data_16469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16469 _Entry.Title ; 3J coupling constants related to the phi-torsion angles in Ribonuclease T1 (EC 3.1.27.3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-27 _Entry.Accession_date 2009-08-27 _Entry.Last_release_date 2012-04-25 _Entry.Original_release_date 2012-04-25 _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. . 16469 2 Frank Lohr . . . 16469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 6 16469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 512 16469 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 1 . . 2012-04-25 2009-08-27 original author . 16469 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' 16469 BMRB 15905 '1J(CA,X) coupling constants in Ribonuclease T1' 16469 BMRB 1658 '15N chemical-shift assignments for Ribonuclease T1' 16469 BMRB 16580 '2J coupling constants in Ribonuclease T1 from Aspergillus oryzae' 16469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Refinement of Protein Tertiary Structure by Using Spin-Spin Coupling Constants from Nuclear Magnetic Resonance Measurements' _Citation.Status published _Citation.Type 'book chapter' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title 'Protein Structure' _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN 978-953-51-0555-8 _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 http://www.intechopen.com/books/protein-structure/refinement-of-protein-tertiary-structure-by-using-spin-spin-coupling-constants-from-nuclear-magnetic _Citation.Page_first 95 _Citation.Page_last 120 _Citation.Year 2012 _Citation.Details ; Protein Structure, Dr. Eshel Faraggi (Ed.), ISBN: 978-953-51-0555-8, InTech, Rijeka, Croatia Available from: http://www.intechopen.com/books/protein-structure/refinement-of-protein-tertiary-structure-by-using-spin-spin-coupling-constants-from-nuclear-magnetic (Chapter 4, Pages 95-120, book published online as of April 20th, 2012) ; 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. . 16469 1 2 Frank Lohr . . . 16469 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational exchange' 16469 1 'coupling constants' 16469 1 'data mining' 16469 1 'degrees of freedom' 16469 1 'Karplus parameters' 16469 1 'ribonuclease T1' 16469 1 'signal lineshape fitting' 16469 1 statistics 16469 1 'torsion angles' 16469 1 stop_ save_ save_Lohr_&_Ruterjans_1995 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_&_Ruterjans_1995 _Citation.Entry_ID 16469 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7881271 _Citation.Full_citation . _Citation.Title '(H)NCAHA and (H)CANNH experiments for the determination of vicinal coupling constants related to the f-torsion angle' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 25 _Citation.Page_last 36 _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 Frank Lohr . . . 16469 2 2 Heinz Ruterjans . . . 16469 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCO measurement' 16469 2 stop_ save_ save_Wang_&_Bax_1995 _Citation.Sf_category citations _Citation.Sf_framecode Wang_&_Bax_1995 _Citation.Entry_ID 16469 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Reparametrization of the Karplus relation for 3J(Ha-N) and 3J(HN-CO) in peptides from uniformly 13C/15N-enriched human ubiquitin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1810 _Citation.Page_last 1813 _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. . 16469 3 2 A. Bax . . . 16469 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCO measurement' 16469 3 stop_ save_ save_Hu_&_Bax_1996 _Citation.Sf_category citations _Citation.Sf_framecode Hu_&_Bax_1996 _Citation.Entry_ID 16469 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Measurement of three-bond 13C-13C J couplings between carbonyl and carbonyl/carboxyl carbons in isotopically enriched proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 118 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8170 _Citation.Page_last 8171 _Citation.Year 1996 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Hu . S . 16469 4 2 A. Bax . . . 16469 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOCO measurement' 16469 4 stop_ save_ save_Schmidt_et_al_1996 _Citation.Sf_category citations _Citation.Sf_framecode Schmidt_et_al_1996 _Citation.Entry_ID 16469 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8616270 _Citation.Full_citation . _Citation.Title 'Heteronuclear relayed E.COSY applied to the determination of accurate 3J(HN,CO) and 3J(Hb,CO) coupling constants in Desulfovibrio vulgaris flavodoxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 142 _Citation.Page_last 152 _Citation.Year 1996 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jurgen Schmidt . M. . 16469 5 2 Frank Lohr . . . 16469 5 3 Heinz Ruterjans . . . 16469 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCO measurement' 16469 5 stop_ save_ save_Wang_&_Bax_1996 _Citation.Sf_category citations _Citation.Sf_framecode Wang_&_Bax_1996 _Citation.Entry_ID 16469 _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 'Determination of the backbone dihedral angle f in human ubiquitin from reparametrized empirical Karplus equations' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 118 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2483 _Citation.Page_last 2494 _Citation.Year 1996 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Wang . C. . 16469 6 2 A. Bax . . . 16469 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCB measurement' 16469 6 stop_ save_ save_Hu_&_Bax_1997 _Citation.Sf_category citations _Citation.Sf_framecode Hu_&_Bax_1997 _Citation.Entry_ID 16469 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Determination of f and c1 angles in proteins from 13C-13C three-bond couplings measured by three-dimensional heteronuclear NMR. How planar is the peptide bond?' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 119 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6360 _Citation.Page_last 6368 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Hu . S. . 16469 7 2 A. Bax . . . 16469 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOCB measurement' 16469 7 stop_ save_ save_Lohr_et_al_1997 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1997 _Citation.Entry_ID 16469 _Citation.ID 8 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Application of H(N)CA,CO-E.COSY experiments for calibrating the f-angular dependences of vicinal J(COi-1,Hai), J(COi-1,COi), and J(COi-1,Cbi) in proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 107 _Citation.Page_last 118 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lohr . . . 16469 8 2 M. Blumel . . . 16469 8 3 J. Schmidt . M. . 16469 8 4 H. Ruterjans . . . 16469 8 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOCB measurement' 16469 8 '3JCOCO measurement' 16469 8 '3JCOHA measurement' 16469 8 stop_ save_ save_Lohr_et_al_1999 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1999 _Citation.Entry_ID 16469 _Citation.ID 9 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Simultaneous measurement of 3JHN,Ha and 3JHa,Hb coupling constants in 13C,15N-labeled proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11821 _Citation.Page_last 11826 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Lohr . . . 16469 9 2 J Schmidt . M. . 16469 9 3 H Ruterjans . . . 16469 9 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNHA measurement' 16469 9 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16469 _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 . _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 'Ribonuclease T1' 1 $RNase_T1 A . yes native no no . . 'Lys25 isoenzyme' 16469 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 10 10 SG . . . . . . . . . . 16469 1 2 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 103 103 SG . . . . . . . . . . 16469 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)' . 16469 1 yes PDB 1YGW . . 'solution NMR' . 'RNaseT1 (Lys25 isoenzyme)' . 16469 1 yes PDB 3RNT . . X-ray 1.8 'RNaseT1:(VO4)5+ complex' . 16469 1 yes PDB 8RNT . . X-ray 1.8 'RNaseT1:Zn2+ complex' . 16469 1 yes PDB 9RNT . . X-ray 1.5 'RNaseT1:Ca2+ complex' . 16469 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'guanine-specific ssRNA cleavage' 16469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_T1 _Entity.Sf_category entity _Entity.Sf_framecode RNase_T1 _Entity.Entry_ID 16469 _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 1 _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 2015-11-25 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 15905 . RNase_T1 . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 2 no BMRB 1658 . "ribonuclease T1" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 3 no BMRB 16580 . RNase_T1 . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 6 no PDB 1BU4 . "Ribonuclease 1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 7 no PDB 1BVI . "Ribonuclease T1 (Wildtype) Complexed With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 1 9 no PDB 1FYS . "Ribonuclease T1 V16c Mutant" . . . . . 100.00 104 99.04 99.04 3.50e-67 . . . . 16469 1 10 no PDB 1FZU . "Rnase T1 V78a Mutant" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 16469 1 11 no PDB 1G02 . "Ribonuclease T1 V16s Mutant" . . . . . 100.00 104 99.04 99.04 2.81e-67 . . . . 16469 1 12 no PDB 1GSP . "Ribonuclease T1 Complexed With 2',3'-Cgps, 1 Day" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 13 no PDB 1HYF . "Ribonuclease T1 V16a Mutant In Complex With Sr2+" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 16469 1 14 no PDB 1HZ1 . "Ribonuclease T1 V16a Mutant In Complex With Mg2+" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 17 no PDB 1I2E . "Ribonuclease T1 V16a Mutant, Form I" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 16469 1 18 no PDB 1I2F . "Ribonuclease T1 V16a Mutant, Form Ii" . . . . . 100.00 104 99.04 99.04 1.34e-67 . . . . 16469 1 19 no PDB 1I2G . "Ribonuclease T1 V16t Mutant" . . . . . 100.00 104 99.04 99.04 1.37e-67 . . . . 16469 1 20 no PDB 1I3F . "Ribonuclease T1 V89s Mutant" . . . . . 100.00 104 99.04 99.04 2.81e-67 . . . . 16469 1 21 no PDB 1I3I . "Ribonuclease T1 V78t Mutant" . . . . . 100.00 104 99.04 99.04 1.37e-67 . . . . 