 15905 1 82 . GLU . 15905 1 83 . ASN . 15905 1 84 . ASN . 15905 1 85 . GLN . 15905 1 86 . LEU . 15905 1 87 . ALA . 15905 1 88 . GLY . 15905 1 89 . VAL . 15905 1 90 . ILE . 15905 1 91 . THR . 15905 1 92 . HIS . 15905 1 93 . THR . 15905 1 94 . GLY . 15905 1 95 . ALA . 15905 1 96 . SER . 15905 1 97 . GLY . 15905 1 98 . ASN . 15905 1 99 . ASN . 15905 1 100 . PHE . 15905 1 101 . VAL . 15905 1 102 . GLU . 15905 1 103 . CYS . 15905 1 104 . THR . 15905 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 . ALA 1 1 15905 1 . CYS 2 2 15905 1 . ASP 3 3 15905 1 . TYR 4 4 15905 1 . THR 5 5 15905 1 . CYS 6 6 15905 1 . GLY 7 7 15905 1 . SER 8 8 15905 1 . ASN 9 9 15905 1 . CYS 10 10 15905 1 . TYR 11 11 15905 1 . SER 12 12 15905 1 . SER 13 13 15905 1 . SER 14 14 15905 1 . ASP 15 15 15905 1 . VAL 16 16 15905 1 . SER 17 17 15905 1 . THR 18 18 15905 1 . ALA 19 19 15905 1 . GLN 20 20 15905 1 . ALA 21 21 15905 1 . ALA 22 22 15905 1 . GLY 23 23 15905 1 . TYR 24 24 15905 1 . LYS 25 25 15905 1 . LEU 26 26 15905 1 . HIS 27 27 15905 1 . GLU 28 28 15905 1 . ASP 29 29 15905 1 . GLY 30 30 15905 1 . GLU 31 31 15905 1 . THR 32 32 15905 1 . VAL 33 33 15905 1 . GLY 34 34 15905 1 . SER 35 35 15905 1 . ASN 36 36 15905 1 . SER 37 37 15905 1 . TYR 38 38 15905 1 . PRO 39 39 15905 1 . HIS 40 40 15905 1 . LYS 41 41 15905 1 . TYR 42 42 15905 1 . ASN 43 43 15905 1 . ASN 44 44 15905 1 . TYR 45 45 15905 1 . GLU 46 46 15905 1 . GLY 47 47 15905 1 . PHE 48 48 15905 1 . ASP 49 49 15905 1 . PHE 50 50 15905 1 . SER 51 51 15905 1 . VAL 52 52 15905 1 . SER 53 53 15905 1 . SER 54 54 15905 1 . PRO 55 55 15905 1 . TYR 56 56 15905 1 . TYR 57 57 15905 1 . GLU 58 58 15905 1 . TRP 59 59 15905 1 . PRO 60 60 15905 1 . ILE 61 61 15905 1 . LEU 62 62 15905 1 . SER 63 63 15905 1 . SER 64 64 15905 1 . GLY 65 65 15905 1 . ASP 66 66 15905 1 . VAL 67 67 15905 1 . TYR 68 68 15905 1 . SER 69 69 15905 1 . GLY 70 70 15905 1 . GLY 71 71 15905 1 . SER 72 72 15905 1 . PRO 73 73 15905 1 . GLY 74 74 15905 1 . ALA 75 75 15905 1 . ASP 76 76 15905 1 . ARG 77 77 15905 1 . VAL 78 78 15905 1 . VAL 79 79 15905 1 . PHE 80 80 15905 1 . ASN 81 81 15905 1 . GLU 82 82 15905 1 . ASN 83 83 15905 1 . ASN 84 84 15905 1 . GLN 85 85 15905 1 . LEU 86 86 15905 1 . ALA 87 87 15905 1 . GLY 88 88 15905 1 . VAL 89 89 15905 1 . ILE 90 90 15905 1 . THR 91 91 15905 1 . HIS 92 92 15905 1 . THR 93 93 15905 1 . GLY 94 94 15905 1 . ALA 95 95 15905 1 . SER 96 96 15905 1 . GLY 97 97 15905 1 . ASN 98 98 15905 1 . ASN 99 99 15905 1 . PHE 100 100 15905 1 . VAL 101 101 15905 1 . GLU 102 102 15905 1 . CYS 103 103 15905 1 . THR 104 104 15905 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 15905 _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 $RNase_T1 . 5062 organism . 'Aspergillus oryzae' 'Aspergillus oryzae' . . Eukaryota Metazoa Aspergillus oryzae . . . . . . . . . . . . . . . . . . . . . 15905 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 15905 _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 $RNase_T1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DH5alpha . . . . . . . . . . . . . . . pA2T1 . . . . . . 15905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_doubly_labeled _Sample.Sf_category sample _Sample.Sf_framecode doubly_labeled _Sample.Entry_ID 15905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNase_T1 '[U-95% 13C; U-95% 15N]' . . 1 $RNase_T1 . . 2 . . mM . . . . 15905 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 15905 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15905 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 15905 _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 5.5 . pH 15905 1 pressure 1 . atm 15905 1 temperature 308 . K 15905 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15905 _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' . . 15905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15905 1 processing 15905 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 15905 _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 15905 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 15905 2 'data analysis' 15905 2 'multiplet simulation' 15905 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 15905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15905 _NMR_spectrometer.ID 2 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15905 _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 15905 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15905 _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 DRX . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 15905 1 2 spectrometer_2 Bruker Avance . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 15905 1 3 spectrometer_3 Bruker Avance . 600 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 15905 1 4 spectrometer_4 Bruker Avance . 800 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 15905 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 15905 _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 [15N,1H]-TROSY-HNCO' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15905 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15905 1 3 '3D Cb-coupled [15N,1H]-TROSY-HN(CO)CA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15905 1 4 '3D Ca-coupled HA(CACO)NH' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15905 1 5 '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15905 1 6 '3D Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15905 1 7 '3D 1Ha-13Ca multiple-quantum HCAN quantitative J correlation' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15905 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 15905 _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 500 _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 [15N,1H]-TROSY-HNCO' . . . 15905 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 2 2 CYS CA C 13 . . 1 1 2 2 CYS C C 13 . 52.26 . . 0.50 . . . 2 CYS CA . 2 CYS C . 15905 1 2 1JCACO . 1 1 3 3 ASP CA C 13 . . 1 1 3 3 ASP C C 13 . 53.32 . . 0.50 . . . 3 ASP CA . 3 ASP C . 15905 1 3 1JCACO . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR C C 13 . 52.82 . . 0.50 . . . 4 TYR CA . 4 TYR C . 15905 1 4 1JCACO . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR C C 13 . 52.30 . . 0.50 . . . 5 THR CA . 5 THR C . 15905 1 5 1JCACO . 1 1 6 6 CYS CA C 13 . . 1 1 6 6 CYS C C 13 . 51.58 . . 0.50 . . . 6 CYS CA . 6 CYS C . 15905 1 6 1JCACO . 1 1 7 7 GLY CA C 13 . . 1 1 7 7 GLY C C 13 . 52.99 . . 0.50 . . . 7 GLY CA . 7 GLY C . 15905 1 7 1JCACO . 1 1 8 8 SER CA C 13 . . 1 1 8 8 SER C C 13 . 51.95 . . 0.50 . . . 8 SER CA . 8 SER C . 15905 1 8 1JCACO . 1 1 9 9 ASN CA C 13 . . 1 1 9 9 ASN C C 13 . 53.65 . . 0.50 . . . 9 ASN CA . 9 ASN C . 15905 1 9 1JCACO . 1 1 10 10 CYS CA C 13 . . 1 1 10 10 CYS C C 13 . 54.52 . . 0.50 . . . 10 CYS CA . 10 CYS C . 15905 1 10 1JCACO . 1 1 11 11 TYR CA C 13 . . 1 1 11 11 TYR C C 13 . 52.72 . . 0.50 . . . 11 TYR CA . 11 TYR C . 15905 1 11 1JCACO . 1 1 12 12 SER CA C 13 . . 1 1 12 12 SER C C 13 . 50.90 . . 0.50 . . . 12 SER CA . 12 SER C . 15905 1 12 1JCACO . 1 1 13 13 SER CA C 13 . . 1 1 13 13 SER C C 13 . 50.48 . . 0.50 . . . 13 SER CA . 13 SER C . 15905 1 13 1JCACO . 1 1 14 14 SER CA C 13 . . 1 1 14 14 SER C C 13 . 50.24 . . 0.50 . . . 14 SER CA . 14 SER C . 15905 1 14 1JCACO . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP C C 13 . 51.74 . . 0.50 . . . 15 ASP CA . 15 ASP C . 15905 1 15 1JCACO . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL C C 13 . 53.47 . . 0.50 . . . 16 VAL CA . 16 VAL C . 15905 1 16 1JCACO . 1 1 17 17 SER CA C 13 . . 1 1 17 17 SER C C 13 . 50.56 . . 0.50 . . . 17 SER CA . 17 SER C . 15905 1 17 1JCACO . 1 1 18 18 THR CA C 13 . . 1 1 18 18 THR C C 13 . 51.37 . . 0.50 . . . 18 THR CA . 18 THR C . 15905 1 18 1JCACO . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA C C 13 . 52.57 . . 0.50 . . . 19 ALA CA . 19 ALA C . 15905 1 19 1JCACO . 1 1 20 20 GLN CA C 13 . . 1 1 20 20 GLN C C 13 . 52.90 . . 0.50 . . . 20 GLN CA . 20 GLN C . 15905 1 20 1JCACO . 1 1 21 21 ALA CA C 13 . . 1 1 21 21 ALA C C 13 . 52.53 . . 0.50 . . . 21 ALA CA . 21 ALA C . 15905 1 21 1JCACO . 1 1 22 22 ALA CA C 13 . . 1 1 22 22 ALA C C 13 . 52.51 . . 0.50 . . . 22 ALA CA . 22 ALA C . 15905 1 22 1JCACO . 1 1 23 23 GLY CA C 13 . . 1 1 23 23 GLY C C 13 . 52.85 . . 0.50 . . . 23 GLY CA . 23 GLY C . 15905 1 23 1JCACO . 1 1 24 24 TYR CA C 13 . . 1 1 24 24 TYR C C 13 . 53.34 . . 0.50 . . . 24 TYR CA . 24 TYR C . 15905 1 24 1JCACO . 1 1 25 25 LYS CA C 13 . . 1 1 25 25 LYS C C 13 . 52.83 . . 0.50 . . . 25 LYS CA . 25 LYS C . 15905 1 25 1JCACO . 1 1 26 26 LEU CA C 13 . . 1 1 26 26 LEU C C 13 . 52.92 . . 0.50 . . . 26 LEU CA . 26 LEU C . 15905 1 26 1JCACO . 1 1 27 27 HIS CA C 13 . . 1 1 27 27 HIS C C 13 . 52.11 . . 0.50 . . . 27 HIS CA . 27 HIS C . 15905 1 27 1JCACO . 1 1 28 28 GLU CA C 13 . . 1 1 28 28 GLU C C 13 . 52.60 . . 0.50 . . . 28 GLU CA . 28 GLU C . 15905 1 28 1JCACO . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP C C 13 . 52.91 . . 0.50 . . . 29 ASP CA . 29 ASP C . 15905 1 29 1JCACO . 1 1 30 30 GLY CA C 13 . . 1 1 30 30 GLY C C 13 . 52.42 . . 0.50 . . . 30 GLY CA . 30 GLY C . 15905 1 30 1JCACO . 1 1 31 31 GLU CA C 13 . . 1 1 31 31 GLU C C 13 . 52.49 . . 0.50 . . . 31 GLU CA . 31 GLU C . 15905 1 31 1JCACO . 1 1 32 32 THR CA C 13 . . 1 1 32 32 THR C C 13 . 52.63 . . 0.50 . . . 32 THR CA . 32 THR C . 15905 1 32 1JCACO . 1 1 33 33 VAL CA C 13 . . 1 1 33 33 VAL C C 13 . 52.66 . . 0.50 . . . 33 VAL CA . 33 VAL C . 15905 1 33 1JCACO . 1 1 36 36 ASN CA C 13 . . 1 1 36 36 ASN C C 13 . 52.43 . . 0.50 . . . 36 ASN CA . 36 ASN C . 15905 1 34 1JCACO . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER C C 13 . 52.11 . . 0.50 . . . 37 SER CA . 37 SER C . 15905 1 35 1JCACO . 1 1 39 39 PRO CA C 13 . . 1 1 39 39 PRO C C 13 . 52.33 . . 0.50 . . . 39 PRO CA . 39 PRO C . 15905 1 36 1JCACO . 1 1 41 41 LYS CA C 13 . . 1 1 41 41 LYS C C 13 . 52.51 . . 0.50 . . . 41 LYS CA . 41 LYS C . 15905 1 37 1JCACO . 1 1 42 42 TYR CA C 13 . . 1 1 42 42 TYR C C 13 . 54.17 . . 0.50 . . . 42 TYR CA . 42 TYR C . 15905 1 38 1JCACO . 1 1 43 43 ASN CA C 13 . . 1 1 43 43 ASN C C 13 . 53.40 . . 0.50 . . . 43 ASN CA . 43 ASN C . 15905 1 39 1JCACO . 1 1 44 44 ASN CA C 13 . . 1 1 44 44 ASN C C 13 . 52.53 . . 0.50 . . . 44 ASN CA . 44 ASN C . 15905 1 40 1JCACO . 1 1 45 45 TYR CA C 13 . . 1 1 45 45 TYR C C 13 . 52.34 . . 0.50 . . . 45 TYR CA . 45 TYR C . 15905 1 41 1JCACO . 1 1 46 46 GLU CA C 13 . . 1 1 46 46 GLU C C 13 . 52.56 . . 0.50 . . . 46 GLU CA . 46 GLU C . 15905 1 42 1JCACO . 1 1 47 47 GLY CA C 13 . . 1 1 47 47 GLY C C 13 . 52.94 . . 0.50 . . . 47 GLY CA . 47 GLY C . 15905 1 43 1JCACO . 1 1 48 48 PHE CA C 13 . . 1 1 48 48 PHE C C 13 . 51.74 . . 0.50 . . . 48 PHE CA . 48 PHE C . 15905 1 44 1JCACO . 1 1 49 49 ASP CA C 13 . . 1 1 49 49 ASP C C 13 . 53.17 . . 0.50 . . . 49 ASP CA . 49 ASP C . 15905 1 45 1JCACO . 1 1 50 50 PHE CA C 13 . . 1 1 50 50 PHE C C 13 . 52.51 . . 0.50 . . . 50 PHE CA . 50 PHE C . 15905 1 46 1JCACO . 1 1 51 51 SER CA C 13 . . 1 1 51 51 SER C C 13 . 52.80 . . 0.50 . . . 51 SER CA . 51 SER C . 15905 1 47 1JCACO . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL C C 13 . 51.38 . . 0.50 . . . 52 VAL CA . 52 VAL C . 15905 1 48 1JCACO . 1 1 53 53 SER CA C 13 . . 1 1 53 53 SER C C 13 . 51.86 . . 0.50 . . . 53 SER CA . 53 SER C . 15905 1 49 1JCACO . 1 1 55 55 PRO CA C 13 . . 1 1 55 55 PRO C C 13 . 52.47 . . 0.50 . . . 55 PRO CA . 55 PRO C . 15905 1 50 1JCACO . 1 1 56 56 TYR CA C 13 . . 1 1 56 56 TYR C C 13 . 52.37 . . 0.50 . . . 56 TYR CA . 56 TYR C . 15905 1 51 1JCACO . 1 1 57 57 TYR CA C 13 . . 1 1 57 57 TYR C C 13 . 52.74 . . 0.50 . . . 57 TYR CA . 57 TYR C . 15905 1 52 1JCACO . 1 1 58 58 GLU CA C 13 . . 1 1 58 58 GLU C C 13 . 51.85 . . 0.50 . . . 58 GLU CA . 58 GLU C . 15905 1 53 1JCACO . 1 1 60 60 PRO CA C 13 . . 1 1 60 60 PRO C C 13 . 55.37 . . 0.50 . . . 60 PRO CA . 60 PRO C . 15905 1 54 1JCACO . 1 1 61 61 ILE CA C 13 . . 1 1 61 61 ILE C C 13 . 51.87 . . 0.50 . . . 61 ILE CA . 61 ILE C . 15905 1 55 1JCACO . 1 1 62 62 LEU CA C 13 . . 1 1 62 62 LEU C C 13 . 53.64 . . 0.50 . . . 