data_7080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7080 _Entry.Title ; Complex of TM1a(1-14)Zip with TM9a(251-284): a model for the polymerization domain ("overlap region")of tropomyosin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-20 _Entry.Accession_date 2006-04-20 _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 'Four chain complex of two model peptides containing the C- and N-terminal domains.' _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 Norma Greenfield . J. . 7080 2 Yuanpeng Huang . J. . 7080 3 G.V.T. Swapna . . . 7080 4 Aneerban Bhattacharya . . . 7080 5 Brian Rapp . . . 7080 6 Abhishek Singh . . . 7080 7 Gaetano Montelione . T. . 7080 8 Sarah Hitchcock-DeGregori . E. . 7080 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Rutgers University' . 7080 . . CABM . 7080 . . 'Robert Wood Johnson Medical School' . 7080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 7080 '15N chemical shifts' 72 7080 '1H chemical shifts' 524 7080 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 . . 2008-07-08 2006-04-20 update BMRB 'complete citations' 7080 1 . . 2006-10-31 2006-04-20 original author 'original release' 7080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G9J 'BMRB Entry Tracking System' 7080 . 4133 'Unbound N-terminal model molecule with Gly replaceing the N-terminal Acetyl group' 7080 . 5610 'Unbound C-terminal model molecule' 7080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16999976 _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the Junction between Tropomyosin Molecules: Implications for Actin Binding and Regulation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 364 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 80 _Citation.Page_last 96 _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 Norma Greenfield . J. . 7080 1 2 Yuanpeng Huang . J. . 7080 1 3 G.V.T. Swapna . . . 7080 1 4 Aneerban Bhattacharya . . . 7080 1 5 Brian Rapp . . . 7080 1 6 Abhishek Singh . . . 7080 1 7 Gaetano Montelione . T. . 7080 1 8 Sarah Hitchcock-DeGregori . E. . 7080 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'intermolecular junction' 7080 1 'N-terminal C-terminal Interface' 7080 1 'overlap complex' 7080 1 'parallel coiled coil' 7080 1 'peptide complex' 7080 1 'Polymerization domain' 7080 1 tropomyosin 7080 1 stop_ save_ save_Reference_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Reference_Citation_1 _Citation.Entry_ID 7080 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16374783 _Citation.Full_citation ; Huang YJ, Tejero R, Powers R, Montelione GT. A topology-constrained distance network algorithm for protein structure determination from NOESY data. Proteins. 2006 Mar 15;62(3):587-603. ; _Citation.Title 'A topology-constrained distance network algorithm for protein structure determination from NOESY data.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 62 _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 587 _Citation.Page_last 603 _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 Yuanpeng Huang . J. . 7080 2 2 Roberto Tejero . . . 7080 2 3 Robert Powers . . . 7080 2 4 Gaetano Montelione . T. . 7080 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AutoStructure 7080 2 stop_ save_ save_reference_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_citation_2 _Citation.Entry_ID 7080 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9367762 _Citation.Full_citation ; Guntert P, Mumenthaler C, Wuthrich K.Torsion angle dynamics for NMR structure calculation with the new program DYANA. J Mol Biol. 1997 Oct 17;273(1):283-98. ; _Citation.Title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 273 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 283 _Citation.Page_last 298 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 . Guntert P. . . 7080 3 2 . Mumenthaler C. . . 7080 3 3 . Wuthrich K. . . 7080 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DYANA 7080 3 stop_ save_ save_reference_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode reference_citation_3 _Citation.Entry_ID 7080 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15318003 _Citation.Full_citation ; Guntert P. Automated NMR structure calculation with CYANA. Methods Mol Biol. 2004;278:353-78. ; _Citation.Title 'Automated NMR structure calculation with CYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Methods Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _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 353 _Citation.Page_last 378 _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 . Guntert P. . . 