16469 1 22 no PDB 1IYY . "Nmr Structure Of Gln25-Ribonuclease T1, 24 Structures" . . . . . 100.00 104 99.04 100.00 1.20e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 31 no PDB 1RHL . "Ribonuclease T1 Complexed With 2'gmpG23A MUTANT" . . . . . 100.00 104 99.04 99.04 1.72e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 38 no PDB 1YGW . "Nmr Structure Of Ribonuclease T1, 34 Structures" . . . . . 99.04 104 100.00 100.00 1.72e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 41 no PDB 2BIR . "Additivity Of Substrate Binding In Ribonuclease T1 (Y42a Mutant)" . . . . . 100.00 104 98.08 98.08 3.45e-66 . . . . 16469 1 42 no PDB 2BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 43 no PDB 2GSP . "Ribonuclease T12',3'-Cgps And 3'-Gmp, 2 Days" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 44 no PDB 2HOH . "Ribonuclease T1 (n9a Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 2.72e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 47 no PDB 3BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 1 49 no PDB 3HOH . "Ribonuclease T1 (Thr93gln Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 1.84e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 53 no PDB 4BIR . "Ribonuclease T1: Free His92gln Mutant" . . . . . 100.00 104 99.04 99.04 2.66e-67 . . . . 16469 1 54 no PDB 4BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 1 56 no PDB 4HOH . "Ribonuclease T1 (Thr93ala Mutant) Complexed With 2'gmp" . . . . . 100.00 104 99.04 99.04 1.70e-67 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 59 no PDB 5BU4 . "Ribonuclease T1 Complex With 2'gmp" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 60 no PDB 5GSP . "Ribonuclease T13'-Gmp, 9 Weeks" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 61 no PDB 5HOH . "Ribonuclease T1 (Asn9alaTHR93ALA DOUBLEMUTANT) COMPLEXED With 2'gmp" . . . . . 100.00 104 98.08 98.08 1.28e-66 . . . . 16469 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 . . . . 16469 1 63 no PDB 6GSP . "Ribonuclease T1/3'-gmp, 15 Weeks" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 1 65 no PDB 7GSP . "Ribonuclease T12',3'-Cgps, Non-Productive" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 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 . . . . 16469 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 . . . . 16469 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 . . . . 16469 1 69 no DBJ BAA05707 . "ribonuclease T1 [Aspergillus oryzae]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 70 no DBJ BAA08407 . "ribonuclease T1 [Aspergillus oryzae]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 71 no DBJ BAE64671 . "unnamed protein product [Aspergillus oryzae RIB40]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 72 no EMBL CAA30560 . "unnamed protein product [Aspergillus oryzae]" . . . . . 100.00 104 100.00 100.00 3.54e-68 . . . . 16469 1 73 no GB AAA72541 . "RNase T1 [synthetic construct]" . . . . . 100.00 105 99.04 100.00 1.25e-67 . . . . 16469 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 . . . . 16469 1 75 no GB EED52238 . "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 76 no GB EIT74451 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae 3.042]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 77 no GB KDE77875 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae 100-8]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 78 no REF XP_001825804 . "guanyl-specific ribonuclease T1 [Aspergillus oryzae RIB40]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 1 79 no REF XP_002377402 . "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" . . . . . 100.00 130 99.04 100.00 1.81e-68 . . . . 16469 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 . . . . 16469 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'guanine-specific ssRNA cleavage' 16469 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 . 16469 1 2 . CYS . 16469 1 3 . ASP . 16469 1 4 . TYR . 16469 1 5 . THR . 16469 1 6 . CYS . 16469 1 7 . GLY . 16469 1 8 . SER . 16469 1 9 . ASN . 16469 1 10 . CYS . 16469 1 11 . TYR . 16469 1 12 . SER . 16469 1 13 . SER . 16469 1 14 . SER . 16469 1 15 . ASP . 16469 1 16 . VAL . 16469 1 17 . SER . 16469 1 18 . THR . 16469 1 19 . ALA . 16469 1 20 . GLN . 16469 1 21 . ALA . 16469 1 22 . ALA . 16469 1 23 . GLY . 16469 1 24 . TYR . 16469 1 25 . LYS . 16469 1 26 . LEU . 16469 1 27 . HIS . 16469 1 28 . GLU . 16469 1 29 . ASP . 16469 1 30 . GLY . 16469 1 31 . GLU . 16469 1 32 . THR . 16469 1 33 . VAL . 16469 1 34 . GLY . 16469 1 35 . SER . 16469 1 36 . ASN . 16469 1 37 . SER . 16469 1 38 . TYR . 16469 1 39 . PRO . 16469 1 40 . HIS . 16469 1 41 . LYS . 16469 1 42 . TYR . 16469 1 43 . ASN . 16469 1 44 . ASN . 16469 1 45 . TYR . 16469 1 46 . GLU . 16469 1 47 . GLY . 16469 1 48 . PHE . 16469 1 49 . ASP . 16469 1 50 . PHE . 16469 1 51 . SER . 16469 1 52 . VAL . 16469 1 53 . SER . 16469 1 54 . SER . 16469 1 55 . PRO . 16469 1 56 . TYR . 16469 1 57 . TYR . 16469 1 58 . GLU . 16469 1 59 . TRP . 16469 1 60 . PRO . 16469 1 61 . ILE . 16469 1 62 . LEU . 16469 1 63 . SER . 16469 1 64 . SER . 16469 1 65 . GLY . 16469 1 66 . ASP . 16469 1 67 . VAL . 16469 1 68 . TYR . 16469 1 69 . SER . 16469 1 70 . GLY . 16469 1 71 . GLY . 16469 1 72 . SER . 16469 1 73 . PRO . 16469 1 74 . GLY . 16469 1 75 . ALA . 16469 1 76 . ASP . 16469 1 77 . ARG . 16469 1 78 . VAL . 16469 1 79 . VAL . 16469 1 80 . PHE . 16469 1 81 . ASN . 16469 1 82 . GLU . 16469 1 83 . ASN . 16469 1 84 . ASN . 16469 1 85 . GLN . 16469 1 86 . LEU . 16469 1 87 . ALA . 16469 1 88 . GLY . 16469 1 89 . VAL . 16469 1 90 . ILE . 16469 1 91 . THR . 16469 1 92 . HIS . 16469 1 93 . THR . 16469 1 94 . GLY . 16469 1 95 . ALA . 16469 1 96 . SER . 16469 1 97 . GLY . 16469 1 98 . ASN . 16469 1 99 . ASN . 16469 1 100 . PHE . 16469 1 101 . VAL . 16469 1 102 . GLU . 16469 1 103 . CYS . 16469 1 104 . THR . 16469 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 16469 1 . CYS 2 2 16469 1 . ASP 3 3 16469 1 . TYR 4 4 16469 1 . THR 5 5 16469 1 . CYS 6 6 16469 1 . GLY 7 7 16469 1 . SER 8 8 16469 1 . ASN 9 9 16469 1 . CYS 10 10 16469 1 . TYR 11 11 16469 1 . SER 12 12 16469 1 . SER 13 13 16469 1 . SER 14 14 16469 1 . ASP 15 15 16469 1 . VAL 16 16 16469 1 . SER 17 17 16469 1 . THR 18 18 16469 1 . ALA 19 19 16469 1 . GLN 20 20 16469 1 . ALA 21 21 16469 1 . ALA 22 22 16469 1 . GLY 23 23 16469 1 . TYR 24 24 16469 1 . LYS 25 25 16469 1 . LEU 26 26 16469 1 . HIS 27 27 16469 1 . GLU 28 28 16469 1 . ASP 29 29 16469 1 . GLY 30 30 16469 1 . GLU 31 31 16469 1 . THR 32 32 16469 1 . VAL 33 33 16469 1 . GLY 34 34 16469 1 . SER 35 35 16469 1 . ASN 36 36 16469 1 . SER 37 37 16469 1 . TYR 38 38 16469 1 . PRO 39 39 16469 1 . HIS 40 40 16469 1 . LYS 41 41 16469 1 . TYR 42 42 16469 1 . ASN 43 43 16469 1 . ASN 44 44 16469 1 . TYR 45 45 16469 1 . GLU 46 46 16469 1 . GLY 47 47 16469 1 . PHE 48 48 16469 1 . ASP 49 49 16469 1 . PHE 50 50 16469 1 . SER 51 51 16469 1 . VAL 52 52 16469 1 . SER 53 53 16469 1 . SER 54 54 16469 1 . PRO 55 55 16469 1 . TYR 56 56 16469 1 . TYR 57 57 16469 1 . GLU 58 58 16469 1 . TRP 59 59 16469 1 . PRO 60 60 16469 1 . ILE 61 61 16469 1 . LEU 62 62 16469 1 . SER 63 63 16469 1 . SER 64 64 16469 1 . GLY 65 65 16469 1 . ASP 66 66 16469 1 . VAL 67 67 16469 1 . TYR 68 68 16469 1 . SER 69 69 16469 1 . GLY 70 70 16469 1 . GLY 71 71 16469 1 . SER 72 72 16469 1 . PRO 73 73 16469 1 . GLY 74 74 16469 1 . ALA 75 75 16469 1 . ASP 76 76 16469 1 . ARG 77 77 16469 1 . VAL 78 78 16469 1 . VAL 79 79 16469 1 . PHE 80 80 16469 1 . ASN 81 81 16469 1 . GLU 82 82 16469 1 . ASN 83 83 16469 1 . ASN 84 84 16469 1 . GLN 85 85 16469 1 . LEU 86 86 16469 1 . ALA 87 87 16469 1 . GLY 88 88 16469 1 . VAL 89 89 16469 1 . ILE 90 90 16469 1 . THR 91 91 16469 1 . HIS 92 92 16469 1 . THR 93 93 16469 1 . GLY 94 94 16469 1 . ALA 95 95 16469 1 . SER 96 96 16469 1 . GLY 97 97 16469 1 . ASN 98 98 16469 1 . ASN 99 99 16469 1 . PHE 100 100 16469 1 . VAL 101 101 16469 1 . GLU 102 102 16469 1 . CYS 103 103 16469 1 . THR 104 104 16469 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 16469 _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 . Aspergillus oryzae . . . . . . . . . . . . . . . . . . . . . 16469 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 16469 _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 . . . . . . 16469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16469 _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 . . . . 16469 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16469 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16469 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 16469 _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 16469 1 pressure 1 . atm 16469 1 temperature 308 . K 16469 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16469 _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' . . 16469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16469 1 processing 16469 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 16469 _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 16469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 16469 2 'data analysis' 16469 2 'multiplet simulation' 16469 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 16469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16469 _NMR_spectrometer.ID 2 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16469 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details '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 16469 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 16469 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16469 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16469 1 2 spectrometer_2 Bruker DRX . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16469 1 3 spectrometer_3 Bruker Avance . 600 'cryogenic triple-resonance z-gradient probes' . . 16469 1 4 spectrometer_4 Bruker Avance . 800 'cryogenic triple-resonance z-gradient probes' . . 16469 1 5 spectrometer_5 Bruker Avance . 900 'cryogenic triple-resonance z-gradient probes' . . 