data_6758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6758 _Entry.Title ; NMR assignment of the E.coli cytolethal distending toxin CdtB-II subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-02 _Entry.Accession_date 2005-08-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Villar-Lecumberri . T. . 6758 2 B. Potter . M. . 6758 3 Zhonghua Wang . . . 6758 4 L. Dreyfus . A. . 6758 5 J. Laity . H. . 6758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6758 heteronucl_NOEs 1 6758 heteronucl_T1_relaxation 1 6758 heteronucl_T1rho_relaxation 1 6758 heteronucl_T2_relaxation 1 6758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 614 6758 '15N chemical shifts' 200 6758 '1H chemical shifts' 204 6758 'heteronuclear NOE values' 169 6758 'T1 relaxation values' 178 6758 'T2 relaxation values' 180 6758 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-07 2005-08-02 update BMRB 'complete entry citation' 6758 1 . . 2006-03-10 2005-08-02 original author 'original release' 6758 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6758 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16456702 _Citation.Full_citation . _Citation.Title 'NMR Assignment of the E. coli-II Cytolethal Distending Toxin CdtB Subunit' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 14 _Citation.Page_last 14 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maria Villar-Lecumberri . T. . 6758 1 2 Belinda Potter . M. . 6758 1 3 Zhonghua Wang . . . 6758 1 4 Lawrence Dreyfus . A. . 6758 1 5 John Laity . H. . 6758 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 6758 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8112838 _Citation.Full_citation . _Citation.Title ; Cloning, sequencing and expression of the Escherichia Coli cytolethal distending toxin genes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Infec. Immun.' _Citation.Journal_name_full . _Citation.Journal_volume 62 _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 1046 _Citation.Page_last 1051 _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 C. Pickett . L. . 6758 2 2 D. Cottle . L. . 6758 2 3 E. Pesci . C. . 6758 2 4 G. Bikah . . . 6758 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 6758 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; DNase I homologous residues in CdtB are critical for cytolethal distending toxin-mediated cell cycle arrest ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Micro.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _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 952 _Citation.Page_last 963 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Elwell . A. . 6758 3 2 L. Dreyfus . A. . 6758 3 stop_ save_ save_reference_3 _Citation.Sf_category citations _Citation.Sf_framecode reference_3 _Citation.Entry_ID 6758 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Escherichia coli CdtB mediates cytolethal distending toxin cell cycle arrest.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Infec. Immun.' _Citation.Journal_name_full . _Citation.Journal_volume 69 _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 3418 _Citation.Page_last 3422 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Elwell . . . 6758 4 2 K. Chao . L. . 6758 4 3 K. Patel . . . 6758 4 4 L. Dreyfus . A. . 6758 4 stop_ save_ save_reference_4 _Citation.Sf_category citations _Citation.Sf_framecode reference_4 _Citation.Entry_ID 6758 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Assembly and function of a bacterial genotoxin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 429 _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 429 _Citation.Page_last 433 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Nesic . . . 6758 5 2 Y. Hsu . . . 6758 5 3 C. Stebbins . E. . 6758 5 stop_ save_ save_reference_5 _Citation.Sf_category citations _Citation.Sf_framecode reference_5 _Citation.Entry_ID 6758 _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 'Nuclear localization of the Escherichia coli cytolethal distending toxin CdtB subunit.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Micro' _Citation.Journal_name_full . _Citation.Journal_volume . _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 447 _Citation.Page_last 458 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. McSweeney . A. . 6758 6 2 L. Dreyfus . A. . 6758 6 stop_ save_ save_reference_6 _Citation.Sf_category citations _Citation.Sf_framecode reference_6 _Citation.Entry_ID 6758 _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 'NMRView: A computer program for the visualization and analysis of NMR data.' _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 603 _Citation.Page_last 614 _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 B. Johnson . A. . 6758 7 2 R. Blevins . A. . 6758 7 stop_ save_ save_reference_7 _Citation.Sf_category citations _Citation.Sf_framecode reference_7 _Citation.Entry_ID 6758 _Citation.ID 8 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 277 _Citation.Page_last 293 _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. Delaglio . . . 6758 8 2 S. Grzesiek . . . 6758 8 3 G. Vuister . W. . 6758 8 4 G. Zhu . . . 6758 8 5 J. Pfeifer . . . 6758 8 6 A. Bax . . . 6758 8 stop_ save_ save_reference_8 _Citation.Sf_category citations _Citation.Sf_framecode reference_8 _Citation.Entry_ID 6758 _Citation.ID 9 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Comparison of the backbone dynamics of a folded and an unfolded SH3 domain existing in equilibrium in aqueous buffer' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue 3 _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 868 _Citation.Page_last 878 _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 N. Farrow . A. . 6758 9 2 O. Zhang . . . 6758 9 3 J. Forman-Kay . D. . 6758 9 4 L. Kay . E. . 6758 9 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6758 _Assembly.ID 1 _Assembly.Name EcCdtB-II _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 28735.3 _Assembly.Enzyme_commission_number . _Assembly.Details ; Molecular mass refers to the recombinant protein including a His-tag. Mature protein has a molecular weight of 27452.9 Da. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6758 1 stop_ 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 EcCdtB-II 1 $EcCdtB-II . . yes native no no . 'Catalytic subunit of CDT' . 6758 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Catalytic subunit of EcCDT-II' 6758 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID CDT 6758 1 'cell cycle arrest' 6758 1 DNase 6758 1 EcCdtB-II 6758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EcCdtB-II _Entity.Sf_category entity _Entity.Sf_framecode EcCdtB-II _Entity.Entry_ID 6758 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EcCdtB-II _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 ; MAHHHHHHVGTDLTDFRVAT WNLQGASATTESKWNINVRQ LISGENAVDILAVQEAGSPP STAVDTGRVIPSPGIPVREL IWNLSTNSRPQQVYIYFSAV DALGGRVNLALVSNRRADEV FVLSPVRQGGRPLLGIRIGN DAFFTAHAIAMRNNDAPALV EEVYNFFRDSRDPVHQALNW MILGDFNREPADLEMNLTVP VRRASEIISPAAATQTSQRT LDYAVAGNSVAFRPSPLQAG IVYGARRTQISSDHFPVGVS RR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _Entity.Polymer_author_seq_details ; The recombinant protein contains the following His-tag presequence: MAHHHHHHVGT. This presequence is not included in the deposited data. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 262 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 2F1N . "Structure Of Cdtb, The Biologically Active Subunit Of Cytolethal Distending Toxin" . . . . . 100.00 262 100.00 100.00 0.00e+00 . . . . 6758 1 2 no DBJ BAH72965 . "cytolethal distending toxin B [Escherichia coli]" . . . . . 97.33 269 97.65 98.04 1.09e-178 . . . . 6758 1 3 no DBJ BAL47193 . "cytolethal distending toxin B subunit, partial [Escherichia albertii]" . . . . . 53.05 139 99.28 99.28 2.02e-91 . . . . 6758 1 4 no DBJ BAL47198 . "cytolethal distending toxin B subunit, partial [Escherichia albertii]" . . . . . 53.05 139 100.00 100.00 4.08e-92 . . . . 6758 1 5 no DBJ BAL47199 . "cytolethal distending toxin B subunit, partial [Escherichia albertii]" . . . . . 53.05 139 100.00 100.00 4.08e-92 . . . . 6758 1 6 no DBJ BAL47200 . "cytolethal distending toxin B subunit, partial [Escherichia albertii]" . . . . . 53.05 139 97.84 97.84 1.89e-89 . . . . 6758 1 7 no GB AAA18786 . "CdtB [Escherichia coli]" . . . . . 97.33 269 97.65 98.43 1.31e-178 . . . . 6758 1 8 no GB ACH53455 . "cytolethal distending toxin B subunit [Escherichia albertii]" . . . . . 51.15 134 100.00 100.00 5.32e-89 . . . . 6758 1 9 no GB ACH53456 . "cytolethal distending toxin B subunit, partial [Escherichia albertii]" . . . . . 51.15 134 100.00 100.00 5.32e-89 . . . . 6758 1 10 no GB ACH53457 . "cytolethal distending toxin B subunit [Escherichia albertii]" . . . . . 51.15 134 99.25 99.25 3.38e-88 . . . . 6758 1 11 no GB ADD59823 . "cytolethal distending toxin subunit B [Escherichia albertii]" . . . . . 56.87 149 98.66 99.33 1.99e-98 . . . . 6758 1 12 no SP Q46669 . "RecName: Full=Cytolethal distending toxin subunit B; Short=CDT B; AltName: Full=Deoxyribonuclease CdtB; Flags: Precursor [Esche" . . . . . 97.33 269 97.65 98.43 1.31e-178 . . . . 6758 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EcCdtB-II . 6758 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 -11 MET . 6758 1 2 -10 ALA . 6758 1 3 -9 HIS . 6758 1 4 -8 HIS . 6758 1 5 -7 HIS . 6758 1 6 -6 HIS . 6758 1 7 -5 HIS . 6758 1 8 -4 HIS . 6758 1 9 -3 VAL . 6758 1 10 -2 GLY . 6758 1 11 -1 THR . 6758 1 12 1 ASP . 6758 1 13 2 LEU . 6758 1 14 3 THR . 6758 1 15 4 ASP . 6758 1 16 5 PHE . 6758 1 17 6 ARG . 6758 1 18 7 VAL . 6758 1 19 8 ALA . 6758 1 20 9 THR . 6758 1 21 10 TRP . 6758 1 22 11 ASN . 6758 1 23 12 LEU . 6758 1 24 13 GLN . 6758 1 25 14 GLY . 6758 1 26 15 ALA . 6758 1 27 16 SER . 6758 1 28 17 ALA . 6758 1 29 18 THR . 6758 1 30 19 THR . 6758 1 31 20 GLU . 6758 1 32 21 SER . 6758 1 33 22 LYS . 6758 1 34 23 TRP . 6758 1 35 24 ASN . 6758 1 36 25 ILE . 6758 1 37 26 ASN . 6758 1 38 27 VAL . 6758 1 39 28 ARG . 6758 1 40 29 GLN . 6758 1 41 30 LEU . 6758 1 42 31 ILE . 6758 1 43 32 SER . 6758 1 44 33 GLY . 6758 1 45 34 GLU . 6758 1 46 35 ASN . 6758 1 47 36 ALA . 6758 1 48 37 VAL . 6758 1 49 38 ASP . 6758 1 50 39 ILE . 6758 1 51 40 LEU . 6758 1 52 41 ALA . 6758 1 53 42 VAL . 6758 1 54 43 GLN . 6758 1 55 44 GLU . 6758 1 56 45 ALA . 6758 1 57 46 GLY . 6758 1 58 47 SER . 6758 1 59 48 PRO . 6758 1 60 49 PRO . 6758 1 61 50 SER . 6758 1 62 51 THR . 6758 1 63 52 ALA . 6758 1 64 53 VAL . 6758 1 65 54 ASP . 6758 1 66 55 THR . 6758 1 67 56 GLY . 6758 1 68 57 ARG . 6758 1 69 58 VAL . 6758 1 70 59 ILE . 6758 1 71 60 PRO . 6758 1 72 61 SER . 6758 1 73 62 PRO . 6758 1 74 63 GLY . 6758 1 75 64 ILE . 6758 1 76 65 PRO . 6758 1 77 66 VAL . 6758 1 78 67 ARG . 6758 1 79 68 GLU . 6758 1 80 69 LEU . 6758 1 81 70 ILE . 6758 1 82 71 TRP . 6758 1 83 72 ASN . 6758 1 84 73 LEU . 6758 1 85 74 SER . 6758 1 86 75 THR . 6758 1 87 76 ASN . 6758 1 88 77 SER . 6758 1 89 78 ARG . 6758 1 90 79 PRO . 6758 1 91 80 GLN . 6758 1 92 81 GLN . 6758 1 93 82 VAL . 6758 1 94 83 TYR . 6758 1 95 84 ILE . 6758 1 96 85 TYR . 6758 1 97 86 PHE . 6758 1 98 87 SER . 6758 1 99 88 ALA . 6758 1 100 89 VAL . 6758 1 101 90 ASP . 6758 1 102 91 ALA . 6758 1 103 92 LEU . 6758 1 104 93 GLY . 6758 1 105 94 GLY . 6758 1 106 95 ARG . 6758 1 107 96 VAL . 6758 1 108 97 ASN . 6758 1 109 98 LEU . 6758 1 110 99 ALA . 6758 1 111 100 LEU . 6758 1 112 101 VAL . 6758 1 113 102 SER . 6758 1 114 103 ASN . 6758 1 115 104 ARG . 6758 1 116 105 ARG . 6758 1 117 106 ALA . 6758 1 118 107 ASP . 6758 1 119 108 GLU . 6758 1 120 109 VAL . 6758 1 121 110 PHE . 6758 1 122 111 VAL . 6758 1 123 112 LEU . 6758 1 124 113 SER . 6758 1 125 114 PRO . 6758 1 126 115 VAL . 6758 1 127 116 ARG . 6758 1 128 117 GLN . 6758 1 129 118 GLY . 6758 1 130 119 GLY . 6758 1 131 120 ARG . 6758 1 132 121 PRO . 6758 1 133 122 LEU . 6758 1 134 123 LEU . 6758 1 135 124 GLY . 6758 1 136 125 ILE . 6758 1 137 126 ARG . 6758 1 138 127 ILE . 6758 1 139 128 GLY . 6758 1 140 129 ASN . 6758 1 141 130 ASP . 6758 1 142 131 ALA . 6758 1 143 132 PHE . 6758 1 144 133 PHE . 6758 1 145 134 THR . 6758 1 146 135 ALA . 6758 1 147 136 HIS . 6758 1 148 137 ALA . 6758 1 149 138 ILE . 6758 1 150 139 ALA . 6758 1 151 140 MET . 6758 1 152 141 ARG . 6758 1 153 142 ASN . 6758 1 154 143 ASN . 6758 1 155 144 ASP . 6758 1 156 145 ALA . 6758 1 157 146 PRO . 6758 1 158 147 ALA . 6758 1 159 148 LEU . 6758 1 160 149 VAL . 6758 1 161 150 GLU . 6758 1 162 151 GLU . 6758 1 163 152 VAL . 6758 1 164 153 TYR . 6758 1 165 154 ASN . 6758 1 166 155 PHE . 6758 1 167 156 PHE . 6758 1 168 157 ARG . 6758 1 169 158 ASP . 6758 1 170 159 SER . 6758 1 171 160 ARG . 6758 1 172 161 ASP . 6758 1 173 162 PRO . 6758 1 174 163 VAL . 6758 1 175 164 HIS . 6758 1 176 165 GLN . 6758 1 177 166 ALA . 6758 1 178 167 LEU . 6758 1 179 168 ASN . 6758 1 180 169 TRP . 6758 1 181 170 MET . 6758 1 182 171 ILE . 6758 1 183 172 LEU . 6758 1 184 173 GLY . 6758 1 185 174 ASP . 6758 1 186 175 PHE . 6758 1 187 176 ASN . 6758 1 188 177 ARG . 6758 1 189 178 GLU . 6758 1 190 179 PRO . 6758 1 191 180 ALA . 6758 1 192 181 ASP . 6758 1 193 182 LEU . 6758 1 194 183 GLU . 6758 1 195 184 MET . 6758 1 196 185 ASN . 6758 1 197 186 LEU . 6758 1 198 187 THR . 6758 1 199 188 VAL . 6758 1 200 189 PRO . 6758 1 201 190 VAL . 6758 1 202 191 ARG . 6758 1 203 192 ARG . 6758 1 204 193 ALA . 6758 1 205 194 SER . 6758 1 206 195 GLU . 6758 1 207 196 ILE . 6758 1 208 197 ILE . 6758 1 209 198 SER . 6758 1 210 199 PRO . 6758 1 211 200 ALA . 6758 1 212 201 ALA . 6758 1 213 202 ALA . 6758 1 214 203 THR . 6758 1 215 204 GLN . 6758 1 216 205 THR . 6758 1 217 206 SER . 6758 1 218 207 GLN . 6758 1 219 208 ARG . 6758 1 220 209 THR . 6758 1 221 210 LEU . 6758 1 222 211 ASP . 6758 1 223 212 TYR . 6758 1 224 213 ALA . 6758 1 225 214 VAL . 6758 1 226 215 ALA . 6758 1 227 216 GLY . 6758 1 228 217 ASN . 6758 1 229 218 SER . 6758 1 230 219 VAL . 6758 1 231 220 ALA . 6758 1 232 221 PHE . 6758 1 233 222 ARG . 6758 1 234 223 PRO . 6758 1 235 224 SER . 6758 1 236 225 PRO . 6758 1 237 226 LEU . 6758 1 238 227 GLN . 6758 1 239 228 ALA . 6758 1 240 229 GLY . 6758 1 241 230 ILE . 6758 1 242 231 VAL . 6758 1 243 232 TYR . 6758 1 244 233 GLY . 6758 1 245 234 ALA . 6758 1 246 235 ARG . 6758 1 247 236 ARG . 6758 1 248 237 THR . 6758 1 249 238 GLN . 6758 1 250 239 ILE . 6758 1 251 240 SER . 6758 1 252 241 SER . 6758 1 253 242 ASP . 6758 1 254 243 HIS . 6758 1 255 244 PHE . 6758 1 256 245 PRO . 6758 1 257 246 VAL . 6758 1 258 247 GLY . 6758 1 259 248 VAL . 6758 1 260 249 SER . 6758 1 261 250 ARG . 6758 1 262 251 ARG . 6758 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6758 1 . ALA 2 2 6758 1 . HIS 3 3 6758 1 . HIS 4 4 6758 1 . HIS 5 5 6758 1 . HIS 6 6 6758 1 . HIS 7 7 6758 1 . HIS 8 8 6758 1 . VAL 9 9 6758 1 . GLY 10 10 6758 1 . THR 11 11 6758 1 . ASP 12 12 6758 1 . LEU 13 13 6758 1 . THR 14 14 6758 1 . ASP 15 15 6758 1 . PHE 16 16 6758 1 . ARG 17 17 6758 1 . VAL 18 18 6758 1 . ALA 19 19 6758 1 . THR 20 20 6758 1 . TRP 21 21 6758 1 . ASN 22 22 6758 1 . LEU 23 23 6758 1 . GLN 24 24 6758 1 . GLY 25 25 6758 1 . ALA 26 26 6758 1 . SER 27 27 6758 1 . ALA 28 28 6758 1 . THR 29 29 6758 1 . THR 30 30 6758 1 . GLU 31 31 6758 1 . SER 32 32 6758 1 . LYS 33 33 6758 1 . TRP 34 34 6758 1 . ASN 35 35 6758 1 . ILE 36 36 6758 1 . ASN 37 37 6758 1 . VAL 38 38 6758 1 . ARG 39 39 6758 1 . GLN 40 40 6758 1 . LEU 41 41 6758 1 . ILE 42 42 6758 1 . SER 43 43 6758 1 . GLY 44 44 6758 1 . GLU 45 45 6758 1 . ASN 46 46 6758 1 . ALA 47 47 6758 1 . VAL 48 48 6758 1 . ASP 49 49 6758 1 . ILE 50 50 6758 1 . LEU 51 51 6758 1 . ALA 52 52 6758 1 . VAL 53 53 6758 1 . GLN 54 54 6758 1 . GLU 55 55 6758 1 . ALA 56 56 6758 1 . GLY 57 57 6758 1 . SER 58 58 6758 1 . PRO 59 59 6758 1 . PRO 60 60 6758 1 . SER 61 61 6758 1 . THR 62 62 6758 1 . ALA 63 63 6758 1 . VAL 64 64 6758 1 . ASP 65 65 6758 1 . THR 66 66 6758 1 . GLY 67 67 6758 1 . ARG 68 68 6758 1 . VAL 69 69 6758 1 . ILE 70 70 6758 1 . PRO 71 71 6758 1 . SER 72 72 6758 1 . PRO 73 73 6758 1 . GLY 74 74 6758 1 . ILE 75 75 6758 1 . PRO 76 76 6758 1 . VAL 77 77 6758 1 . ARG 78 78 6758 1 . GLU 79 79 6758 1 . LEU 80 80 6758 1 . ILE 81 81 6758 1 . TRP 82 82 6758 1 . ASN 83 83 6758 1 . LEU 84 84 6758 1 . SER 85 85 6758 1 . THR 86 86 6758 1 . ASN 87 87 6758 1 . SER 88 88 6758 1 . ARG 89 89 6758 1 . PRO 90 90 6758 1 . GLN 91 91 6758 1 . GLN 92 92 6758 1 . VAL 93 93 6758 1 . TYR 94 94 6758 1 . ILE 95 95 6758 1 . TYR 96 96 6758 1 . PHE 97 97 6758 1 . SER 98 98 6758 1 . ALA 99 99 6758 1 . VAL 100 100 6758 1 . ASP 101 101 6758 1 . ALA 102 102 6758 1 . LEU 103 103 6758 1 . GLY 104 104 6758 1 . GLY 105 105 6758 1 . ARG 106 106 6758 1 . VAL 107 107 6758 1 . ASN 108 108 6758 1 . LEU 109 109 6758 1 . ALA 110 110 6758 1 . LEU 111 111 6758 1 . VAL 112 112 6758 1 . SER 113 113 6758 1 . ASN 114 114 6758 1 . ARG 115 115 6758 1 . ARG 116 116 6758 1 . ALA 117 117 6758 1 . ASP 118 118 6758 1 . GLU 119 119 6758 1 . VAL 120 120 6758 1 . PHE 121 121 6758 1 . VAL 122 122 6758 1 . LEU 123 123 6758 1 . SER 124 124 6758 1 . PRO 125 125 6758 1 . VAL 126 126 6758 1 . ARG 127 127 6758 1 . GLN 128 128 6758 1 . GLY 129 129 6758 1 . GLY 130 130 6758 1 . ARG 131 131 6758 1 . PRO 132 132 6758 1 . LEU 133 133 6758 1 . LEU 134 134 6758 1 . GLY 135 135 6758 1 . ILE 136 136 6758 1 . ARG 137 137 6758 1 . ILE 138 138 6758 1 . GLY 139 139 6758 1 . ASN 140 140 6758 1 . ASP 141 141 6758 1 . ALA 142 142 6758 1 . PHE 143 143 6758 1 . PHE 144 144 6758 1 . THR 145 145 6758 1 . ALA 146 146 6758 1 . HIS 147 147 6758 1 . ALA 148 148 6758 1 . ILE 149 149 6758 1 . ALA 150 150 6758 1 . MET 151 151 6758 1 . ARG 152 152 6758 1 . ASN 153 153 6758 1 . ASN 154 154 6758 1 . ASP 155 155 6758 1 . ALA 156 156 6758 1 . PRO 157 157 6758 1 . ALA 158 158 6758 1 . LEU 159 159 6758 1 . VAL 160 160 6758 1 . GLU 161 161 6758 1 . GLU 162 162 6758 1 . VAL 163 163 6758 1 . TYR 164 164 6758 1 . ASN 165 165 6758 1 . PHE 166 166 6758 1 . PHE 167 167 6758 1 . ARG 168 168 6758 1 . ASP 169 169 6758 1 . SER 170 170 6758 1 . ARG 171 171 6758 1 . ASP 172 172 6758 1 . PRO 173 173 6758 1 . VAL 174 174 6758 1 . HIS 175 175 6758 1 . GLN 176 176 6758 1 . ALA 177 177 6758 1 . LEU 178 178 6758 1 . ASN 179 179 6758 1 . TRP 180 180 6758 1 . MET 181 181 6758 1 . ILE 182 182 6758 1 . LEU 183 183 6758 1 . GLY 184 184 6758 1 . ASP 185 185 6758 1 . PHE 186 186 6758 1 . ASN 187 187 6758 1 . ARG 188 188 6758 1 . GLU 189 189 6758 1 . PRO 190 190 6758 1 . ALA 191 191 6758 1 . ASP 192 192 6758 1 . LEU 193 193 6758 1 . GLU 194 194 6758 1 . MET 195 195 6758 1 . ASN 196 196 6758 1 . LEU 197 197 6758 1 . THR 198 198 6758 1 . VAL 199 199 6758 1 . PRO 200 200 6758 1 . VAL 201 201 6758 1 . ARG 202 202 6758 1 . ARG 203 203 6758 1 . ALA 204 204 6758 1 . SER 205 205 6758 1 . GLU 206 206 6758 1 . ILE 207 207 6758 1 . ILE 208 208 6758 1 . SER 209 209 6758 1 . PRO 210 210 6758 1 . ALA 211 211 6758 1 . ALA 212 212 6758 1 . ALA 213 213 6758 1 . THR 214 214 6758 1 . GLN 215 215 6758 1 . THR 216 216 6758 1 . SER 217 217 6758 1 . GLN 218 218 6758 1 . ARG 219 219 6758 1 . THR 220 220 6758 1 . LEU 221 221 6758 1 . ASP 222 222 6758 1 . TYR 223 223 6758 1 . ALA 224 224 6758 1 . VAL 225 225 6758 1 . ALA 226 226 6758 1 . GLY 227 227 6758 1 . ASN 228 228 6758 1 . SER 229 229 6758 1 . VAL 230 230 6758 1 . ALA 231 231 6758 1 . PHE 232 232 6758 1 . ARG 233 233 6758 1 . PRO 234 234 6758 1 . SER 235 235 6758 1 . PRO 236 236 6758 1 . LEU 237 237 6758 1 . GLN 238 238 6758 1 . ALA 239 239 6758 1 . GLY 240 240 6758 1 . ILE 241 241 6758 1 . VAL 242 242 6758 1 . TYR 243 243 6758 1 . GLY 244 244 6758 1 . ALA 245 245 6758 1 . ARG 246 246 6758 1 . ARG 247 247 6758 1 . THR 248 248 6758 1 . GLN 249 249 6758 1 . ILE 250 250 6758 1 . SER 251 251 6758 1 . SER 252 252 6758 1 . ASP 253 253 6758 1 . HIS 254 254 6758 1 . PHE 255 255 6758 1 . PRO 256 256 6758 1 . VAL 257 257 6758 1 . GLY 258 258 6758 1 . VAL 259 259 6758 1 . SER 260 260 6758 1 . ARG 261 261 6758 1 . ARG 262 262 6758 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6758 _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 $EcCdtB-II . 