7080 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CYANA 7080 4 stop_ save_ save_reference_citation_4 _Citation.Sf_category citations _Citation.Sf_framecode reference_citation_4 _Citation.Entry_ID 7080 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _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 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 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 Frank Delaglio . . . 7080 5 2 Stephan Grzesiek . . . 7080 5 3 Geerten Vuister . W. . 7080 5 4 Guang Zhu . . . 7080 5 5 John Pfeifer . . . 7080 5 6 Ad Bax . . . 7080 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMRPipe 7080 5 stop_ save_ save_Reference_Citation_5 _Citation.Sf_category citations _Citation.Sf_framecode Reference_Citation_5 _Citation.Entry_ID 7080 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9757107 _Citation.Full_citation ; Brunger AT, Adams PD, Clore GM, DeLano WL, Gros P, Grosse-Kunstleve RW, Jiang JS, Kuszewski J, Nilges M, Pannu NS, Read RJ, Rice LM, Simonson T, Warren GL. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr D Biol Crystallogr. 1998 Sep 1;54 ( Pt 5):905-21. ; _Citation.Title 'Crystallography & NMR system: A new software suite for macromolecular structure determination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr D Biol Crystallogr.' _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 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 905 _Citation.Page_last 921 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Axel Brunger . T. . 7080 6 2 Paul Adams . D. . 7080 6 3 . Clore G. M. . 7080 6 4 Warren DeLano . L. . 7080 6 5 Piet Gros . . . 7080 6 6 Ralf Grosse-Kunstleve . W. . 7080 6 7 Jian-Sheng Jiang . . . 7080 6 8 John Kuszewski . . . 7080 6 9 Michael Nilges . . . 7080 6 10 Navraj Pannu . S. . 7080 6 11 Randy Read . J. . 7080 6 12 Luke Rice . M. . 7080 6 13 Thomas Simonson . . . 7080 6 14 Gregory Warren . L. . 7080 6 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CNS 7080 6 stop_ save_ save_Reference_Citation_6 _Citation.Sf_category citations _Citation.Sf_framecode Reference_Citation_6 _Citation.Entry_ID 7080 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; _Citation.Title 'SPARKY 3' _Citation.Status published _Citation.Type Internet _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _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 . _Citation.Page_last . _Citation.Year . _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 T. Goddard . D. . 7080 7 2 D. Kneller . G. . 7080 7 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Sparky 7080 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7080 _Assembly.ID 1 _Assembly.Name 'NTD-CTD complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 disulfide bound' _Assembly.Molecular_mass 16142.6 _Assembly.Enzyme_commission_number . _Assembly.Details ; Four chain complex of a two-chain coiled coil model molecule containing the N-terminal 14 residues of tropomyosin in a chimeric peptide (TM1a(1-14)Zip with a two chain model molecule containing residues 251-284 of rat striated alpha tropomyosin. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7080 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 'molecule 1, Chain A' 1 $GlyTm1a(1-14)Zip . . yes native no no 1 'Tropomyosin N-terminal domain, Chain A' ; Two chain coiled coil complex of peptide containing the first 14 residues of alpha-tropomyosin from rat striated muscle and the last 18 residues of the yeast transcription factor GCN4 ; 7080 1 2 'molecule 1, Chain B' 1 $GlyTm1a(1-14)Zip . . yes native no no 1 'Tropomyosin N-terminal domain, Chaind B' ; Two chain coiled coil complex of peptide containing the first 14 residues of alpha-tropomyosin from rat striated muscle and the last 18 residues of the yeast transcription factor GCN4 ; 7080 1 3 'molecule 2, Chains C' 2 $GlyTM9a(251-284) . . yes native no no 2 'Tropomyosin C-terminal domain, Chain C' ; Two-chain coiled coil of a molecule containing residues 251-284 of alpha-tropomyosin from rat striated muscle. There is a gly-cys-cly at the N-terminus. The peptides are cross-lined by a cysteine disulfide. The peptide contains the mutation N279K ; 7080 1 4 'molecule 2, Chains D' 2 $GlyTM9a(251-284) . . yes native no no 2 'Tropomyosin C-terminal domain, Chain D' ; Two-chain coiled coil of a molecule containing residues 251-284 of alpha-tropomyosin from rat striated muscle. There is a gly-cys-cly at the N-terminus. The peptides are cross-lined by a cysteine disulfide. The peptide contains the mutation N279K ; 7080 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 3 . 