16469 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 16469 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D-HA[HB,HN](CACO)NH quantitative J correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 2 3D-[15N,1H]-TROSY-(H)CANNH[CO]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16469 1 3 '3D-heteronuclear relayed E.COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 4 3D-[15N,1H]-TROSY-HNCA[CO]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16469 1 5 3D-[15N,1H]-TROSY-HNCA[CB]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16469 1 6 '3D-[15N,1H]-TROSY-HNCB quantitative J correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16469 1 7 3D-H(N)CA,CO[HA]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 8 3D-H(N)CA,CO[CO]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 9 '3D-[15N,1H]-TROSY-HN(CO)CO quantitative J correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 10 3D-H(N)CA,CO[CB]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16469 1 11 '3D-HN(CO)CB quantitative J correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16469 1 12 3D-H(N)CO,CA[CA]-E.COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16469 1 stop_ save_ ######################## # Coupling constants # ######################## save_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNHA _Coupling_constant_list.Entry_ID 16469 _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 . _Coupling_constant_list.Details ; cross/auto peak ratios were corrected to account for the 2H proportion. Here, D2O was at 10% conc., requiring ratios be divided by 0.9 or, alternatively, the raw J values multiplied by an average tan-squared factor of 1.049. The critical delay used was 17 ms. See Lohr et al., 1999. ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '3D-HA[HB,HN](CACO)NH quantitative J correlation' . . . 16469 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 3JHNHA . 1 1 2 2 CYS HN H 1 1 . 1 1 2 2 CYS HA H 1 1 2.07 . . 0.35 . . . . . . . . . . . 16469 1 2 3JHNHA . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP HA H 1 1 6.80 . . 0.35 . . . . . . . . . . . 16469 1 3 3JHNHA . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR HA H 1 1 8.74 . . 0.35 . . . . . . . . . . . 16469 1 4 3JHNHA . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR HA H 1 1 9.47 . . 0.35 . . . . . . . . . . . 16469 1 5 3JHNHA . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS HA H 1 1 7.88 . . 0.35 . . . . . . . . . . . 16469 1 6 3JHNHA . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER HA H 1 1 6.74 . . 0.35 . . . . . . . . . . . 16469 1 7 3JHNHA . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN HA H 1 1 8.52 . . 0.35 . . . . . . . . . . . 16469 1 8 3JHNHA . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1 9 3JHNHA . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR HA H 1 1 9.51 . . 0.35 . . . . . . . . . . . 16469 1 10 3JHNHA . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER HA H 1 1 7.91 . . 0.35 . . . . . . . . . . . 16469 1 11 3JHNHA . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER HA H 1 1 4.91 . . 0.35 . . . . . . . . . . . 16469 1 12 3JHNHA . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP HA H 1 1 4.30 . . 0.35 . . . . . . . . . . . 16469 1 13 3JHNHA . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL HA H 1 1 5.14 . . 0.35 . . . . . . . . . . . 16469 1 14 3JHNHA . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR HA H 1 1 3.63 . . 0.35 . . . . . . . . . . . 16469 1 15 3JHNHA . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA HA H 1 1 4.29 . . 0.35 . . . . . . . . . . . 16469 1 16 3JHNHA . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN HA H 1 1 3.08 . . 0.35 . . . . . . . . . . . 16469 1 17 3JHNHA . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA HA H 1 1 3.73 . . 0.35 . . . . . . . . . . . 16469 1 18 3JHNHA . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA HA H 1 1 5.33 . . 0.35 . . . . . . . . . . . 16469 1 19 3JHNHA . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR HA H 1 1 3.50 . . 0.35 . . . . . . . . . . . 16469 1 20 3JHNHA . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS HA H 1 1 4.13 . . 0.35 . . . . . . . . . . . 16469 1 21 3JHNHA . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU HA H 1 1 4.65 . . 0.35 . . . . . . . . . . . 16469 1 22 3JHNHA . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS HA H 1 1 6.88 . . 0.35 . . . . . . . . . . . 16469 1 23 3JHNHA . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU HA H 1 1 4.20 . . 0.35 . . . . . . . . . . . 16469 1 24 3JHNHA . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP HA H 1 1 5.83 . . 0.35 . . . . . . . . . . . 16469 1 25 3JHNHA . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU HA H 1 1 9.13 . . 0.35 . . . . . . . . . . . 16469 1 26 3JHNHA . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR HA H 1 1 8.77 . . 0.35 . . . . . . . . . . . 16469 1 27 3JHNHA . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL HA H 1 1 8.61 . . 0.35 . . . . . . . . . . . 16469 1 28 3JHNHA . 1 1 36 36 ASN HN H 1 1 . 1 1 36 36 ASN HA H 1 1 4.95 . . 0.35 . . . . . . . . . . . 16469 1 29 3JHNHA . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER HA H 1 1 6.54 . . 0.35 . . . . . . . . . . . 16469 1 30 3JHNHA . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS HA H 1 1 7.96 . . 0.35 . . . . . . . . . . . 16469 1 31 3JHNHA . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS HA H 1 1 2.54 . . 0.35 . . . . . . . . . . . 16469 1 32 3JHNHA . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR HA H 1 1 8.65 . . 0.35 . . . . . . . . . . . 16469 1 33 3JHNHA . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN HA H 1 1 5.63 . . 0.35 . . . . . . . . . . . 16469 1 34 3JHNHA . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR HA H 1 1 4.27 . . 0.35 . . . . . . . . . . . 16469 1 35 3JHNHA . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU HA H 1 1 4.11 . . 0.35 . . . . . . . . . . . 16469 1 36 3JHNHA . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE HA H 1 1 5.00 . . 0.35 . . . . . . . . . . . 16469 1 37 3JHNHA . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP HA H 1 1 7.50 . . 0.35 . . . . . . . . . . . 16469 1 38 3JHNHA . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE HA H 1 1 6.11 . . 0.35 . . . . . . . . . . . 16469 1 39 3JHNHA . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER HA H 1 1 6.72 . . 0.35 . . . . . . . . . . . 16469 1 40 3JHNHA . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL HA H 1 1 8.58 . . 0.35 . . . . . . . . . . . 16469 1 41 3JHNHA . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER HA H 1 1 4.00 . . 0.35 . . . . . . . . . . . 16469 1 42 3JHNHA . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR HA H 1 1 8.92 . . 0.35 . . . . . . . . . . . 16469 1 43 3JHNHA . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR HA H 1 1 9.30 . . 0.35 . . . . . . . . . . . 16469 1 44 3JHNHA . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU HA H 1 1 9.41 . . 0.35 . . . . . . . . . . . 16469 1 45 3JHNHA . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE HA H 1 1 7.84 . . 0.35 . . . . . . . . . . . 16469 1 46 3JHNHA . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1 47 3JHNHA . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER HA H 1 1 3.22 . . 0.35 . . . . . . . . . . . 16469 1 48 3JHNHA . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER HA H 1 1 4.89 . . 0.35 . . . . . . . . . . . 16469 1 49 3JHNHA . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP HA H 1 1 7.02 . . 0.35 . . . . . . . . . . . 16469 1 50 3JHNHA . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL HA H 1 1 7.55 . . 0.35 . . . . . . . . . . . 16469 1 51 3JHNHA . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR HA H 1 1 3.98 . . 0.35 . . . . . . . . . . . 16469 1 52 3JHNHA . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA HA H 1 1 6.68 . . 0.35 . . . . . . . . . . . 16469 1 53 3JHNHA . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP HA H 1 1 8.63 . . 0.35 . . . . . . . . . . . 16469 1 54 3JHNHA . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG HA H 1 1 9.44 . . 0.35 . . . . . . . . . . . 16469 1 55 3JHNHA . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL HA H 1 1 8.11 . . 0.35 . . . . . . . . . . . 16469 1 56 3JHNHA . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL HA H 1 1 9.86 . . 0.35 . . . . . . . . . . . 16469 1 57 3JHNHA . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE HA H 1 1 9.79 . . 0.35 . . . . . . . . . . . 16469 1 58 3JHNHA . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN HA H 1 1 9.76 . . 0.35 . . . . . . . . . . . 16469 1 59 3JHNHA . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 1 60 3JHNHA . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN HA H 1 1 9.12 . . 0.35 . . . . . . . . . . . 16469 1 61 3JHNHA . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN HA H 1 1 7.51 . . 0.35 . . . . . . . . . . . 16469 1 62 3JHNHA . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN HA H 1 1 9.01 . . 0.35 . . . . . . . . . . . 16469 1 63 3JHNHA . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU HA H 1 1 5.21 . . 0.35 . . . . . . . . . . . 16469 1 64 3JHNHA . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA HA H 1 1 8.27 . . 0.35 . . . . . . . . . . . 16469 1 65 3JHNHA . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL HA H 1 1 9.18 . . 0.35 . . . . . . . . . . . 16469 1 66 3JHNHA . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE HA H 1 1 8.96 . . 0.35 . . . . . . . . . . . 16469 1 67 3JHNHA . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR HA H 1 1 9.16 . . 0.35 . . . . . . . . . . . 16469 1 68 3JHNHA . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS HA H 1 1 7.69 . . 0.35 . . . . . . . . . . . 16469 1 69 3JHNHA . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR HA H 1 1 4.22 . . 0.35 . . . . . . . . . . . 16469 1 70 3JHNHA . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA HA H 1 1 7.74 . . 0.35 . . . . . . . . . . . 16469 1 71 3JHNHA . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER HA H 1 1 7.19 . . 0.35 . . . . . . . . . . . 16469 1 72 3JHNHA . 1 1 98 98 ASN HN H 1 1 . 1 1 98 98 ASN HA H 1 1 6.04 . . 0.35 . . . . . . . . . . . 16469 1 73 3JHNHA . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN HA H 1 1 6.85 . . 0.35 . . . . . . . . . . . 16469 1 74 3JHNHA . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE HA H 1 1 9.39 . . 0.35 . . . . . . . . . . . 16469 1 75 3JHNHA . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL HA H 1 1 8.46 . . 0.35 . . . . . . . . . . . 16469 1 76 3JHNHA . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU HA H 1 1 4.86 . . 0.35 . . . . . . . . . . . 16469 1 77 3JHNHA . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS HA H 1 1 7.77 . . 0.35 . . . . . . . . . . . 16469 1 stop_ save_ save_3JHNCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCO _Coupling_constant_list.Entry_ID 16469 _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 . _Coupling_constant_list.Details ; Lohr and Ruterjans, 1995 Wang and Bax, 1995 Schmidt et al., 1996 ; _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 3D-[15N,1H]-TROSY-(H)CANNH[CO]-E.COSY . . . 16469 2 3 '3D-heteronuclear relayed E.COSY' . . . 16469 2 4 3D-[15N,1H]-TROSY-HNCA[CO]-E.COSY . . . 16469 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 3JHNCO . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 2 2 3JHNCO . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR C C 13 1 0.99 . . 0.35 . . . . . . . . . . . 16469 2 3 3JHNCO . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR C C 13 1 0.23 . . 0.35 . . . . . . . . . . . 16469 2 4 3JHNCO . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS C C 13 1 0.61 . . 0.35 . . . . . . . . . . . 16469 2 5 3JHNCO . 1 1 7 7 GLY HN H 1 1 . 1 1 7 7 GLY C C 13 1 0.70 . . 0.35 . . . . . . . . . . . 16469 2 6 3JHNCO . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER C C 13 1 0.00 . . 0.35 . . . . . . . . . . . 16469 2 7 3JHNCO . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN C C 13 1 0.02 . . 0.35 . . . . . . . . . . . 16469 2 8 3JHNCO . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS C C 13 1 0.25 . . 0.35 . . . . . . . . . . . 16469 2 9 3JHNCO . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 2 10 3JHNCO . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER C C 13 1 -0.51 . . 0.35 . . . . . . . . . . . 16469 2 11 3JHNCO . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER C C 13 1 1.07 . . 0.35 . . . . . . . . . . . 16469 2 12 3JHNCO . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP C C 13 1 1.37 . . 0.35 . . . . . . . . . . . 16469 2 13 3JHNCO . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL C C 13 1 0.81 . . 0.35 . . . . . . . . . . . 16469 2 14 3JHNCO . 1 1 17 17 SER HN H 1 1 . 1 1 17 17 SER C C 13 1 1.49 . . 0.35 . . . . . . . . . . . 16469 2 15 3JHNCO . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR C C 13 1 1.45 . . 0.35 . . . . . . . . . . . 16469 2 16 3JHNCO . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA C C 13 1 0.94 . . 0.35 . . . . . . . . . . . 16469 2 17 3JHNCO . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN C C 13 1 1.81 . . 0.35 . . . . . . . . . . . 16469 2 18 3JHNCO . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA C C 13 1 1.84 . . 0.35 . . . . . . . . . . . 16469 2 19 3JHNCO . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA C C 13 1 0.77 . . 0.35 . . . . . . . . . . . 16469 2 20 3JHNCO . 1 1 23 23 GLY HN H 1 1 . 1 1 23 23 GLY C C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 2 21 3JHNCO . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR C C 13 1 1.56 . . 0.35 . . . . . . . . . . . 16469 2 22 3JHNCO . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS C C 13 1 1.50 . . 0.35 . . . . . . . . . . . 16469 2 23 3JHNCO . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU C C 13 1 0.97 . . 0.35 . . . . . . . . . . . 16469 2 24 3JHNCO . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS C C 13 1 1.35 . . 0.35 . . . . . . . . . . . 16469 2 25 3JHNCO . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU C C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 2 26 3JHNCO . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP C C 13 1 0.46 . . 0.35 . . . . . . . . . . . 16469 2 27 3JHNCO . 1 1 30 30 GLY HN H 1 1 . 1 1 30 30 GLY C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 2 28 3JHNCO . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU C C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 2 29 3JHNCO . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR C C 13 1 1.68 . . 0.35 . . . . . . . . . . . 16469 2 30 3JHNCO . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL C C 13 1 1.36 . . 0.35 . . . . . . . . . . . 16469 2 31 3JHNCO . 1 1 34 34 GLY HN H 1 1 . 1 1 34 34 GLY C C 13 1 0.21 . . 0.35 . . . . . . . . . . . 16469 2 32 3JHNCO . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER C C 13 1 3.36 . . 0.35 . . . . . . . . . . . 16469 2 33 3JHNCO . 1 1 38 38 TYR HN H 1 1 . 1 1 38 38 TYR C C 13 1 -0.21 . . 0.35 . . . . . . . . . . . 16469 2 34 3JHNCO . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS C C 13 1 1.85 . . 0.35 . . . . . . . . . . . 16469 2 35 3JHNCO . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS C C 13 1 2.04 . . 0.35 . . . . . . . . . . . 16469 2 36 3JHNCO . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 2 37 3JHNCO . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN C C 13 1 0.62 . . 0.35 . . . . . . . . . . . 16469 2 38 3JHNCO . 1 1 44 44 ASN HN H 1 1 . 1 1 44 44 ASN C C 13 1 2.66 . . 0.35 . . . . . . . . . . . 16469 2 39 3JHNCO . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR C C 13 1 1.12 . . 0.35 . . . . . . . . . . . 16469 2 40 3JHNCO . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU C C 13 1 1.36 . . 0.35 . . . . . . . . . . . 16469 2 41 3JHNCO . 1 1 47 47 GLY HN H 1 1 . 1 1 47 47 GLY C C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 2 42 3JHNCO . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE C C 13 1 0.42 . . 0.35 . . . . . . . . . . . 16469 2 43 3JHNCO . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP C C 13 1 0.26 . . 0.35 . . . . . . . . . . . 16469 2 44 3JHNCO . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 2 45 3JHNCO . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER C C 13 1 0.51 . . 0.35 . . . . . . . . . . . 16469 2 46 3JHNCO . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 2 47 3JHNCO . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER C C 13 1 1.28 . . 0.35 . . . . . . . . . . . 16469 2 48 3JHNCO . 1 1 54 54 SER HN H 1 1 . 1 1 54 54 SER C C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 2 49 3JHNCO . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 50 3JHNCO . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR C C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 2 51 3JHNCO . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU C C 13 1 0.07 . . 0.35 . . . . . . . . . . . 16469 2 52 3JHNCO . 1 1 59 59 TRP HN H 1 1 . 1 1 59 59 TRP C C 13 1 0.87 . . 0.35 . . . . . . . . . . . 16469 2 53 3JHNCO . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE C C 13 1 1.39 . . 0.35 . . . . . . . . . . . 16469 2 54 3JHNCO . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 55 3JHNCO . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER C C 13 1 2.16 . . 0.35 . . . . . . . . . . . 16469 2 56 3JHNCO . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER C C 13 1 1.01 . . 0.35 . . . . . . . . . . . 16469 2 57 3JHNCO . 1 1 65 65 GLY HN H 1 1 . 1 1 65 65 GLY C C 13 1 0.17 . . 0.35 . . . . . . . . . . . 16469 2 58 3JHNCO . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP C C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 2 59 3JHNCO . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 60 3JHNCO . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR C C 13 1 1.95 . . 0.35 . . . . . . . . . . . 16469 2 61 3JHNCO . 1 1 69 69 SER HN H 1 1 . 1 1 69 69 SER C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 2 62 3JHNCO . 1 1 74 74 GLY HN H 1 1 . 1 1 74 74 GLY C C 13 1 0.83 . . 0.35 . . . . . . . . . . . 16469 2 63 3JHNCO . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 64 3JHNCO . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP C C 13 1 -0.25 . . 0.35 . . . . . . . . . . . 16469 2 65 3JHNCO . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG C C 13 1 1.06 . . 0.35 . . . . . . . . . . . 16469 2 66 3JHNCO . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 2 67 3JHNCO . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL C C 13 1 0.28 . . 0.35 . . . . . . . . . . . 16469 2 68 3JHNCO . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE C C 13 1 1.70 . . 0.35 . . . . . . . . . . . 16469 2 69 3JHNCO . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN C C 13 1 -0.06 . . 0.35 . . . . . . . . . . . 16469 2 70 3JHNCO . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU C C 13 1 1.72 . . 0.35 . . . . . . . . . . . 16469 2 71 3JHNCO . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 72 3JHNCO . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN C C 13 1 1.90 . . 0.35 . . . . . . . . . . . 16469 2 73 3JHNCO . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN C C 13 1 -0.01 . . 0.35 . . . . . . . . . . . 16469 2 74 3JHNCO . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 2 75 3JHNCO . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA C C 13 1 -0.05 . . 0.35 . . . . . . . . . . . 16469 2 76 3JHNCO . 1 1 88 88 GLY HN H 1 1 . 1 1 88 88 GLY C C 13 1 2.99 . . 0.35 . . . . . . . . . . . 16469 2 77 3JHNCO . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL C C 13 1 1.20 . . 0.35 . . . . . . . . . . . 16469 2 78 3JHNCO . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE C C 13 1 1.33 . . 0.35 . . . . . . . . . . . 16469 2 79 3JHNCO . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR C C 13 1 1.50 . . 0.35 . . . . . . . . . . . 16469 2 80 3JHNCO . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS C C 13 1 0.15 . . 0.35 . . . . . . . . . . . 16469 2 81 3JHNCO . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR C C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 2 82 3JHNCO . 1 1 94 94 GLY HN H 1 1 . 1 1 94 94 GLY C C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 2 83 3JHNCO . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA C C 13 1 0.35 . . 0.35 . . . . . . . . . . . 16469 2 84 3JHNCO . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER C C 13 1 1.52 . . 0.35 . . . . . . . . . . . 16469 2 85 3JHNCO . 1 1 97 97 GLY HN H 1 1 . 