562 organism no . E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6758 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 6758 _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 $EcCdtB-II . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6758 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate,50 mM NaCl, 0.02% Na3N, 0.2 mM DSS, 5% D2O, ~0.4mM rEcCdtB-II' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 EcCdtB-II '[U-13C; U-15N; U-2H]' . . 1 $EcCdtB-II . protein . 0.3 0.5 mM . . . . 6758 1 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 6758 1 3 'Sodium Chloride' . . . . . . . 50 . . mM . . . . 6758 1 4 DSS . . . . . . 'internal reference' 0.2 . . mM . . . . 6758 1 5 D2O . . . . . . . 5 . . '% (v/v)' . . . . 6758 1 6 'Sodium azide' . . . . . . . 0.02 . . '% (w/v)' . . . . 6758 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6758 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 pH 6758 1 temperature 310 0.2 K 6758 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6758 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6758 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 7 $reference_6 6758 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6758 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Raw spectral data processing' 6758 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 8 $reference_7 6758 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6758 _Software.ID 3 _Software.Name CurveFit _Software.Version 1.30 _Software.Details 'Generously provided by A.G. Palmer, III, Columbia University, New York, NY' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/curvefit.html 6758 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Used to calculate RelaxT times' 6758 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_14.1_T_Varian_Inova_600_Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 14.1_T_Varian_Inova_600_Mhz _NMR_spectrometer.Entry_ID 6758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance {1H, 15N, 13C} cryogenically cooled probe (cryoprobe)' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6758 _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 2D_1H-15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 2 3D_HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 3 3D_CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 4 3D_HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 5 3D_(HCA)CO(CA)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 6 3D_HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 7 2D_15N-{1H}-HNOE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 8 2D_1H-15N_HSQC_(T1_flag) no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 9 2D_1H-15N_HSQC_(T2_flag) no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6758 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 2D_1H-15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D_CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_(HCA)CO(CA)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(HCA)CO(CA)NH _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D_(HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D_HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_2D_15N-{1H}-HNOE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_15N-{1H}-HNOE _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 15N-{1H}-HNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_2D_1H-15N_HSQC_(T1_flag) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_(T1_flag) _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D_1H-15N_HSQC (T1 flag)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_2D_1H-15N_HSQC_(T2_flag) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_(T2_flag) _NMR_spec_expt.Entry_ID 6758 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D_1H-15N_HSQC (T2 flag)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6758 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6758 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6758 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6758 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D_1H-15N_HSQC 1 $sample_1 isotropic 6758 1 2 3D_HNCACB 1 $sample_1 isotropic 6758 1 3 3D_CBCA(CO)NH 1 $sample_1 isotropic 6758 1 4 3D_HNCA 1 $sample_1 isotropic 6758 1 5 3D_(HCA)CO(CA)NH 1 $sample_1 isotropic 6758 1 6 3D_HNCO 1 $sample_1 isotropic 6758 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6758 1 2 $software_2 . . 6758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 ASP H H 1 8.32 0.015 . 1 . . . . 1 ASP H . 6758 1 2 . 1 1 12 12 ASP C C 13 177.857 0.08 . 1 . . . . 1 ASP C . 6758 1 3 . 1 1 12 12 ASP CA C 13 54.12 0.31 . 1 . . . . 1 ASP CA . 6758 1 4 . 1 1 12 12 ASP CB C 13 42.2 0.31 . 1 . . . . 1 ASP CB . 6758 1 5 . 1 1 12 12 ASP N N 15 122.67 0.14 . 1 . . . . 1 ASP N . 6758 1 6 . 1 1 13 13 LEU H H 1 8.48 0.015 . 1 . . . . 2 LEU H . 6758 1 7 . 1 1 13 13 LEU C C 13 176.89 0.08 . 1 . . . . 2 LEU C . 6758 1 8 . 1 1 13 13 LEU CA C 13 56.96 0.31 . 1 . . . . 2 LEU CA . 6758 1 9 . 1 1 13 13 LEU CB C 13 41.93 0.31 . 1 . . . . 2 LEU CB . 6758 1 10 . 1 1 13 13 LEU N N 15 122.39 0.14 . 1 . . . . 2 LEU N . 6758 1 11 . 1 1 15 15 ASP CA C 13 55.06 0.31 . 1 . . . . 4 ASP CA . 6758 1 12 . 1 1 15 15 ASP CB C 13 41.32 0.31 . 1 . . . . 4 ASP CB . 6758 1 13 . 1 1 16 16 PHE H H 1 7.52 0.015 . 1 . . . . 5 PHE H . 6758 1 14 . 1 1 16 16 PHE C C 13 175.574 0.08 . 1 . . . . 5 PHE C . 6758 1 15 . 1 1 16 16 PHE CA C 13 57.5 0.31 . 1 . . . . 5 PHE CA . 6758 1 16 . 1 1 16 16 PHE CB C 13 41.96 0.31 . 1 . . . . 5 PHE CB . 6758 1 17 . 1 1 16 16 PHE N N 15 117.72 0.14 . 1 . . . . 5 PHE N . 6758 1 18 . 1 1 17 17 ARG H H 1 9.56 0.015 . 1 . . . . 6 ARG H . 6758 1 19 . 1 1 17 17 ARG C C 13 175.958 0.08 . 1 . . . . 6 ARG C . 6758 1 20 . 1 1 17 17 ARG CA C 13 56.08 0.31 . 1 . . . . 6 ARG CA . 6758 1 21 . 1 1 17 17 ARG CB C 13 31.68 0.31 . 1 . . . . 6 ARG CB . 6758 1 22 . 1 1 17 17 ARG N N 15 125.92 0.14 . 1 . . . . 6 ARG N . 6758 1 23 . 1 1 18 18 VAL H H 1 8.38 0.015 . 1 . . . . 7 VAL H . 6758 1 24 . 1 1 18 18 VAL C C 13 174.86 0.08 . 1 . . . . 7 VAL C . 6758 1 25 . 1 1 18 18 VAL CA C 13 58.88 0.31 . 1 . . . . 7 VAL CA . 6758 1 26 . 1 1 18 18 VAL CB C 13 35.14 0.31 . 1 . . . . 7 VAL CB . 6758 1 27 . 1 1 19 19 ALA H H 1 8.59 0.015 . 1 . . . . 8 ALA H . 6758 1 28 . 1 1 19 19 ALA C C 13 174.999 0.08 . 1 . . . . 8 ALA C . 6758 1 29 . 1 1 19 19 ALA CA C 13 51.66 0.31 . 1 . . . . 8 ALA CA . 6758 1 30 . 1 1 19 19 ALA CB C 13 23.38 0.31 . 1 . . . . 8 ALA CB . 6758 1 31 . 1 1 19 19 ALA N N 15 122.1 0.14 . 1 . . . . 8 ALA N . 6758 1 32 . 1 1 20 20 THR H H 1 8.84 0.015 . 1 . . . . 9 THR H . 6758 1 33 . 1 1 20 20 THR C C 13 171.647 0.08 . 1 . . . . 9 THR C . 6758 1 34 . 1 1 20 20 THR CA C 13 58.46 0.31 . 1 . . . . 9 THR CA . 6758 1 35 . 1 1 20 20 THR CB C 13 70.32 0.31 . 1 . . . . 9 THR CB . 6758 1 36 . 1 1 20 20 THR N N 15 116.02 0.14 . 1 . . . . 9 THR N . 6758 1 37 . 1 1 21 21 TRP H H 1 9 0.015 . 1 . . . . 10 TRP H . 6758 1 38 . 1 1 21 21 TRP C C 13 175.879 0.08 . 1 . . . . 10 TRP C . 6758 1 39 . 1 1 21 21 TRP CA C 13 55.13 0.31 . 1 . . . . 10 TRP CA . 6758 1 40 . 1 1 21 21 TRP CB C 13 33.06 0.31 . 1 . . . . 10 TRP CB . 6758 1 41 . 1 1 21 21 TRP N N 15 129.17 0.14 . 1 . . . . 10 TRP N . 6758 1 42 . 1 1 22 22 ASN H H 1 8.25 0.015 . 9 . . . . 11 ASN H . 6758 1 43 . 1 1 22 22 ASN C C 13 174.936 0.08 . 9 . . . . 11 ASN C . 6758 1 44 . 1 1 22 22 ASN CA C 13 53.57 0.31 . 9 . . . . 11 ASN CA . 6758 1 45 . 1 1 22 22 ASN CB C 13 38.87 0.31 . 9 . . . . 11 ASN CB . 6758 1 46 . 1 1 22 22 ASN N N 15 119.84 0.14 . 9 . . . . 11 ASN N . 6758 1 47 . 1 1 23 23 LEU H H 1 8 0.015 . 9 . . . . 12 LEU H . 6758 1 48 . 1 1 23 23 LEU CA C 13 55.53 0.31 . 9 . . . . 12 LEU CA . 6758 1 49 . 1 1 23 23 LEU CB C 13 42.24 0.31 . 9 . . . . 12 LEU CB . 6758 1 50 . 1 1 23 23 LEU N N 15 122.81 0.14 . 9 . . . . 12 LEU N . 6758 1 51 . 1 1 24 24 GLN C C 13 176.679 0.08 . 9 . . . . 13 GLN C . 6758 1 52 . 1 1 24 24 GLN CA C 13 57.81 0.31 . 9 . . . . 13 GLN CA . 6758 1 53 . 1 1 24 24 GLN CB C 13 27.83 0.31 . 9 . . . . 13 GLN CB . 6758 1 54 . 1 1 25 25 GLY H H 1 8.62 0.015 . 9 . . . . 14 GLY H . 6758 1 55 . 1 1 25 25 GLY CA C 13 45.06 0.31 . 9 . . . . 14 GLY CA . 6758 1 56 . 1 1 25 25 GLY N N 15 116.17 0.14 . 9 . . . . 14 GLY N . 6758 1 57 . 1 1 26 26 ALA C C 13 172.57 0.08 . 1 . . . . 15 ALA C . 6758 1 58 . 1 1 26 26 ALA CA C 13 51.2 0.31 . 1 . . . . 15 ALA CA . 6758 1 59 . 1 1 26 26 ALA CB C 13 21.4 0.31 . 1 . . . . 15 ALA CB . 6758 1 60 . 1 1 27 27 SER H H 1 6.54 0.015 . 1 . . . . 16 SER H . 6758 1 61 . 1 1 27 27 SER CA C 13 57.4 0.31 . 1 . . . . 16 SER CA . 6758 1 62 . 1 1 27 27 SER CB C 13 68.55 0.31 . 1 . . . . 16 SER CB . 6758 1 63 . 1 1 28 28 ALA CA C 13 52.25 0.31 . 1 . . . . 17 ALA CA . 6758 1 64 . 1 1 28 28 ALA CB C 13 21.05 0.31 . 1 . . . . 17 ALA CB . 6758 1 65 . 1 1 29 29 THR H H 1 8.02 0.015 . 1 . . . . 18 THR H . 6758 1 66 . 1 1 29 29 THR CA C 13 61.37 0.31 . 1 . . . . 18 THR CA . 6758 1 67 . 1 1 29 29 THR CB C 13 70.49 0.31 . 1 . . . . 18 THR CB . 6758 1 68 . 1 1 29 29 THR N N 15 110.65 0.14 . 1 . . . . 18 THR N . 6758 1 69 . 1 1 30 30 THR C C 13 175.76 0.08 . 9 . . . . 19 THR C . 6758 1 70 . 1 1 30 30 THR CA C 13 62.05 0.31 . 9 . . . . 19 THR CA . 6758 1 71 . 1 1 30 30 THR CB C 13 69.68 0.31 . 9 . . . . 19 THR CB . 6758 1 72 . 1 1 31 31 GLU H H 1 7.84 0.015 . 9 . . . . 20 GLU H . 6758 1 73 . 1 1 31 31 GLU CA C 13 51.91 0.31 . 9 . . . . 20 GLU CA . 6758 1 74 . 1 1 31 31 GLU CB C 13 32.63 0.31 . 9 . . . . 20 GLU CB . 6758 1 75 . 1 1 31 31 GLU N N 15 124 0.14 . 9 . . . . 20 GLU N . 6758 1 76 . 1 1 34 34 TRP C C 13 176.271 0.08 . 1 . . . . 23 TRP C . 6758 1 77 . 1 1 34 34 TRP CA C 13 56.82 0.31 . 1 . . . . 23 TRP CA . 6758 1 78 . 1 1 34 34 TRP CB C 13 29.76 0.31 . 1 . . . . 23 TRP CB . 6758 1 79 . 1 1 34 34 TRP N N 15 116.17 0.14 . 1 . . . . 23 TRP N . 6758 1 80 . 1 1 35 35 ASN H H 1 8.19 0.015 . 1 . . . . 24 ASN H . 6758 1 81 . 1 1 35 35 ASN C C 13 174.526 0.08 . 1 . . . . 24 ASN C . 6758 1 82 . 1 1 35 35 ASN CA C 13 53.57 0.31 . 1 . . . . 24 ASN CA . 6758 1 83 . 1 1 35 35 ASN CB C 13 38.89 0.31 . 1 . . . . 24 ASN CB . 6758 1 84 . 1 1 35 35 ASN N N 15 119.42 0.14 . 1 . . . . 24 ASN N . 6758 1 85 . 1 1 36 36 ILE H H 1 7.83 0.015 . 1 . . . . 25 ILE H . 6758 1 86 . 1 1 36 36 ILE C C 13 175.495 0.08 . 1 . . . . 25 ILE C . 6758 1 87 . 1 1 36 36 ILE CA C 13 58.24 0.31 . 1 . . . . 25 ILE CA . 6758 1 88 . 1 1 36 36 ILE CB C 13 38.82 0.31 . 1 . . . . 25 ILE CB . 6758 1 89 . 1 1 36 36 ILE N N 15 121.54 0.14 . 1 . . . . 25 ILE N . 6758 1 90 . 1 1 40 40 GLN C C 13 177.141 0.08 . 9 . . . . 29 GLN C . 6758 1 91 . 1 1 40 40 GLN CA C 13 58.43 0.31 . 9 . . . . 29 GLN CA . 6758 1 92 . 1 1 40 40 GLN CB C 13 28.3 0.31 . 9 . . . . 29 GLN CB . 6758 1 93 . 1 1 40 40 GLN N N 15 116.17 0.14 . 9 . . . . 29 GLN N . 6758 1 94 . 1 1 41 41 LEU H H 1 7.52 0.015 . 1 . . . . 30 LEU H . 6758 1 95 . 1 1 41 41 LEU C C 13 177.869 0.08 . 1 . . . . 30 LEU C . 6758 1 96 . 1 1 41 41 LEU CA C 13 56.78 0.31 . 1 . . . . 30 LEU CA . 6758 1 97 . 1 1 41 41 LEU CB C 13 43.23 0.31 . 1 . . . . 30 LEU CB . 6758 1 98 . 1 1 41 41 LEU N N 15 118.43 0.14 . 1 . . . . 30 LEU N . 6758 1 99 . 1 1 42 42 ILE H H 1 7.36 0.015 . 1 . . . . 31 ILE H . 6758 1 100 . 1 1 42 42 ILE C C 13 173.996 0.08 . 1 . . . . 31 ILE C . 6758 1 101 . 1 1 42 42 ILE CA C 13 59.96 0.31 . 1 . . . . 31 ILE CA . 6758 1 102 . 1 1 42 42 ILE CB C 13 39.05 0.31 . 1 . . . . 31 ILE CB . 6758 1 103 . 1 1 42 42 ILE N N 15 109.66 0.14 . 1 . . . . 31 ILE N . 6758 1 104 . 1 1 43 43 SER H H 1 7.36 0.015 . 1 . . . . 32 SER H . 6758 1 105 . 1 1 43 43 SER C C 13 173.307 0.08 . 1 . . . . 32 SER C . 6758 1 106 . 1 1 43 43 SER CA C 13 57.36 0.31 . 1 . . . . 32 SER CA . 6758 1 107 . 1 1 43 43 SER CB C 13 66.49 0.31 . 1 . . . . 32 SER CB . 6758 1 108 . 1 1 43 43 SER N N 15 114.04 0.14 . 1 . . . . 32 SER N . 6758 1 109 . 1 1 44 44 GLY H H 1 8.24 0.015 . 1 . . . . 33 GLY H . 6758 1 110 . 1 1 44 44 GLY C C 13 174.811 0.08 . 1 . . . . 33 GLY C . 6758 1 111 . 1 1 44 44 GLY CA C 13 44.45 0.31 . 1 . . . . 33 GLY CA . 6758 1 112 . 1 1 44 44 GLY N N 15 108.81 0.14 . 1 . . . . 33 GLY N . 6758 1 113 . 1 1 45 45 GLU H H 1 8.5 0.015 . 1 . . . . 34 GLU H . 6758 1 114 . 1 1 45 45 GLU C C 13 176.257 0.08 . 1 . . . . 34 GLU C . 6758 1 115 . 1 1 45 45 GLU CA C 13 58.34 0.31 . 1 . . . . 34 GLU CA . 6758 1 116 . 1 1 45 45 GLU CB C 13 29.61 0.31 . 1 . . . . 34 GLU CB . 6758 1 117 . 1 1 45 45 GLU N N 15 120.41 0.14 . 1 . . . . 34 GLU N . 6758 1 118 . 1 1 46 46 ASN H H 1 8.63 0.015 . 1 . . . . 35 ASN H . 6758 1 119 . 1 1 46 46 ASN CA C 13 52.82 0.31 . 1 . . . . 35 ASN CA . 6758 1 120 . 1 1 46 46 ASN CB C 13 38.28 0.31 . 1 . . . . 35 ASN CB . 6758 1 121 . 1 1 46 46 ASN N N 15 118.57 0.14 . 1 . . . . 35 ASN N . 6758 1 122 . 1 1 47 47 ALA H H 1 6.93 0.015 . 1 . . . . 36 ALA H . 6758 1 123 . 1 1 47 47 ALA C C 13 179.077 0.08 . 1 . . . . 36 ALA C . 6758 1 124 . 1 1 47 47 ALA CA C 13 52.82 0.31 . 1 . . . . 36 ALA CA . 6758 1 125 . 1 1 47 47 ALA CB C 13 19.6 0.31 . 1 . . . . 36 ALA CB . 6758 1 126 . 1 1 47 47 ALA N N 15 121.4 0.14 . 1 . . . . 36 ALA N . 6758 1 127 . 1 1 48 48 VAL H H 1 7.84 0.015 . 1 . . . . 37 VAL H . 6758 1 128 . 1 1 48 48 VAL C C 13 177.618 0.08 . 1 . . . . 37 VAL C . 6758 1 129 . 1 1 48 48 VAL CA C 13 60.49 0.31 . 1 . . . . 37 VAL CA . 6758 1 130 . 1 1 48 48 VAL CB C 13 29.43 0.31 . 1 . . . . 37 VAL CB . 6758 1 131 . 1 1 48 48 VAL N N 15 117.16 0.14 . 1 . . . . 37 VAL N . 6758 1 132 . 1 1 49 49 ASP H H 1 8.39 0.015 . 1 . . . . 38 ASP H . 6758 1 133 . 1 1 49 49 ASP C C 13 175.482 0.08 . 1 . . . . 38 ASP C . 6758 1 134 . 1 1 49 49 ASP CA C 13 56.51 0.31 . 1 . . . . 38 ASP CA . 6758 1 135 . 1 1 49 49 ASP CB C 13 39.43 0.31 . 1 . . . . 38 ASP CB . 6758 1 136 . 1 1 49 49 ASP N N 15 114.89 0.14 . 1 . . . . 38 ASP N . 6758 1 137 . 1 1 50 50 ILE H H 1 8.51 0.015 . 1 . . . . 39 ILE H . 6758 1 138 . 1 1 50 50 ILE C C 13 177.17 0.08 . 1 . . . . 39 ILE C . 6758 1 139 . 1 1 50 50 ILE CA C 13 62.66 0.31 . 1 . . . . 39 ILE CA . 6758 1 140 . 1 1 50 50 ILE CB C 13 37.62 0.31 . 1 . . . . 39 ILE CB . 6758 1 141 . 1 1 50 50 ILE N N 15 117.75 0.14 . 1 . . . . 39 ILE N . 6758 1 142 . 1 1 51 51 LEU H H 1 7.43 0.015 . 1 . . . . 40 LEU H . 6758 1 143 . 1 1 51 51 LEU C C 13 175.492 0.08 . 1 . . . . 40 LEU C . 6758 1 144 . 1 1 51 51 LEU CA C 13 58.24 0.31 . 1 . . . . 40 LEU CA . 6758 1 145 . 1 1 51 51 LEU CB C 13 38.52 0.31 . 1 . . . . 40 LEU CB . 6758 1 146 . 1 1 51 51 LEU N N 15 117.3 0.14 . 1 . . . . 40 LEU N . 6758 1 147 . 1 1 52 52 ALA H H 1 7.88 0.015 . 1 . . . . 41 ALA H . 6758 1 148 . 1 1 52 52 ALA CA C 13 52.57 0.31 . 1 . . . . 41 ALA CA . 6758 1 149 . 1 1 52 52 ALA CB C 13 19.33 0.31 . 1 . . . . 41 ALA CB . 6758 1 150 . 1 1 52 52 ALA N N 15 125.41 0.14 . 1 . . . . 41 ALA N . 6758 1 151 . 1 1 53 53 VAL H H 1 7.95 0.015 . 1 . . . . 42 VAL H . 6758 1 152 . 1 1 53 53 VAL CA C 13 61.08 0.31 . 1 . . . . 42 VAL CA . 6758 1 153 . 1 1 53 53 VAL CB C 13 32.13 0.31 . 1 . . . . 42 VAL CB . 6758 1 154 . 1 1 53 53 VAL N N 15 116.02 0.14 . 1 . . . . 42 VAL N . 6758 1 155 . 1 1 54 54 GLN CA C 13 58.6 0.31 . 1 . . . . 43 GLN CA . 6758 1 156 . 1 1 54 54 GLN CB C 13 30.19 0.31 . 1 . . . . 43 GLN CB . 6758 1 157 . 1 1 55 55 GLU H H 1 7.5 0.015 . 1 . . . . 44 GLU H . 6758 1 158 . 1 1 55 55 GLU C C 13 175.944 0.08 . 1 . . . . 44 GLU C . 6758 1 159 . 1 1 55 55 GLU CA C 13 57.22 0.31 . 1 . . . . 44 GLU CA . 6758 1 160 . 1 1 55 55 GLU CB C 13 30.19 0.31 . 1 . . . . 44 GLU CB . 6758 1 161 . 1 1 55 55 GLU N N 15 114.04 0.14 . 1 . . . . 44 GLU N . 6758 1 162 . 1 1 56 56 ALA H H 1 7 0.015 . 1 . . . . 45 ALA H . 6758 1 163 . 1 1 56 56 ALA CA C 13 51.24 0.31 . 1 . . . . 45 ALA CA . 6758 1 164 . 1 1 56 56 ALA CB C 13 21.31 0.31 . 