data_15724 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15724 _Entry.Title ; 3J coupling constants related to the phi-torsions in oxidised Flavodoxin from Desulfovibrio vulgaris (Hildenborough) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-13 _Entry.Accession_date 2008-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The flavodoxin protein chain starts with residue 2 (no Met-1 present), all J coupling indeces refer to the 2-148 sequence numbering' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jurgen Schmidt . M. . 15724 2 Frank Lohr . . . 15724 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 6 15724 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 800 15724 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 4 . . 2010-03-24 2008-04-13 update author 'correct coupling constants, etc' 15724 3 . . 2009-09-22 2008-04-13 update author 'correct coupling constants, etc' 15724 2 . . 2008-04-29 2008-04-13 update author 'correct experiment names, etc.' 15724 1 . . 2008-04-22 2008-04-13 original author 'original release' 15724 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5571 'chemical shift assignments oxidized flavodoxin' 15724 BMRB 5540 'chemical shift assignments reduced flavodoxin' 15724 BMRB 15725 '3J coupling constants chi1-torsion oxidized flavodoxin' 15724 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15724 _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 'Self-consistent 3J coupling analysis for the joint calibration of Karplus coefficients and evaluation of torsion angles' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _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 1 _Citation.Page_last 12 _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 Jurgen Schmidt . M. . 15724 1 2 Markus Blumel . . . 15724 1 3 Frank Lohr . . . 15724 1 4 Heinz Ruterjans . . . 15724 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'self-consistency approach' 15724 1 'Karplus parameters' 15724 1 'torsion angles' 15724 1 stop_ save_ save_Billeter_et_al_1992 _Citation.Sf_category citations _Citation.Sf_framecode Billeter_et_al_1992 _Citation.Entry_ID 15724 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1392569 _Citation.Full_citation . _Citation.Title 'Precise vicinal coupling constants 3JHNa in proteins from nonlinear fits of J-modulated [15N,1H]-COSY-experiments' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 2 _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 257 _Citation.Page_last 274 _Citation.Year 1992 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Billeter . . . 15724 2 2 D. Neri . . . 15724 2 3 G. Otting . . . 15724 2 4 Y. Qian . Q. . 15724 2 5 K. Wuthrich . . . 15724 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNHA measurement' 15724 2 stop_ save_ save_Kuboniwa_et_al_1994 _Citation.Sf_category citations _Citation.Sf_framecode Kuboniwa_et_al_1994 _Citation.Entry_ID 15724 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7812158 _Citation.Full_citation . _Citation.Title 'Measurement of HN,Ha J-couplings in calcium-free calmodulin using new 2D and 3D water-flip-back methods' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 4 _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 871 _Citation.Page_last 878 _Citation.Year 1994 _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 H. Kuboniwa . . . 15724 3 2 S. Grzesiek . . . 15724 3 3 F. Delaglio . . . 15724 3 4 A. Bax . . . 15724 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNHA measurement' 15724 3 stop_ save_ save_Lohr_&_Ruterjans_1995 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_&_Ruterjans_1995 _Citation.Entry_ID 15724 _Citation.ID 4 _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 . _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 F. Lohr . . . 15724 4 2 H. Ruterjans . . . 15724 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCO measurement' 15724 4 '3JHNCB measurement' 15724 4 '3JCOHA measurement' 15724 4 stop_ save_ save_Schmidt_et_al_1996 _Citation.Sf_category citations _Citation.Sf_framecode Schmidt_et_al_1996 _Citation.Entry_ID 15724 _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,C') and 3J(Hb,C') coupling constants in Desulfovibrio vulgaris flavodoxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _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 J. Schmidt . M. . 15724 5 2 F. Lohr . . . 15724 5 3 H. Ruterjans . . . 15724 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCO measurement' 15724 5 stop_ save_ save_Lohr_et_al_1997 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_et_al_1997 _Citation.Entry_ID 15724 _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 'Application of H(N)CA,CO-E.COSY experiments for calibrating the f-angular dependences of vicinal J(C'i-1,Hai), J(C'i-1,Cbi) and J(C'i-1,C'i) 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 . . . 15724 6 2 M. Blumel . . . 15724 6 3 J. Schmidt . M. . 15724 6 4 H. Ruterjans . . . 15724 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JCOHA measurement' 15724 6 '3JCOCO measurement' 15724 6 '3JCOCB measurement' 15724 6 stop_ save_ save_Lohr_&_Ruterjans_1999 _Citation.Sf_category citations _Citation.Sf_framecode Lohr_&_Ruterjans_1999 _Citation.Entry_ID 15724 _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 'Alternative E.COSY techniques for the measurement of 3J(Ci-1,Cbi) and 3J(HNi,Cbi) coupling constants in proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 263 _Citation.Page_last 274 _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 . . . 15724 7 2 H. Ruterjans . . . 15724 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3JHNCB measurement' 15724 7 '3JCOCB measurement' 15724 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15724 _Assembly.ID 1 _Assembly.Name 'Flavodoxin oxidized' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16300 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $Flavodoxin A . yes native no no . . . 15724 1 2 ligand 2 $entity_FMN A . no native no no . . . 15724 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JQ8 . . . 1.34 . . 15724 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'electron transfer' 15724 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode Flavodoxin _Entity.Entry_ID 15724 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Flavodoxin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PKALIVYGSTTGNTEYTAET IARELADAGYEVDSRDAASV EAGGLFEGFDLVLLGCSTWG DDSIELQDDFIPLFDSLEET GAQGRKVACFGCGDSSYEYF CGAVDAIEEKLKNLGAEIVQ DGLRIDGDPRAARDDIVGWA HDVRGAI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15725 . Flavodoxin . . . . . 100.00 147 100.00 100.00 4.88e-99 . . . . 15724 1 2 no BMRB 15904 . Flavodoxin . . . . . 100.00 147 100.00 100.00 4.88e-99 . . . . 15724 1 3 no BMRB 16579 . Flavodoxin . . . . . 100.00 147 100.00 100.00 4.88e-99 . . . . 15724 1 4 no PDB 1AKQ . "D95a Oxidized Flavodoxin Mutant From D. Vulgaris" . . . . . 100.00 147 99.32 99.32 4.11e-98 . . . . 15724 1 5 no PDB 1AKR . "G61a Oxidized Flavodoxin Mutant" . . . . . 100.00 147 99.32 99.32 1.89e-98 . . . . 15724 1 6 no PDB 1AKT . "G61n Oxidized Flavodoxin Mutant" . . . . . 100.00 147 99.32 99.32 2.00e-98 . . . . 15724 1 7 no PDB 1AKU . "D95a Hydroquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 100.00 147 99.32 99.32 4.11e-98 . . . . 15724 1 8 no PDB 1AKV . "D95a Semiquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 100.00 147 99.32 99.32 4.11e-98 . . . . 15724 1 9 no PDB 1AKW . "G61l Oxidized Flavodoxin Mutant" . . . . . 100.00 147 99.32 99.32 8.09e-98 . . . . 15724 1 10 no PDB 1AZL . "G61v Flavodoxin Mutant From Desulfovibrio Vulgaris" . . . . . 100.00 147 99.32 99.32 6.36e-98 . . . . 15724 1 11 no PDB 1BU5 . "X-Ray Crystal Structure Of The Desulfovibrio Vulgaris (Hildenborough) Apoflavodoxin-Riboflavin Complex" . . . . . 100.00 147 100.00 100.00 4.88e-99 . . . . 15724 1 12 no PDB 1C7E . "D95e Hydroquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 100.00 147 99.32 100.00 1.77e-98 . . . . 15724 1 13 no PDB 1C7F . "D95e Oxidized Flavodoxin Mutant From D. Vulgaris" . . . . . 100.00 147 99.32 100.00 1.77e-98 . . . . 15724 1 14 no PDB 1F4P . "Y98w Flavodoxin Mutant 1.5a (D. Vulgaris)" . . . . . 100.00 147 99.32 100.00 3.16e-98 . . . . 15724 1 15 no PDB 1FX1 . "A Crystallographic Structural Study Of The Oxidation States Of Desulfovibrio Vulgaris Flavodoxin" . . . . . 100.00 148 98.64 100.00 2.00e-98 . . . . 15724 1 16 no PDB 1I1O . "Room Temperature Crystal Structure Flavodoxin D. Vulgaris Mutant Y98h At 2.0 Ang. Resolution" . . . . . 99.32 147 99.32 100.00 2.87e-97 . . . . 15724 1 17 no PDB 1J8Q . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris Wild-Type At 1.35 Angstrom Resolution" . . . . . 99.32 147 100.00 100.00 7.17e-98 . . . . 15724 1 18 no PDB 1J9E . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S35c Mutant At 1.44 Angstrom Resolution" . . . . . 99.32 147 99.32 99.32 7.03e-97 . . . . 15724 1 19 no PDB 1J9G . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S64c Mutant, Monomer Oxidised, At 2.4 Angstrom Resolution" . . . . . 99.32 147 99.32 99.32 7.03e-97 . . . . 15724 1 20 no PDB 1WSB . "Flavodoxin Mutant- S64c" . . . . . 99.32 148 99.32 99.32 4.85e-97 . . . . 15724 1 21 no PDB 1WSW . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Dimer, Semiquinone State" . . . . . 99.32 148 99.32 99.32 4.85e-97 . . . . 15724 1 22 no PDB 1XT6 . "S35c Flavodoxin Mutant In The Semiquinone State" . . . . . 99.32 147 99.32 99.32 7.03e-97 . . . . 15724 1 23 no PDB 1XYV . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Monomer, Semiquinone State" . . . . . 99.32 148 99.32 99.32 4.85e-97 . . . . 15724 1 24 no PDB 1XYY . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Homodimer, Oxidised State" . . . . . 99.32 148 99.32 99.32 4.85e-97 . . . . 15724 1 25 no PDB 2FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 99.32 147 100.00 100.00 7.17e-98 . . . . 15724 1 26 no PDB 3FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 99.32 147 100.00 100.00 7.17e-98 . . . . 15724 1 27 no PDB 4FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 99.32 147 100.00 100.00 7.17e-98 . . . . 15724 1 28 no PDB 5FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 99.32 147 100.00 100.00 7.17e-98 . . . . 15724 1 29 no GB AAA23367 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 30 no GB AAS97152 . "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 31 no GB ABM27599 . "flavodoxin [Desulfovibrio vulgaris DP4]" . . . . . 100.00 148 97.28 98.64 4.40e-97 . . . . 15724 1 32 no GB ADP87615 . "flavodoxin [Desulfovibrio vulgaris RCH1]" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 33 no PRF 1501261A . flavodoxin . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 34 no PRF 1804236A . flavodoxin . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 35 no REF WP_010939949 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 36 no REF WP_011791702 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 97.28 98.64 4.40e-97 . . . . 15724 1 37 no REF YP_011892 . "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 38 no SP P00323 . "RecName: Full=Flavodoxin" . . . . . 100.00 148 100.00 100.00 3.80e-99 . . . . 15724 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'electron transfer' 15724 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 PRO . 15724 1 2 3 LYS . 15724 1 3 4 ALA . 15724 1 4 5 LEU . 15724 1 5 6 ILE . 15724 1 6 7 VAL . 15724 1 7 8 TYR . 15724 1 8 9 GLY . 15724 1 9 10 SER . 15724 1 10 11 THR . 15724 1 11 12 THR . 15724 1 12 13 GLY . 15724 1 13 14 ASN . 15724 1 14 15 THR . 15724 1 15 16 GLU . 15724 1 16 17 TYR . 15724 1 17 18 THR . 15724 1 18 19 ALA . 15724 1 19 20 GLU . 15724 1 20 21 THR . 15724 1 21 22 ILE . 15724 1 22 23 ALA . 15724 1 23 24 ARG . 15724 1 24 25 GLU . 15724 1 25 26 LEU . 15724 1 26 27 ALA . 15724 1 27 28 ASP . 15724 1 28 29 ALA . 15724 1 29 30 GLY . 15724 1 30 31 TYR . 15724 1 31 32 GLU . 15724 1 32 33 VAL . 15724 1 33 34 ASP . 15724 1 34 35 SER . 15724 1 35 36 ARG . 15724 1 36 37 ASP . 15724 1 37 38 ALA . 15724 1 38 39 ALA . 15724 1 39 40 SER . 15724 1 40 41 VAL . 15724 1 41 42 GLU . 15724 1 42 43 ALA . 15724 1 43 44 GLY . 15724 1 44 45 GLY . 15724 1 45 46 LEU . 15724 1 46 47 PHE . 15724 1 47 48 GLU . 15724 1 48 49 GLY . 15724 1 49 50 PHE . 15724 1 50 51 ASP . 15724 1 51 52 LEU . 15724 1 52 53 VAL . 15724 1 53 54 LEU . 15724 1 54 55 LEU . 15724 1 55 56 GLY . 15724 1 56 57 CYS . 15724 1 57 58 SER . 15724 1 58 59 THR . 15724 1 59 60 TRP . 15724 1 60 61 GLY . 15724 1 61 62 ASP . 15724 1 62 63 ASP . 15724 1 63 64 SER . 15724 1 64 65 ILE . 15724 1 65 66 GLU . 15724 1 66 67 LEU . 15724 1 67 68 GLN . 15724 1 68 69 ASP . 15724 1 69 70 ASP . 15724 1 70 71 PHE . 15724 1 71 72 ILE . 15724 1 72 73 PRO . 15724 1 73 74 LEU . 15724 1 74 75 PHE . 15724 1 75 76 ASP . 15724 1 76 77 SER . 15724 1 77 78 LEU . 15724 1 78 79 GLU . 15724 1 79 80 GLU . 15724 1 80 81 THR . 15724 1 81 82 GLY . 15724 1 82 83 ALA . 15724 1 83 84 GLN . 15724 1 84 85 GLY . 15724 1 85 86 ARG . 15724 1 86 87 LYS . 15724 1 87 88 VAL . 15724 1 88 89 ALA . 15724 1 89 90 CYS . 15724 1 90 91 PHE . 15724 1 91 92 GLY . 15724 1 92 93 CYS . 15724 1 93 94 GLY . 15724 1 94 95 ASP . 15724 1 95 96 SER . 15724 1 96 97 SER . 15724 1 97 98 TYR . 15724 1 98 99 GLU . 15724 1 99 100 TYR . 15724 1 100 101 PHE . 15724 1 101 102 CYS . 15724 1 102 103 GLY . 15724 1 103 104 ALA . 15724 1 104 105 VAL . 15724 1 105 106 ASP . 15724 1 106 107 ALA . 15724 1 107 108 ILE . 15724 1 108 109 GLU . 15724 1 109 110 GLU . 15724 1 110 111 LYS . 15724 1 111 112 LEU . 15724 1 112 113 LYS . 15724 1 113 114 ASN . 15724 1 114 115 LEU . 15724 1 115 116 GLY . 15724 1 116 117 ALA . 15724 1 117 118 GLU . 15724 1 118 119 ILE . 15724 1 119 120 VAL . 15724 1 120 121 GLN . 15724 1 121 122 ASP . 15724 1 122 123 GLY . 15724 1 123 124 LEU . 15724 1 124 125 ARG . 15724 1 125 126 ILE . 15724 1 126 127 ASP . 15724 1 127 128 GLY . 15724 1 128 129 ASP . 15724 1 129 130 PRO . 15724 1 130 131 ARG . 15724 1 131 132 ALA . 15724 1 132 133 ALA . 15724 1 133 134 ARG . 15724 1 134 135 ASP . 15724 1 135 136 ASP . 15724 1 136 137 ILE . 15724 1 137 138 VAL . 15724 1 138 139 GLY . 15724 1 139 140 TRP . 15724 1 140 141 ALA . 15724 1 141 142 HIS . 15724 1 142 143 ASP . 15724 1 143 144 VAL . 15724 1 144 145 ARG . 15724 1 145 146 GLY . 15724 1 146 147 ALA . 15724 1 147 148 ILE . 