2 CYS 2 2 SG . 4 . 2 CYS 2 2 SG . . . . . . . . . . 7080 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2G9J . . NMR . . . 7080 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 7080 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'polymerization domain of tropomyosin' 7080 1 'troponin binding site' 7080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlyTm1a(1-14)Zip _Entity.Sf_category entity _Entity.Sf_framecode GlyTm1a(1-14)Zip _Entity.Entry_ID 7080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tropomyosin N-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; Chimerica synthetic peptide containing the first 14 residues of rat striated muscle alpha-tropomyosin and the last 18 residues of the yeast transcription factor GCN4 ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMDAIKKKMQMLKLDNYHLE NEVARLKKLVGER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 0-32 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3900.7 _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 BMRB 5610 . Tm9a251-284 . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 7080 1 2 no PDB 1C1G . "Crystal Structure Of Tropomyosin At 7 Angstroms Resolution In The Spermine-Induced Crystal Form" . . . . . 91.89 284 97.06 97.06 5.82e-12 . . . . 7080 1 3 no PDB 1MV4 . "Tm9a251-284: A Peptide Model Of The C-Terminus Of A Rat Striated Alpha Tropomyosin" . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 7080 1 4 no PDB 2D3E . "Crystal Structure Of The C-Terminal Fragment Of Rabbit Skeletal Alpha-Tropomyosin" . . . . . 91.89 134 97.06 97.06 3.40e-12 . . . . 7080 1 5 no PDB 2G9J . 'Complex Of Tm1a(1-14)zip With Tm9a(251-284): A Model For The Polymerization Domain ("overlap Region") Of Tropomyosin, Northeast' . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 7080 1 6 no PDB 2TMA . "Tropomyosin Crystal Structure And Muscle Regulation. Appendix. Construction Of An Atomic Model For Tropomyosin And Implications" . . . . . 91.89 284 97.06 97.06 5.47e-12 . . . . 7080 1 7 no PDB 2W49 . "Isometrically Contracting Insect Asynchronous Flight Muscle" . . . . . 91.89 277 97.06 97.06 5.07e-12 . . . . 7080 1 8 no PDB 2W4U . "Isometrically Contracting Insect Asynchronous Flight Muscle Quick Frozen After A Length Step" . . . . . 91.89 277 97.06 97.06 5.07e-12 . . . . 7080 1 9 no DBJ BAB21978 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 7080 1 10 no DBJ BAC36973 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.64e-12 . . . . 7080 1 11 no DBJ BAC85248 . "unnamed protein product [Homo sapiens]" . . . . . 91.89 217 97.06 97.06 3.83e-12 . . . . 7080 1 12 no DBJ BAD86590 . "tropomyosin 1 [Bos taurus]" . . . . . 91.89 284 97.06 97.06 5.19e-12 . . . . 7080 1 13 no DBJ BAE40499 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 7080 1 14 no EMBL CAA26259 . "unnamed protein product [Rattus norvegicus]" . . . . . 91.89 204 97.06 97.06 3.33e-12 . . . . 7080 1 15 no EMBL CAA28393 . "unnamed protein product [Coturnix coturnix]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 7080 1 16 no EMBL CAA34344 . "alpha-tropomyosin [Coturnix coturnix]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 7080 1 17 no EMBL CAA41056 . "alpha-tropomyosin of skeletal fast muscle [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 7080 1 18 no EMBL CAA43577 . "alpha-skeletal tropomyosin [Xenopus laevis]" . . . . . 91.89 284 97.06 97.06 7.32e-12 . . . . 7080 1 19 no GB AAA18096 . "alpha-tropomyosin [Rana temporaria]" . . . . . 91.89 284 97.06 97.06 6.13e-12 . . . . 7080 1 20 no GB AAA21801 . "striated-muscle alpha tropomyosin [Rattus norvegicus]" . . . . . 91.89 284 100.00 100.00 1.04e-12 . . . . 7080 1 21 no GB AAA21803 . "minor striated-muscle alpha tropomyosin [Rattus norvegicus]" . . . . . 