1 1 97 97 GLY C C 13 1 2.76 . . 0.35 . . . . . . . . . . . 16469 2 86 3JHNCO . 1 1 98 98 ASN HN H 1 1 . 1 1 98 98 ASN C C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 2 87 3JHNCO . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN C C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 2 88 3JHNCO . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE C C 13 1 0.21 . . 0.35 . . . . . . . . . . . 16469 2 89 3JHNCO . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL C C 13 1 1.73 . . 0.35 . . . . . . . . . . . 16469 2 90 3JHNCO . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU C C 13 1 0.29 . . 0.35 . . . . . . . . . . . 16469 2 91 3JHNCO . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 92 3JHNCO . 1 1 104 104 THR HN H 1 1 . 1 1 104 104 THR C C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 2 stop_ save_ save_3JHNCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCB _Coupling_constant_list.Entry_ID 16469 _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 . _Coupling_constant_list.Details ; Wang and Bax, 1996 Lohr, unpublished (2nd expt) ; _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 5 3D-[15N,1H]-TROSY-HNCA[CB]-E.COSY . . . 16469 3 6 '3D-[15N,1H]-TROSY-HNCB quantitative J correlation' . . . 16469 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 3JHNCb . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP CB C 13 1 2.09 . . 0.35 . . . . . . . . . . . 16469 3 2 3JHNCb . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR CB C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 3 3 3JHNCb . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR CB C 13 1 1.01 . . 0.35 . . . . . . . . . . . 16469 3 4 3JHNCb . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS CB C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 3 5 3JHNCb . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER CB C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 3 6 3JHNCb . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN CB C 13 1 1.71 . . 0.35 . . . . . . . . . . . 16469 3 7 3JHNCb . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS CB C 13 1 1.53 . . 0.35 . . . . . . . . . . . 16469 3 8 3JHNCb . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR CB C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 3 9 3JHNCb . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER CB C 13 1 1.88 . . 0.35 . . . . . . . . . . . 16469 3 10 3JHNCb . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER CB C 13 1 1.77 . . 0.35 . . . . . . . . . . . 16469 3 11 3JHNCb . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP CB C 13 1 2.43 . . 0.35 . . . . . . . . . . . 16469 3 12 3JHNCb . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL CB C 13 1 2.64 . . 0.35 . . . . . . . . . . . 16469 3 13 3JHNCb . 1 1 17 17 SER HN H 1 1 . 1 1 17 17 SER CB C 13 1 2.68 . . 0.35 . . . . . . . . . . . 16469 3 14 3JHNCb . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR CB C 13 1 2.59 . . 0.35 . . . . . . . . . . . 16469 3 15 3JHNCb . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA CB C 13 1 2.81 . . 0.35 . . . . . . . . . . . 16469 3 16 3JHNCb . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN CB C 13 1 2.83 . . 0.35 . . . . . . . . . . . 16469 3 17 3JHNCb . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA CB C 13 1 2.92 . . 0.35 . . . . . . . . . . . 16469 3 18 3JHNCb . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA CB C 13 1 2.73 . . 0.35 . . . . . . . . . . . 16469 3 19 3JHNCb . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR CB C 13 1 2.74 . . 0.35 . . . . . . . . . . . 16469 3 20 3JHNCb . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 3 21 3JHNCb . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 3 22 3JHNCb . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS CB C 13 1 2.99 . . 0.35 . . . . . . . . . . . 16469 3 23 3JHNCb . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU CB C 13 1 2.37 . . 0.35 . . . . . . . . . . . 16469 3 24 3JHNCb . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 3 25 3JHNCb . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU CB C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 3 26 3JHNCb . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR CB C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 3 27 3JHNCb . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL CB C 13 1 0.43 . . 0.35 . . . . . . . . . . . 16469 3 28 3JHNCb . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER CB C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 3 29 3JHNCb . 1 1 38 38 TYR HN H 1 1 . 1 1 38 38 TYR CB C 13 1 1.20 . . 0.35 . . . . . . . . . . . 16469 3 30 3JHNCb . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS CB C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 3 31 3JHNCb . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS CB C 13 1 1.25 . . 0.35 . . . . . . . . . . . 16469 3 32 3JHNCb . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR CB C 13 1 1.10 . . 0.35 . . . . . . . . . . . 16469 3 33 3JHNCb . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 3 34 3JHNCb . 1 1 44 44 ASN HN H 1 1 . 1 1 44 44 ASN CB C 13 1 0.43 . . 0.35 . . . . . . . . . . . 16469 3 35 3JHNCb . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR CB C 13 1 2.31 . . 0.35 . . . . . . . . . . . 16469 3 36 3JHNCb . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 3 37 3JHNCb . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE CB C 13 1 2.42 . . 0.35 . . . . . . . . . . . 16469 3 38 3JHNCb . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP CB C 13 1 1.74 . . 0.35 . . . . . . . . . . . 16469 3 39 3JHNCb . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE CB C 13 1 2.04 . . 0.35 . . . . . . . . . . . 16469 3 40 3JHNCb . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER CB C 13 1 1.87 . . 0.35 . . . . . . . . . . . 16469 3 41 3JHNCb . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL CB C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 3 42 3JHNCb . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER CB C 13 1 2.66 . . 0.35 . . . . . . . . . . . 16469 3 43 3JHNCb . 1 1 54 54 SER HN H 1 1 . 1 1 54 54 SER CB C 13 1 2.58 . . 0.35 . . . . . . . . . . . 16469 3 44 3JHNCb . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR CB C 13 1 1.00 . . 0.35 . . . . . . . . . . . 16469 3 45 3JHNCb . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR CB C 13 1 0.74 . . 0.35 . . . . . . . . . . . 16469 3 46 3JHNCb . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU CB C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 3 47 3JHNCb . 1 1 59 59 TRP HN H 1 1 . 1 1 59 59 TRP CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 3 48 3JHNCb . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE CB C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 3 49 3JHNCb . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU CB C 13 1 1.34 . . 0.35 . . . . . . . . . . . 16469 3 50 3JHNCb . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER CB C 13 1 2.57 . . 0.35 . . . . . . . . . . . 16469 3 51 3JHNCb . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER CB C 13 1 2.48 . . 0.35 . . . . . . . . . . . 16469 3 52 3JHNCb . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP CB C 13 1 2.07 . . 0.35 . . . . . . . . . . . 16469 3 53 3JHNCb . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL CB C 13 1 2.03 . . 0.35 . . . . . . . . . . . 16469 3 54 3JHNCb . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR CB C 13 1 3.05 . . 0.35 . . . . . . . . . . . 16469 3 55 3JHNCb . 1 1 69 69 SER HN H 1 1 . 1 1 69 69 SER CB C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 3 56 3JHNCb . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA CB C 13 1 2.25 . . 0.35 . . . . . . . . . . . 16469 3 57 3JHNCb . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP CB C 13 1 1.59 . . 0.35 . . . . . . . . . . . 16469 3 58 3JHNCb . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG CB C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 3 59 3JHNCb . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL CB C 13 1 0.76 . . 0.35 . . . . . . . . . . . 16469 3 60 3JHNCb . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL CB C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 3 61 3JHNCb . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE CB C 13 1 0.02 . . 0.35 . . . . . . . . . . . 16469 3 62 3JHNCb . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN CB C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 3 63 3JHNCb . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU CB C 13 1 2.32 . . 0.35 . . . . . . . . . . . 16469 3 64 3JHNCb . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN CB C 13 1 1.23 . . 0.35 . . . . . . . . . . . 16469 3 65 3JHNCb . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN CB C 13 1 1.13 . . 0.35 . . . . . . . . . . . 16469 3 66 3JHNCb . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN CB C 13 1 1.23 . . 0.35 . . . . . . . . . . . 16469 3 67 3JHNCb . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 3 68 3JHNCb . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA CB C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 3 69 3JHNCb . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL CB C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 3 70 3JHNCb . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE CB C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 3 71 3JHNCb . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR CB C 13 1 0.40 . . 0.35 . . . . . . . . . . . 16469 3 72 3JHNCb . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS CB C 13 1 2.27 . . 0.35 . . . . . . . . . . . 16469 3 73 3JHNCb . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR CB C 13 1 2.43 . . 0.35 . . . . . . . . . . . 16469 3 74 3JHNCb . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA CB C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 3 75 3JHNCb . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER CB C 13 1 1.60 . . 0.35 . . . . . . . . . . . 16469 3 76 3JHNCb . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN CB C 13 1 1.78 . . 0.35 . . . . . . . . . . . 16469 3 77 3JHNCb . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE CB C 13 1 1.08 . . 