1 . . . . 45 ALA CB . 6758 1 165 . 1 1 56 56 ALA N N 15 124.08 0.14 . 1 . . . . 45 ALA N . 6758 1 166 . 1 1 61 61 SER C C 13 175.328 0.08 . 1 . . . . 50 SER C . 6758 1 167 . 1 1 61 61 SER CA C 13 61.34 0.31 . 1 . . . . 50 SER CA . 6758 1 168 . 1 1 61 61 SER CB C 13 62.31 0.31 . 1 . . . . 50 SER CB . 6758 1 169 . 1 1 62 62 THR H H 1 7.14 0.015 . 1 . . . . 51 THR H . 6758 1 170 . 1 1 62 62 THR C C 13 175.485 0.08 . 1 . . . . 51 THR C . 6758 1 171 . 1 1 62 62 THR CA C 13 61.34 0.31 . 1 . . . . 51 THR CA . 6758 1 172 . 1 1 62 62 THR CB C 13 68.85 0.31 . 1 . . . . 51 THR CB . 6758 1 173 . 1 1 62 62 THR N N 15 107.82 0.14 . 1 . . . . 51 THR N . 6758 1 174 . 1 1 63 63 ALA H H 1 7.11 0.015 . 1 . . . . 52 ALA H . 6758 1 175 . 1 1 63 63 ALA C C 13 176.187 0.08 . 1 . . . . 52 ALA C . 6758 1 176 . 1 1 63 63 ALA CA C 13 51.9 0.31 . 1 . . . . 52 ALA CA . 6758 1 177 . 1 1 63 63 ALA CB C 13 19.1 0.31 . 1 . . . . 52 ALA CB . 6758 1 178 . 1 1 63 63 ALA N N 15 126.35 0.14 . 1 . . . . 52 ALA N . 6758 1 179 . 1 1 64 64 VAL H H 1 8.38 0.015 . 1 . . . . 53 VAL H . 6758 1 180 . 1 1 64 64 VAL C C 13 175.167 0.08 . 1 . . . . 53 VAL C . 6758 1 181 . 1 1 64 64 VAL CA C 13 60.82 0.31 . 1 . . . . 53 VAL CA . 6758 1 182 . 1 1 64 64 VAL CB C 13 34.81 0.31 . 1 . . . . 53 VAL CB . 6758 1 183 . 1 1 64 64 VAL N N 15 121.26 0.14 . 1 . . . . 53 VAL N . 6758 1 184 . 1 1 65 65 ASP H H 1 8.47 0.015 . 1 . . . . 54 ASP H . 6758 1 185 . 1 1 65 65 ASP C C 13 177.998 0.08 . 1 . . . . 54 ASP C . 6758 1 186 . 1 1 65 65 ASP CA C 13 54.7 0.31 . 1 . . . . 54 ASP CA . 6758 1 187 . 1 1 65 65 ASP CB C 13 41.82 0.31 . 1 . . . . 54 ASP CB . 6758 1 188 . 1 1 65 65 ASP N N 15 128.18 0.14 . 1 . . . . 54 ASP N . 6758 1 189 . 1 1 66 66 THR H H 1 8.95 0.015 . 1 . . . . 55 THR H . 6758 1 190 . 1 1 66 66 THR C C 13 177.662 0.08 . 1 . . . . 55 THR C . 6758 1 191 . 1 1 66 66 THR CA C 13 62.83 0.31 . 1 . . . . 55 THR CA . 6758 1 192 . 1 1 66 66 THR CB C 13 69.79 0.31 . 1 . . . . 55 THR CB . 6758 1 193 . 1 1 66 66 THR N N 15 118.71 0.14 . 1 . . . . 55 THR N . 6758 1 194 . 1 1 67 67 GLY H H 1 9.57 0.015 . 1 . . . . 56 GLY H . 6758 1 195 . 1 1 67 67 GLY C C 13 174.268 0.08 . 1 . . . . 56 GLY C . 6758 1 196 . 1 1 67 67 GLY CA C 13 44.94 0.31 . 1 . . . . 56 GLY CA . 6758 1 197 . 1 1 67 67 GLY N N 15 112.49 0.14 . 1 . . . . 56 GLY N . 6758 1 198 . 1 1 68 68 ARG H H 1 7.77 0.015 . 1 . . . . 57 ARG H . 6758 1 199 . 1 1 68 68 ARG C C 13 176 0.08 . 1 . . . . 57 ARG C . 6758 1 200 . 1 1 68 68 ARG CA C 13 57.69 0.31 . 1 . . . . 57 ARG CA . 6758 1 201 . 1 1 68 68 ARG CB C 13 31.52 0.31 . 1 . . . . 57 ARG CB . 6758 1 202 . 1 1 68 68 ARG N N 15 123.8 0.14 . 1 . . . . 57 ARG N . 6758 1 203 . 1 1 69 69 VAL H H 1 8.74 0.015 . 1 . . . . 58 VAL H . 6758 1 204 . 1 1 69 69 VAL C C 13 175.952 0.08 . 1 . . . . 58 VAL C . 6758 1 205 . 1 1 69 69 VAL CA C 13 63.11 0.31 . 1 . . . . 58 VAL CA . 6758 1 206 . 1 1 69 69 VAL CB C 13 31.55 0.31 . 1 . . . . 58 VAL CB . 6758 1 207 . 1 1 69 69 VAL N N 15 130.45 0.14 . 1 . . . . 58 VAL N . 6758 1 208 . 1 1 70 70 ILE H H 1 8.7 0.015 . 1 . . . . 59 ILE H . 6758 1 209 . 1 1 70 70 ILE CA C 13 58.13 0.31 . 1 . . . . 59 ILE CA . 6758 1 210 . 1 1 70 70 ILE CB C 13 39.82 0.31 . 1 . . . . 59 ILE CB . 6758 1 211 . 1 1 71 71 PRO C C 13 176.104 0.08 . 5 . . . . 60 PRO C . 6758 1 212 . 1 1 71 71 PRO CA C 13 63.06 0.31 . 5 . . . . 60 PRO CA . 6758 1 213 . 1 1 71 71 PRO CB C 13 31.39 0.31 . 5 . . . . 60 PRO CB . 6758 1 214 . 1 1 72 72 SER H H 1 8.1 0.015 . 5 . . . . 61 SER H . 6758 1 215 . 1 1 72 72 SER CA C 13 55.29 0.31 . 5 . . . . 61 SER CA . 6758 1 216 . 1 1 72 72 SER CB C 13 64.17 0.31 . 5 . . . . 61 SER CB . 6758 1 217 . 1 1 72 72 SER N N 15 117.86 0.14 . 5 . . . . 61 SER N . 6758 1 218 . 1 1 73 73 PRO C C 13 176.896 0.08 . 1 . . . . 62 PRO C . 6758 1 219 . 1 1 73 73 PRO CA C 13 62.41 0.31 . 1 . . . . 62 PRO CA . 6758 1 220 . 1 1 73 73 PRO CB C 13 28.49 0.31 . 1 . . . . 62 PRO CB . 6758 1 221 . 1 1 74 74 GLY H H 1 8.13 0.015 . 1 . . . . 63 GLY H . 6758 1 222 . 1 1 74 74 GLY C C 13 173.693 0.08 . 1 . . . . 63 GLY C . 6758 1 223 . 1 1 74 74 GLY CA C 13 46.16 0.31 . 1 . . . . 63 GLY CA . 6758 1 224 . 1 1 74 74 GLY N N 15 110.09 0.14 . 1 . . . . 63 GLY N . 6758 1 225 . 1 1 75 75 ILE H H 1 6.79 0.015 . 1 . . . . 64 ILE H . 6758 1 226 . 1 1 75 75 ILE CA C 13 57.97 0.31 . 1 . . . . 64 ILE CA . 6758 1 227 . 1 1 75 75 ILE CB C 13 40.07 0.31 . 1 . . . . 64 ILE CB . 6758 1 228 . 1 1 75 75 ILE N N 15 119.56 0.14 . 1 . . . . 64 ILE N . 6758 1 229 . 1 1 77 77 VAL C C 13 174.008 0.08 . 9 . . . . 66 VAL C . 6758 1 230 . 1 1 77 77 VAL CA C 13 60.7 0.31 . 9 . . . . 66 VAL CA . 6758 1 231 . 1 1 77 77 VAL CB C 13 34.41 0.31 . 9 . . . . 66 VAL CB . 6758 1 232 . 1 1 78 78 ARG H H 1 8.32 0.015 . 1 . . . . 67 ARG H . 6758 1 233 . 1 1 78 78 ARG C C 13 174.389 0.08 . 1 . . . . 67 ARG C . 6758 1 234 . 1 1 78 78 ARG CA C 13 53.45 0.31 . 1 . . . . 67 ARG CA . 6758 1 235 . 1 1 78 78 ARG CB C 13 33.84 0.31 . 1 . . . . 67 ARG CB . 6758 1 236 . 1 1 78 78 ARG N N 15 124.51 0.14 . 1 . . . . 67 ARG N . 6758 1 237 . 1 1 79 79 GLU H H 1 9.23 0.015 . 1 . . . . 68 GLU H . 6758 1 238 . 1 1 79 79 GLU C C 13 173.394 0.08 . 1 . . . . 68 GLU C . 6758 1 239 . 1 1 79 79 GLU CA C 13 54.74 0.31 . 1 . . . . 68 GLU CA . 6758 1 240 . 1 1 79 79 GLU CB C 13 32.92 0.31 . 1 . . . . 68 GLU CB . 6758 1 241 . 1 1 79 79 GLU N N 15 123.94 0.14 . 1 . . . . 68 GLU N . 6758 1 242 . 1 1 80 80 LEU H H 1 9.28 0.015 . 1 . . . . 69 LEU H . 6758 1 243 . 1 1 80 80 LEU C C 13 175.748 0.08 . 1 . . . . 69 LEU C . 6758 1 244 . 1 1 80 80 LEU CA C 13 52.93 0.31 . 1 . . . . 69 LEU CA . 6758 1 245 . 1 1 80 80 LEU CB C 13 45.07 0.31 . 1 . . . . 69 LEU CB . 6758 1 246 . 1 1 80 80 LEU N N 15 125.748 0.14 . 1 . . . . 69 LEU N . 6758 1 247 . 1 1 81 81 ILE H H 1 8.92 0.015 . 1 . . . . 70 ILE H . 6758 1 248 . 1 1 81 81 ILE C C 13 174.584 0.08 . 1 . . . . 70 ILE C . 6758 1 249 . 1 1 81 81 ILE CA C 13 59.65 0.31 . 1 . . . . 70 ILE CA . 6758 1 250 . 1 1 81 81 ILE CB C 13 40.55 0.31 . 1 . . . . 70 ILE CB . 6758 1 251 . 1 1 81 81 ILE N N 15 120.27 0.14 . 1 . . . . 70 ILE N . 6758 1 252 . 1 1 82 82 TRP H H 1 9.05 0.015 . 1 . . . . 71 TRP H . 6758 1 253 . 1 1 82 82 TRP C C 13 173.611 0.08 . 1 . . . . 71 TRP C . 6758 1 254 . 1 1 82 82 TRP CA C 13 52.99 0.31 . 1 . . . . 71 TRP CA . 6758 1 255 . 1 1 82 82 TRP CB C 13 32.31 0.31 . 1 . . . . 71 TRP CB . 6758 1 256 . 1 1 82 82 TRP N N 15 131.58 0.14 . 1 . . . . 71 TRP N . 6758 1 257 . 1 1 83 83 ASN H H 1 8.6 0.015 . 1 . . . . 72 ASN H . 6758 1 258 . 1 1 83 83 ASN C C 13 174.306 0.08 . 1 . . . . 72 ASN C . 6758 1 259 . 1 1 83 83 ASN CA C 13 53.93 0.31 . 1 . . . . 72 ASN CA . 6758 1 260 . 1 1 83 83 ASN CB C 13 38.95 0.31 . 1 . . . . 72 ASN CB . 6758 1 261 . 1 1 83 83 ASN N N 15 127.05 0.14 . 1 . . . . 72 ASN N . 6758 1 262 . 1 1 84 84 LEU H H 1 8.21 0.015 . 1 . . . . 73 LEU H . 6758 1 263 . 1 1 84 84 LEU C C 13 176.619 0.08 . 1 . . . . 73 LEU C . 6758 1 264 . 1 1 84 84 LEU CA C 13 55.15 0.31 . 1 . . . . 73 LEU CA . 6758 1 265 . 1 1 84 84 LEU CB C 13 41.18 0.31 . 1 . . . . 73 LEU CB . 6758 1 266 . 1 1 84 84 LEU N N 15 126.63 0.14 . 1 . . . . 73 LEU N . 6758 1 267 . 1 1 85 85 SER H H 1 7.68 0.015 . 1 . . . . 74 SER H . 6758 1 268 . 1 1 85 85 SER C C 13 174.355 0.08 . 1 . . . . 74 SER C . 6758 1 269 . 1 1 85 85 SER CA C 13 58.44 0.31 . 1 . . . . 74 SER CA . 6758 1 270 . 1 1 85 85 SER CB C 13 64.06 0.31 . 1 . . . . 74 SER CB . 6758 1 271 . 1 1 85 85 SER N N 15 113.48 0.14 . 1 . . . . 74 SER N . 6758 1 272 . 1 1 86 86 THR H H 1 8.1 0.015 . 1 . . . . 75 THR H . 6758 1 273 . 1 1 86 86 THR C C 13 175.602 0.08 . 1 . . . . 75 THR C . 6758 1 274 . 1 1 86 86 THR CA C 13 63.05 0.31 . 1 . . . . 75 THR CA . 6758 1 275 . 1 1 86 86 THR CB C 13 69.13 0.31 . 1 . . . . 75 THR CB . 6758 1 276 . 1 1 86 86 THR N N 15 113.34 0.14 . 1 . . . . 75 THR N . 6758 1 277 . 1 1 87 87 ASN H H 1 7.8 0.015 . 1 . . . . 76 ASN H . 6758 1 278 . 1 1 88 88 SER CA C 13 59.58 0.31 . 5 . . . . 77 SER CA . 6758 1 279 . 1 1 88 88 SER CB C 13 63.29 0.31 . 5 . . . . 77 SER CB . 6758 1 280 . 1 1 89 89 ARG H H 1 7.72 0.015 . 5 . . . . 78 ARG H . 6758 1 281 . 1 1 89 89 ARG CA C 13 53.59 0.31 . 5 . . . . 78 ARG CA . 6758 1 282 . 1 1 89 89 ARG CB C 13 30.36 0.31 . 5 . . . . 78 ARG CB . 6758 1 283 . 1 1 89 89 ARG N N 15 123.66 0.14 . 5 . . . . 78 ARG N . 6758 1 284 . 1 1 90 90 PRO C C 13 176.624 0.08 . 9 . . . . 79 PRO C . 6758 1 285 . 1 1 91 91 GLN H H 1 8.11 0.015 . 1 . . . . 80 GLN H . 6758 1 286 . 1 1 91 91 GLN C C 13 173.618 0.08 . 1 . . . . 80 GLN C . 6758 1 287 . 1 1 91 91 GLN CA C 13 55.61 0.31 . 1 . . . . 80 GLN CA . 6758 1 288 . 1 1 91 91 GLN CB C 13 30.46 0.31 . 1 . . . . 80 GLN CB . 6758 1 289 . 1 1 91 91 GLN N N 15 123.94 0.14 . 1 . . . . 80 GLN N . 6758 1 290 . 1 1 92 92 GLN H H 1 8.48 0.015 . 1 . . . . 81 GLN H . 6758 1 291 . 1 1 92 92 GLN C C 13 174.535 0.08 . 1 . . . . 81 GLN C . 6758 1 292 . 1 1 92 92 GLN CA C 13 55.27 0.31 . 1 . . . . 81 GLN CA . 6758 1 293 . 1 1 92 92 GLN CB C 13 30.5 0.31 . 1 . . . . 81 GLN CB . 6758 1 294 . 1 1 92 92 GLN N N 15 123.94 0.14 . 1 . . . . 81 GLN N . 6758 1 295 . 1 1 95 95 ILE C C 13 175.729 0.08 . 9 . . . . 84 ILE C . 6758 1 296 . 1 1 95 95 ILE CA C 13 61.57 0.31 . 9 . . . . 84 ILE CA . 6758 1 297 . 1 1 95 95 ILE CB C 13 38.06 0.31 . 9 . . . . 84 ILE CB . 6758 1 298 . 1 1 96 96 TYR H H 1 9.16 0.015 . 9 . . . . 85 TYR H . 6758 1 299 . 1 1 96 96 TYR CA C 13 60 0.31 . 9 . . . . 85 TYR CA . 6758 1 300 . 1 1 96 96 TYR CB C 13 38.04 0.31 . 9 . . . . 85 TYR CB . 6758 1 301 . 1 1 96 96 TYR N N 15 132.24 0.14 . 9 . . . . 85 TYR N . 6758 1 302 . 1 1 99 99 ALA C C 13 178.719 0.08 . 9 . . . . 88 ALA C . 6758 1 303 . 1 1 99 99 ALA CA C 13 52.66 0.31 . 9 . . . . 88 ALA CA . 6758 1 304 . 1 1 99 99 ALA CB C 13 19.48 0.31 . 9 . . . . 88 ALA CB . 6758 1 305 . 1 1 100 100 VAL H H 1 8.02 0.015 . 1 . . . . 89 VAL H . 6758 1 306 . 1 1 100 100 VAL C C 13 174.536 0.08 . 1 . . . . 89 VAL C . 6758 1 307 . 1 1 100 100 VAL CA C 13 60.77 0.31 . 1 . . . . 89 VAL CA . 6758 1 308 . 1 1 100 100 VAL CB C 13 32.12 0.31 . 1 . . . . 89 VAL CB . 6758 1 309 . 1 1 100 100 VAL N N 15 116.17 0.14 . 1 . . . . 89 VAL N . 6758 1 310 . 1 1 101 101 ASP H H 1 8.88 0.015 . 1 . . . . 90 ASP H . 6758 1 311 . 1 1 101 101 ASP CA C 13 57.35 0.31 . 1 . . . . 90 ASP CA . 6758 1 312 . 1 1 101 101 ASP CB C 13 44.05 0.31 . 1 . . . . 90 ASP CB . 6758 1 313 . 1 1 101 101 ASP N N 15 121.96 0.14 . 1 . . . . 90 ASP N . 6758 1 314 . 1 1 102 102 ALA C C 13 178.314 0.08 . 1 . . . . 91 ALA C . 6758 1 315 . 1 1 102 102 ALA CA C 13 54.32 0.31 . 1 . . . . 91 ALA CA . 6758 1 316 . 1 1 102 102 ALA CB C 13 18.73 0.31 . 1 . . . . 91 ALA CB . 6758 1 317 . 1 1 103 103 LEU H H 1 8.19 0.015 . 1 . . . . 92 LEU H . 6758 1 318 . 1 1 103 103 LEU C C 13 177.985 0.08 . 1 . . . . 92 LEU C . 6758 1 319 . 1 1 103 103 LEU CA C 13 54.42 0.31 . 1 . . . . 92 LEU CA . 6758 1 320 . 1 1 103 103 LEU CB C 13 41.9 0.31 . 1 . . . . 92 LEU CB . 6758 1 321 . 1 1 103 103 LEU N N 15 118.29 0.14 . 1 . . . . 92 LEU N . 6758 1 322 . 1 1 104 104 GLY H H 1 7.82 0.015 . 1 . . . . 93 GLY H . 6758 1 323 . 1 1 104 104 GLY C C 13 174.787 0.08 . 1 . . . . 93 GLY C . 6758 1 324 . 1 1 104 104 GLY CA C 13 45.38 0.31 . 1 . . . . 93 GLY CA . 6758 1 325 . 1 1 104 104 GLY N N 15 108.95 0.14 . 1 . . . . 93 GLY N . 6758 1 326 . 1 1 105 105 GLY H H 1 7.87 0.015 . 1 . . . . 94 GLY H . 6758 1 327 . 1 1 105 105 GLY C C 13 174.253 0.08 . 1 . . . . 94 GLY C . 6758 1 328 . 1 1 105 105 GLY CA C 13 45 0.31 . 1 . . . . 94 GLY CA . 6758 1 329 . 1 1 105 105 GLY N N 15 107.54 0.14 . 1 . . . . 94 GLY N . 6758 1 330 . 1 1 106 106 ARG C C 13 175.99 0.08 . 1 . . . . 95 ARG C . 6758 1 331 . 1 1 106 106 ARG CA C 13 57.65 0.31 . 1 . . . . 95 ARG CA . 6758 1 332 . 1 1 106 106 ARG CB C 13 31.64 0.31 . 1 . . . . 95 ARG CB . 6758 1 333 . 1 1 106 106 ARG N N 15 123.8 0.14 . 1 . . . . 95 ARG N . 6758 1 334 . 1 1 107 107 VAL H H 1 8.58 0.015 . 1 . . . . 96 VAL H . 6758 1 335 . 1 1 107 107 VAL N N 15 129.88 0.14 . 1 . . . . 96 VAL N . 6758 1 336 . 1 1 108 108 ASN C C 13 173.529 0.08 . 9 . . . . 97 ASN C . 6758 1 337 . 1 1 109 109 LEU H H 1 9.3 0.015 . 9 . . . . 98 LEU H . 6758 1 338 . 1 1 109 109 LEU C C 13 175.193 0.08 . 9 . . . . 98 LEU C . 6758 1 339 . 1 1 109 109 LEU CA C 13 52.41 0.31 . 9 . . . . 98 LEU CA . 6758 1 340 . 1 1 109 109 LEU CB C 13 46.07 0.31 . 9 . . . . 98 LEU CB . 6758 1 341 . 1 1 109 109 LEU N N 15 127.19 0.14 . 9 . . . . 98 LEU N . 6758 1 342 . 1 1 110 110 ALA H H 1 8.11 0.015 . 1 . . . . 99 ALA H . 6758 1 343 . 1 1 110 110 ALA C C 13 175.721 0.08 . 1 . . . . 99 ALA C . 6758 1 344 . 1 1 110 110 ALA CA C 13 50.74 0.31 . 1 . . . . 99 ALA CA . 6758 1 345 . 1 1 110 110 ALA CB C 13 23.43 0.31 . 1 . . . . 99 ALA CB . 6758 1 346 . 1 1 110 110 ALA N N 15 117.86 0.14 . 1 . . . . 99 ALA N . 6758 1 347 . 1 1 111 111 LEU H H 1 8.89 0.015 . 1 . . . . 100 LEU H . 6758 1 348 . 1 1 111 111 LEU C C 13 174.944 0.08 . 1 . . . . 100 LEU C . 6758 1 349 . 1 1 111 111 LEU CA C 13 54.78 0.31 . 1 . . . . 100 LEU CA . 6758 1 350 . 1 1 111 111 LEU CB C 13 47.39 0.31 . 1 . . . . 100 LEU CB . 6758 1 351 . 1 1 111 111 LEU N N 15 121.11 0.14 . 1 . . . . 100 LEU N . 6758 1 352 . 1 1 112 112 VAL H H 1 9.53 0.015 . 1 . . . . 101 VAL H . 6758 1 353 . 1 1 112 112 VAL C C 13 174.916 0.08 . 1 . . . . 101 VAL C . 6758 1 354 . 1 1 112 112 VAL CA C 13 60.61 0.31 . 1 . . . . 101 VAL CA . 6758 1 355 . 1 1 112 112 VAL CB C 13 33.3 0.31 . 1 . . . . 101 VAL CB . 6758 1 356 . 1 1 112 112 VAL N N 15 125.07 0.14 . 1 . . . . 101 VAL N . 6758 1 357 . 1 1 113 113 SER H H 1 9.68 0.015 . 1 . . . . 102 SER H . 6758 1 358 . 1 1 113 113 SER C C 13 175.013 0.08 . 1 . . . . 102 SER C . 6758 1 359 . 1 1 113 113 SER CA C 13 55.9 0.31 . 1 . . . . 102 SER CA . 6758 1 360 . 1 1 113 113 SER CB C 13 66.19 0.31 . 1 . . . . 102 SER CB . 6758 1 361 . 1 1 113 113 SER N N 15 119.84 0.14 . 1 . . . . 102 SER N . 6758 1 362 . 1 1 114 114 ASN H H 1 8.56 0.015 . 1 . . . . 103 ASN H . 6758 1 363 . 1 1 114 114 ASN C C 13 174.627 0.08 . 1 . . . . 103 ASN C . 6758 1 364 . 1 1 114 114 ASN CA C 13 53.79 0.31 . 1 . . . . 103 ASN CA . 6758 1 365 . 1 1 114 114 ASN CB C 13 37.05 0.31 . 1 . . . . 103 ASN CB . 6758 1 366 . 1 1 114 114 ASN N N 15 125.36 0.14 . 1 . . . . 103 ASN N . 6758 1 367 . 1 1 115 115 ARG H H 1 8.02 0.015 . 1 . . . . 104 ARG H . 6758 1 368 . 1 1 115 115 ARG C C 13 174.792 0.08 . 1 . . . . 104 ARG C . 6758 1 369 . 1 1 115 115 ARG CA C 13 54.43 0.31 . 1 . . . . 104 ARG CA . 6758 1 370 . 1 1 115 115 ARG CB C 13 33.4 0.31 . 1 . . . . 104 ARG CB . 6758 1 371 . 1 1 115 115 ARG N N 15 119.13 0.14 . 1 . . . . 104 ARG N . 6758 1 372 . 1 1 116 116 ARG H H 1 8.43 0.015 . 1 . . . . 105 ARG H . 6758 1 373 . 1 1 116 116 ARG C C 13 175.886 0.08 . 1 . . . . 105 ARG C . 6758 1 374 . 1 1 116 116 ARG CA C 13 56.62 0.31 . 1 . . . . 105 ARG CA . 6758 1 375 . 1 1 116 116 ARG CB C 13 29.84 0.31 . 1 . . . . 105 ARG CB . 6758 1 376 . 1 1 116 116 ARG N N 15 125.92 0.14 . 1 . . . . 105 ARG N . 6758 1 377 . 1 1 117 117 ALA H H 1 8.15 0.015 . 1 . . . . 106 ALA H . 6758 1 378 . 1 1 117 117 ALA C C 13 178.993 0.08 . 1 . . . . 106 ALA C . 6758 1 379 . 1 1 117 117 ALA CA C 13 52.36 0.31 . 1 . . . . 106 ALA CA . 6758 1 380 . 1 1 117 117 ALA CB C 13 20.27 0.31 . 1 . . . . 106 ALA CB . 6758 1 381 . 1 1 117 117 ALA N N 15 127.48 0.14 . 1 . . . . 106 ALA N . 6758 1 382 . 1 1 118 118 ASP H H 1 8.89 0.015 . 1 . . . . 107 ASP H . 6758 1 383 . 1 1 118 118 ASP C C 13 176.806 0.08 . 1 . . . . 107 ASP C . 6758 1 384 . 1 1 118 118 ASP CA C 13 57.86 0.31 . 1 . . . . 107 ASP CA . 6758 1 385 . 1 1 118 118 ASP CB C 13 41.41 0.31 . 1 . . . . 107 ASP CB . 6758 1 386 . 1 1 118 118 ASP N N 15 126.06 0.14 . 1 . . . . 107 ASP N . 6758 1 387 . 1 1 119 119 GLU H H 1 7.24 0.015 . 1 . . . . 108 GLU H . 6758 1 388 . 1 1 119 119 GLU C C 13 172.439 0.08 . 1 . . . . 108 GLU C . 6758 1 389 . 1 1 119 119 GLU CA C 13 55.03 0.31 . 1 . . . . 108 GLU CA . 6758 1 390 . 1 1 119 119 GLU CB C 13 34.5 0.31 . 1 . . . . 108 GLU CB . 6758 1 391 . 1 1 119 119 GLU N N 15 114.75 0.14 . 1 . . . . 108 GLU N . 6758 1 392 . 1 1 120 120 VAL H H 1 8.23 0.015 . 1 . . . . 109 VAL H . 6758 1 393 . 1 1 120 120 VAL C C 13 173.609 0.08 . 1 . . . . 109 VAL C . 6758 1 394 . 1 1 120 120 VAL CA C 13 60.99 0.31 . 1 . . . . 109 VAL CA . 6758 1 395 . 1 1 120 120 VAL CB C 13 33.35 0.31 . 1 . . . . 109 VAL CB . 6758 1 396 . 1 1 120 120 VAL N N 15 124.37 0.14 . 1 . . . . 109 VAL N . 6758 1 397 . 1 1 121 121 PHE H H 1 8.8 0.015 . 1 . . . . 110 PHE H . 6758 1 398 . 1 1 121 121 PHE C C 13 174.214 0.08 . 1 . . . . 110 PHE C . 6758 1 399 . 1 1 121 121 PHE CA C 13 54.37 0.31 . 1 . . . . 110 PHE CA . 6758 1 400 . 1 1 121 121 PHE CB C 13 42.28 0.31 . 1 . . . . 110 PHE CB . 6758 1 401 . 1 1 121 121 PHE N N 15 126.77 0.14 . 1 . . . . 110 PHE N . 6758 1 402 . 1 1 122 122 VAL H H 1 8.26 0.015 . 1 . . . . 111 VAL H . 6758 1 403 . 1 1 122 122 VAL C C 13 174.088 0.08 . 1 . . . . 111 VAL C . 6758 1 404 . 1 1 122 122 VAL CA C 13 61.43 0.31 . 1 . . . . 111 VAL CA . 6758 1 405 . 1 1 122 122 VAL CB C 13 33.63 0.31 . 1 . . . . 111 VAL CB . 6758 1 406 . 1 1 122 122 VAL N N 15 122.67 0.14 . 1 . . . . 111 VAL N . 6758 1 407 . 1 1 123 123 LEU H H 1 8.56 0.015 . 1 . . . . 112 LEU H . 6758 1 408 . 1 1 123 123 LEU C C 13 176.032 0.08 . 1 . . . . 112 LEU C . 6758 1 409 . 1 1 123 123 LEU CA C 13 52.6 0.31 . 1 . . . . 112 LEU CA . 6758 1 410 . 1 1 123 123 LEU CB C 13 42.47 0.31 . 1 . . . . 112 LEU CB . 6758 1 411 . 1 1 123 123 LEU N N 15 126.83 0.14 . 1 . . . . 112 LEU N . 6758 1 412 . 1 1 124 124 SER H H 1 8.1 0.015 . 1 . . . . 113 SER H . 6758 1 413 . 1 1 124 124 SER CA C 13 58.63 0.31 . 1 . . . . 113 SER CA . 6758 1 414 . 1 1 124 124 SER CB C 13 62.35 0.31 . 1 . . . . 113 SER CB . 6758 1 415 . 1 1 124 124 SER N N 15 116.73 0.14 . 1 . . . . 113 SER N . 6758 1 416 . 1 1 125 125 PRO C C 13 177.537 0.08 . 1 . . . . 114 PRO C . 6758 1 417 . 1 1 126 126 VAL H H 1 8.51 0.015 . 1 . . . . 115 VAL H . 6758 1 418 . 