91.89 294 100.00 100.00 1.32e-12 . . . . 7080 1 22 no GB AAA48577 . "alpha-tropomyosin [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 7080 1 23 no GB AAA48610 . "alpha-tropomyosin [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 7080 1 24 no PRF 1105305B . "tropomyosin alpha" . . . . . 91.89 204 97.06 97.06 3.33e-12 . . . . 7080 1 25 no REF NP_001013608 . "tropomyosin alpha-1 chain [Bos taurus]" . . . . . 91.89 284 97.06 97.06 5.19e-12 . . . . 7080 1 26 no REF NP_001018005 . "tropomyosin alpha-1 chain isoform Tpm1.1st [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.70e-12 . . . . 7080 1 27 no REF NP_001029247 . "tropomyosin alpha-1 chain isoform Tpm1.13 [Rattus norvegicus]" . . . . . 91.89 248 97.06 97.06 2.49e-12 . . . . 7080 1 28 no REF NP_001090952 . "tropomyosin alpha-1 chain [Sus scrofa]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 7080 1 29 no REF NP_001099158 . "tropomyosin alpha-1 chain [Oryctolagus cuniculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 7080 1 30 no SP P04268 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 7080 1 31 no SP P04692 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Rattus norvegicus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 7080 1 32 no SP P09493 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.70e-12 . . . . 7080 1 33 no SP P13105 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Rana temporaria]" . . . . . 91.89 284 97.06 97.06 6.13e-12 . . . . 7080 1 34 no SP P42639 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Sus scrofa]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 7080 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GlyTM1a(1-14)Zip . 7080 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 0 GLY . 7080 1 2 1 MET . 7080 1 3 2 ASP . 7080 1 4 3 ALA . 7080 1 5 4 ILE . 7080 1 6 5 LYS . 7080 1 7 6 LYS . 7080 1 8 7 LYS . 7080 1 9 8 MET . 7080 1 10 9 GLN . 7080 1 11 10 MET . 7080 1 12 11 LEU . 7080 1 13 12 LYS . 7080 1 14 13 LEU . 7080 1 15 14 ASP . 7080 1 16 15 ASN . 7080 1 17 16 TYR . 7080 1 18 17 HIS . 7080 1 19 18 LEU . 7080 1 20 19 GLU . 7080 1 21 20 ASN . 7080 1 22 21 GLU . 7080 1 23 22 VAL . 7080 1 24 23 ALA . 7080 1 25 24 ARG . 7080 1 26 25 LEU . 7080 1 27 26 LYS . 7080 1 28 27 LYS . 7080 1 29 28 LEU . 7080 1 30 29 VAL . 7080 1 31 30 GLY . 7080 1 32 31 GLU . 7080 1 33 32 ARG . 7080 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 . GLY 1 1 7080 1 . MET 2 2 7080 1 . ASP 3 3 7080 1 . ALA 4 4 7080 1 . ILE 5 5 7080 1 . LYS 6 6 7080 1 . LYS 7 7 7080 1 . LYS 8 8 7080 1 . MET 9 9 7080 1 . GLN 10 10 7080 1 . MET 11 11 7080 1 . LEU 12 12 7080 1 . LYS 13 13 7080 1 . LEU 14 14 7080 1 . ASP 15 15 7080 1 . ASN 16 16 7080 1 . TYR 17 17 7080 1 . HIS 18 18 7080 1 . LEU 19 19 7080 1 . GLU 20 20 7080 1 . ASN 21 21 7080 1 . GLU 22 22 7080 1 . VAL 23 23 7080 1 . ALA 24 24 7080 1 . ARG 25 25 7080 1 . LEU 26 26 7080 1 . LYS 27 27 7080 1 . LYS 28 28 7080 1 . LEU 29 29 7080 1 . VAL 30 30 7080 1 . GLY 31 31 7080 1 . GLU 32 32 7080 1 . ARG 33 33 7080 1 stop_ save_ save_GlyTM9a(251-284) _Entity.Sf_category entity _Entity.Sf_framecode GlyTM9a(251-284) _Entity.Entry_ID 7080 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Tropomyosin C-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; Peptide containing gly-cys-gly followed by residues 251-284 of alpha-tropomyosin from rat striated muscle. The peptide has the mutation N279K ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCGKSIDDLEDELYAQKLKY KAISEELDHALKDMTSI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 248-284 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4170.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TM9A(251-284) . 7080 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 248 GLY . 7080 2 2 249 CYS . 7080 2 3 250 GLY . 7080 2 4 251 LYS . 7080 2 5 252 SER . 7080 2 6 253 ILE . 7080 2 7 254 ASP . 7080 2 8 255 ASP . 7080 2 9 256 LEU . 7080 2 10 257 GLU . 7080 2 11 258 ASP . 7080 2 12 259 GLU . 7080 2 13 260 LEU . 7080 2 14 261 TYR . 7080 2 15 262 ALA . 7080 2 16 263 GLN . 7080 2 17 264 LYS . 7080 2 18 265 LEU . 7080 2 19 266 LYS . 7080 2 20 267 TYR . 7080 2 21 268 LYS . 7080 2 22 269 ALA . 7080 2 23 270 ILE . 7080 2 24 271 SER . 7080 2 25 272 GLU . 7080 2 26 273 GLU . 7080 2 27 274 LEU . 7080 2 28 275 ASP . 7080 2 29 276 HIS . 7080 2 30 277 ALA . 7080 2 31 278 LEU . 