15724 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 15724 1 . LYS 2 2 15724 1 . ALA 3 3 15724 1 . LEU 4 4 15724 1 . ILE 5 5 15724 1 . VAL 6 6 15724 1 . TYR 7 7 15724 1 . GLY 8 8 15724 1 . SER 9 9 15724 1 . THR 10 10 15724 1 . THR 11 11 15724 1 . GLY 12 12 15724 1 . ASN 13 13 15724 1 . THR 14 14 15724 1 . GLU 15 15 15724 1 . TYR 16 16 15724 1 . THR 17 17 15724 1 . ALA 18 18 15724 1 . GLU 19 19 15724 1 . THR 20 20 15724 1 . ILE 21 21 15724 1 . ALA 22 22 15724 1 . ARG 23 23 15724 1 . GLU 24 24 15724 1 . LEU 25 25 15724 1 . ALA 26 26 15724 1 . ASP 27 27 15724 1 . ALA 28 28 15724 1 . GLY 29 29 15724 1 . TYR 30 30 15724 1 . GLU 31 31 15724 1 . VAL 32 32 15724 1 . ASP 33 33 15724 1 . SER 34 34 15724 1 . ARG 35 35 15724 1 . ASP 36 36 15724 1 . ALA 37 37 15724 1 . ALA 38 38 15724 1 . SER 39 39 15724 1 . VAL 40 40 15724 1 . GLU 41 41 15724 1 . ALA 42 42 15724 1 . GLY 43 43 15724 1 . GLY 44 44 15724 1 . LEU 45 45 15724 1 . PHE 46 46 15724 1 . GLU 47 47 15724 1 . GLY 48 48 15724 1 . PHE 49 49 15724 1 . ASP 50 50 15724 1 . LEU 51 51 15724 1 . VAL 52 52 15724 1 . LEU 53 53 15724 1 . LEU 54 54 15724 1 . GLY 55 55 15724 1 . CYS 56 56 15724 1 . SER 57 57 15724 1 . THR 58 58 15724 1 . TRP 59 59 15724 1 . GLY 60 60 15724 1 . ASP 61 61 15724 1 . ASP 62 62 15724 1 . SER 63 63 15724 1 . ILE 64 64 15724 1 . GLU 65 65 15724 1 . LEU 66 66 15724 1 . GLN 67 67 15724 1 . ASP 68 68 15724 1 . ASP 69 69 15724 1 . PHE 70 70 15724 1 . ILE 71 71 15724 1 . PRO 72 72 15724 1 . LEU 73 73 15724 1 . PHE 74 74 15724 1 . ASP 75 75 15724 1 . SER 76 76 15724 1 . LEU 77 77 15724 1 . GLU 78 78 15724 1 . GLU 79 79 15724 1 . THR 80 80 15724 1 . GLY 81 81 15724 1 . ALA 82 82 15724 1 . GLN 83 83 15724 1 . GLY 84 84 15724 1 . ARG 85 85 15724 1 . LYS 86 86 15724 1 . VAL 87 87 15724 1 . ALA 88 88 15724 1 . CYS 89 89 15724 1 . PHE 90 90 15724 1 . GLY 91 91 15724 1 . CYS 92 92 15724 1 . GLY 93 93 15724 1 . ASP 94 94 15724 1 . SER 95 95 15724 1 . SER 96 96 15724 1 . TYR 97 97 15724 1 . GLU 98 98 15724 1 . TYR 99 99 15724 1 . PHE 100 100 15724 1 . CYS 101 101 15724 1 . GLY 102 102 15724 1 . ALA 103 103 15724 1 . VAL 104 104 15724 1 . ASP 105 105 15724 1 . ALA 106 106 15724 1 . ILE 107 107 15724 1 . GLU 108 108 15724 1 . GLU 109 109 15724 1 . LYS 110 110 15724 1 . LEU 111 111 15724 1 . LYS 112 112 15724 1 . ASN 113 113 15724 1 . LEU 114 114 15724 1 . GLY 115 115 15724 1 . ALA 116 116 15724 1 . GLU 117 117 15724 1 . ILE 118 118 15724 1 . VAL 119 119 15724 1 . GLN 120 120 15724 1 . ASP 121 121 15724 1 . GLY 122 122 15724 1 . LEU 123 123 15724 1 . ARG 124 124 15724 1 . ILE 125 125 15724 1 . ASP 126 126 15724 1 . GLY 127 127 15724 1 . ASP 128 128 15724 1 . PRO 129 129 15724 1 . ARG 130 130 15724 1 . ALA 131 131 15724 1 . ALA 132 132 15724 1 . ARG 133 133 15724 1 . ASP 134 134 15724 1 . ASP 135 135 15724 1 . ILE 136 136 15724 1 . VAL 137 137 15724 1 . GLY 138 138 15724 1 . TRP 139 139 15724 1 . ALA 140 140 15724 1 . HIS 141 141 15724 1 . ASP 142 142 15724 1 . VAL 143 143 15724 1 . ARG 144 144 15724 1 . GLY 145 145 15724 1 . ALA 146 146 15724 1 . ILE 147 147 15724 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 15724 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name 'FLAVIN MONONUCLEOTIDE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 15724 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 15724 2 FMN 'Three letter code' 15724 2 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 1 FMN $chem_comp_FMN 15724 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 FMN C1' 15724 2 2 1 FMN C10 15724 2 3 1 FMN C2 15724 2 4 1 FMN C2' 15724 2 5 1 FMN C3' 15724 2 6 1 FMN C4 15724 2 7 1 FMN C4' 15724 2 8 1 FMN C4A 15724 2 9 1 FMN C5' 15724 2 10 1 FMN C5A 15724 2 11 1 FMN C6 15724 2 12 1 FMN C7 15724 2 13 1 FMN C7M 15724 2 14 1 FMN C8 15724 2 15 1 FMN C8M 15724 2 16 1 FMN C9 15724 2 17 1 FMN C9A 15724 2 18 1 FMN H1'1 15724 2 19 1 FMN H1'2 15724 2 20 1 FMN H2' 15724 2 21 1 FMN H3' 15724 2 22 1 FMN H4' 15724 2 23 1 FMN H5'1 15724 2 24 1 FMN H5'2 15724 2 25 1 FMN H6 15724 2 26 1 FMN H9 15724 2 27 1 FMN HM71 15724 2 28 1 FMN HM72 15724 2 29 1 FMN HM73 15724 2 30 1 FMN HM81 15724 2 31 1 FMN HM82 15724 2 32 1 FMN HM83 15724 2 33 1 FMN HN3 15724 2 34 1 FMN HO2' 15724 2 35 1 FMN HO3' 15724 2 36 1 FMN HO4' 15724 2 37 1 FMN HOP2 15724 2 38 1 FMN HOP3 15724 2 39 1 FMN N1 15724 2 40 1 FMN N10 15724 2 41 1 FMN N3 15724 2 42 1 FMN N5 15724 2 43 1 FMN O1P 15724 2 44 1 FMN O2 15724 2 45 1 FMN O2' 15724 2 46 1 FMN O2P 15724 2 47 1 FMN O3' 15724 2 48 1 FMN O3P 15724 2 49 1 FMN O4 15724 2 50 1 FMN O4' 15724 2 51 1 FMN O5' 15724 2 52 1 FMN P 15724 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15724 _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 $Flavodoxin . 881 organism . 'Desulfovibrio vulgaris' 'Desulfovibrio vulgaris' . . Bacteria . Desulfovibrio vulgaris Hildenborough . . . . . . . . . . . . . . . . . . . . 15724 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 15724 _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 $Flavodoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TG2 . . . . . . . . . . . . . . . pDKFL300 . . . . . . 15724 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 15724 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 15724 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15724 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 15724 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 15724 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 15724 FMN InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 InChI InChI 1.03 15724 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 15724 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 15724 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15724 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 15724 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 15724 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 15724 FMN C2' C2' C2' C2* . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 15724 FMN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 15724 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 15724 FMN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 15724 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 15724 FMN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 15724 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 15724 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 15724 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 15724 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 15724 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 15724 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 15724 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 15724 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 15724 FMN H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 15724 FMN H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 15724 FMN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 15724 FMN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 15724 FMN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 15724 FMN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 15724 FMN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 15724 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 15724 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 15724 FMN HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 15724 FMN HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 15724 FMN HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 15724 FMN HM81 HM81 HM81 1HM8 . H . . N 0 . . . 0 no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 15724 FMN HM82 HM82 HM82 2HM8 . H . . N 0 . . . 0 no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 15724 FMN HM83 HM83 HM83 3HM8 . H . . N 0 . . . 0 no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 15724 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 15724 FMN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 15724 FMN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 15724 FMN HO4' HO4' HO4' *HO4 . H . . N 0 . . . 0 no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 15724 FMN HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 15724 FMN HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 15724 FMN N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 15724 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 15724 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 15724 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 15724 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 15724 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 15724 FMN O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 15724 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 15724 FMN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 15724 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 15724 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 15724 FMN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 15724 FMN O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 15724 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 15724 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 15724 FMN 2 . DOUB N1 C10 yes N 2 . 15724 FMN 3 . DOUB C2 O2 no N 3 . 15724 FMN 4 . SING C2 N3 yes N 4 . 15724 FMN 5 . SING N3 C4 yes N 5 . 15724 FMN 6 . SING N3 HN3 no N 6 . 15724 FMN 7 . DOUB C4 O4 no N 7 . 15724 FMN 8 . SING C4 C4A yes N 8 . 15724 FMN 9 . DOUB C4A N5 yes N 9 . 15724 FMN 10 . SING C4A C10 yes N 10 . 15724 FMN 11 . SING N5 C5A yes N 11 . 15724 FMN 12 . DOUB C5A C6 yes N 12 . 15724 FMN 13 . SING C5A C9A yes N 13 . 15724 FMN 14 . SING C6 C7 yes N 14 . 15724 FMN 15 . SING C6 H6 no N 15 . 15724 FMN 16 . SING C7 C7M no N 16 . 15724 FMN 17 . DOUB C7 C8 yes N 17 . 15724 FMN 18 . SING C7M HM71 no N 18 . 15724 FMN 19 . SING C7M HM72 no N 19 . 15724 FMN 20 . SING C7M HM73 no N 20 . 15724 FMN 21 . SING C8 C8M no N 21 . 15724 FMN 22 . SING C8 C9 yes N 22 . 15724 FMN 23 . SING C8M HM81 no N 23 . 15724 FMN 24 . SING C8M HM82 no N 24 . 15724 FMN 25 . SING C8M HM83 no N 25 . 15724 FMN 26 . DOUB C9 C9A yes N 26 . 15724 FMN 27 . SING C9 H9 no N 27 . 15724 FMN 28 . SING C9A N10 yes N 28 . 15724 FMN 29 . SING N10 C10 yes N 29 . 15724 FMN 30 . SING N10 C1' no N 30 . 15724 FMN 31 . SING C1' C2' no N 31 . 15724 FMN 32 . SING C1' H1'1 no N 32 . 15724 FMN 33 . SING C1' H1'2 no N 33 . 15724 FMN 34 . SING C2' O2' no N 34 . 15724 FMN 35 . SING C2' C3' no N 35 . 15724 FMN 36 . SING C2' H2' no N 36 . 15724 FMN 37 . SING O2' HO2' no N 37 . 15724 FMN 38 . SING C3' O3' no N 38 . 15724 FMN 39 . SING C3' C4' no N 39 . 15724 FMN 40 . SING C3' H3' no N 40 . 15724 FMN 41 . SING O3' HO3' no N 41 . 15724 FMN 42 . SING C4' O4' no N 42 . 15724 FMN 43 . SING C4' C5' no N 43 . 15724 FMN 44 . SING C4' H4' no N 44 . 15724 FMN 45 . SING O4' HO4' no N 45 . 15724 FMN 46 . SING C5' O5' no N 46 . 15724 FMN 47 . SING C5' H5'1 no N 47 . 15724 FMN 48 . SING C5' H5'2 no N 48 . 15724 FMN 49 . SING O5' P no N 49 . 15724 FMN 50 . DOUB P O1P no N 50 . 15724 FMN 51 . SING P O2P no N 51 . 15724 FMN 52 . SING P O3P no N 52 . 15724 FMN 53 . SING O2P HOP2 no N 53 . 15724 FMN 54 . SING O3P HOP3 no N 54 . 15724 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_doubly_labeled _Sample.Sf_category sample _Sample.Sf_framecode doubly_labeled _Sample.Entry_ID 15724 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Flavodoxin '[U-98% 13C; U-98% 15N]' . . 1 $Flavodoxin . . 2.1 . . mM . . . . 15724 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15724 1 3 D2O . . . . . . . 5 . . % . . . . 15724 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15724 1 stop_ save_ save_singly_labeled _Sample.Sf_category sample _Sample.Sf_framecode singly_labeled _Sample.Entry_ID 15724 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Flavodoxin '[U-98% 15N]' . . 1 $Flavodoxin . . 4.5 . . mM . . . . 15724 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15724 2 3 D2O . . . . . . . 5 . . % . . . . 15724 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15724 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15724 _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 temperature 300 . K 15724 1 pH 7.0 . pH 15724 1 pressure 1 . atm 15724 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 15724 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15724 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15724 1 processing 15724 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 15724 _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 15724 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15724 2 'multiplet simulation' 15724 2 'coupling constant extraction' 15724 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 15724 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'PFG accessories' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15724 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15724 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 'PFG accessories' . . 15724 1 2 spectrometer_2 Bruker AMX . 600 . . . 15724 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 15724 _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 'constant-time J-modulated 1H,15N HMQC' no . . . . . . . . . . 2 $singly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 1 2 '3D heteronuclear relayed E.COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15724 1 3 '3D CO-coupled (H)CANNH' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15724 1 4 '3D Cb-coupled (H)CANNH' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15724 1 5 '3D HN-coupled HNCACB' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 1 6 '3D Ha-coupled H(N)CA,CO-E.COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 1 7 '3D CO-coupled (H)NCAHA' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15724 1 8 '3D CO-coupled H(N)CA,CO-E.COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 1 9 '3D Cb-coupled H(N)CA,CO-E.COSY' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 1 10 '3D CO-coupled HNCACB' no . . . . . . . . . . 1 $doubly_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15724 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 15724 _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 . _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 'constant-time J-modulated 1H,15N HMQC' . . . 15724 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 LYS HN H 1 . . 1 1 2 2 LYS HA H 1 . 9.58 . . 0.35 . . . 3 LYS HN . 3 LYS HA . 15724 1 2 3JHNHA . 1 1 3 3 ALA HN H 1 . . 1 1 3 3 ALA HA H 1 . 9.83 . . 0.35 . . . 4 ALA HN . 4 ALA HA . 15724 1 3 3JHNHA . 1 1 4 4 LEU HN H 1 . . 1 1 4 4 LEU HA H 1 . 8.95 . . 0.35 . . . 5 LEU HN . 5 LEU HA . 15724 1 4 3JHNHA . 1 1 5 5 ILE HN H 1 . . 1 1 5 5 ILE HA H 1 . 9.60 . . 0.35 . . . 6 ILE HN . 6 ILE HA . 15724 1 5 3JHNHA . 1 1 6 6 VAL HN H 1 . . 1 1 6 6 VAL HA H 1 . 9.81 . . 0.35 . . . 7 VAL HN . 7 VAL HA . 15724 1 6 3JHNHA . 1 1 7 7 TYR HN H 1 . . 1 1 7 7 TYR HA H 1 . 9.52 . . 0.35 . . . 8 TYR HN . 8 TYR HA . 15724 1 7 3JHNHA . 1 1 8 8 GLY HN H 1 . . 1 1 8 8 GLY HA2 H 1 . 7.84 . . 0.35 . . . 9 GLY HN . 9 GLY HA2 . 15724 1 8 3JHNHA . 1 1 8 8 GLY HN H 1 . . 1 1 8 8 GLY HA3 H 1 . 1.58 . . 0.35 . . . 9 GLY HN . 9 GLY HA3 . 15724 1 9 3JHNHA . 1 1 9 9 SER HN H 1 . . 1 1 9 9 SER HA H 1 . 8.42 . . 0.35 . . . 10 SER HN . 10 SER HA . 15724 1 10 3JHNHA . 1 1 10 10 THR HN H 1 . . 1 1 10 10 THR HA H 1 . 8.29 . . 0.35 . . . 11 THR HN . 11 THR HA . 15724 1 11 3JHNHA . 1 1 11 11 THR HN H 1 . . 1 1 11 11 THR HA H 1 . 9.61 . . 0.35 . . . 12 THR HN . 12 THR HA . 15724 1 12 3JHNHA . 1 1 12 12 GLY HN H 1 . . 1 1 12 12 GLY HA2 H 1 . 3.83 . . 0.35 . . . 13 GLY HN . 13 GLY HA2 . 15724 1 13 3JHNHA . 1 1 12 12 GLY HN H 1 . . 1 1 12 12 GLY HA3 H 1 . 7.94 . . 0.35 . . . 13 GLY HN . 13 GLY HA3 . 15724 1 14 3JHNHA . 1 1 13 13 ASN HN H 1 . . 1 1 13 13 ASN HA H 1 . 4.44 . . 0.35 . . . 14 ASN HN . 14 ASN HA . 15724 1 15 3JHNHA . 1 1 14 14 THR HN H 1 . . 1 1 14 14 THR HA H 1 . 3.89 . . 0.35 . . . 15 THR HN . 15 THR HA . 15724 1 16 3JHNHA . 