0.35 . . . . . . . . . . . 16469 3 78 3JHNCb . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL CB C 13 1 0.11 . . 0.35 . . . . . . . . . . . 16469 3 79 3JHNCb . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU CB C 13 1 2.35 . . 0.35 . . . . . . . . . . . 16469 3 80 3JHNCb . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS CB C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 3 81 3JHNCb . 1 1 104 104 THR HN H 1 1 . 1 1 104 104 THR CB C 13 1 1.19 . . 0.35 . . . . . . . . . . . 16469 3 stop_ save_ save_3JCOHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOHA _Coupling_constant_list.Entry_ID 16469 _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 . _Coupling_constant_list.Details 'Lohr et al., 1997' _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 7 3D-H(N)CA,CO[HA]-E.COSY . . . 16469 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 3JCOHa . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP HA H 1 1 1.71 . . 0.35 . . . . . . . . . . . 16469 4 2 3JCOHa . 1 1 3 3 ASP C C 13 1 . 1 1 4 4 TYR HA H 1 1 3.04 . . 0.35 . . . . . . . . . . . 16469 4 3 3JCOHa . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR HA H 1 1 3.17 . . 0.35 . . . . . . . . . . . 16469 4 4 3JCOHa . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS HA H 1 1 3.20 . . 0.35 . . . . . . . . . . . 16469 4 5 3JCOHa . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER HA H 1 1 3.11 . . 0.35 . . . . . . . . . . . 16469 4 6 3JCOHa . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN HA H 1 1 2.06 . . 0.35 . . . . . . . . . . . 16469 4 7 3JCOHa . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS HA H 1 1 2.50 . . 0.35 . . . . . . . . . . . 16469 4 8 3JCOHa . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR HA H 1 1 3.02 . . 0.35 . . . . . . . . . . . 16469 4 9 3JCOHa . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER HA H 1 1 0.96 . . 0.35 . . . . . . . . . . . 16469 4 10 3JCOHa . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER HA H 1 1 1.88 . . 0.35 . . . . . . . . . . . 16469 4 11 3JCOHa . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP HA H 1 1 1.29 . . 0.35 . . . . . . . . . . . 16469 4 12 3JCOHa . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL HA H 1 1 1.31 . . 0.35 . . . . . . . . . . . 16469 4 13 3JCOHa . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER HA H 1 1 1.34 . . 0.35 . . . . . . . . . . . 16469 4 14 3JCOHa . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR HA H 1 1 1.27 . . 0.35 . . . . . . . . . . . 16469 4 15 3JCOHa . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA HA H 1 1 1.26 . . 0.35 . . . . . . . . . . . 16469 4 16 3JCOHa . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN HA H 1 1 1.08 . . 0.35 . . . . . . . . . . . 16469 4 17 3JCOHa . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA HA H 1 1 1.19 . . 0.35 . . . . . . . . . . . 16469 4 18 3JCOHa . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA HA H 1 1 0.79 . . 0.35 . . . . . . . . . . . 16469 4 19 3JCOHa . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR HA H 1 1 1.37 . . 0.35 . . . . . . . . . . . 16469 4 20 3JCOHa . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS HA H 1 1 1.17 . . 0.35 . . . . . . . . . . . 16469 4 21 3JCOHa . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU HA H 1 1 -0.59 . . 0.35 . . . . . . . . . . . 16469 4 22 3JCOHa . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS HA H 1 1 -0.58 . . 0.35 . . . . . . . . . . . 16469 4 23 3JCOHa . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU HA H 1 1 -0.07 . . 0.35 . . . . . . . . . . . 16469 4 24 3JCOHa . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP HA H 1 1 2.19 . . 0.35 . . . . . . . . . . . 16469 4 25 3JCOHa . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 26 3JCOHa . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR HA H 1 1 3.00 . . 0.35 . . . . . . . . . . . 16469 4 27 3JCOHa . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL HA H 1 1 3.29 . . 0.35 . . . . . . . . . . . 16469 4 28 3JCOHa . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER HA H 1 1 6.24 . . 0.35 . . . . . . . . . . . 16469 4 29 3JCOHa . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR HA H 1 1 2.21 . . 0.35 . . . . . . . . . . . 16469 4 30 3JCOHa . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 4 31 3JCOHa . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS HA H 1 1 0.58 . . 0.35 . . . . . . . . . . . 16469 4 32 3JCOHa . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR HA H 1 1 2.98 . . 0.35 . . . . . . . . . . . 16469 4 33 3JCOHa . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN HA H 1 1 2.81 . . 0.35 . . . . . . . . . . . 16469 4 34 3JCOHa . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN HA H 1 1 6.67 . . 0.35 . . . . . . . . . . . 16469 4 35 3JCOHa . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR HA H 1 1 1.66 . . 0.35 . . . . . . . . . . . 16469 4 36 3JCOHa . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU HA H 1 1 -0.34 . . 0.35 . . . . . . . . . . . 16469 4 37 3JCOHa . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE HA H 1 1 1.31 . . 0.35 . . . . . . . . . . . 16469 4 38 3JCOHa . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP HA H 1 1 3.09 . . 0.35 . . . . . . . . . . . 16469 4 39 3JCOHa . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE HA H 1 1 1.78 . . 0.35 . . . . . . . . . . . 16469 4 40 3JCOHa . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER HA H 1 1 3.48 . . 0.35 . . . . . . . . . . . 16469 4 41 3JCOHa . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL HA H 1 1 2.56 . . 0.35 . . . . . . . . . . . 16469 4 42 3JCOHa . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER HA H 1 1 2.41 . . 0.35 . . . . . . . . . . . 16469 4 43 3JCOHa . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER HA H 1 1 1.68 . . 0.35 . . . . . . . . . . . 16469 4 44 3JCOHa . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR HA H 1 1 2.90 . . 0.35 . . . . . . . . . . . 16469 4 45 3JCOHa . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR HA H 1 1 2.98 . . 0.35 . . . . . . . . . . . 16469 4 46 3JCOHa . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU HA H 1 1 2.79 . . 0.35 . . . . . . . . . . . 16469 4 47 3JCOHa . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP HA H 1 1 2.58 . . 0.35 . . . . . . . . . . . 16469 4 48 3JCOHa . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE HA H 1 1 3.00 . . 0.35 . . . . . . . . . . . 16469 4 49 3JCOHa . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU HA H 1 1 3.30 . . 0.35 . . . . . . . . . . . 16469 4 50 3JCOHa . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER HA H 1 1 2.19 . . 0.35 . . . . . . . . . . . 16469 4 51 3JCOHa . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER HA H 1 1 2.00 . . 0.35 . . . . . . . . . . . 16469 4 52 3JCOHa . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP HA H 1 1 1.59 . . 0.35 . . . . . . . . . . . 16469 4 53 3JCOHa . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL HA H 1 1 2.24 . . 0.35 . . . . . . . . . . . 16469 4 54 3JCOHa . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR HA H 1 1 1.61 . . 0.35 . . . . . . . . . . . 16469 4 55 3JCOHa . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER HA H 1 1 2.93 . . 0.35 . . . . . . . . . . . 16469 4 56 3JCOHa . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 4 57 3JCOHa . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP HA H 1 1 3.04 . . 0.35 . . . . . . . . . . . 16469 4 58 3JCOHa . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 59 3JCOHa . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL HA H 1 1 3.05 . . 0.35 . . . . . . . . . . . 16469 4 60 3JCOHa . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL HA H 1 1 3.02 . . 0.35 . . . . . . . . . . . 16469 4 61 3JCOHa . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE HA H 1 1 2.90 . . 0.35 . . . . . . . . . . . 16469 4 62 3JCOHa . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN HA H 1 1 3.99 . . 0.35 . . . . . . . . . . . 16469 4 63 3JCOHa . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU HA H 1 1 1.13 . . 0.35 . . . . . . . . . . . 16469 4 64 3JCOHa . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN HA H 1 1 2.58 . . 0.35 . . . . . . . . . . . 16469 4 65 3JCOHa . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN HA H 1 1 7.07 . . 0.35 . . . . . . . . . . . 16469 4 66 3JCOHa . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN HA H 1 1 2.11 . . 0.35 . . . . . . . . . . . 16469 4 67 3JCOHa . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU HA H 1 1 1.45 . . 0.35 . . . . . . . . . . . 16469 4 68 3JCOHa . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA HA H 1 1 2.93 . . 0.35 . . . . . . . . . . . 16469 4 69 3JCOHa . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 70 3JCOHa . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE HA H 1 1 3.17 . . 0.35 . . . . . . . . . . . 16469 4 71 3JCOHa . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR HA H 1 1 0.56 . . 0.35 . . . . . . . . . . . 16469 4 72 3JCOHa . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS HA H 1 1 2.27 . . 0.35 . . . . . . . . . . . 16469 4 73 3JCOHa . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR HA H 1 1 1.42 . . 0.35 . . . . . . . . . . . 16469 4 74 3JCOHa . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA HA H 1 1 2.33 . . 0.35 . . . . . . . . . . . 16469 4 75 3JCOHa . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER HA H 1 1 2.69 . . 0.35 . . . . . . . . . . . 16469 4 76 3JCOHa . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN HA H 1 1 2.65 . . 0.35 . . . . . . . . . . . 16469 4 77 3JCOHa . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN HA H 1 1 2.43 . . 0.35 . . . . . . . . . . . 16469 4 78 3JCOHa . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE HA H 1 1 2.96 . . 0.35 . . . . . . . . . . . 16469 4 79 3JCOHa . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL HA H 1 1 3.11 . . 0.35 . . . . . . . . . . . 16469 4 80 3JCOHa . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU HA H 1 1 1.87 . . 0.35 . . . . . . . . . . . 16469 4 81 3JCOHa . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS HA H 1 1 1.27 . . 