1 1 126 126 VAL C C 13 175.345 0.08 . 1 . . . . 115 VAL C . 6758 1 419 . 1 1 126 126 VAL CA C 13 61.14 0.31 . 1 . . . . 115 VAL CA . 6758 1 420 . 1 1 126 126 VAL CB C 13 31.58 0.31 . 1 . . . . 115 VAL CB . 6758 1 421 . 1 1 126 126 VAL N N 15 115.46 0.14 . 1 . . . . 115 VAL N . 6758 1 422 . 1 1 127 127 ARG H H 1 7.11 0.015 . 1 . . . . 116 ARG H . 6758 1 423 . 1 1 127 127 ARG C C 13 174.996 0.08 . 1 . . . . 116 ARG C . 6758 1 424 . 1 1 127 127 ARG CA C 13 53.93 0.31 . 1 . . . . 116 ARG CA . 6758 1 425 . 1 1 127 127 ARG CB C 13 33.57 0.31 . 1 . . . . 116 ARG CB . 6758 1 426 . 1 1 127 127 ARG N N 15 118.85 0.14 . 1 . . . . 116 ARG N . 6758 1 427 . 1 1 128 128 GLN H H 1 8.6 0.015 . 1 . . . . 117 GLN H . 6758 1 428 . 1 1 128 128 GLN CA C 13 57.88 0.31 . 1 . . . . 117 GLN CA . 6758 1 429 . 1 1 128 128 GLN CB C 13 27.91 0.31 . 1 . . . . 117 GLN CB . 6758 1 430 . 1 1 128 128 GLN N N 15 125.36 0.14 . 1 . . . . 117 GLN N . 6758 1 431 . 1 1 129 129 GLY H H 1 8.63 0.015 . 1 . . . . 118 GLY H . 6758 1 432 . 1 1 129 129 GLY C C 13 174.664 0.08 . 1 . . . . 118 GLY C . 6758 1 433 . 1 1 129 129 GLY CA C 13 45.16 0.31 . 1 . . . . 118 GLY CA . 6758 1 434 . 1 1 129 129 GLY N N 15 116.45 0.14 . 1 . . . . 118 GLY N . 6758 1 435 . 1 1 130 130 GLY H H 1 8.13 0.015 . 1 . . . . 119 GLY H . 6758 1 436 . 1 1 130 130 GLY C C 13 173.043 0.08 . 1 . . . . 119 GLY C . 6758 1 437 . 1 1 130 130 GLY CA C 13 43.9 0.31 . 1 . . . . 119 GLY CA . 6758 1 438 . 1 1 130 130 GLY N N 15 108.53 0.14 . 1 . . . . 119 GLY N . 6758 1 439 . 1 1 131 131 ARG H H 1 9.84 0.015 . 1 . . . . 120 ARG H . 6758 1 440 . 1 1 131 131 ARG CA C 13 54.07 0.31 . 1 . . . . 120 ARG CA . 6758 1 441 . 1 1 131 131 ARG CB C 13 30.73 0.31 . 1 . . . . 120 ARG CB . 6758 1 442 . 1 1 131 131 ARG N N 15 121.54 0.14 . 1 . . . . 120 ARG N . 6758 1 443 . 1 1 132 132 PRO C C 13 173.996 0.08 . 1 . . . . 121 PRO C . 6758 1 444 . 1 1 133 133 LEU H H 1 7.89 0.015 . 1 . . . . 122 LEU H . 6758 1 445 . 1 1 133 133 LEU C C 13 174.867 0.08 . 1 . . . . 122 LEU C . 6758 1 446 . 1 1 133 133 LEU CA C 13 54.38 0.31 . 1 . . . . 122 LEU CA . 6758 1 447 . 1 1 133 133 LEU CB C 13 46 0.31 . 1 . . . . 122 LEU CB . 6758 1 448 . 1 1 133 133 LEU N N 15 115.6 0.14 . 1 . . . . 122 LEU N . 6758 1 449 . 1 1 134 134 LEU H H 1 6.87 0.015 . 1 . . . . 123 LEU H . 6758 1 450 . 1 1 134 134 LEU C C 13 174.343 0.08 . 1 . . . . 123 LEU C . 6758 1 451 . 1 1 134 134 LEU CA C 13 53.15 0.31 . 1 . . . . 123 LEU CA . 6758 1 452 . 1 1 134 134 LEU CB C 13 45.33 0.31 . 1 . . . . 123 LEU CB . 6758 1 453 . 1 1 134 134 LEU N N 15 122.95 0.14 . 1 . . . . 123 LEU N . 6758 1 454 . 1 1 135 135 GLY H H 1 9.4 0.015 . 1 . . . . 124 GLY H . 6758 1 455 . 1 1 135 135 GLY C C 13 171.866 0.08 . 1 . . . . 124 GLY C . 6758 1 456 . 1 1 135 135 GLY CA C 13 45.04 0.31 . 1 . . . . 124 GLY CA . 6758 1 457 . 1 1 135 135 GLY N N 15 114.19 0.14 . 1 . . . . 124 GLY N . 6758 1 458 . 1 1 136 136 ILE H H 1 8.61 0.015 . 1 . . . . 125 ILE H . 6758 1 459 . 1 1 136 136 ILE CA C 13 58.5 0.31 . 1 . . . . 125 ILE CA . 6758 1 460 . 1 1 136 136 ILE CB C 13 42.45 0.31 . 1 . . . . 125 ILE CB . 6758 1 461 . 1 1 136 136 ILE N N 15 111.08 0.14 . 1 . . . . 125 ILE N . 6758 1 462 . 1 1 137 137 ARG H H 1 8.43 0.015 . 1 . . . . 126 ARG H . 6758 1 463 . 1 1 137 137 ARG C C 13 175.26 0.08 . 1 . . . . 126 ARG C . 6758 1 464 . 1 1 137 137 ARG CA C 13 53.79 0.31 . 1 . . . . 126 ARG CA . 6758 1 465 . 1 1 137 137 ARG CB C 13 33.91 0.31 . 1 . . . . 126 ARG CB . 6758 1 466 . 1 1 137 137 ARG N N 15 124.79 0.14 . 1 . . . . 126 ARG N . 6758 1 467 . 1 1 138 138 ILE H H 1 8.97 0.015 . 1 . . . . 127 ILE H . 6758 1 468 . 1 1 138 138 ILE C C 13 176.214 0.08 . 1 . . . . 127 ILE C . 6758 1 469 . 1 1 138 138 ILE CA C 13 60.62 0.31 . 1 . . . . 127 ILE CA . 6758 1 470 . 1 1 138 138 ILE CB C 13 40.08 0.31 . 1 . . . . 127 ILE CB . 6758 1 471 . 1 1 138 138 ILE N N 15 129.32 0.14 . 1 . . . . 127 ILE N . 6758 1 472 . 1 1 139 139 GLY H H 1 9.23 0.015 . 1 . . . . 128 GLY H . 6758 1 473 . 1 1 139 139 GLY C C 13 174.321 0.08 . 1 . . . . 128 GLY C . 6758 1 474 . 1 1 139 139 GLY CA C 13 47.92 0.31 . 1 . . . . 128 GLY CA . 6758 1 475 . 1 1 139 139 GLY N N 15 117.75 0.14 . 1 . . . . 128 GLY N . 6758 1 476 . 1 1 140 140 ASN H H 1 8.72 0.015 . 1 . . . . 129 ASN H . 6758 1 477 . 1 1 140 140 ASN C C 13 172.697 0.08 . 1 . . . . 129 ASN C . 6758 1 478 . 1 1 140 140 ASN CA C 13 53.48 0.31 . 1 . . . . 129 ASN CA . 6758 1 479 . 1 1 140 140 ASN CB C 13 39.3 0.31 . 1 . . . . 129 ASN CB . 6758 1 480 . 1 1 140 140 ASN N N 15 127.62 0.14 . 1 . . . . 129 ASN N . 6758 1 481 . 1 1 141 141 ASP H H 1 7.8 0.015 . 1 . . . . 130 ASP H . 6758 1 482 . 1 1 141 141 ASP C C 13 172.991 0.08 . 1 . . . . 130 ASP C . 6758 1 483 . 1 1 141 141 ASP CA C 13 52.38 0.31 . 1 . . . . 130 ASP CA . 6758 1 484 . 1 1 141 141 ASP CB C 13 44.23 0.31 . 1 . . . . 130 ASP CB . 6758 1 485 . 1 1 141 141 ASP N N 15 118.71 0.14 . 1 . . . . 130 ASP N . 6758 1 486 . 1 1 142 142 ALA H H 1 8.78 0.015 . 1 . . . . 131 ALA H . 6758 1 487 . 1 1 142 142 ALA C C 13 174.965 0.08 . 1 . . . . 131 ALA C . 6758 1 488 . 1 1 142 142 ALA CA C 13 49.97 0.31 . 1 . . . . 131 ALA CA . 6758 1 489 . 1 1 142 142 ALA CB C 13 23.1 0.31 . 1 . . . . 131 ALA CB . 6758 1 490 . 1 1 142 142 ALA N N 15 123.09 0.14 . 1 . . . . 131 ALA N . 6758 1 491 . 1 1 143 143 PHE H H 1 8.67 0.015 . 1 . . . . 132 PHE H . 6758 1 492 . 1 1 143 143 PHE C C 13 174.332 0.08 . 1 . . . . 132 PHE C . 6758 1 493 . 1 1 143 143 PHE CA C 13 56.51 0.31 . 1 . . . . 132 PHE CA . 6758 1 494 . 1 1 143 143 PHE CB C 13 43.01 0.31 . 1 . . . . 132 PHE CB . 6758 1 495 . 1 1 143 143 PHE N N 15 119.28 0.14 . 1 . . . . 132 PHE N . 6758 1 496 . 1 1 144 144 PHE H H 1 9.42 0.015 . 1 . . . . 133 PHE H . 6758 1 497 . 1 1 144 144 PHE CA C 13 55.86 0.31 . 1 . . . . 133 PHE CA . 6758 1 498 . 1 1 144 144 PHE CB C 13 43.38 0.31 . 1 . . . . 133 PHE CB . 6758 1 499 . 1 1 144 144 PHE N N 15 119.56 0.14 . 1 . . . . 133 PHE N . 6758 1 500 . 1 1 145 145 THR H H 1 8.95 0.015 . 1 . . . . 134 THR H . 6758 1 501 . 1 1 145 145 THR C C 13 170.82 0.08 . 1 . . . . 134 THR C . 6758 1 502 . 1 1 145 145 THR CA C 13 57.34 0.31 . 1 . . . . 134 THR CA . 6758 1 503 . 1 1 145 145 THR CB C 13 71.74 0.31 . 1 . . . . 134 THR CB . 6758 1 504 . 1 1 145 145 THR N N 15 115.6 0.14 . 1 . . . . 134 THR N . 6758 1 505 . 1 1 146 146 ALA H H 1 7.79 0.015 . 1 . . . . 135 ALA H . 6758 1 506 . 1 1 146 146 ALA C C 13 175.178 0.08 . 1 . . . . 135 ALA C . 6758 1 507 . 1 1 146 146 ALA CA C 13 50.22 0.31 . 1 . . . . 135 ALA CA . 6758 1 508 . 1 1 146 146 ALA CB C 13 23.86 0.31 . 1 . . . . 135 ALA CB . 6758 1 509 . 1 1 146 146 ALA N N 15 126.63 0.14 . 1 . . . . 135 ALA N . 6758 1 510 . 1 1 147 147 HIS H H 1 8.95 0.015 . 1 . . . . 136 HIS H . 6758 1 511 . 1 1 147 147 HIS C C 13 175.576 0.08 . 1 . . . . 136 HIS C . 6758 1 512 . 1 1 147 147 HIS CA C 13 52.77 0.31 . 1 . . . . 136 HIS CA . 6758 1 513 . 1 1 147 147 HIS CB C 13 34.17 0.31 . 1 . . . . 136 HIS CB . 6758 1 514 . 1 1 147 147 HIS N N 15 120.83 0.14 . 1 . . . . 136 HIS N . 6758 1 515 . 1 1 148 148 ALA H H 1 8.53 0.015 . 1 . . . . 137 ALA H . 6758 1 516 . 1 1 148 148 ALA C C 13 176.578 0.08 . 1 . . . . 137 ALA C . 6758 1 517 . 1 1 148 148 ALA CA C 13 52.29 0.31 . 1 . . . . 137 ALA CA . 6758 1 518 . 1 1 148 148 ALA CB C 13 21 0.31 . 1 . . . . 137 ALA CB . 6758 1 519 . 1 1 148 148 ALA N N 15 131.14 0.14 . 1 . . . . 137 ALA N . 6758 1 520 . 1 1 149 149 ILE H H 1 10.22 0.015 . 1 . . . . 138 ILE H . 6758 1 521 . 1 1 149 149 ILE C C 13 176.956 0.08 . 1 . . . . 138 ILE C . 6758 1 522 . 1 1 149 149 ILE CA C 13 62.65 0.31 . 1 . . . . 138 ILE CA . 6758 1 523 . 1 1 149 149 ILE CB C 13 40.06 0.31 . 1 . . . . 138 ILE CB . 6758 1 524 . 1 1 149 149 ILE N N 15 124.65 0.14 . 1 . . . . 138 ILE N . 6758 1 525 . 1 1 150 150 ALA H H 1 8.35 0.015 . 1 . . . . 139 ALA H . 6758 1 526 . 1 1 150 150 ALA CA C 13 51.67 0.31 . 1 . . . . 139 ALA CA . 6758 1 527 . 1 1 150 150 ALA CB C 13 16.1 0.31 . 1 . . . . 139 ALA CB . 6758 1 528 . 1 1 150 150 ALA N N 15 131.58 0.14 . 1 . . . . 139 ALA N . 6758 1 529 . 1 1 151 151 MET H H 1 7.71 0.015 . 1 . . . . 140 MET H . 6758 1 530 . 1 1 151 151 MET C C 13 174.717 0.08 . 1 . . . . 140 MET C . 6758 1 531 . 1 1 151 151 MET CA C 13 54.76 0.31 . 1 . . . . 140 MET CA . 6758 1 532 . 1 1 151 151 MET CB C 13 35.05 0.31 . 1 . . . . 140 MET CB . 6758 1 533 . 1 1 151 151 MET N N 15 121.68 0.14 . 1 . . . . 140 MET N . 6758 1 534 . 1 1 152 152 ARG H H 1 8.43 0.015 . 1 . . . . 141 ARG H . 6758 1 535 . 1 1 152 152 ARG CA C 13 57.15 0.31 . 1 . . . . 141 ARG CA . 6758 1 536 . 1 1 152 152 ARG CB C 13 29.95 0.31 . 1 . . . . 141 ARG CB . 6758 1 537 . 1 1 152 152 ARG N N 15 122.81 0.14 . 1 . . . . 141 ARG N . 6758 1 538 . 1 1 153 153 ASN H H 1 8.76 0.015 . 1 . . . . 142 ASN H . 6758 1 539 . 1 1 153 153 ASN C C 13 174.921 0.08 . 1 . . . . 142 ASN C . 6758 1 540 . 1 1 153 153 ASN CA C 13 54.22 0.31 . 1 . . . . 142 ASN CA . 6758 1 541 . 1 1 153 153 ASN CB C 13 36.87 0.31 . 1 . . . . 142 ASN CB . 6758 1 542 . 1 1 153 153 ASN N N 15 121.11 0.14 . 1 . . . . 142 ASN N . 6758 1 543 . 1 1 154 154 ASN H H 1 8.12 0.015 . 1 . . . . 143 ASN H . 6758 1 544 . 1 1 154 154 ASN C C 13 174.38 0.08 . 1 . . . . 143 ASN C . 6758 1 545 . 1 1 154 154 ASN CA C 13 51.85 0.31 . 1 . . . . 143 ASN CA . 6758 1 546 . 1 1 154 154 ASN CB C 13 38.49 0.31 . 1 . . . . 143 ASN CB . 6758 1 547 . 1 1 154 154 ASN N N 15 117.16 0.14 . 1 . . . . 143 ASN N . 6758 1 548 . 1 1 155 155 ASP H H 1 9.83 0.015 . 1 . . . . 144 ASP H . 6758 1 549 . 1 1 155 155 ASP C C 13 176.277 0.08 . 1 . . . . 144 ASP C . 6758 1 550 . 1 1 155 155 ASP CA C 13 53.47 0.31 . 1 . . . . 144 ASP CA . 6758 1 551 . 1 1 155 155 ASP CB C 13 38.52 0.31 . 1 . . . . 144 ASP CB . 6758 1 552 . 1 1 155 155 ASP N N 15 111.15 0.14 . 1 . . . . 144 ASP N . 6758 1 553 . 1 1 156 156 ALA H H 1 7.61 0.015 . 1 . . . . 145 ALA H . 6758 1 554 . 1 1 156 156 ALA CA C 13 57.4 0.31 . 1 . . . . 145 ALA CA . 6758 1 555 . 1 1 156 156 ALA CB C 13 17.41 0.31 . 1 . . . . 145 ALA CB . 6758 1 556 . 1 1 156 156 ALA N N 15 121.68 0.14 . 1 . . . . 145 ALA N . 6758 1 557 . 1 1 157 157 PRO C C 13 178.177 0.08 . 1 . . . . 146 PRO C . 6758 1 558 . 1 1 158 158 ALA H H 1 7.07 0.015 . 1 . . . . 147 ALA H . 6758 1 559 . 1 1 158 158 ALA C C 13 180.56 0.08 . 1 . . . . 147 ALA C . 6758 1 560 . 1 1 158 158 ALA CA C 13 54.46 0.31 . 1 . . . . 147 ALA CA . 6758 1 561 . 1 1 158 158 ALA CB C 13 18.52 0.31 . 1 . . . . 147 ALA CB . 6758 1 562 . 1 1 158 158 ALA N N 15 119.98 0.14 . 1 . . . . 147 ALA N . 6758 1 563 . 1 1 159 159 LEU H H 1 8.42 0.015 . 1 . . . . 148 LEU H . 6758 1 564 . 1 1 159 159 LEU C C 13 177.773 0.08 . 1 . . . . 148 LEU C . 6758 1 565 . 1 1 159 159 LEU CA C 13 57.89 0.31 . 1 . . . . 148 LEU CA . 6758 1 566 . 1 1 159 159 LEU CB C 13 41.46 0.31 . 1 . . . . 148 LEU CB . 6758 1 567 . 1 1 159 159 LEU N N 15 123.24 0.14 . 1 . . . . 148 LEU N . 6758 1 568 . 1 1 160 160 VAL H H 1 7.17 0.015 . 1 . . . . 149 VAL H . 6758 1 569 . 1 1 160 160 VAL C C 13 177.982 0.08 . 1 . . . . 149 VAL C . 6758 1 570 . 1 1 160 160 VAL CA C 13 65.79 0.31 . 1 . . . . 149 VAL CA . 6758 1 571 . 1 1 160 160 VAL CB C 13 30.83 0.31 . 1 . . . . 149 VAL CB . 6758 1 572 . 1 1 160 160 VAL N N 15 117.16 0.14 . 1 . . . . 149 VAL N . 6758 1 573 . 1 1 161 161 GLU H H 1 7.83 0.015 . 1 . . . . 150 GLU H . 6758 1 574 . 1 1 161 161 GLU C C 13 176.882 0.08 . 1 . . . . 150 GLU C . 6758 1 575 . 1 1 161 161 GLU CA C 13 59.42 0.31 . 1 . . . . 150 GLU CA . 6758 1 576 . 1 1 161 161 GLU CB C 13 29.22 0.31 . 1 . . . . 150 GLU CB . 6758 1 577 . 1 1 161 161 GLU N N 15 118.71 0.14 . 1 . . . . 150 GLU N . 6758 1 578 . 1 1 162 162 GLU H H 1 7.14 0.015 . 1 . . . . 151 GLU H . 6758 1 579 . 1 1 162 162 GLU C C 13 178.66 0.08 . 1 . . . . 151 GLU C . 6758 1 580 . 1 1 162 162 GLU CA C 13 59.28 0.31 . 1 . . . . 151 GLU CA . 6758 1 581 . 1 1 162 162 GLU CB C 13 28.05 0.31 . 1 . . . . 151 GLU CB . 6758 1 582 . 1 1 162 162 GLU N N 15 119.84 0.14 . 1 . . . . 151 GLU N . 6758 1 583 . 1 1 163 163 VAL H H 1 6.82 0.015 . 1 . . . . 152 VAL H . 6758 1 584 . 1 1 163 163 VAL C C 13 175.638 0.08 . 1 . . . . 152 VAL C . 6758 1 585 . 1 1 163 163 VAL CA C 13 66.8 0.31 . 1 . . . . 152 VAL CA . 6758 1 586 . 1 1 163 163 VAL CB C 13 30.61 0.31 . 1 . . . . 152 VAL CB . 6758 1 587 . 1 1 163 163 VAL N N 15 121.12 0.14 . 1 . . . . 152 VAL N . 6758 1 588 . 1 1 164 164 TYR H H 1 7.44 0.015 . 1 . . . . 153 TYR H . 6758 1 589 . 1 1 164 164 TYR C C 13 179.235 0.08 . 1 . . . . 153 TYR C . 6758 1 590 . 1 1 164 164 TYR CA C 13 60.77 0.31 . 1 . . . . 153 TYR CA . 6758 1 591 . 1 1 164 164 TYR CB C 13 38.24 0.31 . 1 . . . . 153 TYR CB . 6758 1 592 . 1 1 164 164 TYR N N 15 118.15 0.14 . 1 . . . . 153 TYR N . 6758 1 593 . 1 1 165 165 ASN H H 1 8.77 0.015 . 1 . . . . 154 ASN H . 6758 1 594 . 1 1 165 165 ASN C C 13 175.605 0.08 . 1 . . . . 154 ASN C . 6758 1 595 . 1 1 165 165 ASN CA C 13 55.43 0.31 . 1 . . . . 154 ASN CA . 6758 1 596 . 1 1 165 165 ASN CB C 13 38.06 0.31 . 1 . . . . 154 ASN CB . 6758 1 597 . 1 1 165 165 ASN N N 15 119.56 0.14 . 1 . . . . 154 ASN N . 6758 1 598 . 1 1 166 166 PHE H H 1 7.8 0.015 . 1 . . . . 155 PHE H . 6758 1 599 . 1 1 166 166 PHE C C 13 177.917 0.08 . 1 . . . . 155 PHE C . 6758 1 600 . 1 1 166 166 PHE CA C 13 60.43 0.31 . 1 . . . . 155 PHE CA . 6758 1 601 . 1 1 166 166 PHE CB C 13 39.07 0.31 . 1 . . . . 155 PHE CB . 6758 1 602 . 1 1 166 166 PHE N N 15 122.39 0.14 . 1 . . . . 155 PHE N . 6758 1 603 . 1 1 167 167 PHE H H 1 6.82 0.015 . 1 . . . . 156 PHE H . 6758 1 604 . 1 1 167 167 PHE C C 13 177.651 0.08 . 1 . . . . 156 PHE C . 6758 1 605 . 1 1 167 167 PHE CA C 13 61.65 0.31 . 1 . . . . 156 PHE CA . 6758 1 606 . 1 1 167 167 PHE CB C 13 37.67 0.31 . 1 . . . . 156 PHE CB . 6758 1 607 . 1 1 167 167 PHE N N 15 114.89 0.14 . 1 . . . . 156 PHE N . 6758 1 608 . 1 1 168 168 ARG H H 1 7.66 0.015 . 1 . . . . 157 ARG H . 6758 1 609 . 1 1 168 168 ARG C C 13 177.38 0.08 . 1 . . . . 157 ARG C . 6758 1 610 . 1 1 168 168 ARG CA C 13 59.4 0.31 . 1 . . . . 157 ARG CA . 6758 1 611 . 1 1 168 168 ARG CB C 13 30.45 0.31 . 1 . . . . 157 ARG CB . 6758 1 612 . 1 1 168 168 ARG N N 15 119.7 0.14 . 1 . . . . 157 ARG N . 6758 1 613 . 1 1 169 169 ASP H H 1 7.88 0.015 . 1 . . . . 158 ASP H . 6758 1 614 . 1 1 169 169 ASP CA C 13 54.22 0.08 . 1 . . . . 158 ASP CA . 6758 1 615 . 1 1 169 169 ASP N N 15 114.61 0.14 . 1 . . . . 158 ASP N . 6758 1 616 . 1 1 170 170 SER H H 1 6.95 0.015 . 1 . . . . 159 SER H . 6758 1 617 . 1 1 170 170 SER C C 13 175.187 0.08 . 1 . . . . 159 SER C . 6758 1 618 . 1 1 170 170 SER CA C 13 59.31 0.31 . 1 . . . . 159 SER CA . 6758 1 619 . 1 1 170 170 SER CB C 13 63.52 0.31 . 1 . . . . 159 SER CB . 6758 1 620 . 1 1 170 170 SER N N 15 116.31 0.14 . 1 . . . . 159 SER N . 6758 1 621 . 1 1 171 171 ARG H H 1 8.4 0.015 . 1 . . . . 160 ARG H . 6758 1 622 . 1 1 171 171 ARG C C 13 175.084 0.08 . 1 . . . . 160 ARG C . 6758 1 623 . 1 1 171 171 ARG CA C 13 56.32 0.31 . 1 . . . . 160 ARG CA . 6758 1 624 . 1 1 171 171 ARG CB C 13 29.71 0.31 . 1 . . . . 160 ARG CB . 6758 1 625 . 1 1 171 171 ARG N N 15 124.08 0.14 . 1 . . . . 160 ARG N . 6758 1 626 . 1 1 172 172 ASP H H 1 7.94 0.015 . 1 . . . . 161 ASP H . 6758 1 627 . 1 1 172 172 ASP CA C 13 50.87 0.31 . 1 . . . . 161 ASP CA . 6758 1 628 . 1 1 172 172 ASP CB C 13 42.41 0.31 . 1 . . . . 161 ASP CB . 6758 1 629 . 1 1 172 172 ASP N N 15 121.11 0.14 . 1 . . . . 161 ASP N . 6758 1 630 . 1 1 173 173 PRO C C 13 178.938 0.08 . 1 . . . . 162 PRO C . 6758 1 631 . 1 1 174 174 VAL H H 1 7.64 0.015 . 1 . . . . 163 VAL H . 6758 1 632 . 1 1 174 174 VAL C C 13 178.489 0.08 . 1 . . . . 163 VAL C . 6758 1 633 . 1 1 174 174 VAL CA C 13 65.19 0.31 . 1 . . . . 163 VAL CA . 6758 1 634 . 1 1 174 174 VAL CB C 13 30.95 0.31 . 1 . . . . 163 VAL CB . 6758 1 635 . 1 1 174 174 VAL N N 15 118.43 0.14 . 1 . . . . 163 VAL N . 6758 1 636 . 1 1 175 175 HIS H H 1 7.42 0.015 . 1 . . . . 164 HIS H . 6758 1 637 . 1 1 175 175 HIS C C 13 176.463 0.08 . 1 . . . . 164 HIS C . 6758 1 638 . 1 1 175 175 HIS CA C 13 58.88 0.31 . 1 . . . . 164 HIS CA . 6758 1 639 . 1 1 175 175 HIS CB C 13 29.73 0.31 . 1 . . . . 164 HIS CB . 6758 1 640 . 1 1 175 175 HIS N N 15 117.72 0.14 . 1 . . . . 164 HIS N . 6758 1 641 . 1 1 176 176 GLN H H 1 7.66 0.015 . 1 . . . . 165 GLN H . 6758 1 642 . 1 1 176 176 GLN C C 13 176.511 0.08 . 1 . . . . 165 GLN C . 6758 1 643 . 1 1 176 176 GLN CA C 13 57.87 0.31 . 1 . . . . 165 GLN CA . 6758 1 644 . 1 1 176 176 GLN CB C 13 29.15 0.31 . 1 . . . . 165 GLN CB . 6758 1 645 . 1 1 176 176 GLN N N 15 116.02 0.14 . 1 . . . . 165 GLN N . 6758 1 646 . 1 1 177 177 ALA H H 1 6.77 0.015 . 1 . . . . 166 ALA H . 6758 1 647 . 1 1 177 177 ALA C C 13 177.196 0.08 . 1 . . . . 166 ALA C . 6758 1 648 . 1 1 177 177 ALA CA C 13 50.9 0.31 . 1 . . . . 166 ALA CA . 6758 1 649 . 1 1 177 177 ALA CB C 13 18.82 0.31 . 1 . . . . 166 ALA CB . 6758 1 650 . 1 1 177 177 ALA N N 15 116.17 0.14 . 1 . . . . 166 ALA N . 6758 1 651 . 1 1 178 178 LEU H H 1 6.82 0.015 . 1 . . . . 167 LEU H . 6758 1 652 . 1 1 178 178 LEU C C 13 177.057 0.08 . 1 . . . . 167 LEU C . 6758 1 653 . 1 1 178 178 LEU CA C 13 55.79 0.31 . 1 . . . . 167 LEU CA . 6758 1 654 . 1 1 178 178 LEU CB C 13 40.93 0.31 . 1 . . . . 167 LEU CB . 6758 1 655 . 1 1 178 178 LEU N N 15 121.4 0.14 . 1 . . . . 167 LEU N . 6758 1 656 . 1 1 179 179 ASN H H 1 7.87 0.015 . 1 . . . . 168 ASN H . 6758 1 657 . 1 1 179 179 ASN C C 13 173.721 0.08 . 1 . . . . 168 ASN C . 6758 1 658 . 1 1 179 179 ASN CA C 13 52.93 0.31 . 1 . . . . 168 ASN CA . 6758 1 659 . 1 1 179 179 ASN CB C 13 39.25 0.31 . 1 . . . . 168 ASN CB . 6758 1 660 . 1 1 179 179 ASN N N 15 119.13 0.14 . 1 . . . . 168 ASN N . 6758 1 661 . 1 1 180 180 TRP H H 1 8.26 0.015 . 1 . . . . 169 TRP H . 6758 1 662 . 1 1 180 180 TRP C C 13 175.717 0.08 . 1 . . . . 169 TRP C . 6758 1 663 . 1 1 180 180 TRP CA C 13 52.93 0.31 . 1 . . . . 169 TRP CA . 6758 1 664 . 1 1 180 180 TRP CB C 13 33.41 0.31 . 1 . . . . 169 TRP CB . 6758 1 665 . 1 1 180 180 TRP N N 15 120.69 0.14 . 