1 1 15 15 GLU HN H 1 . . 1 1 15 15 GLU HA H 1 . 5.34 . . 0.35 . . . 16 GLU HN . 16 GLU HA . 15724 1 17 3JHNHA . 1 1 16 16 TYR HN H 1 . . 1 1 16 16 TYR HA H 1 . 3.48 . . 0.35 . . . 17 TYR HN . 17 TYR HA . 15724 1 18 3JHNHA . 1 1 18 18 ALA HN H 1 . . 1 1 18 18 ALA HA H 1 . 4.27 . . 0.35 . . . 19 ALA HN . 19 ALA HA . 15724 1 19 3JHNHA . 1 1 19 19 GLU HN H 1 . . 1 1 19 19 GLU HA H 1 . 4.17 . . 0.35 . . . 20 GLU HN . 20 GLU HA . 15724 1 20 3JHNHA . 1 1 20 20 THR HN H 1 . . 1 1 20 20 THR HA H 1 . 4.94 . . 0.35 . . . 21 THR HN . 21 THR HA . 15724 1 21 3JHNHA . 1 1 21 21 ILE HN H 1 . . 1 1 21 21 ILE HA H 1 . 5.39 . . 0.35 . . . 22 ILE HN . 22 ILE HA . 15724 1 22 3JHNHA . 1 1 22 22 ALA HN H 1 . . 1 1 22 22 ALA HA H 1 . 3.39 . . 0.35 . . . 23 ALA HN . 23 ALA HA . 15724 1 23 3JHNHA . 1 1 23 23 ARG HN H 1 . . 1 1 23 23 ARG HA H 1 . 4.53 . . 0.35 . . . 24 ARG HN . 24 ARG HA . 15724 1 24 3JHNHA . 1 1 24 24 GLU HN H 1 . . 1 1 24 24 GLU HA H 1 . 4.96 . . 0.35 . . . 25 GLU HN . 25 GLU HA . 15724 1 25 3JHNHA . 1 1 25 25 LEU HN H 1 . . 1 1 25 25 LEU HA H 1 . 5.23 . . 0.35 . . . 26 LEU HN . 26 LEU HA . 15724 1 26 3JHNHA . 1 1 26 26 ALA HN H 1 . . 1 1 26 26 ALA HA H 1 . 3.67 . . 0.35 . . . 27 ALA HN . 27 ALA HA . 15724 1 27 3JHNHA . 1 1 27 27 ASP HN H 1 . . 1 1 27 27 ASP HA H 1 . 4.53 . . 0.35 . . . 28 ASP HN . 28 ASP HA . 15724 1 28 3JHNHA . 1 1 28 28 ALA HN H 1 . . 1 1 28 28 ALA HA H 1 . 7.91 . . 0.35 . . . 29 ALA HN . 29 ALA HA . 15724 1 29 3JHNHA . 1 1 29 29 GLY HN H 1 . . 1 1 29 29 GLY HA2 H 1 . 4.71 . . 0.35 . . . 30 GLY HN . 30 GLY HA2 . 15724 1 30 3JHNHA . 1 1 29 29 GLY HN H 1 . . 1 1 29 29 GLY HA3 H 1 . 7.27 . . 0.35 . . . 30 GLY HN . 30 GLY HA3 . 15724 1 31 3JHNHA . 1 1 30 30 TYR HN H 1 . . 1 1 30 30 TYR HA H 1 . 6.97 . . 0.35 . . . 31 TYR HN . 31 TYR HA . 15724 1 32 3JHNHA . 1 1 31 31 GLU HN H 1 . . 1 1 31 31 GLU HA H 1 . 8.77 . . 0.35 . . . 32 GLU HN . 32 GLU HA . 15724 1 33 3JHNHA . 1 1 32 32 VAL HN H 1 . . 1 1 32 32 VAL HA H 1 . 9.29 . . 0.35 . . . 33 VAL HN . 33 VAL HA . 15724 1 34 3JHNHA . 1 1 33 33 ASP HN H 1 . . 1 1 33 33 ASP HA H 1 . 9.49 . . 0.35 . . . 34 ASP HN . 34 ASP HA . 15724 1 35 3JHNHA . 1 1 34 34 SER HN H 1 . . 1 1 34 34 SER HA H 1 . 9.45 . . 0.35 . . . 35 SER HN . 35 SER HA . 15724 1 36 3JHNHA . 1 1 35 35 ARG HN H 1 . . 1 1 35 35 ARG HA H 1 . 9.03 . . 0.35 . . . 36 ARG HN . 36 ARG HA . 15724 1 37 3JHNHA . 1 1 36 36 ASP HN H 1 . . 1 1 36 36 ASP HA H 1 . 6.72 . . 0.35 . . . 37 ASP HN . 37 ASP HA . 15724 1 38 3JHNHA . 1 1 37 37 ALA HN H 1 . . 1 1 37 37 ALA HA H 1 . 3.27 . . 0.35 . . . 38 ALA HN . 38 ALA HA . 15724 1 39 3JHNHA . 1 1 38 38 ALA HN H 1 . . 1 1 38 38 ALA HA H 1 . 4.50 . . 0.35 . . . 39 ALA HN . 39 ALA HA . 15724 1 40 3JHNHA . 1 1 39 39 SER HN H 1 . . 1 1 39 39 SER HA H 1 . 8.99 . . 0.35 . . . 40 SER HN . 40 SER HA . 15724 1 41 3JHNHA . 1 1 40 40 VAL HN H 1 . . 1 1 40 40 VAL HA H 1 . 8.87 . . 0.35 . . . 41 VAL HN . 41 VAL HA . 15724 1 42 3JHNHA . 1 1 41 41 GLU HN H 1 . . 1 1 41 41 GLU HA H 1 . 8.73 . . 0.35 . . . 42 GLU HN . 42 GLU HA . 15724 1 43 3JHNHA . 1 1 42 42 ALA HN H 1 . . 1 1 42 42 ALA HA H 1 . 3.59 . . 0.35 . . . 43 ALA HN . 43 ALA HA . 15724 1 44 3JHNHA . 1 1 43 43 GLY HN H 1 . . 1 1 43 43 GLY HA2 H 1 . 2.44 . . 0.35 . . . 44 GLY HN . 44 GLY HA2 . 15724 1 45 3JHNHA . 1 1 43 43 GLY HN H 1 . . 1 1 43 43 GLY HA3 H 1 . 5.76 . . 0.35 . . . 44 GLY HN . 44 GLY HA3 . 15724 1 46 3JHNHA . 1 1 44 44 GLY HN H 1 . . 1 1 44 44 GLY HA2 H 1 . 5.84 . . 0.35 . . . 45 GLY HN . 45 GLY HA2 . 15724 1 47 3JHNHA . 1 1 44 44 GLY HN H 1 . . 1 1 44 44 GLY HA3 H 1 . 5.48 . . 0.35 . . . 45 GLY HN . 45 GLY HA3 . 15724 1 48 3JHNHA . 1 1 45 45 LEU HN H 1 . . 1 1 45 45 LEU HA H 1 . 2.60 . . 0.35 . . . 46 LEU HN . 46 LEU HA . 15724 1 49 3JHNHA . 1 1 46 46 PHE HN H 1 . . 1 1 46 46 PHE HA H 1 . 6.73 . . 0.35 . . . 47 PHE HN . 47 PHE HA . 15724 1 50 3JHNHA . 1 1 47 47 GLU HN H 1 . . 1 1 47 47 GLU HA H 1 . 3.80 . . 0.35 . . . 48 GLU HN . 48 GLU HA . 15724 1 51 3JHNHA . 1 1 48 48 GLY HN H 1 . . 1 1 48 48 GLY HA2 H 1 . 4.59 . . 0.35 . . . 49 GLY HN . 49 GLY HA2 . 15724 1 52 3JHNHA . 1 1 48 48 GLY HN H 1 . . 1 1 48 48 GLY HA3 H 1 . 6.54 . . 0.35 . . . 49 GLY HN . 49 GLY HA3 . 15724 1 53 3JHNHA . 1 1 49 49 PHE HN H 1 . . 1 1 49 49 PHE HA H 1 . 8.67 . . 0.35 . . . 50 PHE HN . 50 PHE HA . 15724 1 54 3JHNHA . 1 1 50 50 ASP HN H 1 . . 1 1 50 50 ASP HA H 1 . 6.67 . . 0.35 . . . 51 ASP HN . 51 ASP HA . 15724 1 55 3JHNHA . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU HA H 1 . 6.80 . . 0.35 . . . 52 LEU HN . 52 LEU HA . 15724 1 56 3JHNHA . 1 1 52 52 VAL HN H 1 . . 1 1 52 52 VAL HA H 1 . 9.00 . . 0.35 . . . 53 VAL HN . 53 VAL HA . 15724 1 57 3JHNHA . 1 1 53 53 LEU HN H 1 . . 1 1 53 53 LEU HA H 1 . 9.91 . . 0.35 . . . 54 LEU HN . 54 LEU HA . 15724 1 58 3JHNHA . 1 1 54 54 LEU HN H 1 . . 1 1 54 54 LEU HA H 1 . 9.12 . . 0.35 . . . 55 LEU HN . 55 LEU HA . 15724 1 59 3JHNHA . 1 1 55 55 GLY HN H 1 . . 1 1 55 55 GLY HA2 H 1 . 8.64 . . 0.35 . . . 56 GLY HN . 56 GLY HA2 . 15724 1 60 3JHNHA . 1 1 55 55 GLY HN H 1 . . 1 1 55 55 GLY HA3 H 1 . 2.99 . . 0.35 . . . 56 GLY HN . 56 GLY HA3 . 15724 1 61 3JHNHA . 1 1 56 56 CYS HN H 1 . . 1 1 56 56 CYS HA H 1 . 6.75 . . 0.35 . . . 57 CYS HN . 57 CYS HA . 15724 1 62 3JHNHA . 1 1 57 57 SER HN H 1 . . 1 1 57 57 SER HA H 1 . 7.52 . . 0.35 . . . 58 SER HN . 58 SER HA . 15724 1 63 3JHNHA . 1 1 58 58 THR HN H 1 . . 1 1 58 58 THR HA H 1 . 9.84 . . 0.35 . . . 59 THR HN . 59 THR HA . 15724 1 64 3JHNHA . 1 1 59 59 TRP HN H 1 . . 1 1 59 59 TRP HA H 1 . 9.64 . . 0.35 . . . 60 TRP HN . 60 TRP HA . 15724 1 65 3JHNHA . 1 1 60 60 GLY HN H 1 . . 1 1 60 60 GLY HA2 H 1 . 2.50 . . 0.35 . . . 61 GLY HN . 61 GLY HA2 . 15724 1 66 3JHNHA . 1 1 60 60 GLY HN H 1 . . 1 1 60 60 GLY HA3 H 1 . 6.58 . . 0.35 . . . 61 GLY HN . 61 GLY HA3 . 15724 1 67 3JHNHA . 1 1 61 61 ASP HN H 1 . . 1 1 61 61 ASP HA H 1 . 7.42 . . 0.35 . . . 62 ASP HN . 62 ASP HA . 15724 1 68 3JHNHA . 1 1 62 62 ASP HN H 1 . . 1 1 62 62 ASP HA H 1 . 6.96 . . 0.35 . . . 63 ASP HN . 63 ASP HA . 15724 1 69 3JHNHA . 1 1 63 63 SER HN H 1 . . 1 1 63 63 SER HA H 1 . 6.55 . . 0.35 . . . 64 SER HN . 64 SER HA . 15724 1 70 3JHNHA . 1 1 64 64 ILE HN H 1 . . 1 1 64 64 ILE HA H 1 . 6.80 . . 0.35 . . . 65 ILE HN . 65 ILE HA . 15724 1 71 3JHNHA . 1 1 65 65 GLU HN H 1 . . 1 1 65 65 GLU HA H 1 . 9.79 . . 0.35 . . . 66 GLU HN . 66 GLU HA . 15724 1 72 3JHNHA . 1 1 66 66 LEU HN H 1 . . 1 1 66 66 LEU HA H 1 . 5.60 . . 0.35 . . . 67 LEU HN . 67 LEU HA . 15724 1 73 3JHNHA . 1 1 67 67 GLN HN H 1 . . 1 1 67 67 GLN HA H 1 . 3.01 . . 0.35 . . . 68 GLN HN . 68 GLN HA . 15724 1 74 3JHNHA . 1 1 68 68 ASP HN H 1 . . 1 1 68 68 ASP HA H 1 . 2.33 . . 0.35 . . . 69 ASP HN . 69 ASP HA . 15724 1 75 3JHNHA . 1 1 69 69 ASP HN H 1 . . 1 1 69 69 ASP HA H 1 . 5.74 . . 0.35 . . . 70 ASP HN . 70 ASP HA . 15724 1 76 3JHNHA . 1 1 70 70 PHE HN H 1 . . 1 1 70 70 PHE HA H 1 . 6.76 . . 0.35 . . . 71 PHE HN . 71 PHE HA . 15724 1 77 3JHNHA . 1 1 71 71 ILE HN H 1 . . 1 1 71 71 ILE HA H 1 . 2.49 . . 0.35 . . . 72 ILE HN . 72 ILE HA . 15724 1 78 3JHNHA . 1 1 73 73 LEU HN H 1 . . 1 1 73 73 LEU HA H 1 . 6.29 . . 0.35 . . . 74 LEU HN . 74 LEU HA . 15724 1 79 3JHNHA . 1 1 74 74 PHE HN H 1 . . 1 1 74 74 PHE HA H 1 . 4.17 . . 0.35 . . . 75 PHE HN . 75 PHE HA . 15724 1 80 3JHNHA . 1 1 75 75 ASP HN H 1 . . 1 1 75 75 ASP HA H 1 . 3.74 . . 0.35 . . . 76 ASP HN . 76 ASP HA . 15724 1 81 3JHNHA . 1 1 76 76 SER HN H 1 . . 1 1 76 76 SER HA H 1 . 9.59 . . 0.35 . . . 77 SER HN . 77 SER HA . 15724 1 82 3JHNHA . 1 1 77 77 LEU HN H 1 . . 1 1 77 77 LEU HA H 1 . 1.21 . . 0.35 . . . 78 LEU HN . 78 LEU HA . 15724 1 83 3JHNHA . 1 1 78 78 GLU HN H 1 . . 1 1 78 78 GLU HA H 1 . 3.33 . . 0.35 . . . 79 GLU HN . 79 GLU HA . 15724 1 84 3JHNHA . 1 1 79 79 GLU HN H 1 . . 1 1 79 79 GLU HA H 1 . 7.05 . . 0.35 . . . 80 GLU HN . 80 GLU HA . 15724 1 85 3JHNHA . 1 1 80 80 THR HN H 1 . . 1 1 80 80 THR HA H 1 . 5.64 . . 0.35 . . . 81 THR HN . 81 THR HA . 15724 1 86 3JHNHA . 1 1 81 81 GLY HN H 1 . . 1 1 81 81 GLY HA2 H 1 . 4.43 . . 0.35 . . . 82 GLY HN . 82 GLY HA2 . 15724 1 87 3JHNHA . 1 1 81 81 GLY HN H 1 . . 1 1 81 81 GLY HA3 H 1 . 7.01 . . 0.35 . . . 82 GLY HN . 82 GLY HA3 . 15724 1 88 3JHNHA . 1 1 82 82 ALA HN H 1 . . 1 1 82 82 ALA HA H 1 . 5.98 . . 0.35 . . . 83 ALA HN . 83 ALA HA . 15724 1 89 3JHNHA . 1 1 83 83 GLN HN H 1 . . 1 1 83 83 GLN HA H 1 . 3.26 . . 0.35 . . . 84 GLN HN . 84 GLN HA . 15724 1 90 3JHNHA . 1 1 84 84 GLY HN H 1 . . 1 1 84 84 GLY HA2 H 1 . 6.02 . . 0.35 . . . 85 GLY HN . 85 GLY HA2 . 15724 1 91 3JHNHA . 1 1 84 84 GLY HN H 1 . . 1 1 84 84 GLY HA3 H 1 . 5.14 . . 0.35 . . . 85 GLY HN . 85 GLY HA3 . 15724 1 92 3JHNHA . 1 1 85 85 ARG HN H 1 . . 1 1 85 85 ARG HA H 1 . 6.87 . . 0.35 . . . 86 ARG HN . 86 ARG HA . 15724 1 93 3JHNHA . 1 1 86 86 LYS HN H 1 . . 1 1 86 86 LYS HA H 1 . 6.86 . . 0.35 . . . 87 LYS HN . 87 LYS HA . 15724 1 94 3JHNHA . 1 1 87 87 VAL HN H 1 . . 1 1 87 87 VAL HA H 1 . 9.70 . . 0.35 . . . 88 VAL HN . 88 VAL HA . 15724 1 95 3JHNHA . 1 1 88 88 ALA HN H 1 . . 1 1 88 88 ALA HA H 1 . 6.23 . . 0.35 . . . 89 ALA HN . 89 ALA HA . 15724 1 96 3JHNHA . 1 1 89 89 CYS HN H 1 . . 1 1 89 89 CYS HA H 1 . 9.73 . . 0.35 . . . 90 CYS HN . 90 CYS HA . 15724 1 97 3JHNHA . 1 1 90 90 PHE HN H 1 . . 1 1 90 90 PHE HA H 1 . 8.35 . . 0.35 . . . 91 PHE HN . 91 PHE HA . 15724 1 98 3JHNHA . 1 1 91 91 GLY HN H 1 . . 1 1 91 91 GLY HA2 H 1 . 2.02 . . 0.35 . . . 92 GLY HN . 92 GLY HA2 . 15724 1 99 3JHNHA . 1 1 91 91 GLY HN H 1 . . 1 1 91 91 GLY HA3 H 1 . 4.78 . . 0.35 . . . 92 GLY HN . 92 GLY HA3 . 15724 1 100 3JHNHA . 1 1 92 92 CYS HN H 1 . . 1 1 92 92 CYS HA H 1 . 9.60 . . 0.35 . . . 93 CYS HN . 93 CYS HA . 15724 1 101 3JHNHA . 1 1 93 93 GLY HN H 1 . . 1 1 93 93 GLY HA2 H 1 . 7.04 . . 0.35 . . . 94 GLY HN . 94 GLY HA2 . 15724 1 102 3JHNHA . 1 1 93 93 GLY HN H 1 . . 1 1 93 93 GLY HA3 H 1 . 1.26 . . 0.35 . . . 94 GLY HN . 94 GLY HA3 . 15724 1 103 3JHNHA . 1 1 94 94 ASP HN H 1 . . 1 1 94 94 ASP HA H 1 . 8.01 . . 0.35 . . . 95 ASP HN . 95 ASP HA . 15724 1 104 3JHNHA . 1 1 95 95 SER HN H 1 . . 1 1 95 95 SER HA H 1 . 4.75 . . 0.35 . . . 96 SER HN . 96 SER HA . 15724 1 105 3JHNHA . 1 1 96 96 SER HN H 1 . . 1 1 96 96 SER HA H 1 . 7.03 . . 0.35 . . . 97 SER HN . 97 SER HA . 15724 1 106 3JHNHA . 1 1 97 97 TYR HN H 1 . . 1 1 97 97 TYR HA H 1 . 8.90 . . 0.35 . . . 98 TYR HN . 98 TYR HA . 15724 1 107 3JHNHA . 1 1 98 98 GLU HN H 1 . . 1 1 98 98 GLU HA H 1 . 4.51 . . 0.35 . . . 99 GLU HN . 99 GLU HA . 15724 1 108 3JHNHA . 1 1 99 99 TYR HN H 1 . . 1 1 99 99 TYR HA H 1 . 8.00 . . 0.35 . . . 100 TYR HN . 100 TYR HA . 15724 1 109 3JHNHA . 1 1 100 100 PHE HN H 1 . . 1 1 100 100 PHE HA H 1 . 3.00 . . 0.35 . . . 101 PHE HN . 101 PHE HA . 15724 1 110 3JHNHA . 1 1 101 101 CYS HN H 1 . . 1 1 101 101 CYS HA H 1 . 7.06 . . 0.35 . . . 102 CYS HN . 102 CYS HA . 15724 1 111 3JHNHA . 1 1 102 102 GLY HN H 1 . . 1 1 102 102 GLY HA2 H 1 . 2.81 . . 0.35 . . . 103 GLY HN . 103 GLY HA2 . 15724 1 112 3JHNHA . 1 1 102 102 GLY HN H 1 . . 1 1 102 102 GLY HA3 H 1 . 6.05 . . 0.35 . . . 103 GLY HN . 103 GLY HA3 . 15724 1 113 3JHNHA . 1 1 103 103 ALA HN H 1 . . 1 1 103 103 ALA HA H 1 . 5.59 . . 0.35 . . . 104 ALA HN . 104 ALA HA . 15724 1 114 3JHNHA . 1 1 104 104 VAL HN H 1 . . 1 1 104 104 VAL HA H 1 . 4.42 . . 0.35 . . . 105 VAL HN . 105 VAL HA . 15724 1 115 3JHNHA . 1 1 105 105 ASP HN H 1 . . 1 1 105 105 ASP HA H 1 . 3.86 . . 0.35 . . . 106 ASP HN . 106 ASP HA . 15724 1 116 3JHNHA . 1 1 106 106 ALA HN H 1 . . 1 1 106 106 ALA HA H 1 . 2.88 . . 0.35 . . . 107 ALA HN . 107 ALA HA . 15724 1 117 3JHNHA . 1 1 107 107 ILE HN H 1 . . 1 1 107 107 ILE HA H 1 . 6.20 . . 0.35 . . . 108 ILE HN . 108 ILE HA . 15724 1 118 3JHNHA . 1 1 108 108 GLU HN H 1 . . 1 1 108 108 GLU HA H 1 . 3.28 . . 0.35 . . . 109 GLU HN . 109 GLU HA . 15724 1 119 3JHNHA . 1 1 109 109 GLU HN H 1 . . 1 1 109 109 GLU HA H 1 . 3.63 . . 0.35 . . . 110 GLU HN . 110 GLU HA . 15724 1 120 3JHNHA . 1 1 110 110 LYS HN H 1 . . 1 1 110 110 LYS HA H 1 . 5.20 . . 0.35 . . . 111 LYS HN . 111 LYS HA . 15724 1 121 3JHNHA . 1 1 112 112 LYS HN H 1 . . 1 1 112 112 LYS HA H 1 . 4.06 . . 0.35 . . . 113 LYS HN . 113 LYS HA . 15724 1 122 3JHNHA . 1 1 113 113 ASN HN H 1 . . 1 1 113 113 ASN HA H 1 . 4.50 . . 0.35 . . . 114 ASN HN . 114 ASN HA . 15724 1 123 3JHNHA . 1 1 114 114 LEU HN H 1 . . 1 1 114 114 LEU HA H 1 . 7.82 . . 0.35 . . . 115 LEU HN . 115 LEU HA . 15724 1 124 3JHNHA . 1 1 115 115 GLY HN H 1 . . 1 1 115 115 GLY HA2 H 1 . 4.57 . . 0.35 . . . 116 GLY HN . 116 GLY HA2 . 15724 1 125 3JHNHA . 1 1 115 115 GLY HN H 1 . . 1 1 115 115 GLY HA3 H 1 . 6.65 . . 0.35 . . . 116 GLY HN . 116 GLY HA3 . 15724 1 126 3JHNHA . 1 1 116 116 ALA HN H 1 . . 1 1 116 116 ALA HA H 1 . 6.05 . . 0.35 . . . 117 ALA HN . 117 ALA HA . 15724 1 127 3JHNHA . 1 1 117 117 GLU HN H 1 . . 1 1 117 117 GLU HA H 1 . 7.25 . . 0.35 . . . 118 GLU HN . 118 GLU HA . 15724 1 128 3JHNHA . 1 1 118 118 ILE HN H 1 . . 1 1 118 118 ILE HA H 1 . 6.44 . . 0.35 . . . 119 ILE HN . 119 ILE HA . 15724 1 129 3JHNHA . 1 1 119 119 VAL HN H 1 . . 1 1 119 119 VAL HA H 1 . 5.71 . . 0.35 . . . 120 VAL HN . 120 VAL HA . 15724 1 130 3JHNHA . 1 1 120 120 GLN HN H 1 . . 1 1 120 120 GLN HA H 1 . 6.30 . . 0.35 . . . 121 GLN HN . 121 GLN HA . 15724 1 131 3JHNHA . 1 1 121 121 ASP HN H 1 . . 1 1 121 121 ASP HA H 1 . 4.60 . . 0.35 . . . 122 ASP HN . 122 ASP HA . 15724 1 132 3JHNHA . 1 1 122 122 GLY HN H 1 . . 1 1 122 122 GLY HA2 H 1 . 1.87 . . 0.35 . . . 123 GLY HN . 123 GLY HA2 . 15724 1 133 3JHNHA . 1 1 122 122 GLY HN H 1 . . 1 1 122 122 GLY HA3 H 1 . 5.12 . . 0.35 . . . 123 GLY HN . 123 GLY HA3 . 15724 1 134 3JHNHA . 1 1 123 123 LEU HN H 1 . . 1 1 123 123 LEU HA H 1 . 7.81 . . 0.35 . . . 124 LEU HN . 124 LEU HA . 15724 1 135 3JHNHA . 1 1 124 124 ARG HN H 1 . . 1 1 124 124 ARG HA H 1 . 9.10 . . 0.35 . . . 125 ARG HN . 125 ARG HA . 15724 1 136 3JHNHA . 1 1 125 125 ILE HN H 1 . . 1 1 125 125 ILE HA H 1 . 8.80 . . 0.35 . . . 126 ILE HN . 126 ILE HA . 15724 1 137 3JHNHA . 1 1 126 126 ASP HN H 1 . . 1 1 126 126 ASP HA H 1 . 9.04 . . 0.35 . . . 127 ASP HN . 127 ASP HA . 15724 1 138 3JHNHA . 1 1 127 127 GLY HN H 1 . . 1 1 127 127 GLY HA2 H 1 . 5.52 . . 0.35 . . . 128 GLY HN . 128 GLY HA2 . 15724 1 139 3JHNHA . 1 1 127 127 GLY HN H 1 . . 1 1 127 127 GLY HA3 H 1 . 5.73 . . 0.35 . . . 128 GLY HN . 128 GLY HA3 . 15724 1 140 3JHNHA . 1 1 128 128 ASP HN H 1 . . 1 1 128 128 ASP HA H 1 . 3.70 . . 0.35 . . . 129 ASP HN . 129 ASP HA . 15724 1 141 3JHNHA . 1 1 130 130 ARG HN H 1 . . 1 1 130 130 ARG HA H 1 . 5.84 . . 0.35 . . . 131 ARG HN . 131 ARG HA . 15724 1 142 3JHNHA . 1 1 131 131 ALA HN H 1 . . 1 1 131 131 ALA HA H 1 . 8.04 . . 0.35 . . . 132 ALA HN . 132 ALA HA . 15724 1 143 3JHNHA . 1 1 132 132 ALA HN H 1 . . 1 1 132 132 ALA HA H 1 . 9.35 . . 0.35 . . . 133 ALA HN . 133 ALA HA . 15724 1 144 3JHNHA . 1 1 133 133 ARG HN H 1 . . 1 1 133 133 ARG HA H 1 . 1.04 . . 0.35 . . . 134 ARG HN . 134 ARG HA . 15724 1 145 3JHNHA . 1 1 134 134 ASP HN H 1 . . 1 1 134 134 ASP HA H 1 . 4.18 . . 0.35 . . . 135 ASP HN . 135 ASP HA . 15724 1 146 3JHNHA . 1 1 135 135 ASP HN H 1 . . 1 1 135 135 ASP HA H 1 . 6.00 . . 0.35 . . . 136 ASP HN . 136 ASP HA . 15724 1 147 3JHNHA . 1 1 136 136 ILE HN H 1 . . 1 1 136 136 ILE HA H 1 . 5.40 . . 0.35 . . . 137 ILE HN . 137 ILE HA . 15724 1 148 3JHNHA . 1 1 137 137 VAL HN H 1 . . 