0.35 . . . . . . . . . . . 16469 4 82 3JCOHa . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR HA H 1 1 3.08 . . 0.35 . . . . . . . . . . . 16469 4 stop_ save_ save_3JCOCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCO _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 5 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Lohr et al., 1997 Hu and Bax, 1996 ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 8 3D-H(N)CA,CO[CO]-E.COSY . . . 16469 5 9 '3D-[15N,1H]-TROSY-HN(CO)CO quantitative J correlation' . . . 16469 5 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JCOCO . 1 1 1 1 ALA C C 13 1 . 1 1 2 2 CYS C C 13 1 1.31 . . 0.35 . . . . . . . . . . . 16469 5 2 3JCOCO . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 5 3 3JCOCO . 1 1 3 3 ASP C C 13 1 . 1 1 4 4 TYR C C 13 1 1.87 . . 0.35 . . . . . . . . . . . 16469 5 4 3JCOCO . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR C C 13 1 1.30 . . 0.35 . . . . . . . . . . . 16469 5 5 3JCOCO . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS C C 13 1 1.18 . . 0.35 . . . . . . . . . . . 16469 5 6 3JCOCO . 1 1 6 6 CYS C C 13 1 . 1 1 7 7 GLY C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 7 3JCOCO . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER C C 13 1 0.93 . . 0.35 . . . . . . . . . . . 16469 5 8 3JCOCO . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 9 3JCOCO . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS C C 13 1 1.10 . . 0.35 . . . . . . . . . . . 16469 5 10 3JCOCO . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR C C 13 1 1.45 . . 0.35 . . . . . . . . . . . 16469 5 11 3JCOCO . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 5 12 3JCOCO . 1 1 12 12 SER C C 13 1 . 1 1 13 13 SER C C 13 1 0.29 . . 0.35 . . . . . . . . . . . 16469 5 13 3JCOCO . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 14 3JCOCO . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 15 3JCOCO . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL C C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 5 16 3JCOCO . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER C C 13 1 0.45 . . 0.35 . . . . . . . . . . . 16469 5 17 3JCOCO . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 5 18 3JCOCO . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 19 3JCOCO . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN C C 13 1 0.76 . . 0.35 . . . . . . . . . . . 16469 5 20 3JCOCO . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 5 21 3JCOCO . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA C C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 5 22 3JCOCO . 1 1 22 22 ALA C C 13 1 . 1 1 23 23 GLY C C 13 1 0.53 . . 0.35 . . . . . . . . . . . 16469 5 23 3JCOCO . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 24 3JCOCO . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 25 3JCOCO . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 26 3JCOCO . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 27 3JCOCO . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU C C 13 1 0.34 . . 0.35 . . . . . . . . . . . 16469 5 28 3JCOCO . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 5 29 3JCOCO . 1 1 29 29 ASP C C 13 1 . 1 1 30 30 GLY C C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 5 30 3JCOCO . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU C C 13 1 1.38 . . 0.35 . . . . . . . . . . . 16469 5 31 3JCOCO . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR C C 13 1 2.10 . . 0.35 . . . . . . . . . . . 16469 5 32 3JCOCO . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL C C 13 1 2.22 . . 0.35 . . . . . . . . . . . 16469 5 33 3JCOCO . 1 1 33 33 VAL C C 13 1 . 1 1 34 34 GLY C C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 5 34 3JCOCO . 1 1 35 35 SER C C 13 1 . 1 1 36 36 ASN C C 13 1 1.25 . . 0.35 . . . . . . . . . . . 16469 5 35 3JCOCO . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 5 36 3JCOCO . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 37 3JCOCO . 1 1 38 38 TYR C C 13 1 . 1 1 39 39 PRO C C 13 1 1.74 . . 0.35 . . . . . . . . . . . 16469 5 38 3JCOCO . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS C C 13 1 1.71 . . 0.35 . . . . . . . . . . . 16469 5 39 3JCOCO . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 40 3JCOCO . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR C C 13 1 1.21 . . 0.35 . . . . . . . . . . . 16469 5 41 3JCOCO . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN C C 13 1 0.44 . . 0.35 . . . . . . . . . . . 16469 5 42 3JCOCO . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN C C 13 1 1.06 . . 0.35 . . . . . . . . . . . 16469 5 43 3JCOCO . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR C C 13 1 0.48 . . 0.35 . . . . . . . . . . . 16469 5 44 3JCOCO . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU C C 13 1 0.44 . . 0.35 . . . . . . . . . . . 16469 5 45 3JCOCO . 1 1 46 46 GLU C C 13 1 . 1 1 47 47 GLY C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 46 3JCOCO . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE C C 13 1 0.22 . . 0.35 . . . . . . . . . . . 16469 5 47 3JCOCO . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP C C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 5 48 3JCOCO . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 49 3JCOCO . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 5 50 3JCOCO . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 51 3JCOCO . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER C C 13 1 0.62 . . 0.35 . . . . . . . . . . . 16469 5 52 3JCOCO . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 53 3JCOCO . 1 1 54 54 SER C C 13 1 . 1 1 55 55 PRO C C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 5 54 3JCOCO . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR C C 13 1 1.11 . . 0.35 . . . . . . . . . . . 16469 5 55 3JCOCO . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR C C 13 1 1.98 . . 0.35 . . . . . . . . . . . 16469 5 56 3JCOCO . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU C C 13 1 0.94 . . 0.35 . . . . . . . . . . . 16469 5 57 3JCOCO . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP C C 13 1 2.92 . . 0.35 . . . . . . . . . . . 16469 5 58 3JCOCO . 1 1 59 59 TRP C C 13 1 . 1 1 60 60 PRO C C 13 1 1.02 . . 0.35 . . . . . . . . . . . 16469 5 59 3JCOCO . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE C C 13 1 1.34 . . 0.35 . . . . . . . . . . . 16469 5 60 3JCOCO . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU C C 13 1 0.88 . . 0.35 . . . . . . . . . . . 16469 5 61 3JCOCO . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER C C 13 1 0.49 . . 0.35 . . . . . . . . . . . 16469 5 62 3JCOCO . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 5 63 3JCOCO . 1 1 64 64 SER C C 13 1 . 1 1 65 65 GLY C C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 5 64 3JCOCO . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP C C 13 1 0.85 . . 0.35 . . . . . . . . . . . 16469 5 65 3JCOCO . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL C C 13 1 0.58 . . 0.35 . . . . . . . . . . . 16469 5 66 3JCOCO . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR C C 13 1 0.51 . . 0.35 . . . . . . . . . . . 16469 5 67 3JCOCO . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER C C 13 1 2.69 . . 0.35 . . . . . . . . . . . 16469 5 68 3JCOCO . 1 1 73 73 PRO C C 13 1 . 1 1 74 74 GLY C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 69 3JCOCO . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 70 3JCOCO . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 71 3JCOCO . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG C C 13 1 2.08 . . 0.35 . . . . . . . . . . . 16469 5 72 3JCOCO . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 5 73 3JCOCO . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 74 3JCOCO . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE C C 13 1 1.84 . . 0.35 . . . . . . . . . . . 16469 5 75 3JCOCO . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN C C 13 1 1.18 . . 0.35 . . . . . . . . . . . 16469 5 76 3JCOCO . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU C C 13 1 0.65 . . 0.35 . . . . . . . . . . . 16469 5 77 3JCOCO . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 78 3JCOCO . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 79 3JCOCO . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN C C 13 1 0.81 . . 0.35 . . . . . . . . . . . 16469 5 80 3JCOCO . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU C C 13 1 0.45 . . 0.35 . . . . . . . . . . . 16469 5 81 3JCOCO . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA C C 13 1 0.87 . . 0.35 . . . . . . . . . . . 16469 5 82 3JCOCO . 1 1 87 87 ALA C C 13 1 . 1 1 88 88 GLY C C 13 1 2.91 . . 0.35 . . . . . . . . . . . 16469 5 83 3JCOCO . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 84 3JCOCO . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE C C 13 1 2.08 . . 0.35 . . . . . . . . . . . 16469 5 85 3JCOCO . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR C C 13 1 2.84 . . 0.35 . . . . . . . . . . . 16469 5 86 3JCOCO . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 87 3JCOCO . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR C C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 5 88 3JCOCO . 1 1 93 93 THR C C 13 1 . 1 1 94 94 GLY C C 13 1 0.48 . . 0.35 . . . . . . . . . . . 16469 5 89 3JCOCO . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA C C 13 1 0.85 . . 0.35 . . . . . . . . . . . 16469 5 90 3JCOCO . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER C C 13 1 0.88 . . 0.35 . . . . . . . . . . . 16469 5 91 3JCOCO . 1 1 96 96 SER C C 13 1 . 1 1 97 97 GLY C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 5 92 3JCOCO . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN C C 13 1 1.03 . . 0.35 . . . . . . . . . . . 16469 5 93 3JCOCO . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN C C 13 1 0.96 . . 0.35 . . . . . . . . . . . 16469 5 94 3JCOCO . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE C C 13 1 1.39 . . 0.35 . . . . . . . . . . . 16469 5 95 3JCOCO . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL C C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 5 96 3JCOCO . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU C C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 5 97 3JCOCO . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 5 98 3JCOCO . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR C C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 5 stop_ save_ save_3JCOCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCB _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 6 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Lohr et al., 1997 Hu and Bax, 1997 Lohr, unpublished (3rd expt) ; _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 10 3D-H(N)CA,CO[CB]-E.COSY . . . 16469 6 11 '3D-HN(CO)CB quantitative J correlation' . . . 16469 6 12 3D-H(N)CO,CA[CA]-E.COSY . . . 16469 6 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JCOCb . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 6 2 3JCOCb . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR CB C 13 1 0.98 . . 0.35 . . . . . . . . . . . 16469 6 3 3JCOCb . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS CB C 13 1 1.30 . . 0.35 . . . . . . . . . . . 16469 6 4 3JCOCb . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER CB C 13 1 1.76 . . 0.35 . . . . . . . . . . . 16469 6 5 3JCOCb . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 6 6 3JCOCb . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS CB C 13 1 1.59 . . 0.35 . . . . . . . . . . . 16469 6 7 3JCOCb . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR CB C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 6 8 3JCOCb . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER CB C 13 1 2.31 . . 0.35 . . . . . . . . . . . 16469 6 9 3JCOCb . 1 1 12 12 SER C C 13 1 . 1 1 13 13 SER CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 6 10 3JCOCb . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER CB C 13 1 2.19 . . 0.35 . . . . . . . . . . . 16469 6 11 3JCOCb . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP CB C 13 1 2.72 . . 0.35 . . . . . . . . . . . 16469 6 12 3JCOCb . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL CB C 13 1 2.51 . . 0.35 . . . . . . . . . . . 16469 6 13 3JCOCb . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER CB C 13 1 2.55 . . 0.35 . . . . . . . . . . . 16469 6 14 3JCOCb . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR CB C 13 1 2.45 . . 0.35 . . . . . . . . . . . 16469 6 15 3JCOCb . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA CB C 13 1 2.88 . . 0.35 . . . . . . . . . . . 16469 6 16 3JCOCb . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN CB C 13 1 2.96 . . 0.35 . . . . . . . . . . . 16469 6 17 3JCOCb . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA CB C 13 1 2.91 . . 0.35 . . . . . . . . . . . 16469 6 18 3JCOCb . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA CB C 13 1 2.84 . . 0.35 . . . . . . . . . . . 16469 6 19 3JCOCb . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 6 20 3JCOCb . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS CB C 13 1 2.62 . . 0.35 . . . . . . . . . . . 16469 6 21 3JCOCb . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU CB C 13 1 2.39 . . 0.35 . . . . . . . . . . . 16469 6 22 3JCOCb . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS CB C 13 1 2.75 . . 0.35 . . . . . . . . . . . 16469 6 23 3JCOCb . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU CB C 13 1 2.29 . . 0.35 . . . . . . . . . . . 16469 6 24 3JCOCb . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 6 25 3JCOCb . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU CB C 13 1 1.17 . . 0.35 . . . . . . . . . . . 16469 6 26 3JCOCb . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR CB C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 6 27 3JCOCb . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL CB C 13 1 0.59 . . 0.35 . . . . . . . . . . . 16469 6 28 3JCOCb . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 6 29 3JCOCb . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR CB C 13 1 1.80 . . 0.35 . . . . . . . . . . . 16469 6 30 3JCOCb . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS CB C 13 1 0.96 . . 0.35 . . . . . . . . . . . 16469 6 31 3JCOCb . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS CB C 13 1 3.46 . . 0.35 . . . . . . . . . . . 16469 6 32 3JCOCb . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR CB C 13 1 1.28 . . 0.35 . . . . . . . . . . . 16469 6 33 3JCOCb . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN CB C 13 1 2.21 . . 0.35 . . . . . . . . . . . 16469 6 34 3JCOCb . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN CB C 13 1 0.30 . . 0.35 . . . . . . . . . . . 16469 6 35 3JCOCb . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR CB C 13 1 2.42 . . 0.35 . . . . . . . . . . . 16469 6 36 3JCOCb . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 6 37 3JCOCb . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 6 38 3JCOCb . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP CB C 13 1 2.00 . . 0.35 . . . . . . . . . . . 16469 6 39 3JCOCb . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE CB C 13 1 2.40 . . 0.35 . . . . . . . . . . . 16469 6 40 3JCOCb . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER CB C 13 1 1.67 . . 0.35 . . . . . . . . . . . 16469 6 41 3JCOCb . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL CB C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 6 42 3JCOCb . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER CB C 13 1 2.59 . . 0.35 . . . . . . . . . . . 16469 6 43 3JCOCb . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER CB C 13 1 2.68 . . 0.35 . . . . . . . . . . . 16469 6 44 3JCOCb . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR CB C 13 1 1.33 . . 0.35 . . . . . . . . . . . 16469 6 45 3JCOCb . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR CB C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 6 46 3JCOCb . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU CB C 13 1 1.70 . . 0.35 . . . . . . . . . . . 16469 6 47 3JCOCb . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP CB C 13 1 0.53 . . 0.35 . . . . . . . . . . . 16469 6 48 3JCOCb . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE CB C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 6 49 3JCOCb . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU CB C 13 1 1.53 . . 0.35 . . . . . . . . . . . 16469 6 50 3JCOCb . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER CB C 13 1 2.27 . . 0.35 . . . . . . . . . . . 16469 6 51 3JCOCb . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER CB C 13 1 2.15 . . 0.35 . . . . . . . . . . . 16469 6 52 3JCOCb . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP CB C 13 1 2.35 . . 0.35 . . . . . . . . . . . 16469 6 53 3JCOCb . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL CB C 13 1 2.26 . . 0.35 . . . . . . . . . . . 16469 6 54 3JCOCb . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR CB C 13 1 3.00 . . 0.35 . . . . . . . . . . . 16469 6 55 3JCOCb . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER CB C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 6 56 3JCOCb . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA CB C 13 1 2.16 . . 0.35 . . . . . . . . . . . 16469 6 57 3JCOCb . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP CB C 13 1 1.56 . . 0.35 . . . . . . . . . . . 16469 6 58 3JCOCb . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 6 59 3JCOCb . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL CB C 13 1 2.10 . . 0.35 . . . . . . . . . . . 16469 6 60 3JCOCb . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL CB C 13 1 1.02 . . 0.35 . . . . . . . . . . . 16469 6 61 3JCOCb . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE CB C 13 1 0.77 . . 0.35 . . . . . . . . . . . 16469 6 62 3JCOCb . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN CB C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 6 63 3JCOCb . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU CB C 13 1 2.52 . . 0.35 . . . . . . . . . . . 16469 6 64 3JCOCb . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN CB C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 6 65 3JCOCb . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN CB C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 6 66 3JCOCb . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN CB C 13 1 1.62 . . 0.35 . . . . . . . . . . . 16469 6 67 3JCOCb . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU CB C 13 1 2.44 . . 0.35 . . . . . . . . . . . 16469 6 68 3JCOCb . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA CB C 13 1 1.95 . . 0.35 . . . . . . . . . . . 16469 6 69 3JCOCb . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL CB C 13 1 0.93 . . 0.35 . . . . . . . . . . . 16469 6 70 3JCOCb . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE CB C 13 1 0.66 . . 0.35 . . . . . . . . . . . 16469 6 71 3JCOCb . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR CB C 13 1 0.65 . . 0.35 . . . . . . . . . . . 16469 6 72 3JCOCb . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS CB C 13 1 2.62 . . 0.35 . . . . . . . . . . . 16469 6 73 3JCOCb . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR CB C 13 1 2.48 . . 0.35 . . . . . . . . . . . 16469 6 74 3JCOCb . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA CB C 13 1 1.89 . . 0.35 . . . . . . . . . . . 16469 6 75 3JCOCb . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER CB C 13 1 1.86 . . 0.35 . . . . . . . . . . . 16469 6 76 3JCOCb . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN CB C 13 1 2.20 . . 0.35 . . . . . . . . . . . 16469 6 77 3JCOCb . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN CB C 13 1 2.05 . . 0.35 . . . . . . . . . . . 16469 6 78 3JCOCb . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE CB C 13 1 0.95 . . 0.35 . . . . . . . . . . . 16469 6 79 3JCOCb . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL CB C 13 1 0.83 . . 0.35 . . . . . . . . . . . 16469 6 80 3JCOCb . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU CB C 13 1 2.52 . . 0.35 . . . . . . . . . . . 16469 6 81 3JCOCb . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS CB C 13 1 2.22 . . 0.35 . . . . . . . . . . . 16469 6 82 3JCOCb . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR CB C 13 1 1.38 . . 0.35 . . . . . . . . . . . 16469 6 stop_ save_