7080 2 32 279 LYS . 7080 2 33 280 ASP . 7080 2 34 281 MET . 7080 2 35 282 THR . 7080 2 36 283 SER . 7080 2 37 284 ILE . 7080 2 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 . GLY 1 1 7080 2 . CYS 2 2 7080 2 . GLY 3 3 7080 2 . LYS 4 4 7080 2 . SER 5 5 7080 2 . ILE 6 6 7080 2 . ASP 7 7 7080 2 . ASP 8 8 7080 2 . LEU 9 9 7080 2 . GLU 10 10 7080 2 . ASP 11 11 7080 2 . GLU 12 12 7080 2 . LEU 13 13 7080 2 . TYR 14 14 7080 2 . ALA 15 15 7080 2 . GLN 16 16 7080 2 . LYS 17 17 7080 2 . LEU 18 18 7080 2 . LYS 19 19 7080 2 . TYR 20 20 7080 2 . LYS 21 21 7080 2 . ALA 22 22 7080 2 . ILE 23 23 7080 2 . SER 24 24 7080 2 . GLU 25 25 7080 2 . GLU 26 26 7080 2 . LEU 27 27 7080 2 . ASP 28 28 7080 2 . HIS 29 29 7080 2 . ALA 30 30 7080 2 . LEU 31 31 7080 2 . LYS 32 32 7080 2 . ASP 33 33 7080 2 . MET 34 34 7080 2 . THR 35 35 7080 2 . SER 36 36 7080 2 . ILE 37 37 7080 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7080 _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 $GlyTm1a(1-14)Zip . 10117 . no . Rat . . Eukaryota Metazoa Rattus Rattus . . . . . . . . . . . . . . . . . . . . . 7080 1 2 2 $GlyTM9a(251-284) . 10117 . no . Rat . . Eukaryota Metazoa Rattus Rattus . . . . . . . . . . . . . . . . . . . . . 7080 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 7080 _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 $GlyTm1a(1-14)Zip . 'recombinant technology' . 'E. coli' 'Escherichia coli' 562 Escherichia coli 'BL21(DE3) pLysS' . . . . . . . . . . . . . . . . . . . . . . 7080 1 2 2 $GlyTM9a(251-284) . 'recombinant technology' . 'E. Coli' 'Escherichia coli' 562 Escherichia coli 'BL21(DE3) pLysS' . . . . . . . . . . . . . . . . . . . . . . 7080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 7080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex both chains labeled with 15N, in 100 mM NaCl, 10 mM NaPO4, 7.5% D2O pH*=6.5' _Sample.Aggregate_sample_number 1 _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 'Tropomyosin C-terminal domain' '[U-95% 15N]' . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 1 2 'Tropomyosin N-terminal domain' '[U-95% 15N]' . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 1 3 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 1 4 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 1 5 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 7080 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex CTD labeled with 13C/15N NTD unlabeled' _Sample.Aggregate_sample_number 2 _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 'Tropomyosin C-terminal domain' '[U-95% 15N U-95% 13C]' . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 2 2 'Tropomyosin N-terminal domain' unlabeled . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 2 3 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 2 4 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 2 5 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7080 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD NTD labeled with 13C/15N CTD unlabeled' _Sample.Aggregate_sample_number 3 _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 'Tropomyosin C-terminal domain' unlabeled . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 3 2 'Tropomyosin N-terminal domain' '[U-95% 15N; U-95% 13C]' . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 3 3 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 3 4 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 3 5 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 3 stop_ save_ save_Sample_4 _Sample.Sf_category sample _Sample.Sf_framecode Sample_4 _Sample.Entry_ID 7080 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex CTD labeled with 13C/15N NTD unlabeled' _Sample.Aggregate_sample_number 4 _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 'Tropomyosin C-terminal domain' '[U-95% 15N]' . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 4 2 'Tropomyosin N-terminal domain' '[U-95% 15N]' . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 4 3 NaCl . . . 1 . . salt 100 90 110 mM 10 . . . 7080 4 4 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 4 5 'Deuterium Oxide' [U-2H] . . . . . solvent 99 98 99.9 % 1 . . . 