1 1 137 137 VAL HA H 1 . 4.34 . . 0.35 . . . 138 VAL HN . 138 VAL HA . 15724 1 149 3JHNHA . 1 1 138 138 GLY HN H 1 . . 1 1 138 138 GLY HA2 H 1 . 3.71 . . 0.35 . . . 139 GLY HN . 139 GLY HA2 . 15724 1 150 3JHNHA . 1 1 138 138 GLY HN H 1 . . 1 1 138 138 GLY HA3 H 1 . 5.89 . . 0.35 . . . 139 GLY HN . 139 GLY HA3 . 15724 1 151 3JHNHA . 1 1 139 139 TRP HN H 1 . . 1 1 139 139 TRP HA H 1 . 4.96 . . 0.35 . . . 140 TRP HN . 140 TRP HA . 15724 1 152 3JHNHA . 1 1 140 140 ALA HN H 1 . . 1 1 140 140 ALA HA H 1 . 4.24 . . 0.35 . . . 141 ALA HN . 141 ALA HA . 15724 1 153 3JHNHA . 1 1 141 141 HIS HN H 1 . . 1 1 141 141 HIS HA H 1 . 4.60 . . 0.35 . . . 142 HIS HN . 142 HIS HA . 15724 1 154 3JHNHA . 1 1 142 142 ASP HN H 1 . . 1 1 142 142 ASP HA H 1 . 5.69 . . 0.35 . . . 143 ASP HN . 143 ASP HA . 15724 1 155 3JHNHA . 1 1 143 143 VAL HN H 1 . . 1 1 143 143 VAL HA H 1 . 4.58 . . 0.35 . . . 144 VAL HN . 144 VAL HA . 15724 1 156 3JHNHA . 1 1 144 144 ARG HN H 1 . . 1 1 144 144 ARG HA H 1 . 6.19 . . 0.35 . . . 145 ARG HN . 145 ARG HA . 15724 1 157 3JHNHA . 1 1 145 145 GLY HN H 1 . . 1 1 145 145 GLY HA2 H 1 . 5.71 . . 0.35 . . . 146 GLY HN . 146 GLY HA2 . 15724 1 158 3JHNHA . 1 1 145 145 GLY HN H 1 . . 1 1 145 145 GLY HA3 H 1 . 4.93 . . 0.35 . . . 146 GLY HN . 146 GLY HA3 . 15724 1 159 3JHNHA . 1 1 146 146 ALA HN H 1 . . 1 1 146 146 ALA HA H 1 . 7.35 . . 0.35 . . . 147 ALA HN . 147 ALA HA . 15724 1 160 3JHNHA . 1 1 147 147 ILE HN H 1 . . 1 1 147 147 ILE HA H 1 . 8.95 . . 0.35 . . . 148 ILE HN . 148 ILE HA . 15724 1 stop_ save_ save_3JHNCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCO _Coupling_constant_list.Entry_ID 15724 _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 . _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 heteronuclear relayed E.COSY' . . . 15724 2 3 '3D CO-coupled (H)CANNH' . . . 15724 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 2 2 LYS HN H 1 . . 1 1 2 2 LYS C C 13 . 0.18 . . 0.35 . . . 3 LYS HN . 3 LYS C . 15724 2 2 3JHNCO . 1 1 3 3 ALA HN H 1 . . 1 1 3 3 ALA C C 13 . 0.97 . . 0.35 . . . 4 ALA HN . 4 ALA C . 15724 2 3 3JHNCO . 1 1 4 4 LEU HN H 1 . . 1 1 4 4 LEU C C 13 . 0.67 . . 0.35 . . . 5 LEU HN . 5 LEU C . 15724 2 4 3JHNCO . 1 1 5 5 ILE HN H 1 . . 1 1 5 5 ILE C C 13 . 1.15 . . 0.35 . . . 6 ILE HN . 6 ILE C . 15724 2 5 3JHNCO . 1 1 6 6 VAL HN H 1 . . 1 1 6 6 VAL C C 13 . 0.93 . . 0.35 . . . 7 VAL HN . 7 VAL C . 15724 2 6 3JHNCO . 1 1 7 7 TYR HN H 1 . . 1 1 7 7 TYR C C 13 . 0.91 . . 0.35 . . . 8 TYR HN . 8 TYR C . 15724 2 7 3JHNCO . 1 1 9 9 SER HN H 1 . . 1 1 9 9 SER C C 13 . 1.79 . . 0.35 . . . 10 SER HN . 10 SER C . 15724 2 8 3JHNCO . 1 1 10 10 THR HN H 1 . . 1 1 10 10 THR C C 13 . -0.59 . . 0.35 . . . 11 THR HN . 11 THR C . 15724 2 9 3JHNCO . 1 1 11 11 THR HN H 1 . . 1 1 11 11 THR C C 13 . 0.32 . . 0.35 . . . 12 THR HN . 12 THR C . 15724 2 10 3JHNCO . 1 1 12 12 GLY HN H 1 . . 1 1 12 12 GLY C C 13 . -0.10 . . 0.35 . . . 13 GLY HN . 13 GLY C . 15724 2 11 3JHNCO . 1 1 13 13 ASN HN H 1 . . 1 1 13 13 ASN C C 13 . 0.80 . . 0.35 . . . 14 ASN HN . 14 ASN C . 15724 2 12 3JHNCO . 1 1 15 15 GLU HN H 1 . . 1 1 15 15 GLU C C 13 . 0.32 . . 0.35 . . . 16 GLU HN . 16 GLU C . 15724 2 13 3JHNCO . 1 1 16 16 TYR HN H 1 . . 1 1 16 16 TYR C C 13 . 1.70 . . 0.35 . . . 17 TYR HN . 17 TYR C . 15724 2 14 3JHNCO . 1 1 17 17 THR HN H 1 . . 1 1 17 17 THR C C 13 . 1.63 . . 0.35 . . . 18 THR HN . 18 THR C . 15724 2 15 3JHNCO . 1 1 18 18 ALA HN H 1 . . 1 1 18 18 ALA C C 13 . 1.61 . . 0.35 . . . 19 ALA HN . 19 ALA C . 15724 2 16 3JHNCO . 1 1 19 19 GLU HN H 1 . . 1 1 19 19 GLU C C 13 . 1.66 . . 0.35 . . . 20 GLU HN . 20 GLU C . 15724 2 17 3JHNCO . 1 1 20 20 THR HN H 1 . . 1 1 20 20 THR C C 13 . 1.17 . . 0.35 . . . 21 THR HN . 21 THR C . 15724 2 18 3JHNCO . 1 1 21 21 ILE HN H 1 . . 1 1 21 21 ILE C C 13 . 1.31 . . 0.35 . . . 22 ILE HN . 22 ILE C . 15724 2 19 3JHNCO . 1 1 22 22 ALA HN H 1 . . 1 1 22 22 ALA C C 13 . 2.60 . . 0.35 . . . 23 ALA HN . 23 ALA C . 15724 2 20 3JHNCO . 1 1 23 23 ARG HN H 1 . . 1 1 23 23 ARG C C 13 . 1.55 . . 0.35 . . . 24 ARG HN . 24 ARG C . 15724 2 21 3JHNCO . 1 1 25 25 LEU HN H 1 . . 1 1 25 25 LEU C C 13 . 1.09 . . 0.35 . . . 26 LEU HN . 26 LEU C . 15724 2 22 3JHNCO . 1 1 26 26 ALA HN H 1 . . 1 1 26 26 ALA C C 13 . 1.30 . . 0.35 . . . 27 ALA HN . 27 ALA C . 15724 2 23 3JHNCO . 1 1 27 27 ASP HN H 1 . . 1 1 27 27 ASP C C 13 . 1.47 . . 0.35 . . . 28 ASP HN . 28 ASP C . 15724 2 24 3JHNCO . 1 1 28 28 ALA HN H 1 . . 1 1 28 28 ALA C C 13 . 0.28 . . 0.35 . . . 29 ALA HN . 29 ALA C . 15724 2 25 3JHNCO . 1 1 29 29 GLY HN H 1 . . 1 1 29 29 GLY C C 13 . 0.60 . . 0.35 . . . 30 GLY HN . 30 GLY C . 15724 2 26 3JHNCO . 1 1 30 30 TYR HN H 1 . . 1 1 30 30 TYR C C 13 . -0.15 . . 0.35 . . . 31 TYR HN . 31 TYR C . 15724 2 27 3JHNCO . 1 1 31 31 GLU HN H 1 . . 1 1 31 31 GLU C C 13 . 0.10 . . 0.35 . . . 32 GLU HN . 32 GLU C . 15724 2 28 3JHNCO . 1 1 32 32 VAL HN H 1 . . 1 1 32 32 VAL C C 13 . 0.31 . . 0.35 . . . 33 VAL HN . 33 VAL C . 15724 2 29 3JHNCO . 1 1 33 33 ASP HN H 1 . . 1 1 33 33 ASP C C 13 . 0.94 . . 0.35 . . . 34 ASP HN . 34 ASP C . 15724 2 30 3JHNCO . 1 1 34 34 SER HN H 1 . . 1 1 34 34 SER C C 13 . 0.58 . . 0.35 . . . 35 SER HN . 35 SER C . 15724 2 31 3JHNCO . 1 1 35 35 ARG HN H 1 . . 1 1 35 35 ARG C C 13 . 0.90 . . 0.35 . . . 36 ARG HN . 36 ARG C . 15724 2 32 3JHNCO . 1 1 36 36 ASP HN H 1 . . 1 1 36 36 ASP C C 13 . 0.21 . . 0.35 . . . 37 ASP HN . 37 ASP C . 15724 2 33 3JHNCO . 1 1 37 37 ALA HN H 1 . . 1 1 37 37 ALA C C 13 . 2.53 . . 0.35 . . . 38 ALA HN . 38 ALA C . 15724 2 34 3JHNCO . 1 1 38 38 ALA HN H 1 . . 1 1 38 38 ALA C C 13 . 1.53 . . 0.35 . . . 39 ALA HN . 39 ALA C . 15724 2 35 3JHNCO . 1 1 39 39 SER HN H 1 . . 1 1 39 39 SER C C 13 . 0.13 . . 0.35 . . . 40 SER HN . 40 SER C . 15724 2 36 3JHNCO . 1 1 40 40 VAL HN H 1 . . 1 1 40 40 VAL C C 13 . 0.30 . . 0.35 . . . 41 VAL HN . 41 VAL C . 15724 2 37 3JHNCO . 1 1 41 41 GLU HN H 1 . . 1 1 41 41 GLU C C 13 . 0.65 . . 0.35 . . . 42 GLU HN . 42 GLU C . 15724 2 38 3JHNCO . 1 1 42 42 ALA HN H 1 . . 1 1 42 42 ALA C C 13 . 1.63 . . 0.35 . . . 43 ALA HN . 43 ALA C . 15724 2 39 3JHNCO . 1 1 43 43 GLY HN H 1 . . 1 1 43 43 GLY C C 13 . 2.30 . . 0.35 . . . 44 GLY HN . 44 GLY C . 15724 2 40 3JHNCO . 1 1 44 44 GLY HN H 1 . . 1 1 44 44 GLY C C 13 . 0.80 . . 0.35 . . . 45 GLY HN . 45 GLY C . 15724 2 41 3JHNCO . 1 1 45 45 LEU HN H 1 . . 1 1 45 45 LEU C C 13 . 3.40 . . 0.35 . . . 46 LEU HN . 46 LEU C . 15724 2 42 3JHNCO . 1 1 46 46 PHE HN H 1 . . 1 1 46 46 PHE C C 13 . 0.00 . . 0.35 . . . 47 PHE HN . 47 PHE C . 15724 2 43 3JHNCO . 1 1 47 47 GLU HN H 1 . . 1 1 47 47 GLU C C 13 . 1.37 . . 0.35 . . . 48 GLU HN . 48 GLU C . 15724 2 44 3JHNCO . 1 1 49 49 PHE HN H 1 . . 1 1 49 49 PHE C C 13 . -0.17 . . 0.35 . . . 50 PHE HN . 50 PHE C . 15724 2 45 3JHNCO . 1 1 50 50 ASP HN H 1 . . 1 1 50 50 ASP C C 13 . -1.10 . . 0.35 . . . 51 ASP HN . 51 ASP C . 15724 2 46 3JHNCO . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU C C 13 . 1.60 . . 0.35 . . . 52 LEU HN . 52 LEU C . 15724 2 47 3JHNCO . 1 1 52 52 VAL HN H 1 . . 1 1 52 52 VAL C C 13 . 0.35 . . 0.35 . . . 53 VAL HN . 53 VAL C . 15724 2 48 3JHNCO . 1 1 53 53 LEU HN H 1 . . 1 1 53 53 LEU C C 13 . 0.60 . . 0.35 . . . 54 LEU HN . 54 LEU C . 15724 2 49 3JHNCO . 1 1 56 56 CYS HN H 1 . . 1 1 56 56 CYS C C 13 . 1.91 . . 0.35 . . . 57 CYS HN . 57 CYS C . 15724 2 50 3JHNCO . 1 1 57 57 SER HN H 1 . . 1 1 57 57 SER C C 13 . 0.10 . . 0.35 . . . 58 SER HN . 58 SER C . 15724 2 51 3JHNCO . 1 1 58 58 THR HN H 1 . . 1 1 58 58 THR C C 13 . 0.06 . . 0.35 . . . 59 THR HN . 59 THR C . 15724 2 52 3JHNCO . 1 1 59 59 TRP HN H 1 . . 1 1 59 59 TRP C C 13 . 1.56 . . 0.35 . . . 60 TRP HN . 60 TRP C . 15724 2 53 3JHNCO . 1 1 60 60 GLY HN H 1 . . 1 1 60 60 GLY C C 13 . -0.60 . . 0.35 . . . 61 GLY HN . 61 GLY C . 15724 2 54 3JHNCO . 1 1 61 61 ASP HN H 1 . . 1 1 61 61 ASP C C 13 . 1.66 . . 0.35 . . . 62 ASP HN . 62 ASP C . 15724 2 55 3JHNCO . 1 1 62 62 ASP HN H 1 . . 1 1 62 62 ASP C C 13 . 2.38 . . 0.35 . . . 63 ASP HN . 63 ASP C . 15724 2 56 3JHNCO . 1 1 63 63 SER HN H 1 . . 1 1 63 63 SER C C 13 . 2.66 . . 0.35 . . . 64 SER HN . 64 SER C . 15724 2 57 3JHNCO . 1 1 64 64 ILE HN H 1 . . 1 1 64 64 ILE C C 13 . 1.02 . . 0.35 . . . 65 ILE HN . 65 ILE C . 15724 2 58 3JHNCO . 1 1 65 65 GLU HN H 1 . . 1 1 65 65 GLU C C 13 . 2.07 . . 0.35 . . . 66 GLU HN . 66 GLU C . 15724 2 59 3JHNCO . 1 1 66 66 LEU HN H 1 . . 1 1 66 66 LEU C C 13 . 0.24 . . 0.35 . . . 67 LEU HN . 67 LEU C . 15724 2 60 3JHNCO . 1 1 67 67 GLN HN H 1 . . 1 1 67 67 GLN C C 13 . 1.67 . . 0.35 . . . 68 GLN HN . 68 GLN C . 15724 2 61 3JHNCO . 1 1 69 69 ASP HN H 1 . . 1 1 69 69 ASP C C 13 . 0.09 . . 0.35 . . . 70 ASP HN . 70 ASP C . 15724 2 62 3JHNCO . 1 1 70 70 PHE HN H 1 . . 1 1 70 70 PHE C C 13 . 0.07 . . 0.35 . . . 71 PHE HN . 71 PHE C . 15724 2 63 3JHNCO . 1 1 71 71 ILE HN H 1 . . 1 1 71 71 ILE C C 13 . 2.09 . . 0.35 . . . 72 ILE HN . 72 ILE C . 15724 2 64 3JHNCO . 1 1 73 73 LEU HN H 1 . . 1 1 73 73 LEU C C 13 . 0.52 . . 0.35 . . . 74 LEU HN . 74 LEU C . 15724 2 65 3JHNCO . 1 1 74 74 PHE HN H 1 . . 1 1 74 74 PHE C C 13 . 1.42 . . 0.35 . . . 75 PHE HN . 75 PHE C . 15724 2 66 3JHNCO . 1 1 75 75 ASP HN H 1 . . 1 1 75 75 ASP C C 13 . 1.48 . . 0.35 . . . 76 ASP HN . 76 ASP C . 15724 2 67 3JHNCO . 1 1 76 76 SER HN H 1 . . 1 1 76 76 SER C C 13 . 0.35 . . 0.35 . . . 77 SER HN . 77 SER C . 15724 2 68 3JHNCO . 1 1 77 77 LEU HN H 1 . . 1 1 77 77 LEU C C 13 . 3.24 . . 0.35 . . . 78 LEU HN . 78 LEU C . 15724 2 69 3JHNCO . 1 1 78 78 GLU HN H 1 . . 1 1 78 78 GLU C C 13 . 2.05 . . 0.35 . . . 79 GLU HN . 79 GLU C . 15724 2 70 3JHNCO . 1 1 79 79 GLU HN H 1 . . 1 1 79 79 GLU C C 13 . -0.30 . . 0.35 . . . 80 GLU HN . 80 GLU C . 15724 2 71 3JHNCO . 1 1 80 80 THR HN H 1 . . 1 1 80 80 THR C C 13 . 0.79 . . 0.35 . . . 81 THR HN . 81 THR C . 15724 2 72 3JHNCO . 1 1 81 81 GLY HN H 1 . . 1 1 81 81 GLY C C 13 . -0.10 . . 0.35 . . . 82 GLY HN . 82 GLY C . 15724 2 73 3JHNCO . 1 1 82 82 ALA HN H 1 . . 1 1 82 82 ALA C C 13 . 1.21 . . 0.35 . . . 83 ALA HN . 83 ALA C . 15724 2 74 3JHNCO . 1 1 83 83 GLN HN H 1 . . 1 1 83 83 GLN C C 13 . 1.20 . . 0.35 . . . 84 GLN HN . 84 GLN C . 15724 2 75 3JHNCO . 1 1 84 84 GLY HN H 1 . . 1 1 84 84 GLY C C 13 . 0.20 . . 0.35 . . . 85 GLY HN . 85 GLY C . 15724 2 76 3JHNCO . 1 1 85 85 ARG HN H 1 . . 1 1 85 85 ARG C C 13 . -0.12 . . 0.35 . . . 86 ARG HN . 86 ARG C . 15724 2 77 3JHNCO . 1 1 86 86 LYS HN H 1 . . 1 1 86 86 LYS C C 13 . 0.34 . . 0.35 . . . 87 LYS HN . 87 LYS C . 15724 2 78 3JHNCO . 1 1 87 87 VAL HN H 1 . . 1 1 87 87 VAL C C 13 . 0.89 . . 0.35 . . . 88 VAL HN . 88 VAL C . 15724 2 79 3JHNCO . 1 1 88 88 ALA HN H 1 . . 1 1 88 88 ALA C C 13 . 3.27 . . 0.35 . . . 89 ALA HN . 89 ALA C . 15724 2 80 3JHNCO . 1 1 89 89 CYS HN H 1 . . 1 1 89 89 CYS C C 13 . -0.07 . . 0.35 . . . 90 CYS HN . 90 CYS C . 15724 2 81 3JHNCO . 1 1 90 90 PHE HN H 1 . . 1 1 90 90 PHE C C 13 . 2.06 . . 0.35 . . . 91 PHE HN . 91 PHE C . 15724 2 82 3JHNCO . 1 1 91 91 GLY HN H 1 . . 1 1 91 91 GLY C C 13 . 2.70 . . 0.35 . . . 92 GLY HN . 92 GLY C . 15724 2 83 3JHNCO . 1 1 92 92 CYS HN H 1 . . 1 1 92 92 CYS C C 13 . 0.12 . . 0.35 . . . 93 CYS HN . 93 CYS C . 15724 2 84 3JHNCO . 1 1 93 93 GLY HN H 1 . . 1 1 93 93 GLY C C 13 . 2.20 . . 0.35 . . . 94 GLY HN . 94 GLY C . 15724 2 85 3JHNCO . 1 1 94 94 ASP HN H 1 . . 1 1 94 94 ASP C C 13 . 1.94 . . 0.35 . . . 95 ASP HN . 95 ASP C . 15724 2 86 3JHNCO . 1 1 95 95 SER HN H 1 . . 1 1 95 95 SER C C 13 . 1.05 . . 0.35 . . . 96 SER HN . 96 SER C . 15724 2 87 3JHNCO . 1 1 96 96 SER HN H 1 . . 1 1 96 96 SER C C 13 . 0.31 . . 0.35 . . . 97 SER HN . 97 SER C . 15724 2 88 3JHNCO . 1 1 97 97 TYR HN H 1 . . 1 1 97 97 TYR C C 13 . -0.06 . . 0.35 . . . 98 TYR HN . 98 TYR C . 15724 2 89 3JHNCO . 1 1 98 98 GLU HN H 1 . . 1 1 98 98 GLU C C 13 . 2.04 . . 0.35 . . . 99 GLU HN . 99 GLU C . 15724 2 90 3JHNCO . 1 1 99 99 TYR HN H 1 . . 1 1 99 99 TYR C C 13 . 1.28 . . 0.35 . . . 100 TYR HN . 100 TYR C . 15724 2 91 3JHNCO . 1 1 100 100 PHE HN H 1 . . 1 1 100 100 PHE C C 13 . 1.20 . . 0.35 . . . 101 PHE HN . 101 PHE C . 15724 2 92 3JHNCO . 1 1 101 101 CYS HN H 1 . . 1 1 101 101 CYS C C 13 . 3.07 . . 0.35 . . . 102 CYS HN . 102 CYS C . 15724 2 93 3JHNCO . 1 1 102 102 GLY HN H 1 . . 1 1 102 102 GLY C C 13 . 3.50 . . 0.35 . . . 103 GLY HN . 103 GLY C . 15724 2 94 3JHNCO . 1 1 103 103 ALA HN H 1 . . 1 1 103 103 ALA C C 13 . 0.67 . . 0.35 . . . 104 ALA HN . 104 ALA C . 15724 2 95 3JHNCO . 1 1 104 104 VAL HN H 1 . . 1 1 104 104 VAL C C 13 . 0.56 . . 0.35 . . . 105 VAL HN . 105 VAL C . 15724 2 96 3JHNCO . 1 1 105 105 ASP HN H 1 . . 1 1 105 105 ASP C C 13 . 1.94 . . 0.35 . . . 106 ASP HN . 106 ASP C . 15724 2 97 3JHNCO . 1 1 106 106 ALA HN H 1 . . 1 1 106 106 ALA C C 13 . 1.57 . . 0.35 . . . 107 ALA HN . 107 ALA C . 15724 2 98 3JHNCO . 1 1 107 107 ILE HN H 1 . . 1 1 107 107 ILE C C 13 . 0.93 . . 0.35 . . . 108 ILE HN . 108 ILE C . 15724 2 99 3JHNCO . 1 1 108 108 GLU HN H 1 . . 1 1 108 108 GLU C C 13 . 1.72 . . 0.35 . . . 109 GLU HN . 109 GLU C . 15724 2 100 3JHNCO . 1 1 109 109 GLU HN H 1 . . 1 1 109 109 GLU C C 13 . 1.88 . . 0.35 . . . 110 GLU HN . 110 GLU C . 15724 2 101 3JHNCO . 1 1 110 110 LYS HN H 1 . . 1 1 110 110 LYS C C 13 . 0.94 . . 0.35 . . . 111 LYS HN . 111 LYS C . 15724 2 102 3JHNCO . 1 1 111 111 LEU HN H 1 . . 1 1 111 111 LEU C C 13 . 1.43 . . 0.35 . . . 112 LEU HN . 112 LEU C . 15724 2 103 3JHNCO . 1 1 112 112 LYS HN H 1 . . 1 1 112 112 LYS C C 13 . 1.57 . . 0.35 . . . 113 LYS HN . 113 LYS C . 15724 2 104 3JHNCO . 1 1 113 113 ASN HN H 1 . . 1 1 113 113 ASN C C 13 . 1.30 . . 0.35 . . . 114 ASN HN . 114 ASN C . 15724 2 105 3JHNCO . 1 1 114 114 LEU HN H 1 . . 1 1 114 114 LEU C C 13 . 0.40 . . 0.35 . . . 115 LEU HN . 115 LEU C . 15724 2 106 3JHNCO . 1 1 115 115 GLY HN H 1 . . 1 1 115 115 GLY C C 13 . -0.10 . . 0.35 . . . 116 GLY HN . 116 GLY C . 15724 2 107 3JHNCO . 1 1 116 116 ALA HN H 1 . . 1 1 116 116 ALA C C 13 . 0.55 . . 0.35 . . . 117 ALA HN . 117 ALA C . 15724 2 108 3JHNCO . 1 1 117 117 GLU HN H 1 . . 1 1 117 117 GLU C C 13 . 0.18 . . 0.35 . . . 118 GLU HN . 118 GLU C . 15724 2 109 3JHNCO . 1 1 118 118 ILE HN H 1 . . 1 1 118 118 ILE C C 13 . 0.56 . . 0.35 . . . 119 ILE HN . 119 ILE C . 15724 2 110 3JHNCO . 1 1 119 119 VAL HN H 1 . . 1 1 119 119 VAL C C 13 . 1.09 . . 0.35 . . . 120 VAL HN . 120 VAL C . 15724 2 111 3JHNCO . 1 1 120 120 GLN HN H 1 . . 1 1 120 120 GLN C C 13 . 3.04 . . 0.35 . . . 121 GLN HN . 121 GLN C . 15724 2 112 3JHNCO . 1 1 121 121 ASP HN H 1 . . 1 1 121 121 ASP C C 13 . 1.93 . . 0.35 . . . 122 ASP HN . 122 ASP C . 15724 2 113 3JHNCO . 1 1 122 122 GLY HN H 1 . . 1 1 122 122 GLY C C 13 . 2.30 . . 0.35 . . . 123 GLY HN . 123 GLY C . 15724 2 114 3JHNCO . 1 1 123 123 LEU HN H 1 . . 1 1 123 123 LEU C C 13 . -0.24 . . 0.35 . . . 124 LEU HN . 124 LEU C . 15724 2 115 3JHNCO . 1 1 124 124 ARG HN H 1 . . 1 1 124 124 ARG C C 13 . 1.06 . . 0.35 . . . 125 ARG HN . 125 ARG C . 15724 2 116 3JHNCO . 1 1 125 125 ILE HN H 1 . . 1 1 125 125 ILE C C 13 . -0.58 . . 0.35 . . . 126 ILE HN . 126 ILE C . 15724 2 117 3JHNCO . 1 1 126 126 ASP HN H 1 . . 1 1 126 126 ASP C C 13 . 0.46 . . 0.35 . . . 127 ASP HN . 127 ASP C . 15724 2 118 3JHNCO . 1 1 127 127 GLY HN H 1 . . 1 1 127 127 GLY C C 13 . 1.10 . . 0.35 . . . 128 GLY HN . 128 GLY C . 15724 2 119 3JHNCO . 1 1 128 128 ASP HN H 1 . . 