62 LEU CA . 62 LEU C . 15905 1 56 1JCACO . 1 1 63 63 SER CA C 13 . . 1 1 63 63 SER C C 13 . 52.30 . . 0.50 . . . 63 SER CA . 63 SER C . 15905 1 57 1JCACO . 1 1 64 64 SER CA C 13 . . 1 1 64 64 SER C C 13 . 52.87 . . 0.50 . . . 64 SER CA . 64 SER C . 15905 1 58 1JCACO . 1 1 65 65 GLY CA C 13 . . 1 1 65 65 GLY C C 13 . 51.99 . . 0.50 . . . 65 GLY CA . 65 GLY C . 15905 1 59 1JCACO . 1 1 66 66 ASP CA C 13 . . 1 1 66 66 ASP C C 13 . 51.75 . . 0.50 . . . 66 ASP CA . 66 ASP C . 15905 1 60 1JCACO . 1 1 67 67 VAL CA C 13 . . 1 1 67 67 VAL C C 13 . 51.90 . . 0.50 . . . 67 VAL CA . 67 VAL C . 15905 1 61 1JCACO . 1 1 68 68 TYR CA C 13 . . 1 1 68 68 TYR C C 13 . 54.45 . . 0.50 . . . 68 TYR CA . 68 TYR C . 15905 1 62 1JCACO . 1 1 73 73 PRO CA C 13 . . 1 1 73 73 PRO C C 13 . 54.06 . . 0.50 . . . 73 PRO CA . 73 PRO C . 15905 1 63 1JCACO . 1 1 74 74 GLY CA C 13 . . 1 1 74 74 GLY C C 13 . 50.59 . . 0.50 . . . 74 GLY CA . 74 GLY C . 15905 1 64 1JCACO . 1 1 75 75 ALA CA C 13 . . 1 1 75 75 ALA C C 13 . 53.84 . . 0.50 . . . 75 ALA CA . 75 ALA C . 15905 1 65 1JCACO . 1 1 76 76 ASP CA C 13 . . 1 1 76 76 ASP C C 13 . 53.67 . . 0.50 . . . 76 ASP CA . 76 ASP C . 15905 1 66 1JCACO . 1 1 77 77 ARG CA C 13 . . 1 1 77 77 ARG C C 13 . 53.60 . . 0.50 . . . 77 ARG CA . 77 ARG C . 15905 1 67 1JCACO . 1 1 78 78 VAL CA C 13 . . 1 1 78 78 VAL C C 13 . 51.01 . . 0.50 . . . 78 VAL CA . 78 VAL C . 15905 1 68 1JCACO . 1 1 79 79 VAL CA C 13 . . 1 1 79 79 VAL C C 13 . 52.84 . . 0.50 . . . 79 VAL CA . 79 VAL C . 15905 1 69 1JCACO . 1 1 80 80 PHE CA C 13 . . 1 1 80 80 PHE C C 13 . 52.41 . . 0.50 . . . 80 PHE CA . 80 PHE C . 15905 1 70 1JCACO . 1 1 81 81 ASN CA C 13 . . 1 1 81 81 ASN C C 13 . 53.18 . . 0.50 . . . 81 ASN CA . 81 ASN C . 15905 1 71 1JCACO . 1 1 82 82 GLU CA C 13 . . 1 1 82 82 GLU C C 13 . 53.31 . . 0.50 . . . 82 GLU CA . 82 GLU C . 15905 1 72 1JCACO . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN C C 13 . 52.22 . . 0.50 . . . 83 ASN CA . 83 ASN C . 15905 1 73 1JCACO . 1 1 84 84 ASN CA C 13 . . 1 1 84 84 ASN C C 13 . 52.15 . . 0.50 . . . 84 ASN CA . 84 ASN C . 15905 1 74 1JCACO . 1 1 85 85 GLN CA C 13 . . 1 1 85 85 GLN C C 13 . 51.89 . . 0.50 . . . 85 GLN CA . 85 GLN C . 15905 1 75 1JCACO . 1 1 86 86 LEU CA C 13 . . 1 1 86 86 LEU C C 13 . 52.25 . . 0.50 . . . 86 LEU CA . 86 LEU C . 15905 1 76 1JCACO . 1 1 87 87 ALA CA C 13 . . 1 1 87 87 ALA C C 13 . 52.92 . . 0.50 . . . 87 ALA CA . 87 ALA C . 15905 1 77 1JCACO . 1 1 88 88 GLY CA C 13 . . 1 1 88 88 GLY C C 13 . 51.95 . . 0.50 . . . 88 GLY CA . 88 GLY C . 15905 1 78 1JCACO . 1 1 89 89 VAL CA C 13 . . 1 1 89 89 VAL C C 13 . 53.54 . . 0.50 . . . 89 VAL CA . 89 VAL C . 15905 1 79 1JCACO . 1 1 90 90 ILE CA C 13 . . 1 1 90 90 ILE C C 13 . 52.59 . . 0.50 . . . 90 ILE CA . 90 ILE C . 15905 1 80 1JCACO . 1 1 91 91 THR CA C 13 . . 1 1 91 91 THR C C 13 . 52.86 . . 0.50 . . . 91 THR CA . 91 THR C . 15905 1 81 1JCACO . 1 1 92 92 HIS CA C 13 . . 1 1 92 92 HIS C C 13 . 52.57 . . 0.50 . . . 92 HIS CA . 92 HIS C . 15905 1 82 1JCACO . 1 1 93 93 THR CA C 13 . . 1 1 93 93 THR C C 13 . 52.45 . . 0.50 . . . 93 THR CA . 93 THR C . 15905 1 83 1JCACO . 1 1 94 94 GLY CA C 13 . . 1 1 94 94 GLY C C 13 . 52.12 . . 0.50 . . . 94 GLY CA . 94 GLY C . 15905 1 84 1JCACO . 1 1 95 95 ALA CA C 13 . . 1 1 95 95 ALA C C 13 . 51.81 . . 0.50 . . . 95 ALA CA . 95 ALA C . 15905 1 85 1JCACO . 1 1 96 96 SER CA C 13 . . 1 1 96 96 SER C C 13 . 52.10 . . 0.50 . . . 96 SER CA . 96 SER C . 15905 1 86 1JCACO . 1 1 98 98 ASN CA C 13 . . 1 1 98 98 ASN C C 13 . 52.55 . . 0.50 . . . 98 ASN CA . 98 ASN C . 15905 1 87 1JCACO . 1 1 99 99 ASN CA C 13 . . 1 1 99 99 ASN C C 13 . 51.74 . . 0.50 . . . 99 ASN CA . 99 ASN C . 15905 1 88 1JCACO . 1 1 100 100 PHE CA C 13 . . 1 1 100 100 PHE C C 13 . 52.30 . . 0.50 . . . 100 PHE CA . 100 PHE C . 15905 1 89 1JCACO . 1 1 101 101 VAL CA C 13 . . 1 1 101 101 VAL C C 13 . 50.91 . . 0.50 . . . 101 VAL CA . 101 VAL C . 15905 1 90 1JCACO . 1 1 102 102 GLU CA C 13 . . 1 1 102 102 GLU C C 13 . 51.13 . . 0.50 . . . 102 GLU CA . 102 GLU C . 15905 1 91 1JCACO . 1 1 103 103 CYS CA C 13 . . 1 1 103 103 CYS C C 13 . 50.33 . . 0.50 . . . 103 CYS CA . 103 CYS C . 15905 1 stop_ save_ save_1JCaN_ _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaN_ _Coupling_constant_list.Entry_ID 15905 _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' . . . 15905 2 7 '3D 1Ha-13Ca multiple-quantum HCAN quantitative J correlation' . . . 15905 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 ASP CA C 13 . . 1 1 3 3 ASP N N 15 . 9.22 . . 0.50 . . . 3 ASP CA . 3 ASP N . 15905 2 2 1JCAN . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR N N 15 . 11.53 . . 0.50 . . . 4 TYR CA . 4 TYR N . 15905 2 3 1JCAN . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR N N 15 . 10.19 . . 0.50 . . . 5 THR CA . 5 THR N . 15905 2 4 1JCAN . 1 1 6 6 CYS CA C 13 . . 1 1 6 6 CYS N N 15 . 10.01 . . 0.50 . . . 6 CYS CA . 6 CYS N . 15905 2 5 1JCAN . 1 1 7 7 GLY CA C 13 . . 1 1 7 7 GLY N N 15 . 10.01 . . 0.50 . . . 7 GLY CA . 7 GLY N . 15905 2 6 1JCAN . 1 1 8 8 SER CA C 13 . . 1 1 8 8 SER N N 15 . 10.13 . . 0.50 . . . 8 SER CA . 8 SER N . 15905 2 7 1JCAN . 1 1 9 9 ASN CA C 13 . . 1 1 9 9 ASN N N 15 . 11.09 . . 0.50 . . . 9 ASN CA . 9 ASN N . 15905 2 8 1JCAN . 1 1 10 10 CYS CA C 13 . . 1 1 10 10 CYS N N 15 . 9.98 . . 0.50 . . . 10 CYS CA . 10 CYS N . 15905 2 9 1JCAN . 1 1 11 11 TYR CA C 13 . . 1 1 11 11 TYR N N 15 . 11.34 . . 0.50 . . . 11 TYR CA . 11 TYR N . 15905 2 10 1JCAN . 1 1 12 12 SER CA C 13 . . 1 1 12 12 SER N N 15 . 11.88 . . 0.50 . . . 12 SER CA . 12 SER N . 15905 2 11 1JCAN . 1 1 13 13 SER CA C 13 . . 1 1 13 13 SER N N 15 . 8.67 . . 0.50 . . . 13 SER CA . 13 SER N . 15905 2 12 1JCAN . 1 1 14 14 SER CA C 13 . . 1 1 14 14 SER N N 15 . 9.55 . . 0.50 . . . 14 SER CA . 14 SER N . 15905 2 13 1JCAN . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP N N 15 . 9.52 . . 0.50 . . . 15 ASP CA . 15 ASP N . 15905 2 14 1JCAN . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL N N 15 . 9.36 . . 0.50 . . . 16 VAL CA . 16 VAL N . 15905 2 15 1JCAN . 