7080 4 stop_ save_ save_Sample_5 _Sample.Sf_category sample _Sample.Sf_framecode Sample_5 _Sample.Entry_ID 7080 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex NTD labeled with 13C/15N CTD unlabeled' _Sample.Aggregate_sample_number 5 _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 'Tropomyosin C-terminal domain' unlabeled . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 5 2 'Tropomyosin N-terminal domain' '[U-95% 15N; U-95% 13C]' . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 5 3 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 5 4 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 5 5 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 5 stop_ save_ save_Sample_6 _Sample.Sf_category sample _Sample.Sf_framecode Sample_6 _Sample.Entry_ID 7080 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex one chain of CTD labeled with 13C/15N CTD one chain of CTD unlabeled both chains of NTD unlabeled' _Sample.Aggregate_sample_number 6 _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 'Tropomyosin C-terminal domain' '[U-95% 15N; U-95% 13C]' . . 2 $GlyTM9a(251-284) . protein 0.5 0.45 0.55 mM 0.05 . . . 7080 6 2 'Tropomyosin C-terminal domain' unlabeled . . 1 $GlyTM9a(251-284) . protein 0.5 0.45 0.55 mM 0.05 . . . 7080 6 3 'Tropomyosin N-terminal domain' unlabeled . . 1 $GlyTm1a(1-14)Zip . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 6 4 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 6 5 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 6 6 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 6 stop_ save_ save_Sample_7 _Sample.Sf_category sample _Sample.Sf_framecode Sample_7 _Sample.Entry_ID 7080 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NTD-CTD complex one chain of NTD labeled with 13C/15N CTD one chain of NTD unlabeled both chains of CTD unlabeled' _Sample.Aggregate_sample_number 7 _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 'Tropomyosin C-terminal domain' unlabeled . . 2 $GlyTM9a(251-284) . protein 1.0 0.9 1.1 mM 0.1 . . . 7080 7 2 'Tropomyosin N-terminal domain' '[U-95% 15N; U-95% 13C]' . . 1 $GlyTm1a(1-14)Zip . protein 0.5 0.45 0.55 mM 0.05 . . . 7080 7 3 'Tropomyosin N-terminal domain' unlabeled . . 1 $GlyTm1a(1-14)Zip . protein 0.5 0.45 0.55 mM 0.05 . . . 7080 7 4 NaCl . . . . . . salt 100 90 110 mM 10 . . . 7080 7 5 'Sodium Phosphate' . . . . . . buffer 10 9 11 mM 1 . . . 7080 7 6 'Deuterium Oxide' [U-2H] . . . . . solvent 7.5 5 10 % 2.5 . . . 7080 7 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 7080 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100 mM NaCl, 10 mM Sodium phoshate, 7.5% 2H2O pH* 6.5, 10 deg. C.' 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 'ionic strength' 0.14 0.1 M 7080 1 pH* 6.5 0.1 pH 7080 1 pressure 1 0.05 atm 7080 1 temperature 283 0.1 K 7080 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7080 _Sample_condition_list.ID 2 _Sample_condition_list.Details '100 mM NaCl, 10 mM sodium phosphate, 99.9% deuterium oxide, pH* 6.5, 10 deg C.' 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 'ionic strength' 0.14 0.1 M 7080 2 pH* 6.5 0.1 pH 7080 2 pressure 1 0.05 atm 7080 2 temperature 283 0.1 K 7080 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7080 _Software.ID 1 _Software.Name AutoStruct _Software.Version Custom _Software.Details ; AutoStructure v 1.1.2 modified solving a four chain complex of two homodimeric parallel symmetric coiled coils. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'not commercial' ; Gaetano T. Montelione, CABM, Rutgers University 679 Hoes Lane, Piscataway, NJ 08854 ; guy@cabm.rutgers.edu 7080 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $Reference_Citation_1 7080 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7080 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Torsion angle dynamics for NMR structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'not commercial' ; K. Wuthrich Institut fur Molekularbiologie und Biophysik, Eidgenossische Technische Hochschule-Honggerberg, CH-8093, Zurich, Switzerland ; wuthrich@scripps.edu 7080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Analysis' 7080 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $reference_citation_2 7080 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7080 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Torsion angle dynamics for NMR structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'L. A. Systems' ; L. A. Systems, Inc. Grace