1 1 128 128 ASP C C 13 . 0.90 . . 0.35 . . . 129 ASP HN . 129 ASP C . 15724 2 120 3JHNCO . 1 1 130 130 ARG HN H 1 . . 1 1 130 130 ARG C C 13 . 1.20 . . 0.35 . . . 131 ARG HN . 131 ARG C . 15724 2 121 3JHNCO . 1 1 131 131 ALA HN H 1 . . 1 1 131 131 ALA C C 13 . 0.10 . . 0.35 . . . 132 ALA HN . 132 ALA C . 15724 2 122 3JHNCO . 1 1 132 132 ALA HN H 1 . . 1 1 132 132 ALA C C 13 . 0.63 . . 0.35 . . . 133 ALA HN . 133 ALA C . 15724 2 123 3JHNCO . 1 1 133 133 ARG HN H 1 . . 1 1 133 133 ARG C C 13 . 3.61 . . 0.35 . . . 134 ARG HN . 134 ARG C . 15724 2 124 3JHNCO . 1 1 134 134 ASP HN H 1 . . 1 1 134 134 ASP C C 13 . 1.14 . . 0.35 . . . 135 ASP HN . 135 ASP C . 15724 2 125 3JHNCO . 1 1 135 135 ASP HN H 1 . . 1 1 135 135 ASP C C 13 . 0.79 . . 0.35 . . . 136 ASP HN . 136 ASP C . 15724 2 126 3JHNCO . 1 1 136 136 ILE HN H 1 . . 1 1 136 136 ILE C C 13 . 1.05 . . 0.35 . . . 137 ILE HN . 137 ILE C . 15724 2 127 3JHNCO . 1 1 137 137 VAL HN H 1 . . 1 1 137 137 VAL C C 13 . 1.37 . . 0.35 . . . 138 VAL HN . 138 VAL C . 15724 2 128 3JHNCO . 1 1 138 138 GLY HN H 1 . . 1 1 138 138 GLY C C 13 . 1.70 . . 0.35 . . . 139 GLY HN . 139 GLY C . 15724 2 129 3JHNCO . 1 1 139 139 TRP HN H 1 . . 1 1 139 139 TRP C C 13 . 1.68 . . 0.35 . . . 140 TRP HN . 140 TRP C . 15724 2 130 3JHNCO . 1 1 140 140 ALA HN H 1 . . 1 1 140 140 ALA C C 13 . 1.57 . . 0.35 . . . 141 ALA HN . 141 ALA C . 15724 2 131 3JHNCO . 1 1 141 141 HIS HN H 1 . . 1 1 141 141 HIS C C 13 . 1.16 . . 0.35 . . . 142 HIS HN . 142 HIS C . 15724 2 132 3JHNCO . 1 1 142 142 ASP HN H 1 . . 1 1 142 142 ASP C C 13 . 1.22 . . 0.35 . . . 143 ASP HN . 143 ASP C . 15724 2 133 3JHNCO . 1 1 143 143 VAL HN H 1 . . 1 1 143 143 VAL C C 13 . 1.39 . . 0.35 . . . 144 VAL HN . 144 VAL C . 15724 2 134 3JHNCO . 1 1 144 144 ARG HN H 1 . . 1 1 144 144 ARG C C 13 . 1.74 . . 0.35 . . . 145 ARG HN . 145 ARG C . 15724 2 135 3JHNCO . 1 1 145 145 GLY HN H 1 . . 1 1 145 145 GLY C C 13 . 1.10 . . 0.35 . . . 146 GLY HN . 146 GLY C . 15724 2 136 3JHNCO . 1 1 146 146 ALA HN H 1 . . 1 1 146 146 ALA C C 13 . 0.49 . . 0.35 . . . 147 ALA HN . 147 ALA C . 15724 2 137 3JHNCO . 1 1 147 147 ILE HN H 1 . . 1 1 147 147 ILE C C 13 . 0.78 . . 0.35 . . . 148 ILE HN . 148 ILE C . 15724 2 stop_ save_ save_3JHNCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCB _Coupling_constant_list.Entry_ID 15724 _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 . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 4 '3D Cb-coupled (H)CANNH' . . . 15724 3 5 '3D HN-coupled HNCACB' . . . 15724 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 2 2 LYS HN H 1 . . 1 1 2 2 LYS CB C 13 . 0.85 . . 0.35 . . . 3 LYS HN . 3 LYS CB . 15724 3 2 3JHNCB . 1 1 3 3 ALA HN H 1 . . 1 1 3 3 ALA CB C 13 . 0.53 . . 0.35 . . . 4 ALA HN . 4 ALA CB . 15724 3 3 3JHNCB . 1 1 4 4 LEU HN H 1 . . 1 1 4 4 LEU CB C 13 . 1.05 . . 0.35 . . . 5 LEU HN . 5 LEU CB . 15724 3 4 3JHNCB . 1 1 5 5 ILE HN H 1 . . 1 1 5 5 ILE CB C 13 . 0.33 . . 0.35 . . . 6 ILE HN . 6 ILE CB . 15724 3 5 3JHNCB . 1 1 6 6 VAL HN H 1 . . 1 1 6 6 VAL CB C 13 . 0.85 . . 0.35 . . . 7 VAL HN . 7 VAL CB . 15724 3 6 3JHNCB . 1 1 7 7 TYR HN H 1 . . 1 1 7 7 TYR CB C 13 . 0.14 . . 0.35 . . . 8 TYR HN . 8 TYR CB . 15724 3 7 3JHNCB . 1 1 9 9 SER HN H 1 . . 1 1 9 9 SER CB C 13 . 0.18 . . 0.35 . . . 10 SER HN . 10 SER CB . 15724 3 8 3JHNCB . 1 1 10 10 THR HN H 1 . . 1 1 10 10 THR CB C 13 . 1.83 . . 0.35 . . . 11 THR HN . 11 THR CB . 15724 3 9 3JHNCB . 1 1 11 11 THR HN H 1 . . 1 1 11 11 THR CB C 13 . 0.89 . . 0.35 . . . 12 THR HN . 12 THR CB . 15724 3 10 3JHNCB . 1 1 13 13 ASN HN H 1 . . 1 1 13 13 ASN CB C 13 . 2.40 . . 0.35 . . . 14 ASN HN . 14 ASN CB . 15724 3 11 3JHNCB . 1 1 15 15 GLU HN H 1 . . 1 1 15 15 GLU CB C 13 . 2.24 . . 0.35 . . . 16 GLU HN . 16 GLU CB . 15724 3 12 3JHNCB . 1 1 16 16 TYR HN H 1 . . 1 1 16 16 TYR CB C 13 . 2.45 . . 0.35 . . . 17 TYR HN . 17 TYR CB . 15724 3 13 3JHNCB . 1 1 18 18 ALA HN H 1 . . 1 1 18 18 ALA CB C 13 . 2.89 . . 0.35 . . . 19 ALA HN . 19 ALA CB . 15724 3 14 3JHNCB . 1 1 19 19 GLU HN H 1 . . 1 1 19 19 GLU CB C 13 . 2.38 . . 0.35 . . . 20 GLU HN . 20 GLU CB . 15724 3 15 3JHNCB . 1 1 20 20 THR HN H 1 . . 1 1 20 20 THR CB C 13 . 2.58 . . 0.35 . . . 21 THR HN . 21 THR CB . 15724 3 16 3JHNCB . 1 1 21 21 ILE HN H 1 . . 1 1 21 21 ILE CB C 13 . 2.48 . . 0.35 . . . 22 ILE HN . 22 ILE CB . 15724 3 17 3JHNCB . 1 1 22 22 ALA HN H 1 . . 1 1 22 22 ALA CB C 13 . 2.87 . . 0.35 . . . 23 ALA HN . 23 ALA CB . 15724 3 18 3JHNCB . 1 1 23 23 ARG HN H 1 . . 1 1 23 23 ARG CB C 13 . 2.47 . . 0.35 . . . 24 ARG HN . 24 ARG CB . 15724 3 19 3JHNCB . 1 1 24 24 GLU HN H 1 . . 1 1 24 24 GLU CB C 13 . 2.16 . . 0.35 . . . 25 GLU HN . 25 GLU CB . 15724 3 20 3JHNCB . 1 1 25 25 LEU HN H 1 . . 1 1 25 25 LEU CB C 13 . 2.16 . . 0.35 . . . 26 LEU HN . 26 LEU CB . 15724 3 21 3JHNCB . 1 1 26 26 ALA HN H 1 . . 1 1 26 26 ALA CB C 13 . 2.67 . . 0.35 . . . 27 ALA HN . 27 ALA CB . 15724 3 22 3JHNCB . 1 1 27 27 ASP HN H 1 . . 1 1 27 27 ASP CB C 13 . 2.30 . . 0.35 . . . 28 ASP HN . 28 ASP CB . 15724 3 23 3JHNCB . 1 1 28 28 ALA HN H 1 . . 1 1 28 28 ALA CB C 13 . 1.87 . . 0.35 . . . 29 ALA HN . 29 ALA CB . 15724 3 24 3JHNCB . 1 1 30 30 TYR HN H 1 . . 1 1 30 30 TYR CB C 13 . 2.10 . . 0.35 . . . 31 TYR HN . 31 TYR CB . 15724 3 25 3JHNCB . 1 1 31 31 GLU HN H 1 . . 1 1 31 31 GLU CB C 13 . 1.35 . . 0.35 . . . 32 GLU HN . 32 GLU CB . 15724 3 26 3JHNCB . 1 1 32 32 VAL HN H 1 . . 1 1 32 32 VAL CB C 13 . 1.07 . . 0.35 . . . 33 VAL HN . 33 VAL CB . 15724 3 27 3JHNCB . 1 1 33 33 ASP HN H 1 . . 1 1 33 33 ASP CB C 13 . 0.78 . . 0.35 . . . 34 ASP HN . 34 ASP CB . 15724 3 28 3JHNCB . 1 1 34 34 SER HN H 1 . . 1 1 34 34 SER CB C 13 . 0.81 . . 0.35 . . . 35 SER HN . 35 SER CB . 15724 3 29 3JHNCB . 1 1 35 35 ARG HN H 1 . . 1 1 35 35 ARG CB C 13 . 0.28 . . 0.35 . . . 36 ARG HN . 36 ARG CB . 15724 3 30 3JHNCB . 1 1 36 36 ASP HN H 1 . . 1 1 36 36 ASP CB C 13 . 2.46 . . 0.35 . . . 37 ASP HN . 37 ASP CB . 15724 3 31 3JHNCB . 1 1 37 37 ALA HN H 1 . . 1 1 37 37 ALA CB C 13 . 2.78 . . 0.35 . . . 38 ALA HN . 38 ALA CB . 15724 3 32 3JHNCB . 1 1 38 38 ALA HN H 1 . . 1 1 38 38 ALA CB C 13 . 2.71 . . 0.35 . . . 39 ALA HN . 39 ALA CB . 15724 3 33 3JHNCB . 1 1 39 39 SER HN H 1 . . 1 1 39 39 SER CB C 13 . 1.51 . . 0.35 . . . 40 SER HN . 40 SER CB . 15724 3 34 3JHNCB . 1 1 40 40 VAL HN H 1 . . 1 1 40 40 VAL CB C 13 . 1.32 . . 0.35 . . . 41 VAL HN . 41 VAL CB . 15724 3 35 3JHNCB . 1 1 41 41 GLU HN H 1 . . 1 1 41 41 GLU CB C 13 . 0.85 . . 0.35 . . . 42 GLU HN . 42 GLU CB . 15724 3 36 3JHNCB . 1 1 42 42 ALA HN H 1 . . 1 1 42 42 ALA CB C 13 . 2.64 . . 0.35 . . . 43 ALA HN . 43 ALA CB . 15724 3 37 3JHNCB . 1 1 45 45 LEU HN H 1 . . 1 1 45 45 LEU CB C 13 . 2.35 . . 0.35 . . . 46 LEU HN . 46 LEU CB . 15724 3 38 3JHNCB . 1 1 46 46 PHE HN H 1 . . 1 1 46 46 PHE CB C 13 . 1.49 . . 0.35 . . . 47 PHE HN . 47 PHE CB . 15724 3 39 3JHNCB . 1 1 47 47 GLU HN H 1 . . 1 1 47 47 GLU CB C 13 . 2.36 . . 0.35 . . . 48 GLU HN . 48 GLU CB . 15724 3 40 3JHNCB . 1 1 49 49 PHE HN H 1 . . 1 1 49 49 PHE CB C 13 . 1.30 . . 0.35 . . . 50 PHE HN . 50 PHE CB . 15724 3 41 3JHNCB . 1 1 50 50 ASP HN H 1 . . 1 1 50 50 ASP CB C 13 . 1.61 . . 0.35 . . . 51 ASP HN . 51 ASP CB . 15724 3 42 3JHNCB . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU CB C 13 . -0.28 . . 0.35 . . . 52 LEU HN . 52 LEU CB . 15724 3 43 3JHNCB . 1 1 52 52 VAL HN H 1 . . 1 1 52 52 VAL CB C 13 . 0.77 . . 0.35 . . . 53 VAL HN . 53 VAL CB . 15724 3 44 3JHNCB . 1 1 53 53 LEU HN H 1 . . 1 1 53 53 LEU CB C 13 . 0.93 . . 0.35 . . . 54 LEU HN . 54 LEU CB . 15724 3 45 3JHNCB . 1 1 54 54 LEU HN H 1 . . 1 1 54 54 LEU CB C 13 . 0.60 . . 0.35 . . . 55 LEU HN . 55 LEU CB . 15724 3 46 3JHNCB . 1 1 56 56 CYS HN H 1 . . 1 1 56 56 CYS CB C 13 . 0.04 . . 0.35 . . . 57 CYS HN . 57 CYS CB . 15724 3 47 3JHNCB . 1 1 57 57 SER HN H 1 . . 1 1 57 57 SER CB C 13 . 2.35 . . 0.35 . . . 58 SER HN . 58 SER CB . 15724 3 48 3JHNCB . 1 1 59 59 TRP HN H 1 . . 1 1 59 59 TRP CB C 13 . 0.31 . . 0.35 . . . 60 TRP HN . 60 TRP CB . 15724 3 49 3JHNCB . 1 1 61 61 ASP HN H 1 . . 1 1 61 61 ASP CB C 13 . 2.07 . . 0.35 . . . 62 ASP HN . 62 ASP CB . 15724 3 50 3JHNCB . 1 1 63 63 SER HN H 1 . . 1 1 63 63 SER CB C 13 . 0.15 . . 0.35 . . . 64 SER HN . 64 SER CB . 15724 3 51 3JHNCB . 1 1 64 64 ILE HN H 1 . . 1 1 64 64 ILE CB C 13 . 1.96 . . 0.35 . . . 65 ILE HN . 65 ILE CB . 15724 3 52 3JHNCB . 1 1 65 65 GLU HN H 1 . . 1 1 65 65 GLU CB C 13 . 0.17 . . 0.35 . . . 66 GLU HN . 66 GLU CB . 15724 3 53 3JHNCB . 1 1 66 66 LEU HN H 1 . . 1 1 66 66 LEU CB C 13 . 2.02 . . 0.35 . . . 67 LEU HN . 67 LEU CB . 15724 3 54 3JHNCB . 1 1 67 67 GLN HN H 1 . . 1 1 67 67 GLN CB C 13 . 2.75 . . 0.35 . . . 68 GLN HN . 68 GLN CB . 15724 3 55 3JHNCB . 1 1 68 68 ASP HN H 1 . . 1 1 68 68 ASP CB C 13 . 2.28 . . 0.35 . . . 69 ASP HN . 69 ASP CB . 15724 3 56 3JHNCB . 1 1 69 69 ASP HN H 1 . . 1 1 69 69 ASP CB C 13 . 2.08 . . 0.35 . . . 70 ASP HN . 70 ASP CB . 15724 3 57 3JHNCB . 1 1 70 70 PHE HN H 1 . . 1 1 70 70 PHE CB C 13 . 1.99 . . 0.35 . . . 71 PHE HN . 71 PHE CB . 15724 3 58 3JHNCB . 1 1 71 71 ILE HN H 1 . . 1 1 71 71 ILE CB C 13 . 2.46 . . 0.35 . . . 72 ILE HN . 72 ILE CB . 15724 3 59 3JHNCB . 1 1 73 73 LEU HN H 1 . . 1 1 73 73 LEU CB C 13 . 2.31 . . 0.35 . . . 74 LEU HN . 74 LEU CB . 15724 3 60 3JHNCB . 1 1 74 74 PHE HN H 1 . . 1 1 74 74 PHE CB C 13 . 2.85 . . 0.35 . . . 75 PHE HN . 75 PHE CB . 15724 3 61 3JHNCB . 1 1 75 75 ASP HN H 1 . . 1 1 75 75 ASP CB C 13 . 2.48 . . 0.35 . . . 76 ASP HN . 76 ASP CB . 15724 3 62 3JHNCB . 1 1 76 76 SER HN H 1 . . 1 1 76 76 SER CB C 13 . 1.44 . . 0.35 . . . 77 SER HN . 77 SER CB . 15724 3 63 3JHNCB . 1 1 77 77 LEU HN H 1 . . 1 1 77 77 LEU CB C 13 . 2.15 . . 0.35 . . . 78 LEU HN . 78 LEU CB . 15724 3 64 3JHNCB . 1 1 78 78 GLU HN H 1 . . 1 1 78 78 GLU CB C 13 . 2.47 . . 0.35 . . . 79 GLU HN . 79 GLU CB . 15724 3 65 3JHNCB . 1 1 79 79 GLU HN H 1 . . 1 1 79 79 GLU CB C 13 . 1.55 . . 0.35 . . . 80 GLU HN . 80 GLU CB . 15724 3 66 3JHNCB . 1 1 80 80 THR HN H 1 . . 1 1 80 80 THR CB C 13 . 2.37 . . 0.35 . . . 81 THR HN . 81 THR CB . 15724 3 67 3JHNCB . 1 1 82 82 ALA HN H 1 . . 1 1 82 82 ALA CB C 13 . 2.70 . . 0.35 . . . 83 ALA HN . 83 ALA CB . 15724 3 68 3JHNCB . 1 1 83 83 GLN HN H 1 . . 1 1 83 83 GLN CB C 13 . 2.36 . . 0.35 . . . 84 GLN HN . 84 GLN CB . 15724 3 69 3JHNCB . 1 1 85 85 ARG HN H 1 . . 1 1 85 85 ARG CB C 13 . 2.07 . . 0.35 . . . 86 ARG HN . 86 ARG CB . 15724 3 70 3JHNCB . 1 1 86 86 LYS HN H 1 . . 1 1 86 86 LYS CB C 13 . 2.03 . . 0.35 . . . 87 LYS HN . 87 LYS CB . 15724 3 71 3JHNCB . 1 1 87 87 VAL HN H 1 . . 1 1 87 87 VAL CB C 13 . 0.40 . . 0.35 . . . 88 VAL HN . 88 VAL CB . 15724 3 72 3JHNCB . 1 1 88 88 ALA HN H 1 . . 1 1 88 88 ALA CB C 13 . 0.06 . . 0.35 . . . 89 ALA HN . 89 ALA CB . 15724 3 73 3JHNCB . 1 1 89 89 CYS HN H 1 . . 1 1 89 89 CYS CB C 13 . 0.88 . . 0.35 . . . 90 CYS HN . 90 CYS CB . 15724 3 74 3JHNCB . 1 1 90 90 PHE HN H 1 . . 1 1 90 90 PHE CB C 13 . 0.11 . . 0.35 . . . 91 PHE HN . 91 PHE CB . 15724 3 75 3JHNCB . 1 1 92 92 CYS HN H 1 . . 1 1 92 92 CYS CB C 13 . 1.55 . . 0.35 . . . 93 CYS HN . 93 CYS CB . 15724 3 76 3JHNCB . 1 1 94 94 ASP HN H 1 . . 1 1 94 94 ASP CB C 13 . 0.17 . . 0.35 . . . 95 ASP HN . 95 ASP CB . 15724 3 77 3JHNCB . 1 1 95 95 SER HN H 1 . . 1 1 95 95 SER CB C 13 . 2.86 . . 0.35 . . . 96 SER HN . 96 SER CB . 15724 3 78 3JHNCB . 1 1 96 96 SER HN H 1 . . 1 1 96 96 SER CB C 13 . 2.10 . . 0.35 . . . 97 SER HN . 97 SER CB . 15724 3 79 3JHNCB . 1 1 97 97 TYR HN H 1 . . 1 1 97 97 TYR CB C 13 . 2.16 . . 0.35 . . . 98 TYR HN . 98 TYR CB . 15724 3 80 3JHNCB . 1 1 98 98 GLU HN H 1 . . 1 1 98 98 GLU CB C 13 . 2.39 . . 0.35 . . . 99 GLU HN . 99 GLU CB . 15724 3 81 3JHNCB . 1 1 99 99 TYR HN H 1 . . 1 1 99 99 TYR CB C 13 . 1.45 . . 0.35 . . . 100 TYR HN . 100 TYR CB . 15724 3 82 3JHNCB . 1 1 100 100 PHE HN H 1 . . 1 1 100 100 PHE CB C 13 . 3.01 . . 0.35 . . . 101 PHE HN . 101 PHE CB . 15724 3 83 3JHNCB . 1 1 101 101 CYS HN H 1 . . 1 1 101 101 CYS CB C 13 . 0.71 . . 0.35 . . . 102 CYS HN . 102 CYS CB . 15724 3 84 3JHNCB . 1 1 103 103 ALA HN H 1 . . 1 1 103 103 ALA CB C 13 . 2.43 . . 0.35 . . . 104 ALA HN . 104 ALA CB . 15724 3 85 3JHNCB . 1 1 104 104 VAL HN H 1 . . 1 1 104 104 VAL CB C 13 . 2.19 . . 0.35 . . . 105 VAL HN . 105 VAL CB . 15724 3 86 3JHNCB . 1 1 105 105 ASP HN H 1 . . 1 1 105 105 ASP CB C 13 . 2.15 . . 0.35 . . . 106 ASP HN . 106 ASP CB . 15724 3 87 3JHNCB . 1 1 106 106 ALA HN H 1 . . 1 1 106 106 ALA CB C 13 . 2.83 . . 0.35 . . . 107 ALA HN . 107 ALA CB . 15724 3 88 3JHNCB . 1 1 107 107 ILE HN H 1 . . 1 1 107 107 ILE CB C 13 . 2.61 . . 0.35 . . . 108 ILE HN . 108 ILE CB . 15724 3 89 3JHNCB . 1 1 108 108 GLU HN H 1 . . 1 1 108 108 GLU CB C 13 . 2.46 . . 0.35 . . . 109 GLU HN . 109 GLU CB . 15724 3 90 3JHNCB . 1 1 109 109 GLU HN H 1 . . 1 1 109 109 GLU CB C 13 . 2.39 . . 0.35 . . . 110 GLU HN . 110 GLU CB . 15724 3 91 3JHNCB . 1 1 110 110 LYS HN H 1 . . 1 1 110 110 LYS CB C 13 . 2.23 . . 0.35 . . . 111 LYS HN . 111 LYS CB . 15724 3 92 3JHNCB . 1 1 111 111 LEU HN H 1 . . 1 1 111 111 LEU CB C 13 . 2.46 . . 0.35 . . . 112 LEU HN . 112 LEU CB . 15724 3 93 3JHNCB . 1 1 112 112 LYS HN H 1 . . 1 1 112 112 LYS CB C 13 . 2.28 . . 0.35 . . . 113 LYS HN . 113 LYS CB . 15724 3 94 3JHNCB . 1 1 113 113 ASN HN H 1 . . 1 1 113 113 ASN CB C 13 . 2.18 . . 0.35 . . . 114 ASN HN . 114 ASN CB . 15724 3 95 3JHNCB . 1 1 114 114 LEU HN H 1 . . 1 1 114 114 LEU CB C 13 . 1.70 . . 0.35 . . . 115 LEU HN . 115 LEU CB . 15724 3 96 3JHNCB . 1 1 116 116 ALA HN H 1 . . 1 1 116 116 ALA CB C 13 . 2.30 . . 0.35 . . . 117 ALA HN . 117 ALA CB . 15724 3 97 3JHNCB . 1 1 117 117 GLU HN H 1 . . 1 1 117 117 GLU CB C 13 . 0.96 . . 0.35 . . . 118 GLU HN . 118 GLU CB . 15724 3 98 3JHNCB . 1 1 118 118 ILE HN H 1 . . 1 1 118 118 ILE CB C 13 . 1.42 . . 0.35 . . . 119 ILE HN . 119 ILE CB . 15724 3 99 3JHNCB . 1 1 119 119 VAL HN H 1 . . 1 1 119 119 VAL CB C 13 . 2.20 . . 0.35 . . . 120 VAL HN . 120 VAL CB . 15724 3 100 3JHNCB . 1 1 120 120 GLN HN H 1 . . 1 1 120 120 GLN CB C 13 . 0.27 . . 0.35 . . . 121 GLN HN . 121 GLN CB . 15724 3 101 3JHNCB . 1 1 121 121 ASP HN H 1 . . 1 1 121 121 ASP CB C 13 . 2.30 . . 0.35 . . . 122 ASP HN . 122 ASP CB . 15724 3 102 3JHNCB . 1 1 123 123 LEU HN H 1 . . 1 1 123 123 LEU CB C 13 . 1.87 . . 0.35 . . . 124 LEU HN . 124 LEU CB . 15724 3 103 3JHNCB . 1 1 124 124 ARG HN H 1 . . 1 1 124 124 ARG CB C 13 . 1.35 . . 0.35 . . . 125 ARG HN . 125 ARG CB . 15724 3 104 3JHNCB . 1 1 125 125 ILE HN H 1 . . 1 1 125 125 ILE CB C 13 . 1.11 . . 0.35 . . . 126 ILE HN . 126 ILE CB . 15724 3 105 3JHNCB . 1 1 126 126 ASP HN H 1 . . 1 1 126 126 ASP CB C 13 . 0.97 . . 0.35 . . . 127 ASP HN . 127 ASP CB . 15724 3 106 3JHNCB . 1 1 128 128 ASP HN H 1 . . 1 1 128 128 ASP CB C 13 . 2.43 . . 0.35 . . . 129 ASP HN . 129 ASP CB . 15724 3 107 3JHNCB . 1 1 130 130 ARG HN H 1 . . 1 1 130 130 ARG CB C 13 . 1.79 . . 0.35 . . . 131 ARG HN . 131 ARG CB . 15724 3 108 3JHNCB . 1 1 131 131 ALA HN H 1 . . 1 1 131 131 ALA CB C 13 . 2.12 . . 0.35 . . . 132 ALA HN . 132 ALA CB . 15724 3 109 3JHNCB . 1 1 132 132 ALA HN H 1 . . 1 1 132 132 ALA CB C 13 . 1.02 . . 0.35 . . . 133 ALA HN . 133 ALA CB . 15724 3 110 3JHNCB . 1 1 133 133 ARG HN H 1 . . 1 1 133 133 ARG CB C 13 . 2.21 . . 0.35 . . . 134 ARG HN . 134 ARG CB . 15724 3 111 3JHNCB . 1 1 134 134 ASP HN H 1 . . 