1 1 17 17 SER CA C 13 . . 1 1 17 17 SER N N 15 . 9.13 . . 0.50 . . . 17 SER CA . 17 SER N . 15905 2 16 1JCAN . 1 1 18 18 THR CA C 13 . . 1 1 18 18 THR N N 15 . 9.94 . . 0.50 . . . 18 THR CA . 18 THR N . 15905 2 17 1JCAN . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA N N 15 . 9.34 . . 0.50 . . . 19 ALA CA . 19 ALA N . 15905 2 18 1JCAN . 1 1 20 20 GLN CA C 13 . . 1 1 20 20 GLN N N 15 . 9.60 . . 0.50 . . . 20 GLN CA . 20 GLN N . 15905 2 19 1JCAN . 1 1 21 21 ALA CA C 13 . . 1 1 21 21 ALA N N 15 . 9.64 . . 0.50 . . . 21 ALA CA . 21 ALA N . 15905 2 20 1JCAN . 1 1 22 22 ALA CA C 13 . . 1 1 22 22 ALA N N 15 . 9.47 . . 0.50 . . . 22 ALA CA . 22 ALA N . 15905 2 21 1JCAN . 1 1 23 23 GLY CA C 13 . . 1 1 23 23 GLY N N 15 . 10.29 . . 0.50 . . . 23 GLY CA . 23 GLY N . 15905 2 22 1JCAN . 1 1 24 24 TYR CA C 13 . . 1 1 24 24 TYR N N 15 . 9.44 . . 0.50 . . . 24 TYR CA . 24 TYR N . 15905 2 23 1JCAN . 1 1 25 25 LYS CA C 13 . . 1 1 25 25 LYS N N 15 . 9.40 . . 0.50 . . . 25 LYS CA . 25 LYS N . 15905 2 24 1JCAN . 1 1 26 26 LEU CA C 13 . . 1 1 26 26 LEU N N 15 . 9.39 . . 0.50 . . . 26 LEU CA . 26 LEU N . 15905 2 25 1JCAN . 1 1 27 27 HIS CA C 13 . . 1 1 27 27 HIS N N 15 . 9.98 . . 0.50 . . . 27 HIS CA . 27 HIS N . 15905 2 26 1JCAN . 1 1 28 28 GLU CA C 13 . . 1 1 28 28 GLU N N 15 . 9.47 . . 0.50 . . . 28 GLU CA . 28 GLU N . 15905 2 27 1JCAN . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP N N 15 . 10.22 . . 0.50 . . . 29 ASP CA . 29 ASP N . 15905 2 28 1JCAN . 1 1 30 30 GLY CA C 13 . . 1 1 30 30 GLY N N 15 . 10.44 . . 0.50 . . . 30 GLY CA . 30 GLY N . 15905 2 29 1JCAN . 1 1 31 31 GLU CA C 13 . . 1 1 31 31 GLU N N 15 . 11.89 . . 0.50 . . . 31 GLU CA . 31 GLU N . 15905 2 30 1JCAN . 1 1 32 32 THR CA C 13 . . 1 1 32 32 THR N N 15 . 12.71 . . 0.50 . . . 32 THR CA . 32 THR N . 15905 2 31 1JCAN . 1 1 33 33 VAL CA C 13 . . 1 1 33 33 VAL N N 15 . 11.67 . . 0.50 . . . 33 VAL CA . 33 VAL N . 15905 2 32 1JCAN . 1 1 34 34 GLY CA C 13 . . 1 1 34 34 GLY N N 15 . 12.38 . . 0.50 . . . 34 GLY CA . 34 GLY N . 15905 2 33 1JCAN . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER N N 15 . 9.31 . . 0.50 . . . 37 SER CA . 37 SER N . 15905 2 34 1JCAN . 1 1 38 38 TYR CA C 13 . . 1 1 38 38 TYR N N 15 . 11.73 . . 0.50 . . . 38 TYR CA . 38 TYR N . 15905 2 35 1JCAN . 1 1 39 39 PRO CA C 13 . . 1 1 39 39 PRO N N 15 . 11.58 . . 0.50 . . . 39 PRO CA . 39 PRO N . 15905 2 36 1JCAN . 1 1 40 40 HIS CA C 13 . . 1 1 40 40 HIS N N 15 . 12.48 . . 0.50 . . . 40 HIS CA . 40 HIS N . 15905 2 37 1JCAN . 1 1 41 41 LYS CA C 13 . . 1 1 41 41 LYS N N 15 . 11.26 . . 0.50 . . . 41 LYS CA . 41 LYS N . 15905 2 38 1JCAN . 1 1 42 42 TYR CA C 13 . . 1 1 42 42 TYR N N 15 . 10.06 . . 0.50 . . . 42 TYR CA . 42 TYR N . 15905 2 39 1JCAN . 1 1 43 43 ASN CA C 13 . . 1 1 43 43 ASN N N 15 . 9.46 . . 0.50 . . . 43 ASN CA . 43 ASN N . 15905 2 40 1JCAN . 1 1 44 44 ASN CA C 13 . . 1 1 44 44 ASN N N 15 . 10.43 . . 0.50 . . . 44 ASN CA . 44 ASN N . 15905 2 41 1JCAN . 1 1 45 45 TYR CA C 13 . . 1 1 45 45 TYR N N 15 . 9.91 . . 0.50 . . . 45 TYR CA . 45 TYR N . 15905 2 42 1JCAN . 1 1 46 46 GLU CA C 13 . . 1 1 46 46 GLU N N 15 . 9.15 . . 0.50 . . . 46 GLU CA . 46 GLU N . 15905 2 43 1JCAN . 1 1 47 47 GLY CA C 13 . . 1 1 47 47 GLY N N 15 . 10.49 . . 0.50 . . . 47 GLY CA . 47 GLY N . 15905 2 44 1JCAN . 1 1 48 48 PHE CA C 13 . . 1 1 48 48 PHE N N 15 . 11.34 . . 0.50 . . . 48 PHE CA . 48 PHE N . 15905 2 45 1JCAN . 1 1 49 49 ASP CA C 13 . . 1 1 49 49 ASP N N 15 . 9.41 . . 0.50 . . . 49 ASP CA . 49 ASP N . 15905 2 46 1JCAN . 1 1 50 50 PHE CA C 13 . . 1 1 50 50 PHE N N 15 . 11.56 . . 0.50 . . . 50 PHE CA . 50 PHE N . 15905 2 47 1JCAN . 1 1 51 51 SER CA C 13 . . 1 1 51 51 SER N N 15 . 9.94 . . 0.50 . . . 51 SER CA . 51 SER N . 15905 2 48 1JCAN . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL N N 15 . 11.92 . . 0.50 . . . 52 VAL CA . 52 VAL N . 15905 2 49 1JCAN . 1 1 53 53 SER CA C 13 . . 1 1 53 53 SER N N 15 . 11.97 . . 0.50 . . . 53 SER CA . 53 SER N . 15905 2 50 1JCAN . 1 1 54 54 SER CA C 13 . . 1 1 54 54 SER N N 15 . 12.12 . . 0.50 . . . 54 SER CA . 54 SER N . 15905 2 51 1JCAN . 1 1 55 55 PRO CA C 13 . . 1 1 55 55 PRO N N 15 . 12.60 . . 0.50 . . . 55 PRO CA . 55 PRO N . 15905 2 52 1JCAN . 1 1 56 56 TYR CA C 13 . . 1 1 56 56 TYR N N 15 . 12.32 . . 0.50 . . . 56 TYR CA . 56 TYR N . 15905 2 53 1JCAN . 1 1 57 57 TYR CA C 13 . . 1 1 57 57 TYR N N 15 . 11.53 . . 0.50 . . . 57 TYR CA . 57 TYR N . 15905 2 54 1JCAN . 1 1 58 58 GLU CA C 13 . . 1 1 58 58 GLU N N 15 . 11.02 . . 0.50 . . . 58 GLU CA . 58 GLU N . 15905 2 55 1JCAN . 1 1 59 59 TRP CA C 13 . . 1 1 59 59 TRP N N 15 . 10.21 . . 0.50 . . . 59 TRP CA . 59 TRP N . 15905 2 56 1JCAN . 1 1 60 60 PRO CA C 13 . . 1 1 60 60 PRO N N 15 . 10.69 . . 0.50 . . . 60 PRO CA . 60 PRO N . 15905 2 57 1JCAN . 1 1 61 61 ILE CA C 13 . . 1 1 61 61 ILE N N 15 . 10.90 . . 0.50 . . . 61 ILE CA . 61 ILE N . 15905 2 58 1JCAN . 1 1 62 62 LEU CA C 13 . . 1 1 62 62 LEU N N 15 . 10.89 . . 0.50 . . . 62 LEU CA . 62 LEU N . 15905 2 59 1JCAN . 1 1 63 63 SER CA C 13 . . 1 1 63 63 SER N N 15 . 9.88 . . 0.50 . . . 63 SER CA . 63 SER N . 15905 2 60 1JCAN . 1 1 64 64 SER CA C 13 . . 1 1 64 64 SER N N 15 . 10.30 . . 0.50 . . . 64 SER CA . 64 SER N . 15905 2 61 1JCAN . 1 1 65 65 GLY CA C 13 . . 1 1 65 65 GLY N N 15 . 10.22 . . 0.50 . . . 65 GLY CA . 65 GLY N . 15905 2 62 1JCAN . 1 1 66 66 ASP CA C 13 . . 1 1 66 66 ASP N N 15 . 11.88 . . 0.50 . . . 66 ASP CA . 66 ASP N . 15905 2 63 1JCAN . 1 1 67 67 VAL CA C 13 . . 1 1 67 67 VAL N N 15 . 11.04 . . 0.50 . . . 67 VAL CA . 67 VAL N . 15905 2 64 1JCAN . 1 1 68 68 TYR CA C 13 . . 1 1 68 68 TYR N N 15 . 10.89 . . 0.50 . . . 68 TYR CA . 68 TYR N . 15905 2 65 1JCAN . 1 1 69 69 SER CA C 13 . . 1 1 69 69 SER N N 15 . 9.87 . . 0.50 . . . 69 SER CA . 69 SER N . 15905 2 66 1JCAN . 1 1 71 71 GLY CA C 13 . . 1 1 71 71 GLY N N 15 . 12.49 . . 0.50 . . . 71 GLY CA . 71 GLY N . 15905 2 67 1JCAN . 1 1 73 73 PRO CA C 13 . . 1 1 73 73 PRO N N 15 . 9.72 . . 0.50 . . . 73 PRO CA . 73 PRO N . 15905 2 68 1JCAN . 1 1 74 74 GLY CA C 13 . . 1 1 74 74 GLY N N 15 . 