1 . . . . 169 TRP N . 6758 1 666 . 1 1 181 181 MET H H 1 8.67 0.015 . 1 . . . . 170 MET H . 6758 1 667 . 1 1 181 181 MET C C 13 174.702 0.08 . 1 . . . . 170 MET C . 6758 1 668 . 1 1 181 181 MET CA C 13 54.96 0.31 . 1 . . . . 170 MET CA . 6758 1 669 . 1 1 181 181 MET CB C 13 37.23 0.31 . 1 . . . . 170 MET CB . 6758 1 670 . 1 1 181 181 MET N N 15 120.41 0.14 . 1 . . . . 170 MET N . 6758 1 671 . 1 1 182 182 ILE H H 1 10.11 0.015 . 1 . . . . 171 ILE H . 6758 1 672 . 1 1 182 182 ILE C C 13 174.084 0.08 . 1 . . . . 171 ILE C . 6758 1 673 . 1 1 182 182 ILE CA C 13 60.87 0.31 . 1 . . . . 171 ILE CA . 6758 1 674 . 1 1 182 182 ILE CB C 13 40.9 0.31 . 1 . . . . 171 ILE CB . 6758 1 675 . 1 1 182 182 ILE N N 15 128.83 0.14 . 1 . . . . 171 ILE N . 6758 1 676 . 1 1 183 183 LEU H H 1 9.12 0.015 . 1 . . . . 172 LEU H . 6758 1 677 . 1 1 183 183 LEU C C 13 174.159 0.08 . 1 . . . . 172 LEU C . 6758 1 678 . 1 1 183 183 LEU CA C 13 54.05 0.31 . 1 . . . . 172 LEU CA . 6758 1 679 . 1 1 183 183 LEU CB C 13 45.2 0.31 . 1 . . . . 172 LEU CB . 6758 1 680 . 1 1 183 183 LEU N N 15 130.59 0.14 . 1 . . . . 172 LEU N . 6758 1 681 . 1 1 184 184 GLY H H 1 7.97 0.015 . 1 . . . . 173 GLY H . 6758 1 682 . 1 1 184 184 GLY CA C 13 46.29 0.31 . 1 . . . . 173 GLY CA . 6758 1 683 . 1 1 184 184 GLY N N 15 106.41 0.14 . 1 . . . . 173 GLY N . 6758 1 684 . 1 1 185 185 ASP H H 1 6.19 0.015 . 1 . . . . 174 ASP H . 6758 1 685 . 1 1 185 185 ASP C C 13 176.508 0.08 . 1 . . . . 174 ASP C . 6758 1 686 . 1 1 185 185 ASP CA C 13 50.78 0.31 . 1 . . . . 174 ASP CA . 6758 1 687 . 1 1 185 185 ASP CB C 13 38.69 0.31 . 1 . . . . 174 ASP CB . 6758 1 688 . 1 1 185 185 ASP N N 15 114.33 0.14 . 1 . . . . 174 ASP N . 6758 1 689 . 1 1 186 186 PHE H H 1 8.53 0.015 . 1 . . . . 175 PHE H . 6758 1 690 . 1 1 186 186 PHE C C 13 176.259 0.08 . 1 . . . . 175 PHE C . 6758 1 691 . 1 1 186 186 PHE CA C 13 60.65 0.31 . 1 . . . . 175 PHE CA . 6758 1 692 . 1 1 186 186 PHE CB C 13 40.12 0.31 . 1 . . . . 175 PHE CB . 6758 1 693 . 1 1 186 186 PHE N N 15 122.39 0.14 . 1 . . . . 175 PHE N . 6758 1 694 . 1 1 187 187 ASN H H 1 8.64 0.015 . 1 . . . . 176 ASN H . 6758 1 695 . 1 1 187 187 ASN C C 13 171.283 0.08 . 1 . . . . 176 ASN C . 6758 1 696 . 1 1 187 187 ASN CA C 13 55.95 0.31 . 1 . . . . 176 ASN CA . 6758 1 697 . 1 1 187 187 ASN CB C 13 39.97 0.31 . 1 . . . . 176 ASN CB . 6758 1 698 . 1 1 187 187 ASN N N 15 116.45 0.14 . 1 . . . . 176 ASN N . 6758 1 699 . 1 1 188 188 ARG H H 1 7.22 0.015 . 1 . . . . 177 ARG H . 6758 1 700 . 1 1 188 188 ARG C C 13 175.094 0.08 . 1 . . . . 177 ARG C . 6758 1 701 . 1 1 188 188 ARG CA C 13 55.36 0.31 . 1 . . . . 177 ARG CA . 6758 1 702 . 1 1 188 188 ARG CB C 13 33.91 0.31 . 1 . . . . 177 ARG CB . 6758 1 703 . 1 1 188 188 ARG N N 15 112.07 0.14 . 1 . . . . 177 ARG N . 6758 1 704 . 1 1 189 189 GLU H H 1 9.43 0.015 . 1 . . . . 178 GLU H . 6758 1 705 . 1 1 189 189 GLU CA C 13 56.56 0.31 . 1 . . . . 178 GLU CA . 6758 1 706 . 1 1 189 189 GLU CB C 13 28.39 0.31 . 1 . . . . 178 GLU CB . 6758 1 707 . 1 1 189 189 GLU N N 15 127.76 0.14 . 1 . . . . 178 GLU N . 6758 1 708 . 1 1 190 190 PRO C C 13 178.009 0.08 . 1 . . . . 179 PRO C . 6758 1 709 . 1 1 191 191 ALA H H 1 8.38 0.015 . 1 . . . . 180 ALA H . 6758 1 710 . 1 1 191 191 ALA C C 13 179.803 0.08 . 1 . . . . 180 ALA C . 6758 1 711 . 1 1 191 191 ALA CA C 13 55.1 0.31 . 1 . . . . 180 ALA CA . 6758 1 712 . 1 1 191 191 ALA CB C 13 18.25 0.31 . 1 . . . . 180 ALA CB . 6758 1 713 . 1 1 191 191 ALA N N 15 118.15 0.14 . 1 . . . . 180 ALA N . 6758 1 714 . 1 1 192 192 ASP H H 1 6.83 0.015 . 1 . . . . 181 ASP H . 6758 1 715 . 1 1 192 192 ASP CA C 13 56.28 0.31 . 1 . . . . 181 ASP CA . 6758 1 716 . 1 1 192 192 ASP CB C 13 42.55 0.31 . 1 . . . . 181 ASP CB . 6758 1 717 . 1 1 192 192 ASP N N 15 118.15 0.14 . 1 . . . . 181 ASP N . 6758 1 718 . 1 1 193 193 LEU H H 1 7.89 0.015 . 1 . . . . 182 LEU H . 6758 1 719 . 1 1 193 193 LEU C C 13 175.548 0.08 . 1 . . . . 182 LEU C . 6758 1 720 . 1 1 193 193 LEU CA C 13 59.41 0.31 . 1 . . . . 182 LEU CA . 6758 1 721 . 1 1 193 193 LEU CB C 13 41.03 0.31 . 1 . . . . 182 LEU CB . 6758 1 722 . 1 1 193 193 LEU N N 15 120.69 0.14 . 1 . . . . 182 LEU N . 6758 1 723 . 1 1 194 194 GLU H H 1 8.31 0.015 . 1 . . . . 183 GLU H . 6758 1 724 . 1 1 194 194 GLU C C 13 178.331 0.08 . 1 . . . . 183 GLU C . 6758 1 725 . 1 1 194 194 GLU CA C 13 60.5 0.31 . 1 . . . . 183 GLU CA . 6758 1 726 . 1 1 194 194 GLU CB C 13 29.92 0.31 . 1 . . . . 183 GLU CB . 6758 1 727 . 1 1 194 194 GLU N N 15 117.44 0.14 . 1 . . . . 183 GLU N . 6758 1 728 . 1 1 195 195 MET H H 1 7.32 0.015 . 1 . . . . 184 MET H . 6758 1 729 . 1 1 195 195 MET C C 13 176.12 0.08 . 1 . . . . 184 MET C . 6758 1 730 . 1 1 195 195 MET CA C 13 57.17 0.31 . 1 . . . . 184 MET CA . 6758 1 731 . 1 1 195 195 MET CB C 13 32.57 0.31 . 1 . . . . 184 MET CB . 6758 1 732 . 1 1 195 195 MET N N 15 113.34 0.14 . 1 . . . . 184 MET N . 6758 1 733 . 1 1 196 196 ASN H H 1 7.49 0.015 . 1 . . . . 185 ASN H . 6758 1 734 . 1 1 196 196 ASN CA C 13 54.33 0.31 . 1 . . . . 185 ASN CA . 6758 1 735 . 1 1 196 196 ASN CB C 13 41.4 0.31 . 1 . . . . 185 ASN CB . 6758 1 736 . 1 1 196 196 ASN N N 15 116.87 0.14 . 1 . . . . 185 ASN N . 6758 1 737 . 1 1 197 197 LEU H H 1 7.87 0.015 . 1 . . . . 186 LEU H . 6758 1 738 . 1 1 197 197 LEU C C 13 177.434 0.08 . 1 . . . . 186 LEU C . 6758 1 739 . 1 1 197 197 LEU CA C 13 55.69 0.31 . 1 . . . . 186 LEU CA . 6758 1 740 . 1 1 197 197 LEU CB C 13 41.99 0.31 . 1 . . . . 186 LEU CB . 6758 1 741 . 1 1 198 198 THR H H 1 7.97 0.015 . 1 . . . . 187 THR H . 6758 1 742 . 1 1 198 198 THR CA C 13 62.07 0.31 . 1 . . . . 187 THR CA . 6758 1 743 . 1 1 198 198 THR CB C 13 69.73 0.31 . 1 . . . . 187 THR CB . 6758 1 744 . 1 1 198 198 THR N N 15 115.46 0.14 . 1 . . . . 187 THR N . 6758 1 745 . 1 1 199 199 VAL H H 1 7.83 0.015 . 1 . . . . 188 VAL H . 6758 1 746 . 1 1 199 199 VAL CA C 13 59.69 0.31 . 1 . . . . 188 VAL CA . 6758 1 747 . 1 1 199 199 VAL CB C 13 32.54 0.31 . 1 . . . . 188 VAL CB . 6758 1 748 . 1 1 199 199 VAL N N 15 123.94 0.14 . 1 . . . . 188 VAL N . 6758 1 749 . 1 1 200 200 PRO C C 13 176.751 0.08 . 1 . . . . 189 PRO C . 6758 1 750 . 1 1 201 201 VAL H H 1 7.95 0.015 . 1 . . . . 190 VAL H . 6758 1 751 . 1 1 201 201 VAL C C 13 176.083 0.08 . 1 . . . . 190 VAL C . 6758 1 752 . 1 1 201 201 VAL CA C 13 62.51 0.31 . 1 . . . . 190 VAL CA . 6758 1 753 . 1 1 201 201 VAL CB C 13 32.83 0.31 . 1 . . . . 190 VAL CB . 6758 1 754 . 1 1 201 201 VAL N N 15 121.11 0.14 . 1 . . . . 190 VAL N . 6758 1 755 . 1 1 202 202 ARG H H 1 8.19 0.015 . 1 . . . . 191 ARG H . 6758 1 756 . 1 1 202 202 ARG C C 13 175.952 0.08 . 1 . . . . 191 ARG C . 6758 1 757 . 1 1 202 202 ARG CA C 13 55.89 0.31 . 1 . . . . 191 ARG CA . 6758 1 758 . 1 1 202 202 ARG CB C 13 30.69 0.31 . 1 . . . . 191 ARG CB . 6758 1 759 . 1 1 202 202 ARG N N 15 125.64 0.14 . 1 . . . . 191 ARG N . 6758 1 760 . 1 1 203 203 ARG H H 1 8.27 0.015 . 1 . . . . 192 ARG H . 6758 1 761 . 1 1 203 203 ARG C C 13 176.108 0.08 . 1 . . . . 192 ARG C . 6758 1 762 . 1 1 203 203 ARG CA C 13 55.97 0.31 . 1 . . . . 192 ARG CA . 6758 1 763 . 1 1 203 203 ARG CB C 13 30.71 0.31 . 1 . . . . 192 ARG CB . 6758 1 764 . 1 1 203 203 ARG N N 15 123.94 0.14 . 1 . . . . 192 ARG N . 6758 1 765 . 1 1 204 204 ALA H H 1 8.29 0.015 . 1 . . . . 193 ALA H . 6758 1 766 . 1 1 204 204 ALA C C 13 177.752 0.08 . 1 . . . . 193 ALA C . 6758 1 767 . 1 1 204 204 ALA CA C 13 53.07 0.31 . 1 . . . . 193 ALA CA . 6758 1 768 . 1 1 204 204 ALA CB C 13 19.26 0.31 . 1 . . . . 193 ALA CB . 6758 1 769 . 1 1 204 204 ALA N N 15 126.35 0.14 . 1 . . . . 193 ALA N . 6758 1 770 . 1 1 205 205 SER H H 1 8.04 0.015 . 1 . . . . 194 SER H . 6758 1 771 . 1 1 205 205 SER C C 13 174.485 0.08 . 1 . . . . 194 SER C . 6758 1 772 . 1 1 205 205 SER CA C 13 58.5 0.31 . 1 . . . . 194 SER CA . 6758 1 773 . 1 1 205 205 SER CB C 13 63.382 0.31 . 1 . . . . 194 SER CB . 6758 1 774 . 1 1 205 205 SER N N 15 114.75 0.14 . 1 . . . . 194 SER N . 6758 1 775 . 1 1 206 206 GLU H H 1 8.16 0.015 . 5 . . . . 195 GLU H . 6758 1 776 . 1 1 206 206 GLU C C 13 176.029 0.08 . 5 . . . . 195 GLU C . 6758 1 777 . 1 1 206 206 GLU CA C 13 56.48 0.31 . 5 . . . . 195 GLU CA . 6758 1 778 . 1 1 206 206 GLU CB C 13 30.38 0.31 . 5 . . . . 195 GLU CB . 6758 1 779 . 1 1 206 206 GLU N N 15 123.09 0.14 . 5 . . . . 195 GLU N . 6758 1 780 . 1 1 207 207 ILE H H 1 7.93 0.015 . 1 . . . . 196 ILE H . 6758 1 781 . 1 1 207 207 ILE C C 13 175.975 0.08 . 1 . . . . 196 ILE C . 6758 1 782 . 1 1 207 207 ILE CA C 13 61.25 0.31 . 1 . . . . 196 ILE CA . 6758 1 783 . 1 1 207 207 ILE CB C 13 38.41 0.31 . 1 . . . . 196 ILE CB . 6758 1 784 . 1 1 207 207 ILE N N 15 122.39 0.14 . 1 . . . . 196 ILE N . 6758 1 785 . 1 1 208 208 ILE H H 1 8.02 0.015 . 1 . . . . 197 ILE H . 6758 1 786 . 1 1 208 208 ILE C C 13 176.116 0.08 . 1 . . . . 197 ILE C . 6758 1 787 . 1 1 208 208 ILE CA C 13 60.98 0.31 . 1 . . . . 197 ILE CA . 6758 1 788 . 1 1 208 208 ILE CB C 13 38.48 0.31 . 1 . . . . 197 ILE CB . 6758 1 789 . 1 1 208 208 ILE N N 15 126.06 0.14 . 1 . . . . 197 ILE N . 6758 1 790 . 1 1 209 209 SER H H 1 8.22 0.015 . 1 . . . . 198 SER H . 6758 1 791 . 1 1 209 209 SER CA C 13 58.3 0.31 . 1 . . . . 198 SER CA . 6758 1 792 . 1 1 209 209 SER CB C 13 64.04 0.31 . 1 . . . . 198 SER CB . 6758 1 793 . 1 1 209 209 SER N N 15 120.41 0.14 . 1 . . . . 198 SER N . 6758 1 794 . 1 1 210 210 PRO C C 13 176.889 0.08 . 1 . . . . 199 PRO C . 6758 1 795 . 1 1 211 211 ALA H H 1 8.07 0.015 . 1 . . . . 200 ALA H . 6758 1 796 . 1 1 211 211 ALA CA C 13 52.76 0.31 . 1 . . . . 200 ALA CA . 6758 1 797 . 1 1 211 211 ALA CB C 13 19.11 0.31 . 1 . . . . 200 ALA CB . 6758 1 798 . 1 1 211 211 ALA N N 15 124.08 0.14 . 1 . . . . 200 ALA N . 6758 1 799 . 1 1 212 212 ALA H H 1 7.96 0.015 . 1 . . . . 201 ALA H . 6758 1 800 . 1 1 212 212 ALA CA C 13 52.72 0.31 . 1 . . . . 201 ALA CA . 6758 1 801 . 1 1 212 212 ALA CB C 13 19.25 0.31 . 1 . . . . 201 ALA CB . 6758 1 802 . 1 1 212 212 ALA N N 15 123.38 0.14 . 1 . . . . 201 ALA N . 6758 1 803 . 1 1 213 213 ALA H H 1 8.03 0.015 . 1 . . . . 202 ALA H . 6758 1 804 . 1 1 213 213 ALA C C 13 177.989 0.08 . 1 . . . . 202 ALA C . 6758 1 805 . 1 1 213 213 ALA CA C 13 52.72 0.31 . 1 . . . . 202 ALA CA . 6758 1 806 . 1 1 213 213 ALA CB C 13 19.25 0.31 . 1 . . . . 202 ALA CB . 6758 1 807 . 1 1 213 213 ALA N N 15 123.52 0.14 . 1 . . . . 202 ALA N . 6758 1 808 . 1 1 214 214 THR H H 1 7.85 0.015 . 1 . . . . 203 THR H . 6758 1 809 . 1 1 214 214 THR C C 13 174.5 0.08 . 1 . . . . 203 THR C . 6758 1 810 . 1 1 214 214 THR CA C 13 62.09 0.31 . 1 . . . . 203 THR CA . 6758 1 811 . 1 1 214 214 THR CB C 13 69.78 0.31 . 1 . . . . 203 THR CB . 6758 1 812 . 1 1 214 214 THR N N 15 113.2 0.14 . 1 . . . . 203 THR N . 6758 1 813 . 1 1 215 215 GLN H H 1 8.2 0.015 . 9 . . . . 204 GLN H . 6758 1 814 . 1 1 215 215 GLN C C 13 176.204 0.08 . 9 . . . . 204 GLN C . 6758 1 815 . 1 1 215 215 GLN CA C 13 56.16 0.31 . 9 . . . . 204 GLN CA . 6758 1 816 . 1 1 215 215 GLN CB C 13 29.45 0.31 . 9 . . . . 204 GLN CB . 6758 1 817 . 1 1 215 215 GLN N N 15 123.09 0.14 . 9 . . . . 204 GLN N . 6758 1 818 . 1 1 216 216 THR H H 1 8.04 0.015 . 1 . . . . 205 THR H . 6758 1 819 . 1 1 216 216 THR C C 13 174.628 0.08 . 1 . . . . 205 THR C . 6758 1 820 . 1 1 216 216 THR CA C 13 62.14 0.31 . 1 . . . . 205 THR CA . 6758 1 821 . 1 1 216 216 THR CB C 13 69.54 0.31 . 1 . . . . 205 THR CB . 6758 1 822 . 1 1 216 216 THR N N 15 115.6 0.14 . 1 . . . . 205 THR N . 6758 1 823 . 1 1 217 217 SER H H 1 8.13 0.015 . 1 . . . . 206 SER H . 6758 1 824 . 1 1 217 217 SER CA C 13 58.63 0.31 . 1 . . . . 206 SER CA . 6758 1 825 . 1 1 217 217 SER CB C 13 64.28 0.31 . 1 . . . . 206 SER CB . 6758 1 826 . 1 1 217 217 SER N N 15 118.2 0.14 . 1 . . . . 206 SER N . 6758 1 827 . 1 1 218 218 GLN H H 1 8.16 0.015 . 5 . . . . 207 GLN H . 6758 1 828 . 1 1 218 218 GLN CA C 13 56.5 0.31 . 5 . . . . 207 GLN CA . 6758 1 829 . 1 1 218 218 GLN CB C 13 30.3 0.31 . 5 . . . . 207 GLN CB . 6758 1 830 . 1 1 218 218 GLN N N 15 123.09 0.14 . 5 . . . . 207 GLN N . 6758 1 831 . 1 1 219 219 ARG H H 1 8.27 0.015 . 1 . . . . 208 ARG H . 6758 1 832 . 1 1 219 219 ARG CA C 13 55.99 0.31 . 1 . . . . 208 ARG CA . 6758 1 833 . 1 1 219 219 ARG CB C 13 30.94 0.31 . 1 . . . . 208 ARG CB . 6758 1 834 . 1 1 219 219 ARG N N 15 123.06 0.14 . 1 . . . . 208 ARG N . 6758 1 835 . 1 1 220 220 THR H H 1 7.99 0.015 . 1 . . . . 209 THR H . 6758 1 836 . 1 1 220 220 THR CA C 13 61.95 0.31 . 1 . . . . 209 THR CA . 6758 1 837 . 1 1 220 220 THR CB C 13 69.66 0.31 . 1 . . . . 209 THR CB . 6758 1 838 . 1 1 220 220 THR N N 15 116.17 0.14 . 1 . . . . 209 THR N . 6758 1 839 . 1 1 221 221 LEU C C 13 173.715 0.08 . 9 . . . . 210 LEU C . 6758 1 840 . 1 1 221 221 LEU CA C 13 54.59 0.31 . 9 . . . . 210 LEU CA . 6758 1 841 . 1 1 221 221 LEU CB C 13 43.44 0.31 . 9 . . . . 210 LEU CB . 6758 1 842 . 1 1 222 222 ASP H H 1 7.53 0.015 . 1 . . . . 211 ASP H . 6758 1 843 . 1 1 222 222 ASP C C 13 174.42 0.08 . 1 . . . . 211 ASP C . 6758 1 844 . 1 1 222 222 ASP CA C 13 52.73 0.31 . 1 . . . . 211 ASP CA . 6758 1 845 . 1 1 222 222 ASP CB C 13 42.97 0.31 . 1 . . . . 211 ASP CB . 6758 1 846 . 1 1 223 223 TYR H H 1 8.31 0.015 . 1 . . . . 212 TYR H . 6758 1 847 . 1 1 223 223 TYR C C 13 170.88 0.08 . 1 . . . . 212 TYR C . 6758 1 848 . 1 1 223 223 TYR CA C 13 57.76 0.31 . 1 . . . . 212 TYR CA . 6758 1 849 . 1 1 223 223 TYR CB C 13 33.88 0.31 . 1 . . . . 212 TYR CB . 6758 1 850 . 1 1 223 223 TYR N N 15 115.6 0.14 . 1 . . . . 212 TYR N . 6758 1 851 . 1 1 224 224 ALA H H 1 8.38 0.015 . 1 . . . . 213 ALA H . 6758 1 852 . 1 1 224 224 ALA C C 13 176.04 0.08 . 1 . . . . 213 ALA C . 6758 1 853 . 1 1 224 224 ALA CA C 13 50.21 0.31 . 1 . . . . 213 ALA CA . 6758 1 854 . 1 1 224 224 ALA CB C 13 24.74 0.31 . 1 . . . . 213 ALA CB . 6758 1 855 . 1 1 224 224 ALA N N 15 120.55 0.14 . 1 . . . . 213 ALA N . 6758 1 856 . 1 1 225 225 VAL H H 1 9.2 0.015 . 1 . . . . 214 VAL H . 6758 1 857 . 1 1 225 225 VAL C C 13 174.611 0.08 . 1 . . . . 214 VAL C . 6758 1 858 . 1 1 225 225 VAL CA C 13 61.53 0.31 . 1 . . . . 214 VAL CA . 6758 1 859 . 1 1 225 225 VAL CB C 13 35.05 0.31 . 1 . . . . 214 VAL CB . 6758 1 860 . 1 1 225 225 VAL N N 15 121.11 0.14 . 1 . . . . 214 VAL N . 6758 1 861 . 1 1 226 226 ALA H H 1 8.99 0.015 . 1 . . . . 215 ALA H . 6758 1 862 . 1 1 226 226 ALA C C 13 175.496 0.08 . 1 . . . . 215 ALA C . 6758 1 863 . 1 1 226 226 ALA CA C 13 50.01 0.31 . 1 . . . . 215 ALA CA . 6758 1 864 . 1 1 226 226 ALA CB C 13 22.41 0.31 . 1 . . . . 215 ALA CB . 6758 1 865 . 1 1 226 226 ALA N N 15 131.72 0.14 . 1 . . . . 215 ALA N . 6758 1 866 . 1 1 227 227 GLY H H 1 8.34 0.015 . 1 . . . . 216 GLY H . 6758 1 867 . 1 1 227 227 GLY C C 13 171.662 0.08 . 1 . . . . 216 GLY C . 6758 1 868 . 1 1 227 227 GLY CA C 13 45.3 0.31 . 1 . . . . 216 GLY CA . 6758 1 869 . 1 1 227 227 GLY N N 15 108.16 0.14 . 1 . . . . 216 GLY N . 6758 1 870 . 1 1 228 228 ASN H H 1 7.31 0.015 . 1 . . . . 217 ASN H . 6758 1 871 . 1 1 228 228 ASN C C 13 175.926 0.08 . 1 . . . . 217 ASN C . 6758 1 872 . 1 1 228 228 ASN CA C 13 54.73 0.31 . 1 . . . . 217 ASN CA . 6758 1 873 . 1 1 228 228 ASN CB C 13 42.17 0.31 . 1 . . . . 217 ASN CB . 6758 1 874 . 1 1 228 228 ASN N N 15 116.31 0.14 . 1 . . . . 217 ASN N . 6758 1 875 . 1 1 229 229 SER CA C 13 61.8 0.31 . 9 . . . . 218 SER CA . 6758 1 876 . 1 1 229 229 SER CB C 13 61.8 0.31 . 9 . . . . 218 SER CB . 6758 1 877 . 1 1 230 230 VAL H H 1 8.23 0.015 . 1 . . . . 219 VAL H . 6758 1 878 . 1 1 230 230 VAL C C 13 175.719 0.08 . 1 . . . . 219 VAL C . 6758 1 879 . 1 1 230 230 VAL CA C 13 62.68 0.31 . 1 . . . . 219 VAL CA . 6758 1 880 . 1 1 230 230 VAL CB C 13 34.48 0.31 . 1 . . . . 219 VAL CB . 6758 1 881 . 1 1 230 230 VAL N N 15 114.33 0.14 . 1 . . . . 219 VAL N . 6758 1 882 . 1 1 231 231 ALA H H 1 8.01 0.015 . 1 . . . . 220 ALA H . 6758 1 883 . 1 1 231 231 ALA C C 13 175.145 0.08 . 1 . . . . 220 ALA C . 6758 1 884 . 1 1 231 231 ALA CA C 13 51.46 0.31 . 1 . . . . 220 ALA CA . 6758 1 885 . 1 1 231 231 ALA CB C 13 18.79 0.31 . 1 . . . . 220 ALA CB . 6758 1 886 . 1 1 231 231 ALA N N 15 127.62 0.14 . 1 . . . . 220 ALA N . 6758 1 887 . 1 1 232 232 PHE H H 1 8.47 0.015 . 1 . . . . 221 PHE H . 6758 1 888 . 1 1 232 232 PHE C C 13 174.987 0.08 . 1 . . . . 221 PHE C . 6758 1 889 . 1 1 232 232 PHE CA C 13 59.28 0.31 . 1 . . . . 221 PHE CA . 6758 1 890 . 1 1 232 232 PHE CB C 13 39.82 0.31 . 1 . . . . 221 PHE CB . 6758 1 891 . 1 1 232 232 PHE N N 15 123.09 0.14 . 1 . . . . 221 PHE N . 6758 1 892 . 1 1 233 233 ARG H H 1 7.36 0.015 . 1 . . . . 222 ARG H . 6758 1 893 . 1 1 233 233 ARG CA C 13 52.72 0.31 . 1 . . . . 222 ARG CA . 6758 1 894 . 1 1 233 233 ARG CB C 13 31.29 0.31 . 1 . . . . 222 ARG CB . 6758 1 895 . 1 1 233 233 ARG N N 15 129.74 0.14 . 1 . . . . 222 ARG N . 6758 1 896 . 1 1 234 234 PRO C C 13 176.668 0.08 . 5 . . . . 223 PRO C . 6758 1 897 . 1 1 235 235 SER H H 1 9.25 0.015 . 5 . . . . 224 SER H . 6758 1 898 . 1 1 235 235 SER CA C 13 56.64 0.31 . 5 . . . . 224 SER CA . 6758 1 899 . 1 1 235 235 SER CB C 13 64.52 0.31 . 5 . . . . 224 SER CB . 6758 1 900 . 1 1 235 235 SER N N 15 121.68 0.14 . 5 . . . . 224 SER N . 6758 1 901 . 1 1 236 236 PRO C C 13 174.541 0.08 . 1 . . . . 225 PRO C . 6758 1 902 . 1 1 237 237 LEU H H 1 7.73 0.015 . 1 . . . . 226 LEU H . 6758 1 903 . 1 1 237 237 LEU C C 13 175.796 0.08 . 1 . . . . 226 LEU C . 6758 1 904 . 1 1 237 237 LEU CA C 13 53.87 0.31 . 1 . . . . 226 LEU CA . 6758 1 905 . 1 1 237 237 LEU CB C 13 45.66 0.31 . 1 . . . . 226 LEU CB . 6758 1 906 . 1 1 237 237 LEU N N 15 125.5 0.14 . 1 . . . . 226 LEU N . 6758 1 907 . 1 1 238 238 GLN H H 1 8.79 0.015 . 1 . . . . 227 GLN H . 6758 1 908 . 1 1 238 238 GLN C C 13 173.21 0.08 . 1 . . . . 227 GLN C . 6758 1 909 . 1 1 238 238 GLN CA C 13 54.12 0.31 . 1 . . . . 227 GLN CA . 6758 1 910 . 1 1 238 238 GLN CB C 13 32.06 0.31 . 1 . . . . 227 GLN CB . 6758 1 911 . 1 1 238 238 GLN N N 15 118.57 0.14 . 1 . . . . 227 GLN N . 6758 1 912 . 1 1 239 239 ALA H H 1 8.75 0.015 . 1 . . . . 