1 1 134 134 ASP CB C 13 . 2.21 . . 0.35 . . . 135 ASP HN . 135 ASP CB . 15724 3 112 3JHNCB . 1 1 135 135 ASP HN H 1 . . 1 1 135 135 ASP CB C 13 . 2.13 . . 0.35 . . . 136 ASP HN . 136 ASP CB . 15724 3 113 3JHNCB . 1 1 136 136 ILE HN H 1 . . 1 1 136 136 ILE CB C 13 . 2.37 . . 0.35 . . . 137 ILE HN . 137 ILE CB . 15724 3 114 3JHNCB . 1 1 137 137 VAL HN H 1 . . 1 1 137 137 VAL CB C 13 . 2.31 . . 0.35 . . . 138 VAL HN . 138 VAL CB . 15724 3 115 3JHNCB . 1 1 139 139 TRP HN H 1 . . 1 1 139 139 TRP CB C 13 . 2.82 . . 0.35 . . . 140 TRP HN . 140 TRP CB . 15724 3 116 3JHNCB . 1 1 140 140 ALA HN H 1 . . 1 1 140 140 ALA CB C 13 . 2.72 . . 0.35 . . . 141 ALA HN . 141 ALA CB . 15724 3 117 3JHNCB . 1 1 141 141 HIS HN H 1 . . 1 1 141 141 HIS CB C 13 . 2.52 . . 0.35 . . . 142 HIS HN . 142 HIS CB . 15724 3 118 3JHNCB . 1 1 142 142 ASP HN H 1 . . 1 1 142 142 ASP CB C 13 . 2.28 . . 0.35 . . . 143 ASP HN . 143 ASP CB . 15724 3 119 3JHNCB . 1 1 143 143 VAL HN H 1 . . 1 1 143 143 VAL CB C 13 . 2.31 . . 0.35 . . . 144 VAL HN . 144 VAL CB . 15724 3 120 3JHNCB . 1 1 144 144 ARG HN H 1 . . 1 1 144 144 ARG CB C 13 . 2.36 . . 0.35 . . . 145 ARG HN . 145 ARG CB . 15724 3 121 3JHNCB . 1 1 146 146 ALA HN H 1 . . 1 1 146 146 ALA CB C 13 . 2.14 . . 0.35 . . . 147 ALA HN . 147 ALA CB . 15724 3 122 3JHNCB . 1 1 147 147 ILE HN H 1 . . 1 1 147 147 ILE CB C 13 . 1.20 . . 0.35 . . . 148 ILE HN . 148 ILE CB . 15724 3 stop_ save_ save_3JCOHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOHA _Coupling_constant_list.Entry_ID 15724 _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 . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 6 '3D Ha-coupled H(N)CA,CO-E.COSY' . . . 15724 4 7 '3D CO-coupled (H)NCAHA' . . . 15724 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 1 1 PRO C C 13 . . 1 1 2 2 LYS HA H 1 . 3.10 . . 0.35 . . . 2 PRO C . 3 LYS HA . 15724 4 2 3JCOHA . 1 1 2 2 LYS C C 13 . . 1 1 3 3 ALA HA H 1 . 2.81 . . 0.35 . . . 3 LYS C . 4 ALA HA . 15724 4 3 3JCOHA . 1 1 3 3 ALA C C 13 . . 1 1 4 4 LEU HA H 1 . 2.56 . . 0.35 . . . 4 ALA C . 5 LEU HA . 15724 4 4 3JCOHA . 1 1 4 4 LEU C C 13 . . 1 1 5 5 ILE HA H 1 . 3.38 . . 0.35 . . . 5 LEU C . 6 ILE HA . 15724 4 5 3JCOHA . 1 1 5 5 ILE C C 13 . . 1 1 6 6 VAL HA H 1 . 2.89 . . 0.35 . . . 6 ILE C . 7 VAL HA . 15724 4 6 3JCOHA . 1 1 6 6 VAL C C 13 . . 1 1 7 7 TYR HA H 1 . 3.44 . . 0.35 . . . 7 VAL C . 8 TYR HA . 15724 4 7 3JCOHA . 1 1 8 8 GLY C C 13 . . 1 1 9 9 SER HA H 1 . 2.83 . . 0.35 . . . 9 GLY C . 10 SER HA . 15724 4 8 3JCOHA . 1 1 9 9 SER C C 13 . . 1 1 10 10 THR HA H 1 . 2.79 . . 0.35 . . . 10 SER C . 11 THR HA . 15724 4 9 3JCOHA . 1 1 10 10 THR C C 13 . . 1 1 11 11 THR HA H 1 . 3.00 . . 0.35 . . . 11 THR C . 12 THR HA . 15724 4 10 3JCOHA . 1 1 12 12 GLY C C 13 . . 1 1 13 13 ASN HA H 1 . 1.90 . . 0.35 . . . 13 GLY C . 14 ASN HA . 15724 4 11 3JCOHA . 1 1 13 13 ASN C C 13 . . 1 1 14 14 THR HA H 1 . 1.71 . . 0.35 . . . 14 ASN C . 15 THR HA . 15724 4 12 3JCOHA . 1 1 14 14 THR C C 13 . . 1 1 15 15 GLU HA H 1 . 0.76 . . 0.35 . . . 15 THR C . 16 GLU HA . 15724 4 13 3JCOHA . 1 1 15 15 GLU C C 13 . . 1 1 16 16 TYR HA H 1 . 0.90 . . 0.35 . . . 16 GLU C . 17 TYR HA . 15724 4 14 3JCOHA . 1 1 16 16 TYR C C 13 . . 1 1 17 17 THR HA H 1 . 0.86 . . 0.35 . . . 17 TYR C . 18 THR HA . 15724 4 15 3JCOHA . 1 1 17 17 THR C C 13 . . 1 1 18 18 ALA HA H 1 . 0.68 . . 0.35 . . . 18 THR C . 19 ALA HA . 15724 4 16 3JCOHA . 1 1 18 18 ALA C C 13 . . 1 1 19 19 GLU HA H 1 . 1.30 . . 0.35 . . . 19 ALA C . 20 GLU HA . 15724 4 17 3JCOHA . 1 1 19 19 GLU C C 13 . . 1 1 20 20 THR HA H 1 . 1.45 . . 0.35 . . . 20 GLU C . 21 THR HA . 15724 4 18 3JCOHA . 1 1 20 20 THR C C 13 . . 1 1 21 21 ILE HA H 1 . 0.24 . . 0.35 . . . 21 THR C . 22 ILE HA . 15724 4 19 3JCOHA . 1 1 21 21 ILE C C 13 . . 1 1 22 22 ALA HA H 1 . 1.53 . . 0.35 . . . 22 ILE C . 23 ALA HA . 15724 4 20 3JCOHA . 1 1 22 22 ALA C C 13 . . 1 1 23 23 ARG HA H 1 . 1.40 . . 0.35 . . . 23 ALA C . 24 ARG HA . 15724 4 21 3JCOHA . 1 1 23 23 ARG C C 13 . . 1 1 24 24 GLU HA H 1 . 1.50 . . 0.35 . . . 24 ARG C . 25 GLU HA . 15724 4 22 3JCOHA . 1 1 24 24 GLU C C 13 . . 1 1 25 25 LEU HA H 1 . 2.00 . . 0.35 . . . 25 GLU C . 26 LEU HA . 15724 4 23 3JCOHA . 1 1 25 25 LEU C C 13 . . 1 1 26 26 ALA HA H 1 . 1.76 . . 0.35 . . . 26 LEU C . 27 ALA HA . 15724 4 24 3JCOHA . 1 1 26 26 ALA C C 13 . . 1 1 27 27 ASP HA H 1 . 1.83 . . 0.35 . . . 27 ALA C . 28 ASP HA . 15724 4 25 3JCOHA . 1 1 27 27 ASP C C 13 . . 1 1 28 28 ALA HA H 1 . 2.48 . . 0.35 . . . 28 ASP C . 29 ALA HA . 15724 4 26 3JCOHA . 1 1 28 28 ALA C C 13 . . 1 1 29 29 GLY HA2 H 1 . 4.36 . . 0.35 . . . 29 ALA C . 30 GLY HA2 . 15724 4 27 3JCOHA . 1 1 28 28 ALA C C 13 . . 1 1 29 29 GLY HA3 H 1 . 2.42 . . 0.35 . . . 29 ALA C . 30 GLY HA3 . 15724 4 28 3JCOHA . 1 1 29 29 GLY C C 13 . . 1 1 30 30 TYR HA H 1 . 1.31 . . 0.35 . . . 30 GLY C . 31 TYR HA . 15724 4 29 3JCOHA . 1 1 30 30 TYR C C 13 . . 1 1 31 31 GLU HA H 1 . 2.55 . . 0.35 . . . 31 TYR C . 32 GLU HA . 15724 4 30 3JCOHA . 1 1 31 31 GLU C C 13 . . 1 1 32 32 VAL HA H 1 . 2.87 . . 0.35 . . . 32 GLU C . 33 VAL HA . 15724 4 31 3JCOHA . 1 1 32 32 VAL C C 13 . . 1 1 33 33 ASP HA H 1 . 2.82 . . 0.35 . . . 33 VAL C . 34 ASP HA . 15724 4 32 3JCOHA . 1 1 33 33 ASP C C 13 . . 1 1 34 34 SER HA H 1 . 2.87 . . 0.35 . . . 34 ASP C . 35 SER HA . 15724 4 33 3JCOHA . 1 1 34 34 SER C C 13 . . 1 1 35 35 ARG HA H 1 . 3.28 . . 0.35 . . . 35 SER C . 36 ARG HA . 15724 4 34 3JCOHA . 1 1 35 35 ARG C C 13 . . 1 1 36 36 ASP HA H 1 . 1.66 . . 0.35 . . . 36 ARG C . 37 ASP HA . 15724 4 35 3JCOHA . 1 1 36 36 ASP C C 13 . . 1 1 37 37 ALA HA H 1 . 1.12 . . 0.35 . . . 37 ASP C . 38 ALA HA . 15724 4 36 3JCOHA . 1 1 37 37 ALA C C 13 . . 1 1 38 38 ALA HA H 1 . 0.61 . . 0.35 . . . 38 ALA C . 39 ALA HA . 15724 4 37 3JCOHA . 1 1 38 38 ALA C C 13 . . 1 1 39 39 SER HA H 1 . 2.83 . . 0.35 . . . 39 ALA C . 40 SER HA . 15724 4 38 3JCOHA . 1 1 39 39 SER C C 13 . . 1 1 40 40 VAL HA H 1 . 2.82 . . 0.35 . . . 40 SER C . 41 VAL HA . 15724 4 39 3JCOHA . 1 1 40 40 VAL C C 13 . . 1 1 41 41 GLU HA H 1 . 2.59 . . 0.35 . . . 41 VAL C . 42 GLU HA . 15724 4 40 3JCOHA . 1 1 41 41 GLU C C 13 . . 1 1 42 42 ALA HA H 1 . 1.73 . . 0.35 . . . 42 GLU C . 43 ALA HA . 15724 4 41 3JCOHA . 1 1 42 42 ALA C C 13 . . 1 1 43 43 GLY HA2 H 1 . 0.28 . . 0.35 . . . 43 ALA C . 44 GLY HA2 . 15724 4 42 3JCOHA . 1 1 42 42 ALA C C 13 . . 1 1 43 43 GLY HA3 H 1 . 6.27 . . 0.35 . . . 43 ALA C . 44 GLY HA3 . 15724 4 43 3JCOHA . 1 1 44 44 GLY C C 13 . . 1 1 45 45 LEU HA H 1 . 1.29 . . 0.35 . . . 45 GLY C . 46 LEU HA . 15724 4 44 3JCOHA . 1 1 45 45 LEU C C 13 . . 1 1 46 46 PHE HA H 1 . 2.16 . . 0.35 . . . 46 LEU C . 47 PHE HA . 15724 4 45 3JCOHA . 1 1 46 46 PHE C C 13 . . 1 1 47 47 GLU HA H 1 . 1.40 . . 0.35 . . . 47 PHE C . 48 GLU HA . 15724 4 46 3JCOHA . 1 1 48 48 GLY C C 13 . . 1 1 49 49 PHE HA H 1 . 2.62 . . 0.35 . . . 49 GLY C . 50 PHE HA . 15724 4 47 3JCOHA . 1 1 49 49 PHE C C 13 . . 1 1 50 50 ASP HA H 1 . 2.23 . . 0.35 . . . 50 PHE C . 51 ASP HA . 15724 4 48 3JCOHA . 1 1 50 50 ASP C C 13 . . 1 1 51 51 LEU HA H 1 . 2.13 . . 0.35 . . . 51 ASP C . 52 LEU HA . 15724 4 49 3JCOHA . 1 1 51 51 LEU C C 13 . . 1 1 52 52 VAL HA H 1 . 3.66 . . 0.35 . . . 52 LEU C . 53 VAL HA . 15724 4 50 3JCOHA . 1 1 52 52 VAL C C 13 . . 1 1 53 53 LEU HA H 1 . 3.20 . . 0.35 . . . 53 VAL C . 54 LEU HA . 15724 4 51 3JCOHA . 1 1 53 53 LEU C C 13 . . 1 1 54 54 LEU HA H 1 . 2.67 . . 0.35 . . . 54 LEU C . 55 LEU HA . 15724 4 52 3JCOHA . 1 1 55 55 GLY C C 13 . . 1 1 56 56 CYS HA H 1 . 1.93 . . 0.35 . . . 56 GLY C . 57 CYS HA . 15724 4 53 3JCOHA . 1 1 56 56 CYS C C 13 . . 1 1 57 57 SER HA H 1 . 2.31 . . 0.35 . . . 57 CYS C . 58 SER HA . 15724 4 54 3JCOHA . 1 1 57 57 SER C C 13 . . 1 1 58 58 THR HA H 1 . 2.08 . . 0.35 . . . 58 SER C . 59 THR HA . 15724 4 55 3JCOHA . 1 1 58 58 THR C C 13 . . 1 1 59 59 TRP HA H 1 . 3.58 . . 0.35 . . . 59 THR C . 60 TRP HA . 15724 4 56 3JCOHA . 1 1 60 60 GLY C C 13 . . 1 1 61 61 ASP HA H 1 . 5.11 . . 0.35 . . . 61 GLY C . 62 ASP HA . 15724 4 57 3JCOHA . 1 1 62 62 ASP C C 13 . . 1 1 63 63 SER HA H 1 . 2.49 . . 0.35 . . . 63 ASP C . 64 SER HA . 15724 4 58 3JCOHA . 1 1 63 63 SER C C 13 . . 1 1 64 64 ILE HA H 1 . 2.54 . . 0.35 . . . 64 SER C . 65 ILE HA . 15724 4 59 3JCOHA . 1 1 64 64 ILE C C 13 . . 1 1 65 65 GLU HA H 1 . 3.28 . . 0.35 . . . 65 ILE C . 66 GLU HA . 15724 4 60 3JCOHA . 1 1 65 65 GLU C C 13 . . 1 1 66 66 LEU HA H 1 . 0.98 . . 0.35 . . . 66 GLU C . 67 LEU HA . 15724 4 61 3JCOHA . 1 1 66 66 LEU C C 13 . . 1 1 67 67 GLN HA H 1 . 0.87 . . 0.35 . . . 67 LEU C . 68 GLN HA . 15724 4 62 3JCOHA . 1 1 67 67 GLN C C 13 . . 1 1 68 68 ASP HA H 1 . 0.93 . . 0.35 . . . 68 GLN C . 69 ASP HA . 15724 4 63 3JCOHA . 1 1 68 68 ASP C C 13 . . 1 1 69 69 ASP HA H 1 . 1.55 . . 0.35 . . . 69 ASP C . 70 ASP HA . 15724 4 64 3JCOHA . 1 1 69 69 ASP C C 13 . . 1 1 70 70 PHE HA H 1 . 2.62 . . 0.35 . . . 70 ASP C . 71 PHE HA . 15724 4 65 3JCOHA . 1 1 70 70 PHE C C 13 . . 1 1 71 71 ILE HA H 1 . 0.69 . . 0.35 . . . 71 PHE C . 72 ILE HA . 15724 4 66 3JCOHA . 1 1 72 72 PRO C C 13 . . 1 1 73 73 LEU HA H 1 . 0.99 . . 0.35 . . . 73 PRO C . 74 LEU HA . 15724 4 67 3JCOHA . 1 1 73 73 LEU C C 13 . . 1 1 74 74 PHE HA H 1 . 0.48 . . 0.35 . . . 74 LEU C . 75 PHE HA . 15724 4 68 3JCOHA . 1 1 74 74 PHE C C 13 . . 1 1 75 75 ASP HA H 1 . 1.38 . . 0.35 . . . 75 PHE C . 76 ASP HA . 15724 4 69 3JCOHA . 1 1 76 76 SER C C 13 . . 1 1 77 77 LEU HA H 1 . 1.54 . . 0.35 . . . 77 SER C . 78 LEU HA . 15724 4 70 3JCOHA . 1 1 77 77 LEU C C 13 . . 1 1 78 78 GLU HA H 1 . 1.24 . . 0.35 . . . 78 LEU C . 79 GLU HA . 15724 4 71 3JCOHA . 1 1 78 78 GLU C C 13 . . 1 1 79 79 GLU HA H 1 . 2.61 . . 0.35 . . . 79 GLU C . 80 GLU HA . 15724 4 72 3JCOHA . 1 1 79 79 GLU C C 13 . . 1 1 80 80 THR HA H 1 . 2.38 . . 0.35 . . . 80 GLU C . 81 THR HA . 15724 4 73 3JCOHA . 1 1 80 80 THR C C 13 . . 1 1 81 81 GLY HA2 H 1 . 5.22 . . 0.35 . . . 81 THR C . 82 GLY HA2 . 15724 4 74 3JCOHA . 1 1 80 80 THR C C 13 . . 1 1 81 81 GLY HA3 H 1 . 1.41 . . 0.35 . . . 81 THR C . 82 GLY HA3 . 15724 4 75 3JCOHA . 1 1 81 81 GLY C C 13 . . 1 1 82 82 ALA HA H 1 . 2.51 . . 0.35 . . . 82 GLY C . 83 ALA HA . 15724 4 76 3JCOHA . 1 1 82 82 ALA C C 13 . . 1 1 83 83 GLN HA H 1 . 1.00 . . 0.35 . . . 83 ALA C . 84 GLN HA . 15724 4 77 3JCOHA . 1 1 83 83 GLN C C 13 . . 1 1 84 84 GLY HA2 H 1 . 7.37 . . 0.35 . . . 84 GLN C . 85 GLY HA2 . 15724 4 78 3JCOHA . 1 1 83 83 GLN C C 13 . . 1 1 84 84 GLY HA3 H 1 . 1.47 . . 0.35 . . . 84 GLN C . 85 GLY HA3 . 15724 4 79 3JCOHA . 1 1 84 84 GLY C C 13 . . 1 1 85 85 ARG HA H 1 . 2.20 . . 0.35 . . . 85 GLY C . 86 ARG HA . 15724 4 80 3JCOHA . 1 1 85 85 ARG C C 13 . . 1 1 86 86 LYS HA H 1 . 2.21 . . 0.35 . . . 86 ARG C . 87 LYS HA . 15724 4 81 3JCOHA . 1 1 86 86 LYS C C 13 . . 1 1 87 87 VAL HA H 1 . 2.96 . . 0.35 . . . 87 LYS C . 88 VAL HA . 15724 4 82 3JCOHA . 1 1 87 87 VAL C C 13 . . 1 1 88 88 ALA HA H 1 . 2.36 . . 0.35 . . . 88 VAL C . 89 ALA HA . 15724 4 83 3JCOHA . 1 1 88 88 ALA C C 13 . . 1 1 89 89 CYS HA H 1 . 3.30 . . 0.35 . . . 89 ALA C . 90 CYS HA . 15724 4 84 3JCOHA . 1 1 89 89 CYS C C 13 . . 1 1 90 90 PHE HA H 1 . 2.50 . . 0.35 . . . 90 CYS C . 91 PHE HA . 15724 4 85 3JCOHA . 1 1 91 91 GLY C C 13 . . 1 1 92 92 CYS HA H 1 . 3.32 . . 0.35 . . . 92 GLY C . 93 CYS HA . 15724 4 86 3JCOHA . 1 1 93 93 GLY C C 13 . . 1 1 94 94 ASP HA H 1 . 2.63 . . 0.35 . . . 94 GLY C . 95 ASP HA . 15724 4 87 3JCOHA . 1 1 94 94 ASP C C 13 . . 1 1 95 95 SER HA H 1 . 2.31 . . 0.35 . . . 95 ASP C . 96 SER HA . 15724 4 88 3JCOHA . 1 1 96 96 SER C C 13 . . 1 1 97 97 TYR HA H 1 . 2.01 . . 0.35 . . . 97 SER C . 98 TYR HA . 15724 4 89 3JCOHA . 1 1 97 97 TYR C C 13 . . 1 1 98 98 GLU HA H 1 . 1.77 . . 0.35 . . . 98 TYR C . 99 GLU HA . 15724 4 90 3JCOHA . 1 1 98 98 GLU C C 13 . . 1 1 99 99 TYR HA H 1 . 2.92 . . 0.35 . . . 99 GLU C . 100 TYR HA . 15724 4 91 3JCOHA . 1 1 99 99 TYR C C 13 . . 1 1 100 100 PHE HA H 1 . 1.51 . . 0.35 . . . 100 TYR C . 101 PHE HA . 15724 4 92 3JCOHA . 1 1 100 100 PHE C C 13 . . 1 1 101 101 CYS HA H 1 . 6.93 . . 0.35 . . . 101 PHE C . 102 CYS HA . 15724 4 93 3JCOHA . 1 1 101 101 CYS C C 13 . . 1 1 102 102 GLY HA2 H 1 . 2.59 . . 0.35 . . . 102 CYS C . 103 GLY HA2 . 15724 4 94 3JCOHA . 1 1 101 101 CYS C C 13 . . 1 1 102 102 GLY HA3 H 1 . 3.99 . . 0.35 . . . 102 CYS C . 103 GLY HA3 . 15724 4 95 3JCOHA . 1 1 102 102 GLY C C 13 . . 1 1 103 103 ALA HA H 1 . 0.75 . . 0.35 . . . 103 GLY C . 104 ALA HA . 15724 4 96 3JCOHA . 1 1 103 103 ALA C C 13 . . 1 1 104 104 VAL HA H 1 . 0.88 . . 0.35 . . . 104 ALA C . 105 VAL HA . 15724 4 97 3JCOHA . 1 1 104 104 VAL C C 13 . . 1 1 105 105 ASP HA H 1 . 0.88 . . 0.35 . . . 105 VAL C . 106 ASP HA . 15724 4 98 3JCOHA . 1 1 105 105 ASP C C 13 . . 1 1 106 106 ALA HA H 1 . 1.01 . . 0.35 . . . 106 ASP C . 107 ALA HA . 15724 4 99 3JCOHA . 1 1 106 106 ALA C C 13 . . 1 1 107 107 ILE HA H 1 . 1.46 . . 0.35 . . . 107 ALA C . 108 ILE HA . 15724 4 100 3JCOHA . 1 1 107 107 ILE C C 13 . . 1 1 108 108 GLU HA H 1 . 1.10 . . 0.35 . . . 108 ILE C . 109 GLU HA . 15724 4 101 3JCOHA . 1 1 108 108 GLU C C 13 . . 1 1 109 109 GLU HA H 1 . 1.01 . . 0.35 . . . 109 GLU C . 110 GLU HA . 15724 4 102 3JCOHA . 1 1 110 110 LYS C C 13 . . 1 1 111 111 LEU HA H 1 . 0.68 . . 0.35 . . . 111 LYS C . 112 LEU HA . 15724 4 103 3JCOHA . 1 1 111 111 LEU C C 13 . . 1 1 112 112 LYS HA H 1 . 1.33 . . 0.35 . . . 112 LEU C . 113 LYS HA . 15724 4 104 3JCOHA . 1 1 112 112 LYS C C 13 . . 1 1 113 113 ASN HA H 1 . 1.67 . . 0.35 . . . 113 LYS C . 114 ASN HA . 15724 4 105 3JCOHA . 1 1 113 113 ASN C C 13 . . 1 1 114 114 LEU HA H 1 . 2.39 . . 0.35 . . . 114 ASN C . 115 LEU HA . 15724 4 106 3JCOHA . 1 1 114 114 LEU C C 13 . . 1 1 115 115 GLY HA2 H 1 . 5.08 . . 0.35 . . . 115 LEU C . 116 GLY HA2 . 15724 4 107 3JCOHA . 1 1 114 114 LEU C C 13 . . 1 1 115 115 GLY HA3 H 1 . 3.32 . . 0.35 . . . 115 LEU C . 116 GLY HA3 . 15724 4 108 3JCOHA . 1 1 115 115 GLY C C 13 . . 1 1 116 116 ALA HA H 1 . 1.48 . . 0.35 . . . 116 GLY C . 117 ALA HA . 15724 4 109 3JCOHA . 1 1 116 116 ALA C C 13 . . 1 1 117 117 GLU HA H 1 . 2.93 . . 0.35 . . . 117 ALA C . 118 GLU HA . 15724 4 110 3JCOHA . 1 1 117 117 GLU C C 13 . . 1 1 118 118 ILE HA H 1 . 1.97 . . 0.35 . . . 118 GLU C . 119 ILE HA . 15724 4 111 3JCOHA . 1 1 118 118 ILE C C 13 . . 1 1 119 119 VAL HA H 1 . 2.49 . . 0.35 . . . 119 ILE C . 120 VAL HA . 15724 4 112 3JCOHA . 1 1 119 119 VAL C C 13 . . 1 1 120 120 GLN HA H 1 . 2.14 . . 0.35 . . . 120 VAL C . 121 GLN HA . 15724 4 113 3JCOHA . 1 1 120 120 GLN C C 13 . . 1 1 121 121 ASP HA H 1 . 0.69 . . 0.35 . . . 121 GLN C . 122 ASP HA . 15724 4 114 3JCOHA . 1 1 122 122 GLY C C 13 . . 1 1 123 123 LEU HA H 1 . 2.83 . . 0.35 . . . 123 GLY C . 124 LEU HA . 15724 4 115 3JCOHA . 1 1 124 124 ARG C C 13 . . 1 1 125 125 ILE HA H 1 . 2.64 . . 0.35 . . . 125 ARG C . 126 ILE HA . 15724 4 116 3JCOHA . 1 1 125 125 ILE C C 13 . . 1 1 126 126 ASP HA H 1 . 2.56 . . 0.35 . . . 126 ILE C . 127 ASP HA . 15724 4 117 3JCOHA . 1 1 126 126 ASP C C 13 . . 1 1 127 127 GLY HA2 H 1 . 4.83 . . 0.35 . . . 127 ASP C . 128 GLY HA2 . 15724 4 118 3JCOHA . 1 1 126 126 ASP C C 13 . . 1 1 127 127 GLY HA3 H 1 . 2.04 . . 0.35 . . . 127 ASP C . 128 GLY HA3 . 15724 4 119 3JCOHA . 1 1 127 127 GLY C C 13 . . 1 1 128 128 ASP HA H 1 . 2.05 . . 0.35 . . . 128 GLY C . 129 ASP HA . 15724 4 120 3JCOHA . 