Building 5F, 1-6-2 Ekihigashi-dori Oyama, Tochigi 323-0022 JAPAN ; cyana@las.jp 7080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Strucutre determination' 7080 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $reference_citation_3 7080 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 7080 _Software.ID 4 _Software.Name VNMR _Software.Version 6.1c _Software.Details 'Collection Software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian ; Varian, Inc. Corporate Headquarters 3120 Hansen Way Palo Alto, CA 94304-1030 USA ; custcare@varianinc.com 7080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Collection' 7080 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $reference_citation_4 7080 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHZ_Spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHZ_Spectrometer_1 _NMR_spectrometer.Entry_ID 7080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model ANOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500_MHz_NMR_Spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz_NMR_Spectrometer_1 _NMR_spectrometer.Entry_ID 7080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varan _NMR_spectrometer.Model Anova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 7080 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Has cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 7080 _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 1H15N_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 2 1H13C_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 3 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 4 HNcoCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 5 HCCH_COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 6 CCH-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 7 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 8 HAcaNH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 9 HAcacoNH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 10 CBCAcoNH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 11 CBCANH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 12 '15N Edited NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 13 '13C Edited NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 14 '13C X-filtered NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 15 'T1 Relaxation' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 16 'T2 Relaxation' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 17 '15N1H HNOE' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 18 '15N Edited TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 19 HNcoHA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7080 1 stop_ 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 7080 _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 . . . . . . . . . 7080 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7080 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7080 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 7080 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 1H15N_HSQC 1 $Sample_1 isotropic 7080 1 1 1H15N_HSQC 2 $Sample_2 isotropic 7080 1 1 1H15N_HSQC 3 $sample_3 isotropic 7080 1 2 1H13C_HSQC 2 $Sample_2 isotropic 7080 1 2 1H13C_HSQC 3 $sample_3 isotropic 7080 1 3 HNCA 2 $Sample_2 isotropic 7080 1 3 HNCA 3 $sample_3 isotropic 7080 1 4 HNcoCA 2 $Sample_2 isotropic 7080 1 4 HNcoCA 3 $sample_3 isotropic 7080 1 5 HCCH_COSY 2 $Sample_2 isotropic 7080 1 5 HCCH_COSY 3 $sample_3 isotropic 7080 1 6 CCH-COSY 2 $Sample_2 isotropic 7080 1 6 CCH-COSY 3 $sample_3 isotropic 7080 1 7 HNCO 2 $Sample_2 isotropic 7080 1 7 HNCO 3 $sample_3 isotropic 7080 1 8 HAcaNH 2 $Sample_2 isotropic 7080 1 8 HAcaNH 3 $sample_3 isotropic 7080 1 9 HAcacoNH 2 $Sample_2 isotropic 7080 1 9 HAcacoNH 3 $sample_3 isotropic 7080 1 10 CBCAcoNH 2 $Sample_2 isotropic 7080 1 10 CBCAcoNH 3 $sample_3 isotropic 7080 1 11 CBCANH 2 $Sample_2 isotropic 7080 1 11 CBCANH 3 $sample_3 isotropic 7080 1 12 '15N Edited NOESY' 1 $Sample_1 isotropic 7080 1 12 '15N Edited NOESY' 2 $Sample_2 isotropic 7080 1 12 '15N Edited NOESY' 3 $sample_3 isotropic 7080 1 13 '13C Edited NOESY' 2 $Sample_2 isotropic 7080 1 13 '13C Edited NOESY' 3 $sample_3 isotropic 7080 1 14 '13C X-filtered NOESY' 4 $Sample_4 isotropic 7080 1 14 '13C X-filtered NOESY' 5 $Sample_5 isotropic 7080 1 14 '13C X-filtered NOESY' 6 $Sample_6 isotropic 7080 1 14 '13C X-filtered NOESY' 7 $Sample_7 isotropic 7080 1 15 'T1 Relaxation' 1 $Sample_1 isotropic 7080 1 16 'T2 Relaxation' 1 $Sample_1 isotropic 7080 1 17 '15N1H HNOE' 1 $Sample_1 isotropic 7080 1 18 '15N Edited TOCSY' 3 $sample_3 isotropic 7080 1 19 HNcoHA 2 $Sample_2 isotropic 7080 1 19 HNcoHA 3 $sample_3 isotropic 7080 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 . . 