228 ALA H . 6758 1 913 . 1 1 239 239 ALA C C 13 177.058 0.08 . 1 . . . . 228 ALA C . 6758 1 914 . 1 1 239 239 ALA CA C 13 49.21 0.31 . 1 . . . . 228 ALA CA . 6758 1 915 . 1 1 239 239 ALA CB C 13 21.51 0.31 . 1 . . . . 228 ALA CB . 6758 1 916 . 1 1 239 239 ALA N N 15 125.21 0.14 . 1 . . . . 228 ALA N . 6758 1 917 . 1 1 240 240 GLY H H 1 8.64 0.015 . 1 . . . . 229 GLY H . 6758 1 918 . 1 1 240 240 GLY C C 13 172.136 0.08 . 1 . . . . 229 GLY C . 6758 1 919 . 1 1 240 240 GLY CA C 13 44.81 0.31 . 1 . . . . 229 GLY CA . 6758 1 920 . 1 1 240 240 GLY N N 15 106.97 0.14 . 1 . . . . 229 GLY N . 6758 1 921 . 1 1 241 241 ILE H H 1 8.58 0.015 . 1 . . . . 230 ILE H . 6758 1 922 . 1 1 241 241 ILE C C 13 176.393 0.08 . 1 . . . . 230 ILE C . 6758 1 923 . 1 1 241 241 ILE CA C 13 61.11 0.31 . 1 . . . . 230 ILE CA . 6758 1 924 . 1 1 241 241 ILE CB C 13 37.19 0.31 . 1 . . . . 230 ILE CB . 6758 1 925 . 1 1 241 241 ILE N N 15 124.51 0.14 . 1 . . . . 230 ILE N . 6758 1 926 . 1 1 242 242 VAL H H 1 7.96 0.015 . 1 . . . . 231 VAL H . 6758 1 927 . 1 1 242 242 VAL C C 13 174.95 0.08 . 1 . . . . 231 VAL C . 6758 1 928 . 1 1 242 242 VAL CA C 13 61.9 0.31 . 1 . . . . 231 VAL CA . 6758 1 929 . 1 1 242 242 VAL CB C 13 31.32 0.31 . 1 . . . . 231 VAL CB . 6758 1 930 . 1 1 242 242 VAL N N 15 128.47 0.14 . 1 . . . . 231 VAL N . 6758 1 931 . 1 1 243 243 TYR H H 1 7.83 0.015 . 1 . . . . 232 TYR H . 6758 1 932 . 1 1 243 243 TYR C C 13 176.775 0.08 . 1 . . . . 232 TYR C . 6758 1 933 . 1 1 243 243 TYR CA C 13 58.98 0.31 . 1 . . . . 232 TYR CA . 6758 1 934 . 1 1 243 243 TYR CB C 13 39.12 0.31 . 1 . . . . 232 TYR CB . 6758 1 935 . 1 1 243 243 TYR N N 15 124.65 0.14 . 1 . . . . 232 TYR N . 6758 1 936 . 1 1 244 244 GLY H H 1 8.12 0.015 . 1 . . . . 233 GLY H . 6758 1 937 . 1 1 244 244 GLY C C 13 173.881 0.08 . 1 . . . . 233 GLY C . 6758 1 938 . 1 1 244 244 GLY CA C 13 45.17 0.31 . 1 . . . . 233 GLY CA . 6758 1 939 . 1 1 244 244 GLY N N 15 109.24 0.14 . 1 . . . . 233 GLY N . 6758 1 940 . 1 1 245 245 ALA H H 1 7.87 0.015 . 1 . . . . 234 ALA H . 6758 1 941 . 1 1 245 245 ALA C C 13 177.796 0.08 . 1 . . . . 234 ALA C . 6758 1 942 . 1 1 245 245 ALA CA C 13 52.93 0.31 . 1 . . . . 234 ALA CA . 6758 1 943 . 1 1 245 245 ALA CB C 13 19.11 0.31 . 1 . . . . 234 ALA CB . 6758 1 944 . 1 1 245 245 ALA N N 15 123.94 0.14 . 1 . . . . 234 ALA N . 6758 1 945 . 1 1 246 246 ARG H H 1 8.04 0.015 . 1 . . . . 235 ARG H . 6758 1 946 . 1 1 246 246 ARG CA C 13 56.37 0.31 . 1 . . . . 235 ARG CA . 6758 1 947 . 1 1 246 246 ARG CB C 13 30.08 0.31 . 1 . . . . 235 ARG CB . 6758 1 948 . 1 1 246 246 ARG N N 15 119.13 0.14 . 1 . . . . 235 ARG N . 6758 1 949 . 1 1 247 247 ARG H H 1 8.11 0.015 . 1 . . . . 236 ARG H . 6758 1 950 . 1 1 247 247 ARG C C 13 176.404 0.08 . 1 . . . . 236 ARG C . 6758 1 951 . 1 1 247 247 ARG CA C 13 56.87 0.31 . 1 . . . . 236 ARG CA . 6758 1 952 . 1 1 247 247 ARG CB C 13 29.97 0.31 . 1 . . . . 236 ARG CB . 6758 1 953 . 1 1 247 247 ARG N N 15 121.11 0.14 . 1 . . . . 236 ARG N . 6758 1 954 . 1 1 248 248 THR H H 1 7.77 0.015 . 1 . . . . 237 THR H . 6758 1 955 . 1 1 248 248 THR C C 13 173.722 0.08 . 1 . . . . 237 THR C . 6758 1 956 . 1 1 248 248 THR CA C 13 61.84 0.31 . 1 . . . . 237 THR CA . 6758 1 957 . 1 1 248 248 THR CB C 13 69.74 0.31 . 1 . . . . 237 THR CB . 6758 1 958 . 1 1 248 248 THR N N 15 113.62 0.14 . 1 . . . . 237 THR N . 6758 1 959 . 1 1 249 249 GLN H H 1 8.14 0.015 . 1 . . . . 238 GLN H . 6758 1 960 . 1 1 249 249 GLN C C 13 176.116 0.08 . 1 . . . . 238 GLN C . 6758 1 961 . 1 1 249 249 GLN CA C 13 56.12 0.31 . 1 . . . . 238 GLN CA . 6758 1 962 . 1 1 249 249 GLN CB C 13 29.37 0.31 . 1 . . . . 238 GLN CB . 6758 1 963 . 1 1 249 249 GLN N N 15 122.1 0.14 . 1 . . . . 238 GLN N . 6758 1 964 . 1 1 250 250 ILE H H 1 8.11 0.015 . 1 . . . . 239 ILE H . 6758 1 965 . 1 1 250 250 ILE C C 13 173.941 0.08 . 1 . . . . 239 ILE C . 6758 1 966 . 1 1 250 250 ILE CA C 13 61.2 0.31 . 1 . . . . 239 ILE CA . 6758 1 967 . 1 1 250 250 ILE CB C 13 38.63 0.31 . 1 . . . . 239 ILE CB . 6758 1 968 . 1 1 250 250 ILE N N 15 122.02 0.14 . 1 . . . . 239 ILE N . 6758 1 969 . 1 1 251 251 SER H H 1 8.3 0.015 . 1 . . . . 240 SER H . 6758 1 970 . 1 1 251 251 SER CA C 13 58.58 0.31 . 1 . . . . 240 SER CA . 6758 1 971 . 1 1 251 251 SER CB C 13 63.89 0.31 . 1 . . . . 240 SER CB . 6758 1 972 . 1 1 251 251 SER N N 15 120.32 0.14 . 1 . . . . 240 SER N . 6758 1 973 . 1 1 252 252 SER H H 1 7.96 0.015 . 1 . . . . 241 SER H . 6758 1 974 . 1 1 252 252 SER CA C 13 57.99 0.31 . 1 . . . . 241 SER CA . 6758 1 975 . 1 1 252 252 SER CB C 13 64.42 0.31 . 1 . . . . 241 SER CB . 6758 1 976 . 1 1 252 252 SER N N 15 117.72 0.14 . 1 . . . . 241 SER N . 6758 1 977 . 1 1 253 253 ASP H H 1 8.15 0.015 . 1 . . . . 242 ASP H . 6758 1 978 . 1 1 253 253 ASP C C 13 175.781 0.08 . 1 . . . . 242 ASP C . 6758 1 979 . 1 1 253 253 ASP CA C 13 55.96 0.31 . 1 . . . . 242 ASP CA . 6758 1 980 . 1 1 253 253 ASP CB C 13 41.54 0.31 . 1 . . . . 242 ASP CB . 6758 1 981 . 1 1 253 253 ASP N N 15 121.96 0.14 . 1 . . . . 242 ASP N . 6758 1 982 . 1 1 254 254 HIS CA C 13 56.9 0.31 . 9 . . . . 243 HIS CA . 6758 1 983 . 1 1 254 254 HIS CB C 13 29.77 0.31 . 9 . . . . 243 HIS CB . 6758 1 984 . 1 1 255 255 PHE H H 1 8.19 0.015 . 9 . . . . 244 PHE H . 6758 1 985 . 1 1 255 255 PHE C C 13 175.077 0.08 . 9 . . . . 244 PHE C . 6758 1 986 . 1 1 255 255 PHE CA C 13 53.58 0.31 . 9 . . . . 244 PHE CA . 6758 1 987 . 1 1 255 255 PHE CB C 13 38.77 0.31 . 9 . . . . 244 PHE CB . 6758 1 988 . 1 1 256 256 PRO C C 13 175.961 0.08 . 1 . . . . 245 PRO C . 6758 1 989 . 1 1 256 256 PRO CA C 13 61.84 0.31 . 1 . . . . 245 PRO CA . 6758 1 990 . 1 1 256 256 PRO CB C 13 30.11 0.31 . 1 . . . . 245 PRO CB . 6758 1 991 . 1 1 257 257 VAL H H 1 8.65 0.015 . 1 . . . . 246 VAL H . 6758 1 992 . 1 1 257 257 VAL C C 13 175.327 0.08 . 1 . . . . 246 VAL C . 6758 1 993 . 1 1 257 257 VAL CA C 13 61.84 0.31 . 1 . . . . 246 VAL CA . 6758 1 994 . 1 1 257 257 VAL CB C 13 34.37 0.31 . 1 . . . . 246 VAL CB . 6758 1 995 . 1 1 257 257 VAL N N 15 124.51 0.14 . 1 . . . . 246 VAL N . 6758 1 996 . 1 1 258 258 GLY H H 1 8.93 0.015 . 1 . . . . 247 GLY H . 6758 1 997 . 1 1 258 258 GLY C C 13 172.953 0.08 . 1 . . . . 247 GLY C . 6758 1 998 . 1 1 258 258 GLY CA C 13 43.87 0.31 . 1 . . . . 247 GLY CA . 6758 1 999 . 1 1 258 258 GLY N N 15 114.75 0.14 . 1 . . . . 247 GLY N . 6758 1 1000 . 1 1 259 259 VAL H H 1 8.93 0.015 . 1 . . . . 248 VAL H . 6758 1 1001 . 1 1 259 259 VAL C C 13 174.673 0.08 . 1 . . . . 248 VAL C . 6758 1 1002 . 1 1 259 259 VAL CA C 13 61.25 0.31 . 1 . . . . 248 VAL CA . 6758 1 1003 . 1 1 259 259 VAL CB C 13 34.07 0.31 . 1 . . . . 248 VAL CB . 6758 1 1004 . 1 1 259 259 VAL N N 15 123.52 0.14 . 1 . . . . 248 VAL N . 6758 1 1005 . 1 1 260 260 SER H H 1 8.46 0.015 . 1 . . . . 249 SER H . 6758 1 1006 . 1 1 260 260 SER C C 13 173.136 0.08 . 1 . . . . 249 SER C . 6758 1 1007 . 1 1 260 260 SER CA C 13 57.21 0.31 . 1 . . . . 249 SER CA . 6758 1 1008 . 1 1 260 260 SER CB C 13 65.97 0.31 . 1 . . . . 249 SER CB . 6758 1 1009 . 1 1 260 260 SER N N 15 118.85 0.14 . 1 . . . . 249 SER N . 6758 1 1010 . 1 1 261 261 ARG H H 1 8.66 0.015 . 1 . . . . 250 ARG H . 6758 1 1011 . 1 1 261 261 ARG C C 13 175.723 0.08 . 1 . . . . 250 ARG C . 6758 1 1012 . 1 1 261 261 ARG CA C 13 56.82 0.31 . 1 . . . . 250 ARG CA . 6758 1 1013 . 1 1 261 261 ARG CB C 13 30.68 0.31 . 1 . . . . 250 ARG CB . 6758 1 1014 . 1 1 261 261 ARG N N 15 121.4 0.14 . 1 . . . . 250 ARG N . 6758 1 1015 . 1 1 262 262 ARG H H 1 7.93 0.015 . 1 . . . . 251 ARG H . 6758 1 1016 . 1 1 262 262 ARG CA C 13 58.16 0.31 . 1 . . . . 251 ARG CA . 6758 1 1017 . 1 1 262 262 ARG CB C 13 31.42 0.31 . 1 . . . . 251 ARG CB . 6758 1 1018 . 1 1 262 262 ARG N N 15 130.02 0.14 . 1 . . . . 251 ARG N . 6758 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 211 6758 1 1 776 6758 1 1 896 6758 1 2 212 6758 1 2 216 6758 1 2 279 6758 1 2 899 6758 1 3 213 6758 1 3 282 6758 1 3 778 6758 1 3 829 6758 1 4 214 6758 1 4 280 6758 1 4 775 6758 1 4 827 6758 1 4 897 6758 1 5 215 6758 1 5 278 6758 1 5 281 6758 1 5 777 6758 1 5 828 6758 1 5 898 6758 1 6 217 6758 1 6 283 6758 1 6 779 6758 1 6 830 6758 1 6 900 6758 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 6758 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 599.7 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; HNOE measurements were measured by the steady-state m ethod, (????????) using standard water flip-back methods [Grzesiek, S., and Bax, A. (1993) J. Am. Chem. Soc. 115, 12594.]. Spectra were recorded as 128 x 512 complex matrices, with spectral widths of 8385 (1H) and 2200 (15N) Hz. Six sets of spectra were calculated with and without 1H saturation to allow for estimation of experimental uncertainties. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 7 2D_15N-{1H}-HNOE 1 $sample_1 isotropic 6758 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 6758 1 2 $software_2 . . 6758 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 12 12 ASP H H 1 . 1 1 12 12 ASP N N 15 0.816446825 0.056210884 . . . . . . . . . . 6758 1 2 . 1 1 13 13 LEU H H 1 . 1 1 13 13 LEU N N 15 0.797995813 0.117324552 . . . . . . . . . . 6758 1 3 . 1 1 16 16 PHE H H 1 . 1 1 16 16 PHE N N 15 0.465826195 0.038488546 . . . . . . . . . . 6758 1 4 . 1 1 17 17 ARG H H 1 . 1 1 17 17 ARG N N 15 0.648012793 0.093061092 . . . . . . . . . . 6758 1 5 . 1 1 18 18 VAL H H 1 . 1 1 18 18 VAL N N 15 0.879714288 0.022082199 . . . . . . . . . . 6758 1 6 . 1 1 19 19 ALA H H 1 . 1 1 19 19 ALA N N 15 0.746767723 0.060518201 . . . . . . . . . . 6758 1 7 . 1 1 20 20 THR H H 1 . 1 1 20 20 THR N N 15 0.542224678 0.061028379 . . . . . . . . . . 6758 1 8 . 1 1 21 21 TRP H H 1 . 1 1 21 21 TRP N N 15 1.070881646 0.067758647 . . . . . . . . . . 6758 1 9 . 1 1 23 23 LEU H H 1 . 1 1 23 23 LEU N N 15 0.681038177 0.109871049 . . . . . . . . . . 6758 1 10 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.710693644 0.157597216 . . . . . . . . . . 6758 1 11 . 1 1 27 27 SER H H 1 . 1 1 27 27 SER N N 15 0.68876627 0.041924162 . . . . . . . . . . 6758 1 12 . 1 1 29 29 THR H H 1 . 1 1 29 29 THR N N 15 0.815711918 0.054543361 . . . . . . . . . . 6758 1 13 . 1 1 35 35 ASN H H 1 . 1 1 35 35 ASN N N 15 0.636509777 0.065794274 . . . . . . . . . . 6758 1 14 . 1 1 41 41 LEU H H 1 . 1 1 41 41 LEU N N 15 0.562896346 0.029250373 . . . . . . . . . . 6758 1 15 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.863024172 0.067743399 . . . . . . . . . . 6758 1 16 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.852971099 0.05979209 . . . . . . . . . . 6758 1 17 . 1 1 44 44 GLY H H 1 . 1 1 44 44 GLY N N 15 0.569352874 0.081244102 . . . . . . . . . . 6758 1 18 . 1 1 45 45 GLU H H 1 . 1 1 45 45 GLU N N 15 0.460018277 0.040726308 . . . . . . . . . . 6758 1 19 . 1 1 46 46 ASN H H 1 . 1 1 46 46 ASN N N 15 0.794260146 0.164463916 . . . . . . . . . . 6758 1 20 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.658744722 0.036090413 . . . . . . . . . . 6758 1 21 . 1 1 49 49 ASP H H 1 . 1 1 49 49 ASP N N 15 0.943571033 0.112730593 . . . . . . . . . . 6758 1 22 . 1 1 50 50 ILE H H 1 . 1 1 50 50 ILE N N 15 0.595407636 0.043713447 . . . . . . . . . . 6758 1 23 . 1 1 51 51 LEU H H 1 . 1 1 51 51 LEU N N 15 0.736545162 0.115322883 . . . . . . . . . . 6758 1 24 . 1 1 52 52 ALA H H 1 . 1 1 52 52 ALA N N 15 0.608953581 0.048235832 . . . . . . . . . . 6758 1 25 . 1 1 53 53 VAL H H 1 . 1 1 53 53 VAL N N 15 0.677798883 0.027068206 . . . . . . . . . . 6758 1 26 . 1 1 55 55 GLU H H 1 . 1 1 55 55 GLU N N 15 0.49082917 0.03691833 . . . . . . . . . . 6758 1 27 . 1 1 56 56 ALA H H 1 . 1 1 56 56 ALA N N 15 0.97732785 0.061112252 . . . . . . . . . . 6758 1 28 . 1 1 62 62 THR H H 1 . 1 1 62 62 THR N N 15 0.68475485 0.035929859 . . . . . . . . . . 6758 1 29 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.773241308 0.112564382 . . . . . . . . . . 6758 1 30 . 1 1 64 64 VAL H H 1 . 1 1 64 64 VAL N N 15 0.808372784 0.048023688 . . . . . . . . . . 6758 1 31 . 1 1 65 65 ASP H H 1 . 1 1 65 65 ASP N N 15 0.572847998 0.049818952 . . . . . . . . . . 6758 1 32 . 1 1 66 66 THR H H 1 . 1 1 66 66 THR N N 15 0.972007887 0.074399831 . . . . . . . . . . 6758 1 33 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.687323359 0.070120664 . . . . . . . . . . 6758 1 34 . 1 1 68 68 ARG H H 1 . 1 1 68 68 ARG N N 15 0.761601369 0.036420885 . . . . . . . . . . 6758 1 35 . 1 1 69 69 VAL H H 1 . 1 1 69 69 VAL N N 15 0.840125292 0.052194279 . . . . . . . . . . 6758 1 36 . 1 1 70 70 ILE H H 1 . 1 1 70 70 ILE N N 15 1.07483769 0.064754124 . . . . . . . . . . 6758 1 37 . 1 1 72 72 SER H H 1 . 1 1 72 72 SER N N 15 0.692677961 0.038240682 . . . . . . . . . . 6758 1 38 . 1 1 74 74 GLY H H 1 . 1 1 74 74 GLY N N 15 0.472695165 0.017656809 . . . . . . . . . . 6758 1 39 . 1 1 75 75 ILE H H 1 . 1 1 75 75 ILE N N 15 0.625587332 0.108683244 . . . . . . . . . . 6758 1 40 . 1 1 78 78 ARG H H 1 . 1 1 78 78 ARG N N 15 1.158728093 0.09095966 . . . . . . . . . . 6758 1 41 . 1 1 79 79 GLU H H 1 . 1 1 79 79 GLU N N 15 0.653878105 0.089900637 . . . . . . . . . . 6758 1 42 . 1 1 80 80 LEU H H 1 . 1 1 80 80 LEU N N 15 0.865773174 0.125646408 . . . . . . . . . . 6758 1 43 . 1 1 84 84 LEU H H 1 . 1 1 84 84 LEU N N 15 0.564462056 0.096269847 . . . . . . . . . . 6758 1 44 . 1 1 85 85 SER H H 1 . 1 1 85 85 SER N N 15 0.516234437 0.029930657 . . . . . . . . . . 6758 1 45 . 1 1 86 86 THR H H 1 . 1 1 86 86 THR N N 15 0.591890589 0.0654021 . . . . . . . . . . 6758 1 46 . 1 1 89 89 ARG H H 1 . 1 1 89 89 ARG N N 15 0.588231713 0.050606322 . . . . . . . . . . 6758 1 47 . 1 1 91 91 GLN H H 1 . 1 1 91 91 GLN N N 15 0.515645149 0.057116876 . . . . . . . . . . 6758 1 48 . 1 1 92 92 GLN H H 1 . 1 1 92 92 GLN N N 15 0.525505964 0.061412937 . . . . . . . . . . 6758 1 49 . 1 1 96 96 TYR H H 1 . 1 1 96 96 TYR N N 15 0.538468605 0.059123981 . . . . . . . . . . 6758 1 50 . 1 1 100 100 VAL H H 1 . 1 1 100 100 VAL N N 15 0.936021322 0.059671077 . . . . . . . . . . 6758 1 51 . 1 1 101 101 ASP H H 1 . 1 1 101 101 ASP N N 15 0.649963906 0.106748598 . . . . . . . . . . 6758 1 52 . 1 1 103 103 LEU H H 1 . 1 1 103 103 LEU N N 15 0.326475692 0.020394514 . . . . . . . . . . 6758 1 53 . 1 1 104 104 GLY H H 1 . 1 1 104 104 GLY N N 15 0.50294481 0.038126897 . . . . . . . . . . 6758 1 54 . 1 1 105 105 GLY H H 1 . 1 1 105 105 GLY N N 15 0.65754386 0 . . . . . . . . . . 6758 1 55 . 1 1 107 107 VAL H H 1 . 1 1 107 107 VAL N N 15 0.634550125 0.109034473 . . . . . . . . . . 6758 1 56 . 1 1 111 111 LEU H H 1 . 1 1 111 111 LEU N N 15 0.71612146 0.126283101 . . . . . . . . . . 6758 1 57 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.588075364 0.061437109 . . . . . . . . . . 6758 1 58 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 1.204047037 0.103789702 . . . . . . . . . . 6758 1 59 . 1 1 116 116 ARG H H 1 . 1 1 116 116 ARG N N 15 0.797672545 0.047377524 . . . . . . . . . . 6758 1 60 . 1 1 117 117 ALA H H 1 . 1 1 117 117 ALA N N 15 0.528776904 0.080931544 . . . . . . . . . . 6758 1 61 . 1 1 118 118 ASP H H 1 . 1 1 118 118 ASP N N 15 0.646984709 0.056225251 . . . . . . . . . . 6758 1 62 . 1 1 119 119 GLU H H 1 . 1 1 119 119 GLU N N 15 0.81045183 0.021594932 . . . . . . . . . . 6758 1 63 . 1 1 120 120 VAL H H 1 . 1 1 120 120 VAL N N 15 0.593430037 0.054778878 . . . . . . . . . . 6758 1 64 . 1 1 121 121 PHE H H 1 . 1 1 121 121 PHE N N 15 0.642953627 0.066070392 . . . . . . . . . . 6758 1 65 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.742396383 0.043474021 . . . . . . . . . . 6758 1 66 . 1 1 123 123 LEU H H 1 . 1 1 123 123 LEU N N 15 0.721334077 0.040467795 . . . . . . . . . . 6758 1 67 . 1 1 124 124 SER H H 1 . 1 1 124 124 SER N N 15 0.691209335 0.031951198 . . . . . . . . . . 6758 1 68 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.589777598 0.061737351 . . . . . . . . . . 6758 1 69 . 1 1 127 127 ARG H H 1 . 1 1 127 127 ARG N N 15 0.736267716 0.026169044 . . . . . . . . . . 6758 1 70 . 1 1 128 128 GLN H H 1 . 1 1 128 128 GLN N N 15 0.824681151 0.109109957 . . . . . . . . . . 6758 1 71 . 1 1 130 130 GLY H H 1 . 1 1 130 130 GLY N N 15 0.608299762 0.019264444 . . . . . . . . . . 6758 1 72 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.729293268 0.092706213 . . . . . . . . . . 6758 1 73 . 1 1 133 133 LEU H H 1 . 1 1 133 133 LEU N N 15 0.663566411 0.066714465 . . . . . . . . . . 6758 1 74 . 1 1 134 134 LEU H H 1 . 1 1 134 134 LEU N N 15 0.630835455 0.047357948 . . . . . . . . . . 6758 1 75 . 1 1 135 135 GLY H H 1 . 1 1 135 135 GLY N N 15 0.894508003 0.080332503 . . . . . . . . . . 6758 1 76 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.728686898 0.105079988 . . . . . . . . . . 6758 1 77 . 1 1 138 138 ILE H H 1 . 1 1 138 138 ILE N N 15 0.899627417 0.059691771 . . . . . . . . . . 6758 1 78 . 1 1 139 139 GLY H H 1 . 1 1 139 139 GLY N N 15 0.885142891 0.123103143 . . . . . . . . . . 6758 1 79 . 1 1 140 140 ASN H H 1 . 1 1 140 140 ASN N N 15 0.848483793 0.057166005 . . . . . . . . . . 6758 1 80 . 1 1 142 142 ALA H H 1 . 1 1 142 142 ALA N N 15 0.737001578 0.051960777 . . . . . . . . . . 6758 1 81 . 1 1 143 143 PHE H H 1 . 1 1 143 143 PHE N N 15 0.95552304 0.060487054 . . . . . . . . . . 6758 1 82 . 1 1 144 144 PHE H H 1 . 1 1 144 144 PHE N N 15 0.847520735 0.156691588 . . . . . . . . . . 6758 1 83 . 1 1 145 145 THR H H 1 . 1 1 145 145 THR N N 15 0.816653577 0.056278428 . . . . . . . . . . 6758 1 84 . 1 1 146 146 ALA H H 1 . 1 1 146 146 ALA N N 15 0.741001799 0.053924846 . . . . . . . . . . 6758 1 85 . 1 1 147 147 HIS H H 1 . 1 1 147 147 HIS N N 15 0.924606733 0.044057568 . . . . . . . . . . 6758 1 86 . 1 1 148 148 ALA H H 1 . 1 1 148 148 ALA N N 15 0.51972687 0.049028622 . . . . . . . . . . 6758 1 87 . 1 1 149 149 ILE H H 1 . 1 1 149 149 ILE N N 15 0.610482523 0.048650229 . . . . . . . . . . 6758 1 88 . 1 1 150 150 ALA H H 1 . 1 1 150 150 ALA N N 15 1.097525024 0.072346383 . . . . . . . . . . 6758 1 89 . 1 1 151 151 MET H H 1 . 