1 1 129 129 PRO C C 13 . . 1 1 130 130 ARG HA H 1 . 0.83 . . 0.35 . . . 130 PRO C . 131 ARG HA . 15724 4 121 3JCOHA . 1 1 130 130 ARG C C 13 . . 1 1 131 131 ALA HA H 1 . 1.93 . . 0.35 . . . 131 ARG C . 132 ALA HA . 15724 4 122 3JCOHA . 1 1 131 131 ALA C C 13 . . 1 1 132 132 ALA HA H 1 . 2.99 . . 0.35 . . . 132 ALA C . 133 ALA HA . 15724 4 123 3JCOHA . 1 1 132 132 ALA C C 13 . . 1 1 133 133 ARG HA H 1 . 1.29 . . 0.35 . . . 133 ALA C . 134 ARG HA . 15724 4 124 3JCOHA . 1 1 133 133 ARG C C 13 . . 1 1 134 134 ASP HA H 1 . 1.30 . . 0.35 . . . 134 ARG C . 135 ASP HA . 15724 4 125 3JCOHA . 1 1 135 135 ASP C C 13 . . 1 1 136 136 ILE HA H 1 . 1.34 . . 0.35 . . . 136 ASP C . 137 ILE HA . 15724 4 126 3JCOHA . 1 1 136 136 ILE C C 13 . . 1 1 137 137 VAL HA H 1 . 0.70 . . 0.35 . . . 137 ILE C . 138 VAL HA . 15724 4 127 3JCOHA . 1 1 137 137 VAL C C 13 . . 1 1 138 138 GLY HA2 H 1 . 1.45 . . 0.35 . . . 138 VAL C . 139 GLY HA2 . 15724 4 128 3JCOHA . 1 1 137 137 VAL C C 13 . . 1 1 138 138 GLY HA3 H 1 . 6.67 . . 0.35 . . . 138 VAL C . 139 GLY HA3 . 15724 4 129 3JCOHA . 1 1 138 138 GLY C C 13 . . 1 1 139 139 TRP HA H 1 . 0.97 . . 0.35 . . . 139 GLY C . 140 TRP HA . 15724 4 130 3JCOHA . 1 1 139 139 TRP C C 13 . . 1 1 140 140 ALA HA H 1 . 1.84 . . 0.35 . . . 140 TRP C . 141 ALA HA . 15724 4 131 3JCOHA . 1 1 140 140 ALA C C 13 . . 1 1 141 141 HIS HA H 1 . 1.41 . . 0.35 . . . 141 ALA C . 142 HIS HA . 15724 4 132 3JCOHA . 1 1 141 141 HIS C C 13 . . 1 1 142 142 ASP HA H 1 . 0.27 . . 0.35 . . . 142 HIS C . 143 ASP HA . 15724 4 133 3JCOHA . 1 1 142 142 ASP C C 13 . . 1 1 143 143 VAL HA H 1 . 1.34 . . 0.35 . . . 143 ASP C . 144 VAL HA . 15724 4 134 3JCOHA . 1 1 143 143 VAL C C 13 . . 1 1 144 144 ARG HA H 1 . 1.45 . . 0.35 . . . 144 VAL C . 145 ARG HA . 15724 4 135 3JCOHA . 1 1 144 144 ARG C C 13 . . 1 1 145 145 GLY HA2 H 1 . 1.76 . . 0.35 . . . 145 ARG C . 146 GLY HA2 . 15724 4 136 3JCOHA . 1 1 144 144 ARG C C 13 . . 1 1 145 145 GLY HA3 H 1 . 5.20 . . 0.35 . . . 145 ARG C . 146 GLY HA3 . 15724 4 137 3JCOHA . 1 1 145 145 GLY C C 13 . . 1 1 146 146 ALA HA H 1 . 2.41 . . 0.35 . . . 146 GLY C . 147 ALA HA . 15724 4 138 3JCOHA . 1 1 146 146 ALA C C 13 . . 1 1 147 147 ILE HA H 1 . 2.64 . . 0.35 . . . 147 ALA C . 148 ILE HA . 15724 4 stop_ save_ save_3JCOCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCO _Coupling_constant_list.Entry_ID 15724 _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 . _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 CO-coupled H(N)CA,CO-E.COSY' . . . 15724 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 PRO C C 13 . . 1 1 2 2 LYS C C 13 . 0.74 . . 0.35 . . . 2 PRO C . 3 LYS C . 15724 5 2 3JCOCO . 1 1 2 2 LYS C C 13 . . 1 1 3 3 ALA C C 13 . 1.41 . . 0.35 . . . 3 LYS C . 4 ALA C . 15724 5 3 3JCOCO . 1 1 3 3 ALA C C 13 . . 1 1 4 4 LEU C C 13 . 1.78 . . 0.35 . . . 4 ALA C . 5 LEU C . 15724 5 4 3JCOCO . 1 1 4 4 LEU C C 13 . . 1 1 5 5 ILE C C 13 . 2.11 . . 0.35 . . . 5 LEU C . 6 ILE C . 15724 5 5 3JCOCO . 1 1 6 6 VAL C C 13 . . 1 1 7 7 TYR C C 13 . 1.55 . . 0.35 . . . 7 VAL C . 8 TYR C . 15724 5 6 3JCOCO . 1 1 8 8 GLY C C 13 . . 1 1 9 9 SER C C 13 . 2.04 . . 0.35 . . . 9 GLY C . 10 SER C . 15724 5 7 3JCOCO . 1 1 10 10 THR C C 13 . . 1 1 11 11 THR C C 13 . 0.64 . . 0.35 . . . 11 THR C . 12 THR C . 15724 5 8 3JCOCO . 1 1 11 11 THR C C 13 . . 1 1 12 12 GLY C C 13 . 0.04 . . 0.35 . . . 12 THR C . 13 GLY C . 15724 5 9 3JCOCO . 1 1 14 14 THR C C 13 . . 1 1 15 15 GLU C C 13 . 0.05 . . 0.35 . . . 15 THR C . 16 GLU C . 15724 5 10 3JCOCO . 1 1 15 15 GLU C C 13 . . 1 1 16 16 TYR C C 13 . 0.25 . . 0.35 . . . 16 GLU C . 17 TYR C . 15724 5 11 3JCOCO . 1 1 16 16 TYR C C 13 . . 1 1 17 17 THR C C 13 . 0.73 . . 0.35 . . . 17 TYR C . 18 THR C . 15724 5 12 3JCOCO . 1 1 17 17 THR C C 13 . . 1 1 18 18 ALA C C 13 . 0.64 . . 0.35 . . . 18 THR C . 19 ALA C . 15724 5 13 3JCOCO . 1 1 18 18 ALA C C 13 . . 1 1 19 19 GLU C C 13 . 0.53 . . 0.35 . . . 19 ALA C . 20 GLU C . 15724 5 14 3JCOCO . 1 1 19 19 GLU C C 13 . . 1 1 20 20 THR C C 13 . 0.56 . . 0.35 . . . 20 GLU C . 21 THR C . 15724 5 15 3JCOCO . 1 1 20 20 THR C C 13 . . 1 1 21 21 ILE C C 13 . 0.02 . . 0.35 . . . 21 THR C . 22 ILE C . 15724 5 16 3JCOCO . 1 1 21 21 ILE C C 13 . . 1 1 22 22 ALA C C 13 . 0.82 . . 0.35 . . . 22 ILE C . 23 ALA C . 15724 5 17 3JCOCO . 1 1 22 22 ALA C C 13 . . 1 1 23 23 ARG C C 13 . 0.55 . . 0.35 . . . 23 ALA C . 24 ARG C . 15724 5 18 3JCOCO . 1 1 24 24 GLU C C 13 . . 1 1 25 25 LEU C C 13 . 0.50 . . 0.35 . . . 25 GLU C . 26 LEU C . 15724 5 19 3JCOCO . 1 1 25 25 LEU C C 13 . . 1 1 26 26 ALA C C 13 . 0.77 . . 0.35 . . . 26 LEU C . 27 ALA C . 15724 5 20 3JCOCO . 1 1 26 26 ALA C C 13 . . 1 1 27 27 ASP C C 13 . 0.17 . . 0.35 . . . 27 ALA C . 28 ASP C . 15724 5 21 3JCOCO . 1 1 27 27 ASP C C 13 . . 1 1 28 28 ALA C C 13 . 0.95 . . 0.35 . . . 28 ASP C . 29 ALA C . 15724 5 22 3JCOCO . 1 1 28 28 ALA C C 13 . . 1 1 29 29 GLY C C 13 . 0.42 . . 0.35 . . . 29 ALA C . 30 GLY C . 15724 5 23 3JCOCO . 1 1 29 29 GLY C C 13 . . 1 1 30 30 TYR C C 13 . 0.77 . . 0.35 . . . 30 GLY C . 31 TYR C . 15724 5 24 3JCOCO . 1 1 30 30 TYR C C 13 . . 1 1 31 31 GLU C C 13 . 0.83 . . 0.35 . . . 31 TYR C . 32 GLU C . 15724 5 25 3JCOCO . 1 1 31 31 GLU C C 13 . . 1 1 32 32 VAL C C 13 . 1.67 . . 0.35 . . . 32 GLU C . 33 VAL C . 15724 5 26 3JCOCO . 1 1 32 32 VAL C C 13 . . 1 1 33 33 ASP C C 13 . 1.51 . . 0.35 . . . 33 VAL C . 34 ASP C . 15724 5 27 3JCOCO . 1 1 33 33 ASP C C 13 . . 1 1 34 34 SER C C 13 . 1.33 . . 0.35 . . . 34 ASP C . 35 SER C . 15724 5 28 3JCOCO . 1 1 34 34 SER C C 13 . . 1 1 35 35 ARG C C 13 . 2.40 . . 0.35 . . . 35 SER C . 36 ARG C . 15724 5 29 3JCOCO . 1 1 35 35 ARG C C 13 . . 1 1 36 36 ASP C C 13 . -0.19 . . 0.35 . . . 36 ARG C . 37 ASP C . 15724 5 30 3JCOCO . 1 1 36 36 ASP C C 13 . . 1 1 37 37 ALA C C 13 . -0.11 . . 0.35 . . . 37 ASP C . 38 ALA C . 15724 5 31 3JCOCO . 1 1 38 38 ALA C C 13 . . 1 1 39 39 SER C C 13 . 1.13 . . 0.35 . . . 39 ALA C . 40 SER C . 15724 5 32 3JCOCO . 1 1 39 39 SER C C 13 . . 1 1 40 40 VAL C C 13 . 0.74 . . 0.35 . . . 40 SER C . 41 VAL C . 15724 5 33 3JCOCO . 1 1 40 40 VAL C C 13 . . 1 1 41 41 GLU C C 13 . 1.24 . . 0.35 . . . 41 VAL C . 42 GLU C . 15724 5 34 3JCOCO . 1 1 41 41 GLU C C 13 . . 1 1 42 42 ALA C C 13 . 0.43 . . 0.35 . . . 42 GLU C . 43 ALA C . 15724 5 35 3JCOCO . 1 1 42 42 ALA C C 13 . . 1 1 43 43 GLY C C 13 . -0.17 . . 0.35 . . . 43 ALA C . 44 GLY C . 15724 5 36 3JCOCO . 1 1 43 43 GLY C C 13 . . 1 1 44 44 GLY C C 13 . 0.35 . . 0.35 . . . 44 GLY C . 45 GLY C . 15724 5 37 3JCOCO . 1 1 44 44 GLY C C 13 . . 1 1 45 45 LEU C C 13 . 0.06 . . 0.35 . . . 45 GLY C . 46 LEU C . 15724 5 38 3JCOCO . 1 1 45 45 LEU C C 13 . . 1 1 46 46 PHE C C 13 . -0.36 . . 0.35 . . . 46 LEU C . 47 PHE C . 15724 5 39 3JCOCO . 1 1 46 46 PHE C C 13 . . 1 1 47 47 GLU C C 13 . 0.25 . . 0.35 . . . 47 PHE C . 48 GLU C . 15724 5 40 3JCOCO . 1 1 47 47 GLU C C 13 . . 1 1 48 48 GLY C C 13 . 0.48 . . 0.35 . . . 48 GLU C . 49 GLY C . 15724 5 41 3JCOCO . 1 1 48 48 GLY C C 13 . . 1 1 49 49 PHE C C 13 . 0.43 . . 0.35 . . . 49 GLY C . 50 PHE C . 15724 5 42 3JCOCO . 1 1 49 49 PHE C C 13 . . 1 1 50 50 ASP C C 13 . 0.05 . . 0.35 . . . 50 PHE C . 51 ASP C . 15724 5 43 3JCOCO . 1 1 50 50 ASP C C 13 . . 1 1 51 51 LEU C C 13 . 2.24 . . 0.35 . . . 51 ASP C . 52 LEU C . 15724 5 44 3JCOCO . 1 1 51 51 LEU C C 13 . . 1 1 52 52 VAL C C 13 . 1.78 . . 0.35 . . . 52 LEU C . 53 VAL C . 15724 5 45 3JCOCO . 1 1 52 52 VAL C C 13 . . 1 1 53 53 LEU C C 13 . 1.34 . . 0.35 . . . 53 VAL C . 54 LEU C . 15724 5 46 3JCOCO . 1 1 56 56 CYS C C 13 . . 1 1 57 57 SER C C 13 . 0.31 . . 0.35 . . . 57 CYS C . 58 SER C . 15724 5 47 3JCOCO . 1 1 57 57 SER C C 13 . . 1 1 58 58 THR C C 13 . 0.70 . . 0.35 . . . 58 SER C . 59 THR C . 15724 5 48 3JCOCO . 1 1 58 58 THR C C 13 . . 1 1 59 59 TRP C C 13 . 2.34 . . 0.35 . . . 59 THR C . 60 TRP C . 15724 5 49 3JCOCO . 1 1 60 60 GLY C C 13 . . 1 1 61 61 ASP C C 13 . -0.02 . . 0.35 . . . 61 GLY C . 62 ASP C . 15724 5 50 3JCOCO . 1 1 62 62 ASP C C 13 . . 1 1 63 63 SER C C 13 . 2.32 . . 0.35 . . . 63 ASP C . 64 SER C . 15724 5 51 3JCOCO . 1 1 63 63 SER C C 13 . . 1 1 64 64 ILE C C 13 . 0.58 . . 0.35 . . . 64 SER C . 65 ILE C . 15724 5 52 3JCOCO . 1 1 64 64 ILE C C 13 . . 1 1 65 65 GLU C C 13 . 1.58 . . 0.35 . . . 65 ILE C . 66 GLU C . 15724 5 53 3JCOCO . 1 1 66 66 LEU C C 13 . . 1 1 67 67 GLN C C 13 . 0.71 . . 0.35 . . . 67 LEU C . 68 GLN C . 15724 5 54 3JCOCO . 1 1 68 68 ASP C C 13 . . 1 1 69 69 ASP C C 13 . 0.25 . . 0.35 . . . 69 ASP C . 70 ASP C . 15724 5 55 3JCOCO . 1 1 69 69 ASP C C 13 . . 1 1 70 70 PHE C C 13 . 1.02 . . 0.35 . . . 70 ASP C . 71 PHE C . 15724 5 56 3JCOCO . 1 1 70 70 PHE C C 13 . . 1 1 71 71 ILE C C 13 . 0.30 . . 0.35 . . . 71 PHE C . 72 ILE C . 15724 5 57 3JCOCO . 1 1 72 72 PRO C C 13 . . 1 1 73 73 LEU C C 13 . 0.73 . . 0.35 . . . 73 PRO C . 74 LEU C . 15724 5 58 3JCOCO . 1 1 73 73 LEU C C 13 . . 1 1 74 74 PHE C C 13 . 0.67 . . 0.35 . . . 74 LEU C . 75 PHE C . 15724 5 59 3JCOCO . 1 1 74 74 PHE C C 13 . . 1 1 75 75 ASP C C 13 . 0.40 . . 0.35 . . . 75 PHE C . 76 ASP C . 15724 5 60 3JCOCO . 1 1 77 77 LEU C C 13 . . 1 1 78 78 GLU C C 13 . 0.07 . . 0.35 . . . 78 LEU C . 79 GLU C . 15724 5 61 3JCOCO . 1 1 78 78 GLU C C 13 . . 1 1 79 79 GLU C C 13 . 0.42 . . 0.35 . . . 79 GLU C . 80 GLU C . 15724 5 62 3JCOCO . 1 1 79 79 GLU C C 13 . . 1 1 80 80 THR C C 13 . 0.27 . . 0.35 . . . 80 GLU C . 81 THR C . 15724 5 63 3JCOCO . 1 1 80 80 THR C C 13 . . 1 1 81 81 GLY C C 13 . 0.55 . . 0.35 . . . 81 THR C . 82 GLY C . 15724 5 64 3JCOCO . 1 1 81 81 GLY C C 13 . . 1 1 82 82 ALA C C 13 . 0.30 . . 0.35 . . . 82 GLY C . 83 ALA C . 15724 5 65 3JCOCO . 1 1 82 82 ALA C C 13 . . 1 1 83 83 GLN C C 13 . -0.02 . . 0.35 . . . 83 ALA C . 84 GLN C . 15724 5 66 3JCOCO . 1 1 83 83 GLN C C 13 . . 1 1 84 84 GLY C C 13 . 0.26 . . 0.35 . . . 84 GLN C . 85 GLY C . 15724 5 67 3JCOCO . 1 1 84 84 GLY C C 13 . . 1 1 85 85 ARG C C 13 . 0.75 . . 0.35 . . . 85 GLY C . 86 ARG C . 15724 5 68 3JCOCO . 1 1 85 85 ARG C C 13 . . 1 1 86 86 LYS C C 13 . -0.02 . . 0.35 . . . 86 ARG C . 87 LYS C . 15724 5 69 3JCOCO . 1 1 86 86 LYS C C 13 . . 1 1 87 87 VAL C C 13 . 2.02 . . 0.35 . . . 87 LYS C . 88 VAL C . 15724 5 70 3JCOCO . 1 1 87 87 VAL C C 13 . . 1 1 88 88 ALA C C 13 . 2.74 . . 0.35 . . . 88 VAL C . 89 ALA C . 15724 5 71 3JCOCO . 1 1 88 88 ALA C C 13 . . 1 1 89 89 CYS C C 13 . 1.69 . . 0.35 . . . 89 ALA C . 90 CYS C . 15724 5 72 3JCOCO . 1 1 89 89 CYS C C 13 . . 1 1 90 90 PHE C C 13 . 2.21 . . 0.35 . . . 90 CYS C . 91 PHE C . 15724 5 73 3JCOCO . 1 1 90 90 PHE C C 13 . . 1 1 91 91 GLY C C 13 . 3.03 . . 0.35 . . . 91 PHE C . 92 GLY C . 15724 5 74 3JCOCO . 1 1 92 92 CYS C C 13 . . 1 1 93 93 GLY C C 13 . 2.83 . . 0.35 . . . 93 CYS C . 94 GLY C . 15724 5 75 3JCOCO . 1 1 93 93 GLY C C 13 . . 1 1 94 94 ASP C C 13 . 2.67 . . 0.35 . . . 94 GLY C . 95 ASP C . 15724 5 76 3JCOCO . 1 1 94 94 ASP C C 13 . . 1 1 95 95 SER C C 13 . -0.21 . . 0.35 . . . 95 ASP C . 96 SER C . 15724 5 77 3JCOCO . 1 1 96 96 SER C C 13 . . 1 1 97 97 TYR C C 13 . 0.73 . . 0.35 . . . 97 SER C . 98 TYR C . 15724 5 78 3JCOCO . 1 1 98 98 GLU C C 13 . . 1 1 99 99 TYR C C 13 . 0.38 . . 0.35 . . . 99 GLU C . 100 TYR C . 15724 5 79 3JCOCO . 1 1 99 99 TYR C C 13 . . 1 1 100 100 PHE C C 13 . 0.62 . . 0.35 . . . 100 TYR C . 101 PHE C . 15724 5 80 3JCOCO . 1 1 101 101 CYS C C 13 . . 1 1 102 102 GLY C C 13 . 0.50 . . 0.35 . . . 102 CYS C . 103 GLY C . 15724 5 81 3JCOCO . 1 1 103 103 ALA C C 13 . . 1 1 104 104 VAL C C 13 . 0.47 . . 0.35 . . . 104 ALA C . 105 VAL C . 15724 5 82 3JCOCO . 1 1 104 104 VAL C C 13 . . 1 1 105 105 ASP C C 13 . 0.29 . . 0.35 . . . 105 VAL C . 106 ASP C . 15724 5 83 3JCOCO . 1 1 105 105 ASP C C 13 . . 1 1 106 106 ALA C C 13 . 0.40 . . 0.35 . . . 106 ASP C . 107 ALA C . 15724 5 84 3JCOCO . 1 1 106 106 ALA C C 13 . . 1 1 107 107 ILE C C 13 . 0.75 . . 0.35 . . . 107 ALA C . 108 ILE C . 15724 5 85 3JCOCO . 1 1 107 107 ILE C C 13 . . 1 1 108 108 GLU C C 13 . 0.40 . . 0.35 . . . 108 ILE C . 109 GLU C . 15724 5 86 3JCOCO . 1 1 108 108 GLU C C 13 . . 1 1 109 109 GLU C C 13 . 0.47 . . 0.35 . . . 109 GLU C . 110 GLU C . 15724 5 87 3JCOCO . 1 1 109 109 GLU C C 13 . . 1 1 110 110 LYS C C 13 . -0.12 . . 0.35 . . . 110 GLU C . 111 LYS C . 15724 5 88 3JCOCO . 1 1 110 110 LYS C C 13 . . 1 1 111 111 LEU C C 13 . 1.01 . . 0.35 . . . 111 LYS C . 112 LEU C . 15724 5 89 3JCOCO . 1 1 111 111 LEU C C 13 . . 1 1 112 112 LYS C C 13 . 0.20 . . 0.35 . . . 112 LEU C . 113 LYS C . 15724 5 90 3JCOCO . 1 1 112 112 LYS C C 13 . . 1 1 113 113 ASN C C 13 . -0.05 . . 0.35 . . . 113 LYS C . 114 ASN C . 15724 5 91 3JCOCO . 1 1 113 113 ASN C C 13 . . 1 1 114 114 LEU C C 13 . 0.07 . . 0.35 . . . 114 ASN C . 115 LEU C . 15724 5 92 3JCOCO . 1 1 114 114 LEU C C 13 . . 1 1 115 115 GLY C C 13 . -0.12 . . 0.35 . . . 115 LEU C . 116 GLY C . 15724 5 93 3JCOCO . 1 1 115 115 GLY C C 13 . . 1 1 116 116 ALA C C 13 . 0.37 . . 0.35 . . . 116 GLY C . 117 ALA C . 15724 5 94 3JCOCO . 1 1 116 116 ALA C C 13 . . 1 1 117 117 GLU C C 13 . 0.30 . . 0.35 . . . 117 ALA C . 118 GLU C . 15724 5 95 3JCOCO . 1 1 117 117 GLU C C 13 . . 1 1 118 118 ILE C C 13 . 0.40 . . 0.35 . . . 118 GLU C . 119 ILE C . 15724 5 96 3JCOCO . 1 1 118 118 ILE C C 13 . . 1 1 119 119 VAL C C 13 . 0.28 . . 0.35 . . . 119 ILE C . 120 VAL C . 15724 5 97 3JCOCO . 1 1 119 119 VAL C C 13 . . 1 1 120 120 GLN C C 13 . 2.76 . . 0.35 . . . 120 VAL C . 121 GLN C . 15724 5 98 3JCOCO . 1 1 120 120 GLN C C 13 . . 1 1 121 121 ASP C C 13 . 0.44 . . 0.35 . . . 121 Gln C . 122 ASP C . 15724 5 99 3JCOCO . 1 1 122 122 GLY C C 13 . . 1 1 123 123 LEU C C 13 . 0.20 . . 0.35 . . . 123 GLY C . 124 LEU C . 15724 5 100 3JCOCO . 1 1 124 124 ARG C C 13 . . 1 1 125 125 ILE C C 13 . 1.14 . . 0.35 . . . 125 ARG C . 126 ILE C . 15724 5 101 3JCOCO . 1 1 125 125 ILE C C 13 . . 1 1 126 126 ASP C C 13 . 0.69 . . 0.35 . . . 126 ILE C . 127 ASP C . 15724 5 102 3JCOCO . 1 1 126 126 ASP C C 13 . . 1 1 127 127 GLY C C 13 . 0.52 . . 0.35 . . . 127 ASP C . 128 GLY C . 15724 5 103 3JCOCO . 1 1 127 127 GLY C C 13 . . 1 1 128 128 ASP C C 13 . 0.47 . . 0.35 . . . 128 GLY C . 129 ASP C . 15724 5 104 3JCOCO . 1 1 129 129 PRO C C 13 . . 1 1 130 130 ARG C C 13 . 0.81 . . 0.35 . . . 130 PRO C . 131 ARG C . 15724 5 105 3JCOCO . 1 1 130 130 ARG C C 13 . . 1 1 131 131 ALA C C 13 . 0.69 . . 0.35 . . . 131 ARG C . 132 ALA C . 15724 5 106 3JCOCO . 1 1 131 131 ALA C C 13 . . 1 1 132 132 ALA C C 13 . 1.27 . . 0.35 . . . 132 ALA C . 133 ALA C . 15724 5 107 3JCOCO . 1 1 132 132 ALA C C 13 . . 1 1 133 133 ARG C C 13 . 0.49 . . 0.35 . . . 133 ALA C . 134 ARG C . 15724 5 108 3JCOCO . 1 1 133 133 ARG C C 13 . . 1 1 134 134 ASP C C 13 . 0.69 . . 0.35 . . . 134 ARG C . 135 ASP C . 15724 5 109 3JCOCO . 1 1 134 134 ASP C C 13 . . 1 1 135 135 ASP C C 13 . 0.53 . . 0.35 . . . 135 ASP C . 136 ASP C . 15724 5 110 3JCOCO . 1 1 135 135 ASP C C 13 . . 1 1 136 136 ILE C C 13 . -0.31 . . 0.35 . . . 136 ASP C . 137 ILE C . 15724 5 111 3JCOCO . 1 1 136 136 ILE C C 13 . . 1 1 137 137 VAL C C 13 . 0.38 . . 0.35 . . . 137 ILE C . 138 VAL C . 15724 5 112 3JCOCO . 1 1 137 137 VAL C C 13 . . 1 1 138 138 GLY C C 13 . -0.10 . . 0.35 . . . 138 VAL C . 139 GLY C . 15724 5 113 3JCOCO . 1 1 138 138 GLY C C 13 . . 1 1 139 139 TRP C C 13 . 0.87 . . 0.35 . . . 139 GLY C . 140 TRP C . 15724 5 114 3JCOCO . 