12.54 . . 0.50 . . . 74 GLY CA . 74 GLY N . 15905 2 69 1JCAN . 1 1 75 75 ALA CA C 13 . . 1 1 75 75 ALA N N 15 . 9.48 . . 0.50 . . . 75 ALA CA . 75 ALA N . 15905 2 70 1JCAN . 1 1 76 76 ASP CA C 13 . . 1 1 76 76 ASP N N 15 . 11.77 . . 0.50 . . . 76 ASP CA . 76 ASP N . 15905 2 71 1JCAN . 1 1 77 77 ARG CA C 13 . . 1 1 77 77 ARG N N 15 . 11.39 . . 0.50 . . . 77 ARG CA . 77 ARG N . 15905 2 72 1JCAN . 1 1 78 78 VAL CA C 13 . . 1 1 78 78 VAL N N 15 . 10.40 . . 0.50 . . . 78 VAL CA . 78 VAL N . 15905 2 73 1JCAN . 1 1 79 79 VAL CA C 13 . . 1 1 79 79 VAL N N 15 . 10.22 . . 0.50 . . . 79 VAL CA . 79 VAL N . 15905 2 74 1JCAN . 1 1 80 80 PHE CA C 13 . . 1 1 80 80 PHE N N 15 . 12.59 . . 0.50 . . . 80 PHE CA . 80 PHE N . 15905 2 75 1JCAN . 1 1 81 81 ASN CA C 13 . . 1 1 81 81 ASN N N 15 . 13.21 . . 0.50 . . . 81 ASN CA . 81 ASN N . 15905 2 76 1JCAN . 1 1 82 82 GLU CA C 13 . . 1 1 82 82 GLU N N 15 . 9.69 . . 0.50 . . . 82 GLU CA . 82 GLU N . 15905 2 77 1JCAN . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN N N 15 . 10.14 . . 0.50 . . . 83 ASN CA . 83 ASN N . 15905 2 78 1JCAN . 1 1 84 84 ASN CA C 13 . . 1 1 84 84 ASN N N 15 . 10.33 . . 0.50 . . . 84 ASN CA . 84 ASN N . 15905 2 79 1JCAN . 1 1 85 85 GLN CA C 13 . . 1 1 85 85 GLN N N 15 . 11.41 . . 0.50 . . . 85 GLN CA . 85 GLN N . 15905 2 80 1JCAN . 1 1 86 86 LEU CA C 13 . . 1 1 86 86 LEU N N 15 . 10.26 . . 0.50 . . . 86 LEU CA . 86 LEU N . 15905 2 81 1JCAN . 1 1 87 87 ALA CA C 13 . . 1 1 87 87 ALA N N 15 . 8.96 . . 0.50 . . . 87 ALA CA . 87 ALA N . 15905 2 82 1JCAN . 1 1 88 88 GLY CA C 13 . . 1 1 88 88 GLY N N 15 . 13.70 . . 0.50 . . . 88 GLY CA . 88 GLY N . 15905 2 83 1JCAN . 1 1 89 89 VAL CA C 13 . . 1 1 89 89 VAL N N 15 . 10.49 . . 0.50 . . . 89 VAL CA . 89 VAL N . 15905 2 84 1JCAN . 1 1 90 90 ILE CA C 13 . . 1 1 90 90 ILE N N 15 . 11.79 . . 0.50 . . . 90 ILE CA . 90 ILE N . 15905 2 85 1JCAN . 1 1 91 91 THR CA C 13 . . 1 1 91 91 THR N N 15 . 11.80 . . 0.50 . . . 91 THR CA . 91 THR N . 15905 2 86 1JCAN . 1 1 92 92 HIS CA C 13 . . 1 1 92 92 HIS N N 15 . 10.15 . . 0.50 . . . 92 HIS CA . 92 HIS N . 15905 2 87 1JCAN . 1 1 93 93 THR CA C 13 . . 1 1 93 93 THR N N 15 . 10.99 . . 0.50 . . . 93 THR CA . 93 THR N . 15905 2 88 1JCAN . 1 1 94 94 GLY CA C 13 . . 1 1 94 94 GLY N N 15 . 10.22 . . 0.50 . . . 94 GLY CA . 94 GLY N . 15905 2 89 1JCAN . 1 1 95 95 ALA CA C 13 . . 1 1 95 95 ALA N N 15 . 11.74 . . 0.50 . . . 95 ALA CA . 95 ALA N . 15905 2 90 1JCAN . 1 1 96 96 SER CA C 13 . . 1 1 96 96 SER N N 15 . 11.66 . . 0.50 . . . 96 SER CA . 96 SER N . 15905 2 91 1JCAN . 1 1 97 97 GLY CA C 13 . . 1 1 97 97 GLY N N 15 . 11.33 . . 0.50 . . . 97 GLY CA . 97 GLY N . 15905 2 92 1JCAN . 1 1 98 98 ASN CA C 13 . . 1 1 98 98 ASN N N 15 . 12.19 . . 0.50 . . . 98 ASN CA . 98 ASN N . 15905 2 93 1JCAN . 1 1 99 99 ASN CA C 13 . . 1 1 99 99 ASN N N 15 . 12.16 . . 0.50 . . . 99 ASN CA . 99 ASN N . 15905 2 94 1JCAN . 1 1 100 100 PHE CA C 13 . . 1 1 100 100 PHE N N 15 . 11.87 . . 0.50 . . . 100 PHE CA . 100 PHE N . 15905 2 95 1JCAN . 1 1 101 101 VAL CA C 13 . . 1 1 101 101 VAL N N 15 . 11.49 . . 0.50 . . . 101 VAL CA . 101 VAL N . 15905 2 96 1JCAN . 1 1 103 103 CYS CA C 13 . . 1 1 103 103 CYS N N 15 . 11.36 . . 0.50 . . . 103 CYS CA . 103 CYS N . 15905 2 97 1JCAN . 1 1 104 104 THR CA C 13 . . 1 1 104 104 THR N N 15 . 10.48 . . 0.50 . . . 104 THR CA . 104 THR N . 15905 2 stop_ save_ save_1JCaHa _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaHa _Coupling_constant_list.Entry_ID 15905 _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 experiments' _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 Ca-coupled HA(CACO)NH' . . . 15905 3 5 '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' . . . 15905 3 6 '3D Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CA' . . . 15905 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 ALA CA C 13 . . 1 1 1 1 ALA HA H 1 . 145.81 . . 0.50 . . . 1 ALA CA . 1 ALA HA . 15905 3 2 1JCAHA . 1 1 2 2 CYS CA C 13 . . 1 1 2 2 CYS HA H 1 . 145.29 . . 0.50 . . . 2 CYS CA . 2 CYS HA . 15905 3 3 1JCAHA . 1 1 3 3 ASP CA C 13 . . 1 1 3 3 ASP HA H 1 . 147.64 . . 0.50 . . . 3 ASP CA . 3 ASP HA . 15905 3 4 1JCAHA . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR HA H 1 . 145.03 . . 0.50 . . . 4 TYR CA . 4 TYR HA . 15905 3 5 1JCAHA . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR HA H 1 . 143.54 . . 0.50 . . . 5 THR CA . 5 THR HA . 15905 3 6 1JCAHA . 1 1 6 6 CYS CA C 13 . . 1 1 6 6 CYS HA H 1 . 142.84 . . 0.50 . . . 6 CYS CA . 6 CYS HA . 15905 3 7 1JCAHA . 1 1 8 8 SER CA C 13 . . 1 1 8 8 SER HA H 1 . 140.14 . . 0.50 . . . 8 SER CA . 8 SER HA . 15905 3 8 1JCAHA . 1 1 9 9 ASN CA C 13 . . 1 1 9 9 ASN HA H 1 . 145.15 . . 0.50 . . . 9 ASN CA . 9 ASN HA . 15905 3 9 1JCAHA . 1 1 10 10 CYS CA C 13 . . 1 1 10 10 CYS HA H 1 . 144.99 . . 0.50 . . . 10 CYS CA . 10 CYS HA . 15905 3 10 1JCAHA . 1 1 11 11 TYR CA C 13 . . 1 1 11 11 TYR HA H 1 . 143.04 . . 0.50 . . . 11 TYR CA . 11 TYR HA . 15905 3 11 1JCAHA . 1 1 12 12 SER CA C 13 . . 1 1 12 12 SER HA H 1 . 140.08 . . 0.50 . . . 12 SER CA . 12 SER HA . 15905 3 12 1JCAHA . 1 1 13 13 SER CA C 13 . . 1 1 13 13 SER HA H 1 . 141.96 . . 0.50 . . . 13 SER CA . 13 SER HA . 15905 3 13 1JCAHA . 1 1 14 14 SER CA C 13 . . 1 1 14 14 SER HA H 1 . 147.55 . . 0.50 . . . 14 SER CA . 14 SER HA . 15905 3 14 1JCAHA . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP HA H 1 . 151.12 . . 0.50 . . . 15 ASP CA . 15 ASP HA . 15905 3 15 1JCAHA . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL HA H 1 . 146.21 . . 0.50 . . . 16 VAL CA . 16 VAL HA . 15905 3 16 1JCAHA . 1 1 17 17 SER CA C 13 . . 1 1 17 17 SER HA H 1 . 145.69 . . 0.50 . . . 17 SER CA . 17 SER HA . 15905 3 17 1JCAHA . 1 1 18 18 THR CA C 13 . . 1 1 18 18 THR HA H 1 . 148.39 . . 0.50 . . . 18 THR CA . 18 THR HA . 15905 3 18 1JCAHA . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA HA H 1 . 149.08 . . 0.50 . . . 19 ALA CA . 19 ALA HA . 15905 3 19 1JCAHA . 1 1 20 20 GLN CA C 13 . . 1 1 20 20 GLN HA H 1 . 146.84 . . 0.50 . . . 20 GLN CA . 20 GLN HA . 15905 3 20 1JCAHA . 