1 1 151 151 MET N N 15 0.765224291 0.032749228 . . . . . . . . . . 6758 1 90 . 1 1 152 152 ARG H H 1 . 1 1 152 152 ARG N N 15 0.733422937 0.081613189 . . . . . . . . . . 6758 1 91 . 1 1 153 153 ASN H H 1 . 1 1 153 153 ASN N N 15 0.773383697 0.063645088 . . . . . . . . . . 6758 1 92 . 1 1 154 154 ASN H H 1 . 1 1 154 154 ASN N N 15 0.944142312 0.059450137 . . . . . . . . . . 6758 1 93 . 1 1 155 155 ASP H H 1 . 1 1 155 155 ASP N N 15 0.665365173 0.045831323 . . . . . . . . . . 6758 1 94 . 1 1 156 156 ALA H H 1 . 1 1 156 156 ALA N N 15 0.804384931 0.049330818 . . . . . . . . . . 6758 1 95 . 1 1 158 158 ALA H H 1 . 1 1 158 158 ALA N N 15 0.840689049 0.054853952 . . . . . . . . . . 6758 1 96 . 1 1 159 159 LEU H H 1 . 1 1 159 159 LEU N N 15 0.845570892 0.02261012 . . . . . . . . . . 6758 1 97 . 1 1 160 160 VAL H H 1 . 1 1 160 160 VAL N N 15 0.610690316 0.054984709 . . . . . . . . . . 6758 1 98 . 1 1 161 161 GLU H H 1 . 1 1 161 161 GLU N N 15 0.582757424 0.053879249 . . . . . . . . . . 6758 1 99 . 1 1 162 162 GLU H H 1 . 1 1 162 162 GLU N N 15 0.835789227 0.046768135 . . . . . . . . . . 6758 1 100 . 1 1 163 163 VAL H H 1 . 1 1 163 163 VAL N N 15 0.639094358 0.056065787 . . . . . . . . . . 6758 1 101 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.815948639 0.033049738 . . . . . . . . . . 6758 1 102 . 1 1 167 167 PHE H H 1 . 1 1 167 167 PHE N N 15 0.82811742 0.057354092 . . . . . . . . . . 6758 1 103 . 1 1 168 168 ARG H H 1 . 1 1 168 168 ARG N N 15 0.925137729 0.047827737 . . . . . . . . . . 6758 1 104 . 1 1 169 169 ASP H H 1 . 1 1 169 169 ASP N N 15 0.63129354 0.040135929 . . . . . . . . . . 6758 1 105 . 1 1 170 170 SER H H 1 . 1 1 170 170 SER N N 15 0.853310662 0.059971265 . . . . . . . . . . 6758 1 106 . 1 1 171 171 ARG H H 1 . 1 1 171 171 ARG N N 15 0.84024859 0.060850923 . . . . . . . . . . 6758 1 107 . 1 1 172 172 ASP H H 1 . 1 1 172 172 ASP N N 15 0.767680254 0.057413854 . . . . . . . . . . 6758 1 108 . 1 1 174 174 VAL H H 1 . 1 1 174 174 VAL N N 15 0.891645533 0.060483121 . . . . . . . . . . 6758 1 109 . 1 1 176 176 GLN H H 1 . 1 1 176 176 GLN N N 15 1.12918654 0.067901318 . . . . . . . . . . 6758 1 110 . 1 1 177 177 ALA H H 1 . 1 1 177 177 ALA N N 15 0.727372957 0.064792376 . . . . . . . . . . 6758 1 111 . 1 1 178 178 LEU H H 1 . 1 1 178 178 LEU N N 15 0.645584786 0.047016413 . . . . . . . . . . 6758 1 112 . 1 1 179 179 ASN H H 1 . 1 1 179 179 ASN N N 15 0.665191439 0.074178845 . . . . . . . . . . 6758 1 113 . 1 1 180 180 TRP H H 1 . 1 1 180 180 TRP N N 15 0.823642314 0.0355951 . . . . . . . . . . 6758 1 114 . 1 1 181 181 MET H H 1 . 1 1 181 181 MET N N 15 1.035511807 0.104902858 . . . . . . . . . . 6758 1 115 . 1 1 182 182 ILE H H 1 . 1 1 182 182 ILE N N 15 0.773841435 0.088322388 . . . . . . . . . . 6758 1 116 . 1 1 183 183 LEU H H 1 . 1 1 183 183 LEU N N 15 0.741135674 0.086119493 . . . . . . . . . . 6758 1 117 . 1 1 184 184 GLY H H 1 . 1 1 184 184 GLY N N 15 0.923913408 0.06949045 . . . . . . . . . . 6758 1 118 . 1 1 185 185 ASP H H 1 . 1 1 185 185 ASP N N 15 0.762810573 0.121464917 . . . . . . . . . . 6758 1 119 . 1 1 186 186 PHE H H 1 . 1 1 186 186 PHE N N 15 0.67547175 0.084797898 . . . . . . . . . . 6758 1 120 . 1 1 188 188 ARG H H 1 . 1 1 188 188 ARG N N 15 0.755425567 0.109440756 . . . . . . . . . . 6758 1 121 . 1 1 189 189 GLU H H 1 . 1 1 189 189 GLU N N 15 0.695497159 0.044226875 . . . . . . . . . . 6758 1 122 . 1 1 191 191 ALA H H 1 . 1 1 191 191 ALA N N 15 0.921201569 0.049447898 . . . . . . . . . . 6758 1 123 . 1 1 192 192 ASP H H 1 . 1 1 192 192 ASP N N 15 0.581135788 0.05560608 . . . . . . . . . . 6758 1 124 . 1 1 193 193 LEU H H 1 . 1 1 193 193 LEU N N 15 0.656245654 0.035499299 . . . . . . . . . . 6758 1 125 . 1 1 194 194 GLU H H 1 . 1 1 194 194 GLU N N 15 0.966697967 0.035998824 . . . . . . . . . . 6758 1 126 . 1 1 195 195 MET H H 1 . 1 1 195 195 MET N N 15 1.081116124 0.045601262 . . . . . . . . . . 6758 1 127 . 1 1 196 196 ASN H H 1 . 1 1 196 196 ASN N N 15 0.614091635 0.048356559 . . . . . . . . . . 6758 1 128 . 1 1 198 198 THR H H 1 . 1 1 198 198 THR N N 15 0.541310222 0.078213038 . . . . . . . . . . 6758 1 129 . 1 1 199 199 VAL H H 1 . 1 1 199 199 VAL N N 15 0.496406084 0.068898359 . . . . . . . . . . 6758 1 130 . 1 1 202 202 ARG H H 1 . 1 1 202 202 ARG N N 15 0.552433834 0.087347879 . . . . . . . . . . 6758 1 131 . 1 1 205 205 SER H H 1 . 1 1 205 205 SER N N 15 0.68024186 0.104772313 . . . . . . . . . . 6758 1 132 . 1 1 206 206 GLU H H 1 . 1 1 206 206 GLU N N 15 0.270790018 0.033274298 . . . . . . . . . . 6758 1 133 . 1 1 208 208 ILE H H 1 . 1 1 208 208 ILE N N 15 0.784058192 0.098125178 . . . . . . . . . . 6758 1 134 . 1 1 212 212 ALA H H 1 . 1 1 212 212 ALA N N 15 0.878278032 0.134485046 . . . . . . . . . . 6758 1 135 . 1 1 222 222 ASP H H 1 . 1 1 222 222 ASP N N 15 0.692926783 0.033255612 . . . . . . . . . . 6758 1 136 . 1 1 223 223 TYR H H 1 . 1 1 223 223 TYR N N 15 1.055416069 0.061773447 . . . . . . . . . . 6758 1 137 . 1 1 224 224 ALA H H 1 . 1 1 224 224 ALA N N 15 0.927432624 0.071567924 . . . . . . . . . . 6758 1 138 . 1 1 225 225 VAL H H 1 . 1 1 225 225 VAL N N 15 0.604389489 0.060825393 . . . . . . . . . . 6758 1 139 . 1 1 226 226 ALA H H 1 . 1 1 226 226 ALA N N 15 1.124319874 0.051242839 . . . . . . . . . . 6758 1 140 . 1 1 227 227 GLY H H 1 . 1 1 227 227 GLY N N 15 1.046916875 0.083610003 . . . . . . . . . . 6758 1 141 . 1 1 228 228 ASN H H 1 . 1 1 228 228 ASN N N 15 0.910730858 0.054281022 . . . . . . . . . . 6758 1 142 . 1 1 230 230 VAL H H 1 . 1 1 230 230 VAL N N 15 0.662560425 0.063597892 . . . . . . . . . . 6758 1 143 . 1 1 231 231 ALA H H 1 . 1 1 231 231 ALA N N 15 1.068246021 0.082997306 . . . . . . . . . . 6758 1 144 . 1 1 232 232 PHE H H 1 . 1 1 232 232 PHE N N 15 0.62004721 0.044483585 . . . . . . . . . . 6758 1 145 . 1 1 233 233 ARG H H 1 . 1 1 233 233 ARG N N 15 1.105480883 0.106631515 . . . . . . . . . . 6758 1 146 . 1 1 235 235 SER H H 1 . 1 1 235 235 SER N N 15 0.532350592 0.079219963 . . . . . . . . . . 6758 1 147 . 1 1 237 237 LEU H H 1 . 1 1 237 237 LEU N N 15 0.792120106 0.090003466 . . . . . . . . . . 6758 1 148 . 1 1 238 238 GLN H H 1 . 1 1 238 238 GLN N N 15 0.639443167 0.036634172 . . . . . . . . . . 6758 1 149 . 1 1 239 239 ALA H H 1 . 1 1 239 239 ALA N N 15 0.895684237 0.039439207 . . . . . . . . . . 6758 1 150 . 1 1 240 240 GLY H H 1 . 1 1 240 240 GLY N N 15 0.932923498 0.080426256 . . . . . . . . . . 6758 1 151 . 1 1 241 241 ILE H H 1 . 1 1 241 241 ILE N N 15 0.711537804 0.04767282 . . . . . . . . . . 6758 1 152 . 1 1 242 242 VAL H H 1 . 1 1 242 242 VAL N N 15 0.889285805 0.121863596 . . . . . . . . . . 6758 1 153 . 1 1 243 243 TYR H H 1 . 1 1 243 243 TYR N N 15 0.387521908 0.057035057 . . . . . . . . . . 6758 1 154 . 1 1 244 244 GLY H H 1 . 1 1 244 244 GLY N N 15 0.558896558 0.035498121 . . . . . . . . . . 6758 1 155 . 1 1 246 246 ARG H H 1 . 1 1 246 246 ARG N N 15 0.675314156 0.04341416 . . . . . . . . . . 6758 1 156 . 1 1 247 247 ARG H H 1 . 1 1 247 247 ARG N N 15 0.506667965 0.031587496 . . . . . . . . . . 6758 1 157 . 1 1 248 248 THR H H 1 . 1 1 248 248 THR N N 15 0.581948365 0.070973329 . . . . . . . . . . 6758 1 158 . 1 1 249 249 GLN H H 1 . 1 1 249 249 GLN N N 15 0.464122904 0.018671246 . . . . . . . . . . 6758 1 159 . 1 1 250 250 ILE H H 1 . 1 1 250 250 ILE N N 15 0.353053091 0.044896928 . . . . . . . . . . 6758 1 160 . 1 1 251 251 SER H H 1 . 1 1 251 251 SER N N 15 0.910973269 0.23383137 . . . . . . . . . . 6758 1 161 . 1 1 252 252 SER H H 1 . 1 1 252 252 SER N N 15 0.584284466 0.066851307 . . . . . . . . . . 6758 1 162 . 1 1 253 253 ASP H H 1 . 1 1 253 253 ASP N N 15 0.51577704 0.017094253 . . . . . . . . . . 6758 1 163 . 1 1 255 255 PHE H H 1 . 1 1 255 255 PHE N N 15 0.75429954 0.064729437 . . . . . . . . . . 6758 1 164 . 1 1 257 257 VAL H H 1 . 1 1 257 257 VAL N N 15 1.044316163 0.045264278 . . . . . . . . . . 6758 1 165 . 1 1 258 258 GLY H H 1 . 1 1 258 258 GLY N N 15 0.90554735 0.049020949 . . . . . . . . . . 6758 1 166 . 1 1 259 259 VAL H H 1 . 1 1 259 259 VAL N N 15 0.838470076 0.056896941 . . . . . . . . . . 6758 1 167 . 1 1 260 260 SER H H 1 . 1 1 260 260 SER N N 15 0.67449899 0.043266595 . . . . . . . . . . 6758 1 168 . 1 1 261 261 ARG H H 1 . 1 1 261 261 ARG N N 15 1.182189421 0.064082523 . . . . . . . . . . 6758 1 169 . 1 1 262 262 ARG H H 1 . 1 1 262 262 ARG N N 15 0.55175365 0.05416986 . . . . . . . . . . 6758 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 6758 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 599.7 _Heteronucl_T1_list.T1_coherence_type 'single quantum' _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details ; 15N longitudinal T1 relaxation times were measured by the inversion-recovery method (????????) using standard water flip-back methods [Grzesiek, S., and Bax, A. (1993) J. Am. Chem. Soc. 115, 12594.]. Spectra was recorded as 128 x 512 complex matrices, with spectral widths of 8385 (1H) and 2200 (15N) Hz, with 16 scans per FID. Relaxation delays collected were: 0.03, 0.05, 0.07, 0.09, 0.20, 0.50, 0.70, 1.0, 1.3, 1.6 s. Duplicate spectra were recorded for 0.03 and 0.05 s to estimate the precision of peak intensities. ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 2D_1H-15N_HSQC_(T1_flag) 1 $sample_1 isotropic 6758 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 6758 1 2 $software_2 . . 6758 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 ASP N N 15 0.833402784 0.00686274 . . . . . 6758 1 2 . 1 1 13 13 LEU N N 15 0.579743753 0.007351885 . . . . . 6758 1 3 . 1 1 16 16 PHE N N 15 1.063829787 0.011554663 . . . . . 6758 1 4 . 1 1 17 17 ARG N N 15 1.065076153 0.021644125 . . . . . 6758 1 5 . 1 1 18 18 VAL N N 15 0.987459267 0.010544725 . . . . . 6758 1 6 . 1 1 19 19 ALA N N 15 0.965903603 0.007901052 . . . . . 6758 1 7 . 1 1 20 20 THR N N 15 0.962278676 0.01380722 . . . . . 6758 1 8 . 1 1 21 21 TRP N N 15 0.954289531 0.053774985 . . . . . 6758 1 9 . 1 1 23 23 LEU N N 15 0.924812725 0.012482241 . . . . . 6758 1 10 . 1 1 25 25 GLY N N 15 1.072156106 0.06537091 . . . . . 6758 1 11 . 1 1 29 29 THR N N 15 0.956388676 0.01326128 . . . . . 6758 1 12 . 1 1 35 35 ASN N N 15 1.065984437 0.039598759 . . . . . 6758 1 13 . 1 1 36 36 ILE N N 15 0.991866693 0.007433797 . . . . . 6758 1 14 . 1 1 41 41 LEU N N 15 0.952925481 0.005571595 . . . . . 6758 1 15 . 1 1 42 42 ILE N N 15 0.981257973 0.092164097 . . . . . 6758 1 16 . 1 1 43 43 SER N N 15 1.01461039 0.010715151 . . . . . 6758 1 17 . 1 1 44 44 GLY N N 15 0.859328005 0.018403935 . . . . . 6758 1 18 . 1 1 45 45 GLU N N 15 0.988630746 0.006097195 . . . . . 6758 1 19 . 1 1 46 46 ASN N N 15 1.067235859 0.00791735 . . . . . 6758 1 20 . 1 1 47 47 ALA N N 15 1.02124183 0.007247319 . . . . . 6758 1 21 . 1 1 49 49 ASP N N 15 1.018848701 0.01112349 . . . . . 6758 1 22 . 1 1 50 50 ILE N N 15 1.053962901 0.00603286 . . . . . 6758 1 23 . 1 1 51 51 LEU N N 15 0.998103603 0.018466489 . . . . . 6758 1 24 . 1 1 52 52 ALA N N 15 0.835770999 0.023114168 . . . . . 6758 1 25 . 1 1 53 53 VAL N N 15 1.019160212 0.013044577 . . . . . 6758 1 26 . 1 1 55 55 GLU N N 15 1.007049345 0.008901076 . . . . . 6758 1 27 . 1 1 56 56 ALA N N 15 1.00532824 0.009179217 . . . . . 6758 1 28 . 1 1 62 62 THR N N 15 0.964971533 0.0168645 . . . . . 6758 1 29 . 1 1 63 63 ALA N N 15 0.958956655 0.000920481 . . . . . 6758 1 30 . 1 1 64 64 VAL N N 15 1.090631476 0.012755924 . . . . . 6758 1 31 . 1 1 65 65 ASP N N 15 1.076194576 0.006408001 . . . . . 6758 1 32 . 1 1 66 66 THR N N 15 0.690894017 0.010712662 . . . . . 6758 1 33 . 1 1 67 67 GLY N N 15 0.969367972 0.00292177 . . . . . 6758 1 34 . 1 1 68 68 ARG N N 15 0.914829384 0.007254525 . . . . . 6758 1 35 . 1 1 69 69 VAL N N 15 1.013993105 0.011647921 . . . . . 6758 1 36 . 1 1 70 70 ILE N N 15 1.096852035 0.023721699 . . . . . 6758 1 37 . 1 1 72 72 SER N N 15 0.968616815 0.006802615 . . . . . 6758 1 38 . 1 1 74 74 GLY N N 15 0.855871277 0.005084384 . . . . . 6758 1 39 . 1 1 75 75 ILE N N 15 0.986874568 0.016839173 . . . . . 6758 1 40 . 1 1 78 78 ARG N N 15 0.971817298 0.002841571 . . . . . 6758 1 41 . 1 1 79 79 GLU N N 15 1.023646228 0.014236491 . . . . . 6758 1 42 . 1 1 80 80 LEU N N 15 0.964227172 0.024990357 . . . . . 6758 1 43 . 1 1 81 81 ILE N N 15 1.579030475 0.039092502 . . . . . 6758 1 44 . 1 1 84 84 LEU N N 15 0.988728495 0.012773758 . . . . . 6758 1 45 . 1 1 85 85 SER N N 15 0.883002208 0.017817538 . . . . . 6758 1 46 . 1 1 86 86 THR N N 15 0.950931913 0.03380467 . . . . . 6758 1 47 . 1 1 89 89 ARG N N 15 0.928160386 0.012661893 . . . . . 6758 1 48 . 1 1 91 91 GLN N N 15 0.961168781 0.015966259 . . . . . 6758 1 49 . 1 1 92 92 GLN N N 15 0.993245928 0.013397922 . . . . . 6758 1 50 . 1 1 96 96 TYR N N 15 0.968616815 0.007945685 . . . . . 6758 1 51 . 1 1 100 100 VAL N N 15 0.952653139 0.024100133 . . . . . 6758 1 52 . 1 1 101 101 ASP N N 15 1.038745196 0.049630947 . . . . . 6758 1 53 . 1 1 103 103 LEU N N 15 0.933706816 0.004291496 . . . . . 6758 1 54 . 1 1 104 104 GLY N N 15 0.965903603 0.02596309 . . . . . 6758 1 55 . 1 1 105 105 GLY N N 15 1.070778456 0.016887413 . . . . . 6758 1 56 . 1 1 107 107 VAL N N 15 1.136363636 0.009374219 . . . . . 6758 1 57 . 1 1 111 111 LEU N N 15 1.098659635 0.010971967 . . . . . 6758 1 58 . 1 1 112 112 VAL N N 15 1.128286133 0.06774305 . . . . . 6758 1 59 . 1 1 113 113 SER N N 15 1.102414287 0.081157733 . . . . . 6758 1 60 . 1 1 114 114 ASN N N 15 0.795038957 0.01154275 . . . . . 6758 1 61 . 1 1 116 116 ARG N N 15 1.019160212 0.026755487 . . . . . 6758 1 62 . 1 1 117 117 ALA N N 15 0.863930886 0.015267286 . . . . . 6758 1 63 . 1 1 118 118 ASP N N 15 0.943930527 0.007182275 . . . . . 6758 1 64 . 1 1 119 119 GLU N N 15 0.960522524 0.004262811 . . . . . 6758 1 65 . 1 1 120 120 VAL N N 15 1.020408163 0.002191285 . . . . . 6758 1 66 . 1 1 121 121 PHE N N 15 0.975514584 0.011359984 . . . . . 6758 1 67 . 1 1 122 122 VAL N N 15 1.06621175 0.007786747 . . . . . 6758 1 68 . 1 1 123 123 LEU N N 15 0.97713504 0.012278238 . . . . . 6758 1 69 . 1 1 124 124 SER N N 15 0.324949633 0.001272067 . . . . . 6758 1 70 . 1 1 126 126 VAL N N 15 0.923275782 0.025670887 . . . . . 6758 1 71 . 1 1 127 127 ARG N N 15 0.958956655 0.004063376 . . . . . 6758 1 72 . 1 1 128 128 GLN N N 15 1.038421599 0.012329688 . . . . . 6758 1 73 . 1 1 129 129 GLY N N 15 1.03820598 0.002593354 . . . . . 6758 1 74 . 1 1 130 130 GLY N N 15 0.951565325 0.011733009 . . . . . 6758 1 75 . 1 1 131 131 ARG N N 15 1.090988436 0.033870957 . . . . . 6758 1 76 . 1 1 133 133 LEU N N 15 0.971439674 0.009625763 . . . . . 6758 1 77 . 1 1 134 134 LEU N N 15 1.025115325 0.002845201 . . . . . 6758 1 78 . 1 1 135 135 GLY N N 15 0.975800156 0.003056539 . . . . . 6758 1 79 . 1 1 136 136 ILE N N 15 1.170411985 0.027192805 . . . . . 6758 1 80 . 1 1 138 138 ILE N N 15 0.667200427 0.005294529 . . . . . 6758 1 81 . 1 1 139 139 GLY N N 15 1.02207686 0.015159941 . . . . . 6758 1 82 . 1 1 140 140 ASN N N 15 0.992260369 0.003061618 . . . . . 6758 1 83 . 1 1 142 142 ALA N N 15 0.995123893 0.004876107 . . . . . 6758 1 84 . 1 1 143 143 PHE N N 15 0.659413122 0.002531671 . . . . . 6758 1 85 . 1 1 145 145 THR N N 15 1.031459515 0.014784469 . . . . . 6758 1 86 . 1 1 146 146 ALA N N 15 0.990982063 0.012026964 . . . . . 6758 1 87 . 1 1 147 147 HIS N N 15 0.970120295 0.012197976 . . . . . 6758 1 88 . 1 1 148 148 ALA N N 15 0.984348853 0.009785753 . . . . . 6758 1 89 . 1 1 149 149 ILE N N 15 1.051193104 0.016726588 . . . . . 6758 1 90 . 1 1 150 150 ALA N N 15 0.934230194 0.003768117 . . . . . 6758 1 91 . 1 1 151 151 MET N N 15 1.052299274 0.005454058 . . . . . 6758 1 92 . 1 1 152 152 ARG N N 15 1.100231049 0.016463536 . . . . . 6758 1 93 . 1 1 153 153 ASN N N 15 1.011838511 0.016544871 . . . . . 6758 1 94 . 1 1 154 154 ASN N N 15 0.994332306 0.01140037 . . . . . 6758 1 95 . 1 1 155 155 ASP N N 15 1.020304051 0.010623784 . . . . . 6758 1 96 . 1 1 156 156 ALA N N 15 0.957212597 0.011685766 . . . . . 6758 1 97 . 1 1 158 158 ALA N N 15 0.945984297 0.004766797 . . . . . 6758 1 98 . 1 1 159 159 LEU N N 15 0.967305088 0.005646848 . . . . . 6758 1 99 . 1 1 160 160 VAL N N 15 0.986582478 0.006466181 . . . . . 6758 1 100 . 1 1 161 161 GLU N N 15 0.964506173 0.008824565 . . . . . 6758 1 101 . 1 1 162 162 GLU N N 15 0.920471281 0.006055171 . . . . . 6758 1 102 . 1 1 163 163 VAL N N 15 0.947687642 0.006875168 . . . . . 6758 1 103 . 1 1 164 164 TYR N N 15 0.944376239 0.005652261 . . . . . 6758 1 104 . 1 1 165 165 ASN N N 15 0.926526452 0.00910229 . . . . . 6758 1 105 . 1 1 167 167 PHE N N 15 0.949577438 0.013535342 . . . . . 6758 1 106 . 1 1 168 168 ARG N N 15 0.997904401 0.00289624 . . . . . 6758 1 107 . 1 1 169 169 ASP N N 15 0.996611521 0.005492898 . . . . . 6758 1 108 . 1 1 170 170 SER N N 15 0.92945441 0.003120429 . . . . . 6758 1 109 . 1 1 171 171 ARG N N 15 1.01853738 0.016123768 . . . . . 6758 1 110 . 1 1 172 172 ASP N N 15 0.988826263 0.005209522 . . . . . 6758 1 111 . 1 1 174 174 VAL N N 15 0.93676815 0.006806109 . . . . . 6758 1 112 . 1 1 176 176 GLN N N 15 0.922594335 0.003417332 . . . . . 6758 1 113 . 1 1 177 177 ALA N N 15 0.971250971 0.010874348 . . . . . 6758 1 114 . 1 1 178 178 LEU N N 15 0.947059381 0.006866022 . . . . . 6758 1 115 . 1 1 179 179 ASN N N 15 0.997207818 0.008423718 . . . . . 6758 1 116 . 1 1 180 180 TRP N N 15 0.966744006 0.016927054 . . . . . 6758 1 117 . 1 1 181 181 MET N N 15 0.977517107 0.005573731 . . . . . 6758 1 118 . 1 1 182 182 ILE N N 15 0.995123893 0.006679353 . . . . . 6758 1 119 . 1 1 183 183 LEU N N 15 0.985221675 0.005662194 . . . . . 6758 1 120 . 1 1 184 184 GLY N N 15 0.9765625 0.006238483 . . . . . 6758 1 121 . 1 1 185 185 ASP N N 15 1 0.003613007 . . . . . 6758 1 122 . 1 1 186 186 PHE N N 15 0.990393186 0.012414676 . . . . . 6758 1 123 . 1 1 188 188 ARG N N 15 0.961168781 0.006042748 . . . . . 6758 1 124 . 1 1 189 189 GLU N N 15 0.944554642 0.0060157 . . . . . 6758 1 125 . 1 1 191 191 ALA N N 15 0.98000784 0.008720655 . . . . . 