1 1 139 139 TRP C C 13 . . 1 1 140 140 ALA C C 13 . 0.36 . . 0.35 . . . 140 TRP C . 141 ALA C . 15724 5 115 3JCOCO . 1 1 140 140 ALA C C 13 . . 1 1 141 141 HIS C C 13 . 0.39 . . 0.35 . . . 141 ALA C . 142 HIS C . 15724 5 116 3JCOCO . 1 1 141 141 HIS C C 13 . . 1 1 142 142 ASP C C 13 . -0.06 . . 0.35 . . . 142 HIS C . 143 ASP C . 15724 5 117 3JCOCO . 1 1 142 142 ASP C C 13 . . 1 1 143 143 VAL C C 13 . 0.01 . . 0.35 . . . 143 ASP C . 144 VAL C . 15724 5 118 3JCOCO . 1 1 143 143 VAL C C 13 . . 1 1 144 144 ARG C C 13 . 0.02 . . 0.35 . . . 144 VAL C . 145 ARG C . 15724 5 119 3JCOCO . 1 1 144 144 ARG C C 13 . . 1 1 145 145 GLY C C 13 . 0.68 . . 0.35 . . . 145 ARG C . 146 GLY C . 15724 5 120 3JCOCO . 1 1 145 145 GLY C C 13 . . 1 1 146 146 ALA C C 13 . 0.73 . . 0.35 . . . 146 GLY C . 147 ALA C . 15724 5 121 3JCOCO . 1 1 146 146 ALA C C 13 . . 1 1 147 147 ILE C C 13 . 0.92 . . 0.35 . . . 147 ALA C . 148 ILE C . 15724 5 stop_ save_ save_3JCOCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCB _Coupling_constant_list.Entry_ID 15724 _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 . _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 9 '3D Cb-coupled H(N)CA,CO-E.COSY' . . . 15724 6 10 '3D CO-coupled HNCACB' . . . 15724 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 1 1 PRO C C 13 . . 1 1 2 2 LYS CB C 13 . 1.41 . . 0.35 . . . 2 PRO C . 3 LYS CB . 15724 6 2 3JCOCB . 1 1 2 2 LYS C C 13 . . 1 1 3 3 ALA CB C 13 . 1.51 . . 0.35 . . . 3 LYS C . 4 ALA CB . 15724 6 3 3JCOCB . 1 1 3 3 ALA C C 13 . . 1 1 4 4 LEU CB C 13 . 1.63 . . 0.35 . . . 4 ALA C . 5 LEU CB . 15724 6 4 3JCOCB . 1 1 4 4 LEU C C 13 . . 1 1 5 5 ILE CB C 13 . 1.07 . . 0.35 . . . 5 LEU C . 6 ILE CB . 15724 6 5 3JCOCB . 1 1 5 5 ILE C C 13 . . 1 1 6 6 VAL CB C 13 . 1.38 . . 0.35 . . . 6 ILE C . 7 VAL CB . 15724 6 6 3JCOCB . 1 1 6 6 VAL C C 13 . . 1 1 7 7 TYR CB C 13 . 0.87 . . 0.35 . . . 7 VAL C . 8 TYR CB . 15724 6 7 3JCOCB . 1 1 8 8 GLY C C 13 . . 1 1 9 9 SER CB C 13 . 0.36 . . 0.35 . . . 9 GLY C . 10 SER CB . 15724 6 8 3JCOCB . 1 1 9 9 SER C C 13 . . 1 1 10 10 THR CB C 13 . 2.21 . . 0.35 . . . 10 SER C . 11 THR CB . 15724 6 9 3JCOCB . 1 1 10 10 THR C C 13 . . 1 1 11 11 THR CB C 13 . 2.04 . . 0.35 . . . 11 THR C . 12 THR CB . 15724 6 10 3JCOCB . 1 1 12 12 GLY C C 13 . . 1 1 13 13 ASN CB C 13 . 3.63 . . 0.35 . . . 13 GLY C . 14 ASN CB . 15724 6 11 3JCOCB . 1 1 13 13 ASN C C 13 . . 1 1 14 14 THR CB C 13 . 2.72 . . 0.35 . . . 14 ASN C . 15 THR CB . 15724 6 12 3JCOCB . 1 1 14 14 THR C C 13 . . 1 1 15 15 GLU CB C 13 . 2.53 . . 0.35 . . . 15 THR C . 16 GLU CB . 15724 6 13 3JCOCB . 1 1 15 15 GLU C C 13 . . 1 1 16 16 TYR CB C 13 . 3.44 . . 0.35 . . . 16 GLU C . 17 TYR CB . 15724 6 14 3JCOCB . 1 1 17 17 THR C C 13 . . 1 1 18 18 ALA CB C 13 . 3.74 . . 0.35 . . . 18 THR C . 19 ALA CB . 15724 6 15 3JCOCB . 1 1 18 18 ALA C C 13 . . 1 1 19 19 GLU CB C 13 . 3.13 . . 0.35 . . . 19 ALA C . 20 GLU CB . 15724 6 16 3JCOCB . 1 1 19 19 GLU C C 13 . . 1 1 20 20 THR CB C 13 . 3.43 . . 0.35 . . . 20 GLU C . 21 THR CB . 15724 6 17 3JCOCB . 1 1 20 20 THR C C 13 . . 1 1 21 21 ILE CB C 13 . 3.62 . . 0.35 . . . 21 THR C . 22 ILE CB . 15724 6 18 3JCOCB . 1 1 21 21 ILE C C 13 . . 1 1 22 22 ALA CB C 13 . 3.97 . . 0.35 . . . 22 ILE C . 23 ALA CB . 15724 6 19 3JCOCB . 1 1 22 22 ALA C C 13 . . 1 1 23 23 ARG CB C 13 . 3.43 . . 0.35 . . . 23 ALA C . 24 ARG CB . 15724 6 20 3JCOCB . 1 1 24 24 GLU C C 13 . . 1 1 25 25 LEU CB C 13 . 3.08 . . 0.35 . . . 25 GLU C . 26 LEU CB . 15724 6 21 3JCOCB . 1 1 25 25 LEU C C 13 . . 1 1 26 26 ALA CB C 13 . 3.29 . . 0.35 . . . 26 LEU C . 27 ALA CB . 15724 6 22 3JCOCB . 1 1 26 26 ALA C C 13 . . 1 1 27 27 ASP CB C 13 . 2.92 . . 0.35 . . . 27 ALA C . 28 ASP CB . 15724 6 23 3JCOCB . 1 1 27 27 ASP C C 13 . . 1 1 28 28 ALA CB C 13 . 2.30 . . 0.35 . . . 28 ASP C . 29 ALA CB . 15724 6 24 3JCOCB . 1 1 29 29 GLY C C 13 . . 1 1 30 30 TYR CB C 13 . 2.94 . . 0.35 . . . 30 GLY C . 31 TYR CB . 15724 6 25 3JCOCB . 1 1 30 30 TYR C C 13 . . 1 1 31 31 GLU CB C 13 . 3.13 . . 0.35 . . . 31 TYR C . 32 GLU CB . 15724 6 26 3JCOCB . 1 1 31 31 GLU C C 13 . . 1 1 32 32 VAL CB C 13 . 1.40 . . 0.35 . . . 32 GLU C . 33 VAL CB . 15724 6 27 3JCOCB . 1 1 32 32 VAL C C 13 . . 1 1 33 33 ASP CB C 13 . 1.69 . . 0.35 . . . 33 VAL C . 34 ASP CB . 15724 6 28 3JCOCB . 1 1 33 33 ASP C C 13 . . 1 1 34 34 SER CB C 13 . 1.83 . . 0.35 . . . 34 ASP C . 35 SER CB . 15724 6 29 3JCOCB . 1 1 34 34 SER C C 13 . . 1 1 35 35 ARG CB C 13 . 0.73 . . 0.35 . . . 35 SER C . 36 ARG CB . 15724 6 30 3JCOCB . 1 1 35 35 ARG C C 13 . . 1 1 36 36 ASP CB C 13 . 3.12 . . 0.35 . . . 36 ARG C . 37 ASP CB . 15724 6 31 3JCOCB . 1 1 36 36 ASP C C 13 . . 1 1 37 37 ALA CB C 13 . 3.82 . . 0.35 . . . 37 ASP C . 38 ALA CB . 15724 6 32 3JCOCB . 1 1 37 37 ALA C C 13 . . 1 1 38 38 ALA CB C 13 . 4.06 . . 0.35 . . . 38 ALA C . 39 ALA CB . 15724 6 33 3JCOCB . 1 1 38 38 ALA C C 13 . . 1 1 39 39 SER CB C 13 . 1.74 . . 0.35 . . . 39 ALA C . 40 SER CB . 15724 6 34 3JCOCB . 1 1 39 39 SER C C 13 . . 1 1 40 40 VAL CB C 13 . 1.71 . . 0.35 . . . 40 SER C . 41 VAL CB . 15724 6 35 3JCOCB . 1 1 40 40 VAL C C 13 . . 1 1 41 41 GLU CB C 13 . 1.65 . . 0.35 . . . 41 VAL C . 42 GLU CB . 15724 6 36 3JCOCB . 1 1 41 41 GLU C C 13 . . 1 1 42 42 ALA CB C 13 . 3.75 . . 0.35 . . . 42 GLU C . 43 ALA CB . 15724 6 37 3JCOCB . 1 1 44 44 GLY C C 13 . . 1 1 45 45 LEU CB C 13 . 3.14 . . 0.35 . . . 45 GLY C . 46 LEU CB . 15724 6 38 3JCOCB . 1 1 45 45 LEU C C 13 . . 1 1 46 46 PHE CB C 13 . 2.64 . . 0.35 . . . 46 LEU C . 47 PHE CB . 15724 6 39 3JCOCB . 1 1 46 46 PHE C C 13 . . 1 1 47 47 GLU CB C 13 . 3.04 . . 0.35 . . . 47 PHE C . 48 GLU CB . 15724 6 40 3JCOCB . 1 1 48 48 GLY C C 13 . . 1 1 49 49 PHE CB C 13 . 1.69 . . 0.35 . . . 49 GLY C . 50 PHE CB . 15724 6 41 3JCOCB . 1 1 49 49 PHE C C 13 . . 1 1 50 50 ASP CB C 13 . 2.43 . . 0.35 . . . 50 PHE C . 51 ASP CB . 15724 6 42 3JCOCB . 1 1 50 50 ASP C C 13 . . 1 1 51 51 LEU CB C 13 . 0.36 . . 0.35 . . . 51 ASP C . 52 LEU CB . 15724 6 43 3JCOCB . 1 1 51 51 LEU C C 13 . . 1 1 52 52 VAL CB C 13 . 1.34 . . 0.35 . . . 52 LEU C . 53 VAL CB . 15724 6 44 3JCOCB . 1 1 52 52 VAL C C 13 . . 1 1 53 53 LEU CB C 13 . 1.30 . . 0.35 . . . 53 VAL C . 54 LEU CB . 15724 6 45 3JCOCB . 1 1 53 53 LEU C C 13 . . 1 1 54 54 LEU CB C 13 . 1.68 . . 0.35 . . . 54 LEU C . 55 LEU CB . 15724 6 46 3JCOCB . 1 1 55 55 GLY C C 13 . . 1 1 56 56 CYS CB C 13 . 0.13 . . 0.35 . . . 56 GLY C . 57 CYS CB . 15724 6 47 3JCOCB . 1 1 56 56 CYS C C 13 . . 1 1 57 57 SER CB C 13 . 3.11 . . 0.35 . . . 57 CYS C . 58 SER CB . 15724 6 48 3JCOCB . 1 1 57 57 SER C C 13 . . 1 1 58 58 THR CB C 13 . 1.71 . . 0.35 . . . 58 SER C . 59 THR CB . 15724 6 49 3JCOCB . 1 1 58 58 THR C C 13 . . 1 1 59 59 TRP CB C 13 . 1.18 . . 0.35 . . . 59 THR C . 60 TRP CB . 15724 6 50 3JCOCB . 1 1 60 60 GLY C C 13 . . 1 1 61 61 ASP CB C 13 . 1.54 . . 0.35 . . . 61 GLY C . 62 ASP CB . 15724 6 51 3JCOCB . 1 1 62 62 ASP C C 13 . . 1 1 63 63 SER CB C 13 . 0.65 . . 0.35 . . . 63 ASP C . 64 SER CB . 15724 6 52 3JCOCB . 1 1 63 63 SER C C 13 . . 1 1 64 64 ILE CB C 13 . 2.41 . . 0.35 . . . 64 SER C . 65 ILE CB . 15724 6 53 3JCOCB . 1 1 64 64 ILE C C 13 . . 1 1 65 65 GLU CB C 13 . 1.38 . . 0.35 . . . 65 ILE C . 66 GLU CB . 15724 6 54 3JCOCB . 1 1 65 65 GLU C C 13 . . 1 1 66 66 LEU CB C 13 . 3.51 . . 0.35 . . . 66 GLU C . 67 LEU CB . 15724 6 55 3JCOCB . 1 1 66 66 LEU C C 13 . . 1 1 67 67 GLN CB C 13 . 3.50 . . 0.35 . . . 67 LEU C . 68 GLN CB . 15724 6 56 3JCOCB . 1 1 67 67 GLN C C 13 . . 1 1 68 68 ASP CB C 13 . 3.33 . . 0.35 . . . 68 GLN C . 69 ASP CB . 15724 6 57 3JCOCB . 1 1 68 68 ASP C C 13 . . 1 1 69 69 ASP CB C 13 . 3.66 . . 0.35 . . . 69 ASP C . 70 ASP CB . 15724 6 58 3JCOCB . 1 1 69 69 ASP C C 13 . . 1 1 70 70 PHE CB C 13 . 3.19 . . 0.35 . . . 70 ASP C . 71 PHE CB . 15724 6 59 3JCOCB . 1 1 70 70 PHE C C 13 . . 1 1 71 71 ILE CB C 13 . 3.12 . . 0.35 . . . 71 PHE C . 72 ILE CB . 15724 6 60 3JCOCB . 1 1 72 72 PRO C C 13 . . 1 1 73 73 LEU CB C 13 . 3.21 . . 0.35 . . . 73 PRO C . 74 LEU CB . 15724 6 61 3JCOCB . 1 1 73 73 LEU C C 13 . . 1 1 74 74 PHE CB C 13 . 3.50 . . 0.35 . . . 74 LEU C . 75 PHE CB . 15724 6 62 3JCOCB . 1 1 74 74 PHE C C 13 . . 1 1 75 75 ASP CB C 13 . 3.24 . . 0.35 . . . 75 PHE C . 76 ASP CB . 15724 6 63 3JCOCB . 1 1 75 75 ASP C C 13 . . 1 1 76 76 SER CB C 13 . 1.19 . . 0.35 . . . 76 ASP C . 77 SER CB . 15724 6 64 3JCOCB . 1 1 76 76 SER C C 13 . . 1 1 77 77 LEU CB C 13 . 3.20 . . 0.35 . . . 77 SER C . 78 LEU CB . 15724 6 65 3JCOCB . 1 1 77 77 LEU C C 13 . . 1 1 78 78 GLU CB C 13 . 3.09 . . 0.35 . . . 78 LEU C . 79 GLU CB . 15724 6 66 3JCOCB . 1 1 78 78 GLU C C 13 . . 1 1 79 79 GLU CB C 13 . 2.42 . . 0.35 . . . 79 GLU C . 80 GLU CB . 15724 6 67 3JCOCB . 1 1 79 79 GLU C C 13 . . 1 1 80 80 THR CB C 13 . 2.39 . . 0.35 . . . 80 GLU C . 81 THR CB . 15724 6 68 3JCOCB . 1 1 81 81 GLY C C 13 . . 1 1 82 82 ALA CB C 13 . 2.86 . . 0.35 . . . 82 GLY C . 83 ALA CB . 15724 6 69 3JCOCB . 1 1 82 82 ALA C C 13 . . 1 1 83 83 GLN CB C 13 . 3.50 . . 0.35 . . . 83 ALA C . 84 GLN CB . 15724 6 70 3JCOCB . 1 1 84 84 GLY C C 13 . . 1 1 85 85 ARG CB C 13 . 2.69 . . 0.35 . . . 85 GLY C . 86 ARG CB . 15724 6 71 3JCOCB . 1 1 85 85 ARG C C 13 . . 1 1 86 86 LYS CB C 13 . 3.11 . . 0.35 . . . 86 ARG C . 87 LYS CB . 15724 6 72 3JCOCB . 1 1 86 86 LYS C C 13 . . 1 1 87 87 VAL CB C 13 . 0.80 . . 0.35 . . . 87 LYS C . 88 VAL CB . 15724 6 73 3JCOCB . 1 1 87 87 VAL C C 13 . . 1 1 88 88 ALA CB C 13 . 0.29 . . 0.35 . . . 88 VAL C . 89 ALA CB . 15724 6 74 3JCOCB . 1 1 88 88 ALA C C 13 . . 1 1 89 89 CYS CB C 13 . 1.58 . . 0.35 . . . 89 ALA C . 90 CYS CB . 15724 6 75 3JCOCB . 1 1 89 89 CYS C C 13 . . 1 1 90 90 PHE CB C 13 . 0.29 . . 0.35 . . . 90 CYS C . 91 PHE CB . 15724 6 76 3JCOCB . 1 1 91 91 GLY C C 13 . . 1 1 92 92 CYS CB C 13 . 1.91 . . 0.35 . . . 92 GLY C . 93 CYS CB . 15724 6 77 3JCOCB . 1 1 93 93 GLY C C 13 . . 1 1 94 94 ASP CB C 13 . 0.33 . . 0.35 . . . 94 GLY C . 95 ASP CB . 15724 6 78 3JCOCB . 1 1 94 94 ASP C C 13 . . 1 1 95 95 SER CB C 13 . 2.02 . . 0.35 . . . 95 ASP C . 96 SER CB . 15724 6 79 3JCOCB . 1 1 95 95 SER C C 13 . . 1 1 96 96 SER CB C 13 . 3.11 . . 0.35 . . . 96 SER C . 97 SER CB . 15724 6 80 3JCOCB . 1 1 96 96 SER C C 13 . . 1 1 97 97 TYR CB C 13 . 2.41 . . 0.35 . . . 97 SER C . 98 TYR CB . 15724 6 81 3JCOCB . 1 1 97 97 TYR C C 13 . . 1 1 98 98 GLU CB C 13 . 2.94 . . 0.35 . . . 98 TYR C . 99 GLU CB . 15724 6 82 3JCOCB . 1 1 98 98 GLU C C 13 . . 1 1 99 99 TYR CB C 13 . 1.77 . . 0.35 . . . 99 GLU C . 100 TYR CB . 15724 6 83 3JCOCB . 1 1 99 99 TYR C C 13 . . 1 1 100 100 PHE CB C 13 . 3.31 . . 0.35 . . . 100 TYR C . 101 PHE CB . 15724 6 84 3JCOCB . 1 1 100 100 PHE C C 13 . . 1 1 101 101 CYS CB C 13 . 0.55 . . 0.35 . . . 101 PHE C . 102 CYS CB . 15724 6 85 3JCOCB . 1 1 102 102 GLY C C 13 . . 1 1 103 103 ALA CB C 13 . 3.46 . . 0.35 . . . 103 GLY C . 104 ALA CB . 15724 6 86 3JCOCB . 1 1 103 103 ALA C C 13 . . 1 1 104 104 VAL CB C 13 . 3.89 . . 0.35 . . . 104 ALA C . 105 VAL CB . 15724 6 87 3JCOCB . 1 1 104 104 VAL C C 13 . . 1 1 105 105 ASP CB C 13 . 3.55 . . 0.35 . . . 105 VAL C . 106 ASP CB . 15724 6 88 3JCOCB . 1 1 105 105 ASP C C 13 . . 1 1 106 106 ALA CB C 13 . 3.68 . . 0.35 . . . 106 ASP C . 107 ALA CB . 15724 6 89 3JCOCB . 1 1 106 106 ALA C C 13 . . 1 1 107 107 ILE CB C 13 . 3.40 . . 0.35 . . . 107 ALA C . 108 ILE CB . 15724 6 90 3JCOCB . 1 1 107 107 ILE C C 13 . . 1 1 108 108 GLU CB C 13 . 3.47 . . 0.35 . . . 108 ILE C . 109 GLU CB . 15724 6 91 3JCOCB . 1 1 108 108 GLU C C 13 . . 1 1 109 109 GLU CB C 13 . 3.32 . . 0.35 . . . 109 GLU C . 110 GLU CB . 15724 6 92 3JCOCB . 1 1 109 109 GLU C C 13 . . 1 1 110 110 LYS CB C 13 . 3.29 . . 0.35 . . . 110 GLU C . 111 LYS CB . 15724 6 93 3JCOCB . 1 1 110 110 LYS C C 13 . . 1 1 111 111 LEU CB C 13 . 3.56 . . 0.35 . . . 111 LYS C . 112 LEU CB . 15724 6 94 3JCOCB . 1 1 111 111 LEU C C 13 . . 1 1 112 112 LYS CB C 13 . 3.12 . . 0.35 . . . 112 LEU C . 113 LYS CB . 15724 6 95 3JCOCB . 1 1 112 112 LYS C C 13 . . 1 1 113 113 ASN CB C 13 . 3.21 . . 0.35 . . . 113 LYS C . 114 ASN CB . 15724 6 96 3JCOCB . 1 1 113 113 ASN C C 13 . . 1 1 114 114 LEU CB C 13 . 2.64 . . 0.35 . . . 114 ASN C . 115 LEU CB . 15724 6 97 3JCOCB . 1 1 115 115 GLY C C 13 . . 1 1 116 116 ALA CB C 13 . 3.32 . . 0.35 . . . 116 GLY C . 117 ALA CB . 15724 6 98 3JCOCB . 1 1 116 116 ALA C C 13 . . 1 1 117 117 GLU CB C 13 . 2.01 . . 0.35 . . . 117 ALA C . 118 GLU CB . 15724 6 99 3JCOCB . 1 1 117 117 GLU C C 13 . . 1 1 118 118 ILE CB C 13 . 2.95 . . 0.35 . . . 118 GLU C . 119 ILE CB . 15724 6 100 3JCOCB . 1 1 118 118 ILE C C 13 . . 1 1 119 119 VAL CB C 13 . 2.95 . . 0.35 . . . 119 ILE C . 120 VAL CB . 15724 6 101 3JCOCB . 1 1 119 119 VAL C C 13 . . 1 1 120 120 GLN CB C 13 . 0.16 . . 0.35 . . . 120 VAL C . 121 GLN CB . 15724 6 102 3JCOCB . 1 1 120 120 GLN C C 13 . . 1 1 121 121 ASP CB C 13 . 3.32 . . 0.35 . . . 121 GLN C . 122 ASP CB . 15724 6 103 3JCOCB . 1 1 122 122 GLY C C 13 . . 1 1 123 123 LEU CB C 13 . 2.61 . . 0.35 . . . 123 GLY C . 124 LEU CB . 15724 6 104 3JCOCB . 1 1 123 123 LEU C C 13 . . 1 1 124 124 ARG CB C 13 . 1.41 . . 0.35 . . . 124 LEU C . 125 ARG CB . 15724 6 105 3JCOCB . 1 1 124 124 ARG C C 13 . . 1 1 125 125 ILE CB C 13 . 2.68 . . 0.35 . . . 125 ARG C . 126 ILE CB . 15724 6 106 3JCOCB . 1 1 125 125 ILE C C 13 . . 1 1 126 126 ASP CB C 13 . 2.58 . . 0.35 . . . 126 ILE C . 127 ASP CB . 15724 6 107 3JCOCB . 1 1 129 129 PRO C C 13 . . 1 1 130 130 ARG CB C 13 . 3.21 . . 0.35 . . . 130 PRO C . 131 ARG CB . 15724 6 108 3JCOCB . 1 1 130 130 ARG C C 13 . . 1 1 131 131 ALA CB C 13 . 2.72 . . 0.35 . . . 131 ARG C . 132 ALA CB . 15724 6 109 3JCOCB . 1 1 131 131 ALA C C 13 . . 1 1 132 132 ALA CB C 13 . 1.26 . . 0.35 . . . 132 ALA C . 133 ALA CB . 15724 6 110 3JCOCB . 1 1 132 132 ALA C C 13 . . 1 1 133 133 ARG CB C 13 . 3.54 . . 0.35 . . . 133 ALA C . 134 ARG CB . 15724 6 111 3JCOCB . 1 1 133 133 ARG C C 13 . . 1 1 134 134 ASP CB C 13 . 3.20 . . 0.35 . . . 134 ARG C . 135 ASP CB . 15724 6 112 3JCOCB . 1 1 134 134 ASP C C 13 . . 1 1 135 135 ASP CB C 13 . 3.60 . . 0.35 . . . 135 ASP C . 136 ASP CB . 15724 6 113 3JCOCB . 1 1 135 135 ASP C C 13 . . 1 1 136 136 ILE CB C 13 . 2.89 . . 0.35 . . . 136 ASP C . 137 ILE CB . 15724 6 114 3JCOCB . 1 1 136 136 ILE C C 13 . . 1 1 137 137 VAL CB C 13 . 3.43 . . 0.35 . . . 137 ILE C . 138 VAL CB . 15724 6 115 3JCOCB . 1 1 138 138 GLY C C 13 . . 1 1 139 139 TRP CB C 13 . 3.90 . . 0.35 . . . 139 GLY C . 140 TRP CB . 15724 6 116 3JCOCB . 1 1 139 139 TRP C C 13 . . 1 1 140 140 ALA CB C 13 . 3.67 . . 0.35 . . . 140 TRP C . 141 ALA CB . 15724 6 117 3JCOCB . 1 1 140 140 ALA C C 13 . . 1 1 141 141 HIS CB C 13 . 3.41 . . 0.35 . . . 141 ALA C . 142 HIS CB . 15724 6 118 3JCOCB . 1 1 141 141 HIS C C 13 . . 1 1 142 142 ASP CB C 13 . 3.21 . . 0.35 . . . 142 HIS C . 143 ASP CB . 15724 6 119 3JCOCB . 1 1 142 142 ASP C C 13 . . 1 1 143 143 VAL CB C 13 . 2.95 . . 0.35 . . . 143 ASP C . 144 VAL CB . 15724 6 120 3JCOCB . 1 1 143 143 VAL C C 13 . . 1 1 144 144 ARG CB C 13 . 3.00 . . 0.35 . . . 144 VAL C . 145 ARG CB . 15724 6 121 3JCOCB . 1 1 145 145 GLY C C 13 . . 1 1 146 146 ALA CB C 13 . 2.24 . . 0.35 . . . 146 GLY C . 147 ALA CB . 15724 6 122 3JCOCB . 1 1 146 146 ALA C C 13 . . 1 1 147 147 ILE CB C 13 . 1.89 . . 0.35 . . . 147 ALA C . 148 ILE CB . 15724 6 stop_ save_