1 1 21 21 ALA CA C 13 . . 1 1 21 21 ALA HA H 1 . 148.80 . . 0.50 . . . 21 ALA CA . 21 ALA HA . 15905 3 21 1JCAHA . 1 1 22 22 ALA CA C 13 . . 1 1 22 22 ALA HA H 1 . 149.57 . . 0.50 . . . 22 ALA CA . 22 ALA HA . 15905 3 22 1JCAHA . 1 1 24 24 TYR CA C 13 . . 1 1 24 24 TYR HA H 1 . 146.88 . . 0.50 . . . 24 TYR CA . 24 TYR HA . 15905 3 23 1JCAHA . 1 1 25 25 LYS CA C 13 . . 1 1 25 25 LYS HA H 1 . 148.72 . . 0.50 . . . 25 LYS CA . 25 LYS HA . 15905 3 24 1JCAHA . 1 1 26 26 LEU CA C 13 . . 1 1 26 26 LEU HA H 1 . 147.45 . . 0.50 . . . 26 LEU CA . 26 LEU HA . 15905 3 25 1JCAHA . 1 1 27 27 HIS CA C 13 . . 1 1 27 27 HIS HA H 1 . 152.81 . . 0.50 . . . 27 HIS CA . 27 HIS HA . 15905 3 26 1JCAHA . 1 1 28 28 GLU CA C 13 . . 1 1 28 28 GLU HA H 1 . 147.81 . . 0.50 . . . 28 GLU CA . 28 GLU HA . 15905 3 27 1JCAHA . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP HA H 1 . 143.77 . . 0.50 . . . 29 ASP CA . 29 ASP HA . 15905 3 28 1JCAHA . 1 1 31 31 GLU CA C 13 . . 1 1 31 31 GLU HA H 1 . 140.44 . . 0.50 . . . 31 GLU CA . 31 GLU HA . 15905 3 29 1JCAHA . 1 1 32 32 THR CA C 13 . . 1 1 32 32 THR HA H 1 . 140.66 . . 0.50 . . . 32 THR CA . 32 THR HA . 15905 3 30 1JCAHA . 1 1 33 33 VAL CA C 13 . . 1 1 33 33 VAL HA H 1 . 139.19 . . 0.50 . . . 33 VAL CA . 33 VAL HA . 15905 3 31 1JCAHA . 1 1 36 36 ASN CA C 13 . . 1 1 36 36 ASN HA H 1 . 139.70 . . 0.50 . . . 36 ASN CA . 36 ASN HA . 15905 3 32 1JCAHA . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER HA H 1 . 135.72 . . 0.50 . . . 37 SER CA . 37 SER HA . 15905 3 33 1JCAHA . 1 1 38 38 TYR CA C 13 . . 1 1 38 38 TYR HA H 1 . 141.65 . . 0.50 . . . 38 TYR CA . 38 TYR HA . 15905 3 34 1JCAHA . 1 1 39 39 PRO CA C 13 . . 1 1 39 39 PRO HA H 1 . 147.00 . . 0.50 . . . 39 PRO CA . 39 PRO HA . 15905 3 35 1JCAHA . 1 1 40 40 HIS CA C 13 . . 1 1 40 40 HIS HA H 1 . 142.37 . . 0.50 . . . 40 HIS CA . 40 HIS HA . 15905 3 36 1JCAHA . 1 1 41 41 LYS CA C 13 . . 1 1 41 41 LYS HA H 1 . 144.85 . . 0.50 . . . 41 LYS CA . 41 LYS HA . 15905 3 37 1JCAHA . 1 1 42 42 TYR CA C 13 . . 1 1 42 42 TYR HA H 1 . 142.93 . . 0.50 . . . 42 TYR CA . 42 TYR HA . 15905 3 38 1JCAHA . 1 1 43 43 ASN CA C 13 . . 1 1 43 43 ASN HA H 1 . 144.80 . . 0.50 . . . 43 ASN CA . 43 ASN HA . 15905 3 39 1JCAHA . 1 1 44 44 ASN CA C 13 . . 1 1 44 44 ASN HA H 1 . 135.04 . . 0.50 . . . 44 ASN CA . 44 ASN HA . 15905 3 40 1JCAHA . 1 1 45 45 TYR CA C 13 . . 1 1 45 45 TYR HA H 1 . 145.78 . . 0.50 . . . 45 TYR CA . 45 TYR HA . 15905 3 41 1JCAHA . 1 1 46 46 GLU CA C 13 . . 1 1 46 46 GLU HA H 1 . 146.47 . . 0.50 . . . 46 GLU CA . 46 GLU HA . 15905 3 42 1JCAHA . 1 1 48 48 PHE CA C 13 . . 1 1 48 48 PHE HA H 1 . 144.33 . . 0.50 . . . 48 PHE CA . 48 PHE HA . 15905 3 43 1JCAHA . 1 1 49 49 ASP CA C 13 . . 1 1 49 49 ASP HA H 1 . 141.36 . . 0.50 . . . 49 ASP CA . 49 ASP HA . 15905 3 44 1JCAHA . 1 1 50 50 PHE CA C 13 . . 1 1 50 50 PHE HA H 1 . 143.05 . . 0.50 . . . 50 PHE CA . 50 PHE HA . 15905 3 45 1JCAHA . 1 1 51 51 SER CA C 13 . . 1 1 51 51 SER HA H 1 . 140.26 . . 0.50 . . . 51 SER CA . 51 SER HA . 15905 3 46 1JCAHA . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL HA H 1 . 142.24 . . 0.50 . . . 52 VAL CA . 52 VAL HA . 15905 3 47 1JCAHA . 1 1 53 53 SER CA C 13 . . 1 1 53 53 SER HA H 1 . 141.72 . . 0.50 . . . 53 SER CA . 53 SER HA . 15905 3 48 1JCAHA . 1 1 54 54 SER CA C 13 . . 1 1 54 54 SER HA H 1 . 141.25 . . 0.50 . . . 54 SER CA . 54 SER HA . 15905 3 49 1JCAHA . 1 1 55 55 PRO CA C 13 . . 1 1 55 55 PRO HA H 1 . 145.36 . . 0.50 . . . 55 PRO CA . 55 PRO HA . 15905 3 50 1JCAHA . 1 1 56 56 TYR CA C 13 . . 1 1 56 56 TYR HA H 1 . 143.19 . . 0.50 . . . 56 TYR CA . 56 TYR HA . 15905 3 51 1JCAHA . 1 1 57 57 TYR CA C 13 . . 1 1 57 57 TYR HA H 1 . 143.86 . . 0.50 . . . 57 TYR CA . 57 TYR HA . 15905 3 52 1JCAHA . 1 1 58 58 GLU CA C 13 . . 1 1 58 58 GLU HA H 1 . 141.22 . . 0.50 . . . 58 GLU CA . 58 GLU HA . 15905 3 53 1JCAHA . 1 1 59 59 TRP CA C 13 . . 1 1 59 59 TRP HA H 1 . 141.07 . . 0.50 . . . 59 TRP CA . 59 TRP HA . 15905 3 54 1JCAHA . 1 1 60 60 PRO CA C 13 . . 1 1 60 60 PRO HA H 1 . 143.06 . . 0.50 . . . 60 PRO CA . 60 PRO HA . 15905 3 55 1JCAHA . 1 1 61 61 ILE CA C 13 . . 1 1 61 61 ILE HA H 1 . 139.20 . . 0.50 . . . 61 ILE CA . 61 ILE HA . 15905 3 56 1JCAHA . 1 1 62 62 LEU CA C 13 . . 1 1 62 62 LEU HA H 1 . 141.16 . . 0.50 . . . 62 LEU CA . 62 LEU HA . 15905 3 57 1JCAHA . 1 1 63 63 SER CA C 13 . . 1 1 63 63 SER HA H 1 . 142.35 . . 0.50 . . . 63 SER CA . 63 SER HA . 15905 3 58 1JCAHA . 1 1 64 64 SER CA C 13 . . 1 1 64 64 SER HA H 1 . 145.96 . . 0.50 . . . 64 SER CA . 64 SER HA . 15905 3 59 1JCAHA . 1 1 66 66 ASP CA C 13 . . 1 1 66 66 ASP HA H 1 . 144.76 . . 0.50 . . . 66 ASP CA . 66 ASP HA . 15905 3 60 1JCAHA . 1 1 67 67 VAL CA C 13 . . 1 1 67 67 VAL HA H 1 . 139.68 . . 0.50 . . . 67 VAL CA . 67 VAL HA . 15905 3 61 1JCAHA . 1 1 68 68 TYR CA C 13 . . 1 1 68 68 TYR HA H 1 . 143.37 . . 0.50 . . . 68 TYR CA . 68 TYR HA . 15905 3 62 1JCAHA . 1 1 69 69 SER CA C 13 . . 1 1 69 69 SER HA H 1 . 135.59 . . 0.50 . . . 69 SER CA . 69 SER HA . 15905 3 63 1JCAHA . 1 1 73 73 PRO CA C 13 . . 1 1 73 73 PRO HA H 1 . 150.53 . . 0.50 . . . 73 PRO CA . 73 PRO HA . 15905 3 64 1JCAHA . 1 1 75 75 ALA CA C 13 . . 1 1 75 75 ALA HA H 1 . 143.61 . . 0.50 . . . 75 ALA CA . 75 ALA HA . 15905 3 65 1JCAHA . 1 1 76 76 ASP CA C 13 . . 1 1 76 76 ASP HA H 1 . 143.78 . . 0.50 . . . 76 ASP CA . 76 ASP HA . 15905 3 66 1JCAHA . 1 1 77 77 ARG CA C 13 . . 1 1 77 77 ARG HA H 1 . 142.09 . . 0.50 . . . 77 ARG CA . 77 ARG HA . 15905 3 67 1JCAHA . 1 1 78 78 VAL CA C 13 . . 1 1 78 78 VAL HA H 1 . 139.93 . . 0.50 . . . 78 VAL CA . 78 VAL HA . 15905 3 68 1JCAHA . 1 1 79 79 VAL CA C 13 . . 1 1 79 79 VAL HA H 1 . 143.53 . . 0.50 . . . 79 VAL CA . 79 VAL HA . 15905 3 69 1JCAHA . 1 1 80 80 PHE CA C 13 . . 1 1 80 80 PHE HA H 1 . 140.88 . . 0.50 . . . 80 PHE CA . 80 PHE HA . 15905 3 70 1JCAHA . 1 1 81 81 ASN CA C 13 . . 1 1 81 81 ASN HA H 1 . 136.96 . . 0.50 . . . 81 ASN CA . 81 ASN HA . 15905 3 71 1JCAHA . 1 1 82 82 GLU CA C 13 . . 1 1 82 82 GLU HA H 1 . 146.41 . . 0.50 . . . 82 GLU CA . 82 GLU HA . 15905 3 72 1JCAHA . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN HA H 1 . 140.73 . . 0.50 . . . 83 ASN CA . 83 ASN HA . 15905 3 73 1JCAHA . 1 1 84 84 ASN CA C 13 . . 1 1 84 84 ASN HA H 1 . 136.09 . . 0.50 . . . 84 ASN CA . 84 ASN HA . 15905 3 74 1JCAHA . 1 1 85 85 GLN CA C 13 . . 1 1 85 85 GLN HA H 1 . 141.28 . . 0.50 . . . 85 GLN CA . 85 GLN HA . 15905 3 75 1JCAHA . 1 1 86 86 LEU CA C 13 . . 1 1 86 86 LEU HA H 1 . 141.75 . . 0.50 . . . 86 LEU CA . 86 LEU HA . 15905 3 76 1JCAHA . 1 1 87 87 ALA CA C 13 . . 1 1 87 87 ALA HA H 1 . 144.59 . . 0.50 . . . 87 ALA CA . 87 ALA HA . 15905 3 77 1JCAHA . 1 1 89 89 VAL CA C 13 . . 1 1 89 89 VAL HA H 1 . 142.07 . . 0.50 . . . 89 VAL CA . 89 VAL HA . 15905 3 78 1JCAHA . 1 1 90 90 ILE CA C 13 . . 1 1 90 90 ILE HA H 1 . 139.29 . . 0.50 . . . 90 ILE CA . 90 ILE HA . 15905 3 79 1JCAHA . 1 1 91 91 THR CA C 13 . . 1 1 91 91 THR HA H 1 . 143.08 . . 0.50 . . . 91 THR CA . 91 THR HA . 15905 3 80 1JCAHA . 1 1 92 92 HIS CA C 13 . . 1 1 92 92 HIS HA H 1 . 145.37 . . 0.50 . . . 92 HIS CA . 92 HIS HA . 15905 3 81 1JCAHA . 1 1 93 93 THR CA C 13 . . 1 1 93 93 THR HA H 1 . 141.94 . . 0.50 . . . 93 THR CA . 93 THR HA . 15905 3 82 1JCAHA . 1 1 95 95 ALA CA C 13 . . 1 1 95 95 ALA HA H 1 . 140.98 . . 0.50 . . . 95 ALA CA . 95 ALA HA . 15905 3 83 1JCAHA . 1 1 96 96 SER CA C 13 . . 1 1 96 96 SER HA H 1 . 142.51 . . 0.50 . . . 96 SER CA . 96 SER HA . 15905 3 84 1JCAHA . 1 1 98 98 ASN CA C 13 . . 1 1 98 98 ASN HA H 1 . 138.87 . . 0.50 . . . 98 ASN CA . 98 ASN HA . 15905 3 85 1JCAHA . 1 1 99 99 ASN CA C 13 . . 1 1 99 99 ASN HA H 1 . 142.87 . . 0.50 . . . 99 ASN CA . 99 ASN HA . 15905 3 86 1JCAHA . 1 1 100 100 PHE CA C 13 . . 1 1 100 100 PHE HA H 1 . 142.97 . . 0.50 . . . 100 PHE CA . 100 PHE HA . 15905 3 87 1JCAHA . 1 1 101 101 VAL CA C 13 . . 1 1 101 101 VAL HA H 1 . 137.76 . . 0.50 . . . 101 VAL CA . 101 VAL HA . 15905 3 88 1JCAHA . 1 1 102 102 GLU CA C 13 . . 1 1 102 102 GLU HA H 1 . 142.36 . . 0.50 . . . 102 GLU CA . 102 GLU HA . 15905 3 89 1JCAHA . 1 1 103 103 CYS CA C 13 . . 1 1 103 103 CYS HA H 1 . 145.24 . . 0.50 . . . 103 CYS CA . 103 CYS HA . 15905 3 90 1JCAHA . 1 1 104 104 THR CA C 13 . . 1 1 104 104 THR HA H 1 . 138.30 . . 0.50 . . . 104 THR CA . 104 THR HA . 15905 3 stop_ save_ save_1JCaCb _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 1JCaCb _Coupling_constant_list.Entry_ID 15905 _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 same 3D on all samples 500 or 800 ; _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' . . . 15905 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 2 2 CYS CA C 13 . . 1 1 2 2 CYS CB C 13 . 36.75 . . 0.50 . . . 2 CYS CA . 2 CYS CB . 15905 4 2 1JCACB . 1 1 3 3 ASP CA C 13 . . 1 1 3 3 ASP CB C 13 . 34.52 . . 0.50 . . . 3 ASP CA . 3 ASP CB . 15905 4 3 1JCACB . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR CB C 13 . 32.70 . . 0.50 . . . 4 TYR CA . 4 TYR CB . 15905 4 4 1JCACB . 1 1 5 5 THR CA C 13 . . 1 1 5 5 THR CB C 13 . 39.10 . . 0.50 . . . 5 THR CA . 5 THR CB . 15905 4 5 1JCACB . 1 1 6 6 CYS CA C 13 . . 1 1 6 6 CYS CB C 13 . 39.89 . . 0.50 . . . 6 CYS CA . 6 CYS CB . 15905 4 6 1JCACB . 1 1 8 8 SER CA C 13 . . 1 1 8 8 SER CB C 13 . 38.70 . . 0.50 . . . 8 SER CA . 8 SER CB . 15905 4 7 1JCACB . 1 1 9 9 ASN CA C 13 . . 1 1 9 9 ASN CB C 13 . 37.28 . . 0.50 . . . 9 ASN CA . 9 ASN CB . 15905 4 8 1JCACB . 1 1 10 10 CYS CA C 13 . . 1 1 10 10 CYS CB C 13 . 37.03 . . 0.50 . . . 10 CYS CA . 10 CYS CB . 15905 4 9 1JCACB . 1 1 11 11 TYR CA C 13 . . 1 1 11 11 TYR CB C 13 . 32.79 . . 0.50 . . . 11 TYR CA . 11 TYR CB . 15905 4 10 1JCACB . 1 1 12 12 SER CA C 13 . . 1 1 12 12 SER CB C 13 . 37.55 . . 0.50 . . . 12 SER CA . 12 SER CB . 15905 4 11 1JCACB . 1 1 14 14 SER CA C 13 . . 1 1 14 14 SER CB C 13 . 37.72 . . 0.50 . . . 14 SER CA . 14 SER CB . 15905 4 12 1JCACB . 1 1 15 15 ASP CA C 13 . . 1 1 15 15 ASP CB C 13 . 34.50 . . 0.50 . . . 15 ASP CA . 15 ASP CB . 15905 4 13 1JCACB . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL CB C 13 . 32.72 . . 0.50 . . . 16 VAL CA . 16 VAL CB . 15905 4 14 1JCACB . 1 1 17 17 SER CA C 13 . . 1 1 17 17 SER CB C 13 . 34.30 . . 0.50 . . . 17 SER CA . 17 SER CB . 15905 4 15 1JCACB . 1 1 18 18 THR CA C 13 . . 1 1 18 18 THR CB C 13 . 37.62 . . 0.50 . . . 18 THR CA . 18 THR CB . 15905 4 16 1JCACB . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA CB C 13 . 33.37 . . 0.50 . . . 19 ALA CA . 19 ALA CB . 15905 4 17 1JCACB . 1 1 20 20 GLN CA C 13 . . 1 1 20 20 GLN CB C 13 . 33.29 . . 0.50 . . . 20 GLN CA . 20 GLN CB . 15905 4 18 1JCACB . 1 1 21 21 ALA CA C 13 . . 1 1 21 21 ALA CB C 13 . 33.27 . . 0.50 . . . 21 ALA CA . 21 ALA CB . 15905 4 19 1JCACB . 1 1 22 22 ALA CA C 13 . . 1 1 22 22 ALA CB C 13 . 33.32 . . 0.50 . . . 22 ALA CA . 22 ALA CB . 15905 4 20 1JCACB . 1 1 24 24 TYR CA C 13 . . 1 1 24 24 TYR CB C 13 . 32.04 . . 0.50 . . . 24 TYR CA . 24 TYR CB . 15905 4 21 1JCACB . 1 1 25 25 LYS CA C 13 . . 1 1 25 25 LYS CB C 13 . 32.57 . . 0.50 . . . 25 LYS CA . 25 LYS CB . 15905 4 22 1JCACB . 1 1 26 26 LEU CA C 13 . . 1 1 26 26 LEU CB C 13 . 32.78 . . 0.50 . . . 26 LEU CA . 26 LEU CB . 15905 4 23 1JCACB . 1 1 27 27 HIS CA C 13 . . 1 1 27 27 HIS CB C 13 . 32.83 . . 0.50 . . . 27 HIS CA . 27 HIS CB . 15905 4 24 1JCACB . 1 1 28 28 GLU CA C 13 . . 1 1 28 28 GLU CB C 13 . 33.22 . . 0.50 . . . 28 GLU CA . 28 GLU CB . 15905 4 25 1JCACB . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP CB C 13 . 37.47 . . 0.50 . . . 29 ASP CA . 29 ASP CB . 15905 4 26 1JCACB . 1 1 31 31 GLU CA C 13 . . 1 1 31 31 GLU CB C 13 . 33.62 . . 0.50 . . . 31 GLU CA . 31 GLU CB . 15905 4 27 1JCACB . 1 1 32 32 THR CA C 13 . . 1 1 32 32 THR CB C 13 . 36.36 . . 0.50 . . . 32 THR CA . 32 THR CB . 15905 4 28 1JCACB . 1 1 33 33 VAL CA C 13 . . 1 1 33 33 VAL CB C 13 . 33.11 . . 0.50 . . . 33 VAL CA . 33 VAL CB . 15905 4 29 1JCACB . 1 1 36 36 ASN CA C 13 . . 1 1 36 36 ASN CB C 13 . 38.73 . . 0.50 . . . 36 ASN CA . 36 ASN CB . 15905 4 30 1JCACB . 1 1 37 37 SER CA C 13 . . 1 1 37 37 SER CB C 13 . 41.31 . . 0.50 . . . 37 SER CA . 37 SER CB . 15905 4 31 1JCACB . 