6758 1 126 . 1 1 192 192 ASP N N 15 0.979911808 0.006768014 . . . . . 6758 1 127 . 1 1 193 193 LEU N N 15 0.968710646 0.009858686 . . . . . 6758 1 128 . 1 1 194 194 GLU N N 15 0.985804416 0.01992826 . . . . . 6758 1 129 . 1 1 195 195 MET N N 15 0.982607841 0.01073675 . . . . . 6758 1 130 . 1 1 196 196 ASN N N 15 1.03626943 0.012498268 . . . . . 6758 1 131 . 1 1 198 198 THR N N 15 0.859401856 0.006698958 . . . . . 6758 1 132 . 1 1 199 199 VAL N N 15 0.885818053 0.008076646 . . . . . 6758 1 133 . 1 1 202 202 ARG N N 15 1.099989 0.037149958 . . . . . 6758 1 134 . 1 1 203 203 ARG N N 15 0.990982063 0.008418297 . . . . . 6758 1 135 . 1 1 204 204 ALA N N 15 0.945537065 0.012868149 . . . . . 6758 1 136 . 1 1 205 205 SER N N 15 0.989119683 0.01328609 . . . . . 6758 1 137 . 1 1 206 206 GLU N N 15 0.974089227 0.00161572 . . . . . 6758 1 138 . 1 1 207 207 ILE N N 15 0.73313783 0.005687438 . . . . . 6758 1 139 . 1 1 208 208 ILE N N 15 0.87009484 0.008639782 . . . . . 6758 1 140 . 1 1 211 211 ALA N N 15 0.975704947 0.023895213 . . . . . 6758 1 141 . 1 1 213 213 ALA N N 15 0.90983532 0.005831744 . . . . . 6758 1 142 . 1 1 214 214 THR N N 15 0.951927653 0.022161573 . . . . . 6758 1 143 . 1 1 216 216 THR N N 15 0.891186169 0.006157693 . . . . . 6758 1 144 . 1 1 219 219 ARG N N 15 0.950118765 0.104733556 . . . . . 6758 1 145 . 1 1 222 222 ASP N N 15 0.960522524 0.004169739 . . . . . 6758 1 146 . 1 1 223 223 TYR N N 15 0.929713648 0.010931634 . . . . . 6758 1 147 . 1 1 224 224 ALA N N 15 0.973899494 0.006204397 . . . . . 6758 1 148 . 1 1 225 225 VAL N N 15 0.964041261 0.007115387 . . . . . 6758 1 149 . 1 1 226 226 ALA N N 15 0.918526683 0.013700407 . . . . . 6758 1 150 . 1 1 227 227 GLY N N 15 0.957670944 0.019655092 . . . . . 6758 1 151 . 1 1 228 228 ASN N N 15 0.930838686 0.002606661 . . . . . 6758 1 152 . 1 1 230 230 VAL N N 15 0.885661146 0.00767457 . . . . . 6758 1 153 . 1 1 231 231 ALA N N 15 0.998502247 0.020346454 . . . . . 6758 1 154 . 1 1 232 232 PHE N N 15 1.035089535 0.007119949 . . . . . 6758 1 155 . 1 1 233 233 ARG N N 15 0.917431193 0.009438767 . . . . . 6758 1 156 . 1 1 235 235 SER N N 15 1.02574623 0.036840105 . . . . . 6758 1 157 . 1 1 237 237 LEU N N 15 0.983574309 0.007604202 . . . . . 6758 1 158 . 1 1 238 238 GLN N N 15 0.978665101 0.00636248 . . . . . 6758 1 159 . 1 1 239 239 ALA N N 15 1.019887812 0.007228046 . . . . . 6758 1 160 . 1 1 240 240 GLY N N 15 0.986485153 0.010225701 . . . . . 6758 1 161 . 1 1 241 241 ILE N N 15 0.991571641 0.01365554 . . . . . 6758 1 162 . 1 1 242 242 VAL N N 15 0.956205775 0.012786473 . . . . . 6758 1 163 . 1 1 243 243 TYR N N 15 0.864378944 0.006473621 . . . . . 6758 1 164 . 1 1 244 244 GLY N N 15 0.806776926 0.006694155 . . . . . 6758 1 165 . 1 1 246 246 ARG N N 15 0.924299843 0.00550025 . . . . . 6758 1 166 . 1 1 247 247 ARG N N 15 0.839560071 0.005605582 . . . . . 6758 1 167 . 1 1 248 248 THR N N 15 0.854189801 0.00854853 . . . . . 6758 1 168 . 1 1 249 249 GLN N N 15 0.879120879 0.004505524 . . . . . 6758 1 169 . 1 1 250 250 ILE N N 15 0.835701153 0.004282047 . . . . . 6758 1 170 . 1 1 251 251 SER N N 15 0.833611204 0.006866187 . . . . . 6758 1 171 . 1 1 252 252 SER N N 15 0.934666791 0.014730342 . . . . . 6758 1 172 . 1 1 255 255 PHE N N 15 1.060670344 0.005996323 . . . . . 6758 1 173 . 1 1 257 257 VAL N N 15 0.905633037 0.018154491 . . . . . 6758 1 174 . 1 1 258 258 GLY N N 15 0.987751877 0.013449565 . . . . . 6758 1 175 . 1 1 259 259 VAL N N 15 1.047449461 0.013333397 . . . . . 6758 1 176 . 1 1 260 260 SER N N 15 0.982800983 0.009459386 . . . . . 6758 1 177 . 1 1 261 261 ARG N N 15 0.900414191 0.007768536 . . . . . 6758 1 178 . 1 1 262 262 ARG N N 15 0.845308538 0.006843145 . . . . . 6758 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 6758 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 599.7 _Heteronucl_T2_list.T2_coherence_type 'single quantum' _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s _Heteronucl_T2_list.Details ; 15N transverse T2 relaxation times were measured by the Carr-Purcell-Meiboom-Gill method (????????), using standard water flip-back methods [Grzesiek, S., and Bax, A. (1993) J. Am. Chem. Soc. 115, 12594.]. Spectra was recorded as 128 x 512 complex matrices, with spectral widths of 8385 (1H) and 2200 (15N) Hz, with 16 scans per FID. Relaxation delays collected were: 0.01, 0.03, 0.05, 0.07, 0.09, 0.11, 0.13, 0.15, 0.19, 0.21 s. Duplicate spectra were recorded for 0.01, 0.03 and 0.05 s to estimate the precision of peak intensities. ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 2D_1H-15N_HSQC_(T2_flag) 1 $sample_1 isotropic 6758 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 6758 1 2 $software_2 . . 6758 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 12 12 ASP N N 15 0.08807236 0.001711978 . . . . . . . 6758 1 2 . 1 1 13 13 LEU N N 15 0.089688512 0.002127892 . . . . . . . 6758 1 3 . 1 1 16 16 PHE N N 15 0.066338952 0.002519715 . . . . . . . 6758 1 4 . 1 1 17 17 ARG N N 15 0.066331912 0.001770815 . . . . . . . 6758 1 5 . 1 1 18 18 VAL N N 15 0.065505473 0.001707862 . . . . . . . 6758 1 6 . 1 1 19 19 ALA N N 15 0.067892811 0.000885818 . . . . . . . 6758 1 7 . 1 1 20 20 THR N N 15 0.07446959 0.001949123 . . . . . . . 6758 1 8 . 1 1 21 21 TRP N N 15 0.068281292 0.001245233 . . . . . . . 6758 1 9 . 1 1 23 23 LEU N N 15 0.166184731 0.005884923 . . . . . . . 6758 1 10 . 1 1 27 27 SER N N 15 0.060214121 0.001708451 . . . . . . . 6758 1 11 . 1 1 29 29 THR N N 15 0.079291452 0.000898438 . . . . . . . 6758 1 12 . 1 1 35 35 ASN N N 15 0.149637876 0.015087773 . . . . . . . 6758 1 13 . 1 1 36 36 ILE N N 15 0.307285745 0.029380585 . . . . . . . 6758 1 14 . 1 1 41 41 LEU N N 15 0.068901842 0.000880854 . . . . . . . 6758 1 15 . 1 1 42 42 ILE N N 15 0.080729797 0.002871758 . . . . . . . 6758 1 16 . 1 1 43 43 SER N N 15 0.070944628 0.001874264 . . . . . . . 6758 1 17 . 1 1 44 44 GLY N N 15 0.094982998 0.001812116 . . . . . . . 6758 1 18 . 1 1 45 45 GLU N N 15 0.081087217 0.002190597 . . . . . . . 6758 1 19 . 1 1 46 46 ASN N N 15 0.081977964 0.003351364 . . . . . . . 6758 1 20 . 1 1 47 47 ALA N N 15 0.195805839 0.00750818 . . . . . . . 6758 1 21 . 1 1 49 49 ASP N N 15 0.063706441 0.003212734 . . . . . . . 6758 1 22 . 1 1 50 50 ILE N N 15 0.070869713 0.001960847 . . . . . . . 6758 1 23 . 1 1 51 51 LEU N N 15 0.078386492 0.001311929 . . . . . . . 6758 1 24 . 1 1 52 52 ALA N N 15 0.186015365 0.00782065 . . . . . . . 6758 1 25 . 1 1 53 53 VAL N N 15 0.092935939 0.00193262 . . . . . . . 6758 1 26 . 1 1 55 55 GLU N N 15 0.069431908 0.0012185 . . . . . . . 6758 1 27 . 1 1 56 56 ALA N N 15 0.072778085 0.001709811 . . . . . . . 6758 1 28 . 1 1 62 62 THR N N 15 0.075640104 0.001886487 . . . . . . . 6758 1 29 . 1 1 63 63 ALA N N 15 0.070589564 0.001545415 . . . . . . . 6758 1 30 . 1 1 64 64 VAL N N 15 0.07160195 0.001120562 . . . . . . . 6758 1 31 . 1 1 65 65 ASP N N 15 0.069315441 0.001373922 . . . . . . . 6758 1 32 . 1 1 66 66 THR N N 15 0.070383874 0.002042632 . . . . . . . 6758 1 33 . 1 1 67 67 GLY N N 15 0.066601841 0.002720808 . . . . . . . 6758 1 34 . 1 1 68 68 ARG N N 15 0.071415309 0.000976068 . . . . . . . 6758 1 35 . 1 1 69 69 VAL N N 15 0.070678871 0.001465476 . . . . . . . 6758 1 36 . 1 1 70 70 ILE N N 15 0.072137581 0.00127739 . . . . . . . 6758 1 37 . 1 1 72 72 SER N N 15 0.055565434 0.000409624 . . . . . . . 6758 1 38 . 1 1 74 74 GLY N N 15 0.104101603 0.001846313 . . . . . . . 6758 1 39 . 1 1 75 75 ILE N N 15 0.057685763 0.000943256 . . . . . . . 6758 1 40 . 1 1 78 78 ARG N N 15 0.074584008 0.001554839 . . . . . . . 6758 1 41 . 1 1 79 79 GLU N N 15 0.07181999 0.002603599 . . . . . . . 6758 1 42 . 1 1 80 80 LEU N N 15 0.06652342 0.002934048 . . . . . . . 6758 1 43 . 1 1 81 81 ILE N N 15 0.196463654 0.036305602 . . . . . . . 6758 1 44 . 1 1 84 84 LEU N N 15 0.082231432 0.002412471 . . . . . . . 6758 1 45 . 1 1 85 85 SER N N 15 0.124183494 0.004347907 . . . . . . . 6758 1 46 . 1 1 86 86 THR N N 15 0.093116806 0.002457164 . . . . . . . 6758 1 47 . 1 1 89 89 ARG N N 15 0.106564365 0.001881391 . . . . . . . 6758 1 48 . 1 1 91 91 GLN N N 15 0.100687697 0.00176817 . . . . . . . 6758 1 49 . 1 1 92 92 GLN N N 15 0.077987304 0.001375886 . . . . . . . 6758 1 50 . 1 1 96 96 TYR N N 15 0.063358909 0.00308804 . . . . . . . 6758 1 51 . 1 1 100 100 VAL N N 15 0.086428929 0.002350268 . . . . . . . 6758 1 52 . 1 1 101 101 ASP N N 15 0.065453593 0.006084329 . . . . . . . 6758 1 53 . 1 1 103 103 LEU N N 15 0.106884426 0.000837049 . . . . . . . 6758 1 54 . 1 1 104 104 GLY N N 15 0.067407702 0.001924078 . . . . . . . 6758 1 55 . 1 1 105 105 GLY N N 15 0.103942541 0.005449894 . . . . . . . 6758 1 56 . 1 1 107 107 VAL N N 15 0.073850335 0.001359123 . . . . . . . 6758 1 57 . 1 1 111 111 LEU N N 15 0.072835864 0.003697481 . . . . . . . 6758 1 58 . 1 1 112 112 VAL N N 15 0.095336155 0.00309001 . . . . . . . 6758 1 59 . 1 1 113 113 SER N N 15 0.069980475 0.002279603 . . . . . . . 6758 1 60 . 1 1 114 114 ASN N N 15 0.064511551 0.004770274 . . . . . . . 6758 1 61 . 1 1 116 116 ARG N N 15 0.068900418 0.001005209 . . . . . . . 6758 1 62 . 1 1 117 117 ALA N N 15 0.125903357 0.006375275 . . . . . . . 6758 1 63 . 1 1 118 118 ASP N N 15 0.06622999 0.001528951 . . . . . . . 6758 1 64 . 1 1 119 119 GLU N N 15 0.074082305 0.001572105 . . . . . . . 6758 1 65 . 1 1 120 120 VAL N N 15 0.082444309 0.000994018 . . . . . . . 6758 1 66 . 1 1 121 121 PHE N N 15 0.07090338 0.001532044 . . . . . . . 6758 1 67 . 1 1 122 122 VAL N N 15 0.077364651 0.000757298 . . . . . . . 6758 1 68 . 1 1 123 123 LEU N N 15 0.069618975 0.001707701 . . . . . . . 6758 1 69 . 1 1 124 124 SER N N 15 0.080119217 0.00176544 . . . . . . . 6758 1 70 . 1 1 126 126 VAL N N 15 0.074614616 0.001684569 . . . . . . . 6758 1 71 . 1 1 127 127 ARG N N 15 0.066545111 0.001162447 . . . . . . . 6758 1 72 . 1 1 128 128 GLN N N 15 0.078883016 0.001482163 . . . . . . . 6758 1 73 . 1 1 129 129 GLY N N 15 0.066778409 0.000803771 . . . . . . . 6758 1 74 . 1 1 130 130 GLY N N 15 0.082878881 0.001979067 . . . . . . . 6758 1 75 . 1 1 131 131 ARG N N 15 0.069640793 0.002252001 . . . . . . . 6758 1 76 . 1 1 133 133 LEU N N 15 0.070157222 0.001264717 . . . . . . . 6758 1 77 . 1 1 134 134 LEU N N 15 0.077332942 0.001652881 . . . . . . . 6758 1 78 . 1 1 135 135 GLY N N 15 0.062151177 0.003194634 . . . . . . . 6758 1 79 . 1 1 136 136 ILE N N 15 0.068194682 0.001744191 . . . . . . . 6758 1 80 . 1 1 138 138 ILE N N 15 0.069145773 0.001233147 . . . . . . . 6758 1 81 . 1 1 139 139 GLY N N 15 0.067605939 0.002082901 . . . . . . . 6758 1 82 . 1 1 140 140 ASN N N 15 0.07182257 0.001472406 . . . . . . . 6758 1 83 . 1 1 142 142 ALA N N 15 0.072631136 0.00147972 . . . . . . . 6758 1 84 . 1 1 143 143 PHE N N 15 0.070322004 0.002780617 . . . . . . . 6758 1 85 . 1 1 144 144 PHE N N 15 0.066723604 0.00295164 . . . . . . . 6758 1 86 . 1 1 145 145 THR N N 15 0.069071268 0.001997392 . . . . . . . 6758 1 87 . 1 1 146 146 ALA N N 15 0.068603104 0.00078737 . . . . . . . 6758 1 88 . 1 1 147 147 HIS N N 15 0.067800287 0.004248417 . . . . . . . 6758 1 89 . 1 1 148 148 ALA N N 15 0.066515012 0.002592055 . . . . . . . 6758 1 90 . 1 1 149 149 ILE N N 15 0.064796636 0.001586354 . . . . . . . 6758 1 91 . 1 1 150 150 ALA N N 15 0.066637346 0.001527121 . . . . . . . 6758 1 92 . 1 1 151 151 MET N N 15 0.091343387 0.001914097 . . . . . . . 6758 1 93 . 1 1 152 152 ARG N N 15 0.075187405 0.003035986 . . . . . . . 6758 1 94 . 1 1 153 153 ASN N N 15 0.073246122 0.001060229 . . . . . . . 6758 1 95 . 1 1 154 154 ASN N N 15 0.075376695 0.000866643 . . . . . . . 6758 1 96 . 1 1 155 155 ASP N N 15 0.064421782 0.002259999 . . . . . . . 6758 1 97 . 1 1 156 156 ALA N N 15 0.06404878 0.000934812 . . . . . . . 6758 1 98 . 1 1 158 158 ALA N N 15 0.070451807 0.001056956 . . . . . . . 6758 1 99 . 1 1 159 159 LEU N N 15 0.070226199 0.000907675 . . . . . . . 6758 1 100 . 1 1 160 160 VAL N N 15 0.065396663 0.000607323 . . . . . . . 6758 1 101 . 1 1 161 161 GLU N N 15 0.066609826 0.001446088 . . . . . . . 6758 1 102 . 1 1 162 162 GLU N N 15 0.06772223 0.001312798 . . . . . . . 6758 1 103 . 1 1 163 163 VAL N N 15 0.065854028 0.001428045 . . . . . . . 6758 1 104 . 1 1 164 164 TYR N N 15 0.065474593 0.00131809 . . . . . . . 6758 1 105 . 1 1 165 165 ASN N N 15 0.062242084 0.001590827 . . . . . . . 6758 1 106 . 1 1 167 167 PHE N N 15 0.063548551 0.001373867 . . . . . . . 6758 1 107 . 1 1 168 168 ARG N N 15 0.065318066 0.001342379 . . . . . . . 6758 1 108 . 1 1 169 169 ASP N N 15 0.072719869 0.000982962 . . . . . . . 6758 1 109 . 1 1 170 170 SER N N 15 0.077939285 0.002045358 . . . . . . . 6758 1 110 . 1 1 171 171 ARG N N 15 0.074453511 0.001446665 . . . . . . . 6758 1 111 . 1 1 172 172 ASP N N 15 0.085752997 0.001186893 . . . . . . . 6758 1 112 . 1 1 174 174 VAL N N 15 0.073348737 0.001511649 . . . . . . . 6758 1 113 . 1 1 176 176 GLN N N 15 0.067717186 0.000931129 . . . . . . . 6758 1 114 . 1 1 177 177 ALA N N 15 0.068353167 0.001011797 . . . . . . . 6758 1 115 . 1 1 178 178 LEU N N 15 0.064877349 0.001370191 . . . . . . . 6758 1 116 . 1 1 179 179 ASN N N 15 0.069863626 0.001692724 . . . . . . . 6758 1 117 . 1 1 180 180 TRP N N 15 0.067193463 0.000652824 . . . . . . . 6758 1 118 . 1 1 181 181 MET N N 15 0.06791725 0.003028888 . . . . . . . 6758 1 119 . 1 1 182 182 ILE N N 15 0.075886928 0.002180131 . . . . . . . 6758 1 120 . 1 1 183 183 LEU N N 15 0.067835242 0.001086071 . . . . . . . 6758 1 121 . 1 1 184 184 GLY N N 15 0.0735186 0.001316575 . . . . . . . 6758 1 122 . 1 1 185 185 ASP N N 15 0.071723149 0.002649518 . . . . . . . 6758 1 123 . 1 1 186 186 PHE N N 15 0.076597831 0.001724812 . . . . . . . 6758 1 124 . 1 1 188 188 ARG N N 15 0.065019929 0.001280319 . . . . . . . 6758 1 125 . 1 1 189 189 GLU N N 15 0.069833378 0.001137432 . . . . . . . 6758 1 126 . 1 1 191 191 ALA N N 15 0.065537671 0.001267505 . . . . . . . 6758 1 127 . 1 1 192 192 ASP N N 15 0.06535606 0.001353301 . . . . . . . 6758 1 128 . 1 1 193 193 LEU N N 15 0.082922865 0.001975427 . . . . . . . 6758 1 129 . 1 1 194 194 GLU N N 15 0.069652434 0.001643222 . . . . . . . 6758 1 130 . 1 1 195 195 MET N N 15 0.07056416 0.00075692 . . . . . . . 6758 1 131 . 1 1 196 196 ASN N N 15 0.068739388 0.001047691 . . . . . . . 6758 1 132 . 1 1 198 198 THR N N 15 0.187938131 0.007286671 . . . . . . . 6758 1 133 . 1 1 199 199 VAL N N 15 0.178759765 0.019189481 . . . . . . . 6758 1 134 . 1 1 202 202 ARG N N 15 0.242494786 0.019690264 . . . . . . . 6758 1 135 . 1 1 203 203 ARG N N 15 0.155395326 0.011079894 . . . . . . . 6758 1 136 . 1 1 204 204 ALA N N 15 0.167492965 0.010382842 . . . . . . . 6758 1 137 . 1 1 205 205 SER N N 15 0.218727444 0.016223921 . . . . . . . 6758 1 138 . 1 1 206 206 GLU N N 15 0.203591351 0.009546463 . . . . . . . 6758 1 139 . 1 1 207 207 ILE N N 15 0.248855266 0.011839747 . . . . . . . 6758 1 140 . 1 1 208 208 ILE N N 15 0.254310564 0.021963057 . . . . . . . 6758 1 141 . 1 1 209 209 SER N N 15 0.160934709 0.01148503 . . . . . . . 6758 1 142 . 1 1 211 211 ALA N N 15 0.28534741 0.015088221 . . . . . . . 6758 1 143 . 1 1 213 213 ALA N N 15 0.26347684 0.015175596 . . . . . . . 6758 1 144 . 1 1 214 214 THR N N 15 0.329804426 0.027134466 . . . . . . . 6758 1 145 . 1 1 216 216 THR N N 15 0.151947973 0.012312281 . . . . . . . 6758 1 146 . 1 1 219 219 ARG N N 15 0.151745068 0.015848952 . . . . . . . 6758 1 147 . 1 1 222 222 ASP N N 15 0.058429645 0.001583198 . . . . . . . 6758 1 148 . 1 1 223 223 TYR N N 15 0.052924614 0.001117171 . . . . . . . 6758 1 149 . 1 1 224 224 ALA N N 15 0.06472073 0.00122928 . . . . . . . 6758 1 150 . 1 1 225 225 VAL N N 15 0.06717947 0.001078052 . . . . . . . 6758 1 151 . 1 1 226 226 ALA N N 15 0.068273833 0.001635704 . . . . . . . 6758 1 152 . 1 1 227 227 GLY N N 15 0.071447454 0.001065707 . . . . . . . 6758 1 153 . 1 1 228 228 ASN N N 15 0.067412246 0.001156518 . . . . . . . 6758 1 154 . 1 1 230 230 VAL N N 15 0.074338941 0.001755873 . . . . . . . 6758 1 155 . 1 1 231 231 ALA N N 15 0.076175966 0.002052931 . . . . . . . 6758 1 156 . 1 1 232 232 PHE N N 15 0.085596651 0.0016162 . . . . . . . 6758 1 157 . 1 1 233 233 ARG N N 15 0.071660958 0.000902717 . . . . . . . 6758 1 158 . 1 1 235 235 SER N N 15 0.08241713 0.00281765 . . . . . . . 6758 1 159 . 1 1 237 237 LEU N N 15 0.077232005 0.002039333 . . . . . . . 6758 1 160 . 1 1 238 238 GLN N N 15 0.067187594 0.002110554 . . . . . . . 6758 1 161 . 1 1 239 239 ALA N N 15 0.076793119 0.001427824 . . . . . . . 6758 1 162 . 1 1 240 240 GLY N N 15 0.065577641 0.00127577 . . . . . . . 6758 1 163 . 1 1 241 241 ILE N N 15 0.065997888 0.001229003 . . . . . . . 6758 1 164 . 1 1 242 242 VAL N N 15 0.074534532 0.002017562 . . . . . . . 6758 1 165 . 1 1 243 243 TYR N N 15 0.073553208 0.001469486 . . . . . . . 6758 1 166 . 1 1 244 244 GLY N N 15 0.073696312 0.001063335 . . . . . . . 6758 1 167 . 1 1 246 246 ARG N N 15 0.102758025 0.002022041 . . . . . . . 6758 1 168 . 1 1 247 247 ARG N N 15 0.11003279 0.002849316 . . . . . . . 6758 1 169 . 1 1 248 248 THR N N 15 0.098531875 0.002056567 . . . . . . . 6758 1 170 . 1 1 249 249 GLN N N 15 0.095273483 0.001759256 . . . . . . . 6758 1 171 . 1 1 250 250 ILE N N 15 0.113897811 0.003217407 . . . . . . . 6758 1 172 . 1 1 251 251 SER N N 15 0.075640677 0.002881844 . . . . . . . 6758 1 173 . 1 1 252 252 SER N N 15 0.094182356 0.003627677 . . . . . . . 6758 1 174 . 1 1 255 255 PHE N N 15 0.088278395 0.007117786 . . . . . . . 6758 1 175 . 1 1 257 257 VAL N N 15 0.062168564 0.001330757 . . . . . . . 6758 1 176 . 1 1 258 258 GLY N N 15 0.067191206 0.001585531 . . . . . . . 6758 1 177 . 1 1 259 259 VAL N N 15 0.063625779 0.002472006 . . . . . . . 6758 1 178 . 1 1 260 260 SER N N 15 0.063666287 0.001709855 . . . . . . . 6758 1 179 . 1 1 261 261 ARG N N 15 0.070217816 0.001470883 . . . . . . . 6758 1 180 . 1 1 262 262 ARG N N 15 0.080624355 0.001353609 . . . . . . . 6758 1 stop_ save_