1 1 39 39 PRO CA C 13 . . 1 1 39 39 PRO CB C 13 . 31.88 . . 0.50 . . . 39 PRO CA . 39 PRO CB . 15905 4 32 1JCACB . 1 1 41 41 LYS CA C 13 . . 1 1 41 41 LYS CB C 13 . 33.28 . . 0.50 . . . 41 LYS CA . 41 LYS CB . 15905 4 33 1JCACB . 1 1 42 42 TYR CA C 13 . . 1 1 42 42 TYR CB C 13 . 34.56 . . 0.50 . . . 42 TYR CA . 42 TYR CB . 15905 4 34 1JCACB . 1 1 43 43 ASN CA C 13 . . 1 1 43 43 ASN CB C 13 . 36.17 . . 0.50 . . . 43 ASN CA . 43 ASN CB . 15905 4 35 1JCACB . 1 1 44 44 ASN CA C 13 . . 1 1 44 44 ASN CB C 13 . 43.38 . . 0.50 . . . 44 ASN CA . 44 ASN CB . 15905 4 36 1JCACB . 1 1 45 45 TYR CA C 13 . . 1 1 45 45 TYR CB C 13 . 33.60 . . 0.50 . . . 45 TYR CA . 45 TYR CB . 15905 4 37 1JCACB . 1 1 46 46 GLU CA C 13 . . 1 1 46 46 GLU CB C 13 . 33.35 . . 0.50 . . . 46 GLU CA . 46 GLU CB . 15905 4 38 1JCACB . 1 1 48 48 PHE CA C 13 . . 1 1 48 48 PHE CB C 13 . 33.03 . . 0.50 . . . 48 PHE CA . 48 PHE CB . 15905 4 39 1JCACB . 1 1 49 49 ASP CA C 13 . . 1 1 49 49 ASP CB C 13 . 39.50 . . 0.50 . . . 49 ASP CA . 49 ASP CB . 15905 4 40 1JCACB . 1 1 50 50 PHE CA C 13 . . 1 1 50 50 PHE CB C 13 . 34.42 . . 0.50 . . . 50 PHE CA . 50 PHE CB . 15905 4 41 1JCACB . 1 1 51 51 SER CA C 13 . . 1 1 51 51 SER CB C 13 . 38.59 . . 0.50 . . . 51 SER CA . 51 SER CB . 15905 4 42 1JCACB . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL CB C 13 . 33.26 . . 0.50 . . . 52 VAL CA . 52 VAL CB . 15905 4 43 1JCACB . 1 1 53 53 SER CA C 13 . . 1 1 53 53 SER CB C 13 . 35.97 . . 0.50 . . . 53 SER CA . 53 SER CB . 15905 4 44 1JCACB . 1 1 55 55 PRO CA C 13 . . 1 1 55 55 PRO CB C 13 . 31.11 . . 0.50 . . . 55 PRO CA . 55 PRO CB . 15905 4 45 1JCACB . 1 1 56 56 TYR CA C 13 . . 1 1 56 56 TYR CB C 13 . 32.66 . . 0.50 . . . 56 TYR CA . 56 TYR CB . 15905 4 46 1JCACB . 1 1 57 57 TYR CA C 13 . . 1 1 57 57 TYR CB C 13 . 31.85 . . 0.50 . . . 57 TYR CA . 57 TYR CB . 15905 4 47 1JCACB . 1 1 58 58 GLU CA C 13 . . 1 1 58 58 GLU CB C 13 . 34.44 . . 0.50 . . . 58 GLU CA . 58 GLU CB . 15905 4 48 1JCACB . 1 1 60 60 PRO CA C 13 . . 1 1 60 60 PRO CB C 13 . 31.90 . . 0.50 . . . 60 PRO CA . 60 PRO CB . 15905 4 49 1JCACB . 1 1 61 61 ILE CA C 13 . . 1 1 61 61 ILE CB C 13 . 34.79 . . 0.50 . . . 61 ILE CA . 61 ILE CB . 15905 4 50 1JCACB . 1 1 62 62 LEU CA C 13 . . 1 1 62 62 LEU CB C 13 . 33.49 . . 0.50 . . . 62 LEU CA . 62 LEU CB . 15905 4 51 1JCACB . 1 1 63 63 SER CA C 13 . . 1 1 63 63 SER CB C 13 . 36.10 . . 0.50 . . . 63 SER CA . 63 SER CB . 15905 4 52 1JCACB . 1 1 64 64 SER CA C 13 . . 1 1 64 64 SER CB C 13 . 37.12 . . 0.50 . . . 64 SER CA . 64 SER CB . 15905 4 53 1JCACB . 1 1 66 66 ASP CA C 13 . . 1 1 66 66 ASP CB C 13 . 34.93 . . 0.50 . . . 66 ASP CA . 66 ASP CB . 15905 4 54 1JCACB . 1 1 67 67 VAL CA C 13 . . 1 1 67 67 VAL CB C 13 . 33.76 . . 0.50 . . . 67 VAL CA . 67 VAL CB . 15905 4 55 1JCACB . 1 1 68 68 TYR CA C 13 . . 1 1 68 68 TYR CB C 13 . 33.15 . . 0.50 . . . 68 TYR CA . 68 TYR CB . 15905 4 56 1JCACB . 1 1 73 73 PRO CA C 13 . . 1 1 73 73 PRO CB C 13 . 32.76 . . 0.50 . . . 73 PRO CA . 73 PRO CB . 15905 4 57 1JCACB . 1 1 75 75 ALA CA C 13 . . 1 1 75 75 ALA CB C 13 . 34.37 . . 0.50 . . . 75 ALA CA . 75 ALA CB . 15905 4 58 1JCACB . 1 1 76 76 ASP CA C 13 . . 1 1 76 76 ASP CB C 13 . 35.18 . . 0.50 . . . 76 ASP CA . 76 ASP CB . 15905 4 59 1JCACB . 1 1 77 77 ARG CA C 13 . . 1 1 77 77 ARG CB C 13 . 32.52 . . 0.50 . . . 77 ARG CA . 77 ARG CB . 15905 4 60 1JCACB . 1 1 78 78 VAL CA C 13 . . 1 1 78 78 VAL CB C 13 . 34.98 . . 0.50 . . . 78 VAL CA . 78 VAL CB . 15905 4 61 1JCACB . 1 1 79 79 VAL CA C 13 . . 1 1 79 79 VAL CB C 13 . 35.26 . . 0.50 . . . 79 VAL CA . 79 VAL CB . 15905 4 62 1JCACB . 1 1 80 80 PHE CA C 13 . . 1 1 80 80 PHE CB C 13 . 32.43 . . 0.50 . . . 80 PHE CA . 80 PHE CB . 15905 4 63 1JCACB . 1 1 81 81 ASN CA C 13 . . 1 1 81 81 ASN CB C 13 . 38.58 . . 0.50 . . . 81 ASN CA . 81 ASN CB . 15905 4 64 1JCACB . 1 1 82 82 GLU CA C 13 . . 1 1 82 82 GLU CB C 13 . 33.06 . . 0.50 . . . 82 GLU CA . 82 GLU CB . 15905 4 65 1JCACB . 1 1 83 83 ASN CA C 13 . . 1 1 83 83 ASN CB C 13 . 38.97 . . 0.50 . . . 83 ASN CA . 83 ASN CB . 15905 4 66 1JCACB . 1 1 84 84 ASN CA C 13 . . 1 1 84 84 ASN CB C 13 . 43.73 . . 0.50 . . . 84 ASN CA . 84 ASN CB . 15905 4 67 1JCACB . 1 1 85 85 GLN CA C 13 . . 1 1 85 85 GLN CB C 13 . 34.60 . . 0.50 . . . 85 GLN CA . 85 GLN CB . 15905 4 68 1JCACB . 1 1 86 86 LEU CA C 13 . . 1 1 86 86 LEU CB C 13 . 33.97 . . 0.50 . . . 86 LEU CA . 86 LEU CB . 15905 4 69 1JCACB . 1 1 87 87 ALA CA C 13 . . 1 1 87 87 ALA CB C 13 . 34.15 . . 0.50 . . . 87 ALA CA . 87 ALA CB . 15905 4 70 1JCACB . 1 1 89 89 VAL CA C 13 . . 1 1 89 89 VAL CB C 13 . 35.22 . . 0.50 . . . 89 VAL CA . 89 VAL CB . 15905 4 71 1JCACB . 1 1 90 90 ILE CA C 13 . . 1 1 90 90 ILE CB C 13 . 33.53 . . 0.50 . . . 90 ILE CA . 90 ILE CB . 15905 4 72 1JCACB . 1 1 91 91 THR CA C 13 . . 1 1 91 91 THR CB C 13 . 36.19 . . 0.50 . . . 91 THR CA . 91 THR CB . 15905 4 73 1JCACB . 1 1 92 92 HIS CA C 13 . . 1 1 92 92 HIS CB C 13 . 34.65 . . 0.50 . . . 92 HIS CA . 92 HIS CB . 15905 4 74 1JCACB . 1 1 93 93 THR CA C 13 . . 1 1 93 93 THR CB C 13 . 39.88 . . 0.50 . . . 93 THR CA . 93 THR CB . 15905 4 75 1JCACB . 1 1 95 95 ALA CA C 13 . . 1 1 95 95 ALA CB C 13 . 34.19 . . 0.50 . . . 95 ALA CA . 95 ALA CB . 15905 4 76 1JCACB . 1 1 96 96 SER CA C 13 . . 1 1 96 96 SER CB C 13 . 37.76 . . 0.50 . . . 96 SER CA . 96 SER CB . 15905 4 77 1JCACB . 1 1 98 98 ASN CA C 13 . . 1 1 98 98 ASN CB C 13 . 39.49 . . 0.50 . . . 98 ASN CA . 98 ASN CB . 15905 4 78 1JCACB . 1 1 99 99 ASN CA C 13 . . 1 1 99 99 ASN CB C 13 . 35.49 . . 0.50 . . . 99 ASN CA . 99 ASN CB . 15905 4 79 1JCACB . 1 1 100 100 PHE CA C 13 . . 1 1 100 100 PHE CB C 13 . 32.51 . . 0.50 . . . 100 PHE CA . 100 PHE CB . 15905 4 80 1JCACB . 1 1 101 101 VAL CA C 13 . . 1 1 101 101 VAL CB C 13 . 33.57 . . 0.50 . . . 101 VAL CA . 101 VAL CB . 15905 4 81 1JCACB . 1 1 102 102 GLU CA C 13 . . 1 1 102 102 GLU CB C 13 . 33.76 . . 0.50 . . . 102 GLU CA . 102 GLU CB . 15905 4 82 1JCACB . 1 1 103 103 CYS CA C 13 . . 1 1 103 103 CYS CB C 13 . 34.66 . . 0.50 . . . 103 CYS CA . 103 CYS CB . 15905 4 stop_ save_