7080 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 1 1 GLY HA2 H 1 3.955 0.05 . 1 . . . . 0 GLY HA2 . 7080 1 2 . 1 1 1 1 GLY HA3 H 1 3.955 0.05 . 1 . . . . 0 GLY HA3 . 7080 1 3 . 1 1 1 1 GLY C C 13 174.2 0.5 . 1 . . . . 0 GLY C . 7080 1 4 . 1 1 1 1 GLY CA C 13 44.412 0.5 . 1 . . . . 0 GLY CA . 7080 1 5 . 1 1 2 2 MET H H 1 8.206 0.05 . 1 . . . . 1 MET H . 7080 1 6 . 1 1 2 2 MET HA H 1 4.455 0.05 . 1 . . . . 1 MET HA . 7080 1 7 . 1 1 2 2 MET HB2 H 1 2.648 0.05 . 2 . . . . 1 MET HB2 . 7080 1 8 . 1 1 2 2 MET HB3 H 1 2.118 0.05 . 2 . . . . 1 MET HB3 . 7080 1 9 . 1 1 2 2 MET HG2 H 1 2.515 0.05 . 2 . . . . 1 MET HG2 . 7080 1 10 . 1 1 2 2 MET HG3 H 1 2.758 0.05 . 2 . . . . 1 MET HG3 . 7080 1 11 . 1 1 2 2 MET HE1 H 1 2.091 0.05 . 1 . . . . 1 MET HE . 7080 1 12 . 1 1 2 2 MET HE2 H 1 2.091 0.05 . 1 . . . . 1 MET HE . 7080 1 13 . 1 1 2 2 MET HE3 H 1 2.091 0.05 . 1 . . . . 1 MET HE . 7080 1 14 . 1 1 2 2 MET C C 13 176.926 0.5 . 1 . . . . 1 MET C . 7080 1 15 . 1 1 2 2 MET CA C 13 56.658 0.5 . 1 . . . . 1 MET CA . 7080 1 16 . 1 1 2 2 MET CB C 13 32.147 0.5 . 1 . . . . 1 MET CB . 7080 1 17 . 1 1 2 2 MET CG C 13 32.165 0.5 . 1 . . . . 1 MET CG . 7080 1 18 . 1 1 2 2 MET CE C 13 17.072 0.5 . 1 . . . . 1 MET CE . 7080 1 19 . 1 1 2 2 MET N N 15 120.925 0.5 . 1 . . . . 1 MET N . 7080 1 20 . 1 1 3 3 ASP H H 1 8.654 0.05 . 1 . . . . 2 ASP H . 7080 1 21 . 1 1 3 3 ASP HA H 1 4.399 0.05 . 1 . . . . 2 ASP HA . 7080 1 22 . 1 1 3 3 ASP HB2 H 1 2.691 0.05 . 1 . . . . 2 ASP HB2 . 7080 1 23 . 1 1 3 3 ASP HB3 H 1 2.691 0.05 . 1 . . . . 2 ASP HB3 . 7080 1 24 . 1 1 3 3 ASP C C 13 177.787 0.5 . 1 . . . . 2 ASP C . 7080 1 25 . 1 1 3 3 ASP CA C 13 56.842 0.5 . 1 . . . . 2 ASP CA . 7080 1 26 . 1 1 3 3 ASP CB C 13 40.527 0.5 . 1 . . . . 2 ASP CB . 7080 1 27 . 1 1 3 3 ASP N N 15 120.326 0.5 . 1 . . . . 2 ASP N . 7080 1 28 . 1 1 4 4 ALA H H 1 8.258 0.05 . 1 . . . . 3 ALA H . 7080 1 29 . 1 1 4 4 ALA HA H 1 4.155 0.05 . 1 . . . . 3 ALA HA . 7080 1 30 . 1 1 4 4 ALA HB1 H 1 1.516 0.05 . 1 . . . . 3 ALA HB . 7080 1 31 . 1 1 4 4 ALA HB2 H 1 1.516 0.05 . 1 . . . . 3 ALA HB . 7080 1 32 . 1 1 4 4 ALA HB3 H 1 1.516 0.05 . 1 . . . . 3 ALA HB . 7080 1 33 . 1 1 4 4 ALA C C 13 180.763 0.5 . 1 . . . . 3 ALA C . 7080 1 34 . 1 1 4 4 ALA CA C 13 55.071 0.5 . 1 . . . . 3 ALA CA . 7080 1 35 . 1 1 4 4 ALA CB C 13 18.321 0.5 . 1 . . . . 3 ALA CB . 7080 1 36 . 1 1 4 4 ALA N N 15 123.141 0.5 . 1 . . . . 3 ALA N . 7080 1 37 . 1 1 5 5 ILE H H 1 7.935 0.05 . 1 . . . . 4 ILE H . 7080 1 38 . 1 1 5 5 ILE HA H 1 3.81 0.05 . 1 . . . . 4 ILE HA . 7080 1 39 . 1 1 5 5 ILE HB H 1 2.049 0.05 . 1 . . . . 4 ILE HB . 7080 1 40 . 1 1 5 5 ILE HG12 H 1 1.26 0.05 . 2 . . . . 4 ILE HG12 . 7080 1 41 . 1 1 5 5 ILE HG13 H 1 1.676 0.05 . 2 . . . . 4 ILE HG13 . 7080 1 42 . 1 1 5 5 ILE HG21 H 1 0.947 0.05 . 1 . . . . 4 ILE HG2 . 7080 1 43 . 1 1 5 5 ILE HG22 H 1 0.947 0.05 . 1 . . . . 4 ILE HG2 . 7080 1 44 . 1 1 5 5 ILE HG23 H 1 0.947 0.05 . 1 . . . . 4 ILE HG2 . 7080 1 45 . 1 1 5 5 ILE HD11 H 1 0.881 0.05 . 1 . . . . 4 ILE HD1 . 7080 1 46 . 1 1 5 5 ILE HD12 H 1 0.881 0.05 . 1 . . . . 4 ILE HD1 . 7080 1 47 . 1 1 5 5 ILE HD13 H 1 0.881 0.05 . 1 . . . . 4 ILE HD1 . 7080 1 48 . 1 1 5 5 ILE C C 13 177.659 0.5 . 1 . . . . 4 ILE C . 7080 1 49 . 1 1 5 5 ILE CA C 13 64.238 0.5 . 1 . . . . 4 ILE CA . 7080 1 50 . 1 1 5 5 ILE CB C 13 37.487 0.5 . 1 . . . . 4 ILE CB . 7080 1 51 . 1 1 5 5 ILE CG1 C 13 28.965 0.5 . 1 . . . . 4 ILE CG1 . 7080 1 52 . 1 1 5 5 ILE CG2 C 13 17.789 0.5 . 1 . . . . 4 ILE CG2 . 7080 1 53 . 1 1 5 5 ILE CD1 C 13 12.825 0.5 . 1 . . . . 4 ILE CD1 . 7080 1 54 . 1 1 5 5 ILE N N 15 120.393 0.5 . 1 . . . . 4 ILE N . 7080 1 55 . 1 1 6 6 LYS H H 1 8.322 0.05 . 1 . . . . 5 LYS H . 7080 1 56 . 1 1 6 6 LYS HA H 1 3.963 0.05 . 1 . . . . 5 LYS HA . 7080 1 57 . 1 1 6 6 LYS HB2 H 1 1.926 0.05 . 1 . . . . 5 LYS HB2 . 7080 1 58 . 1 1 6 6 LYS HB3 H 1 1.926 0.05 . 1 . . . . 5 LYS HB3 . 7080 1 59 . 1 1 6 6 LYS HG2 H 1 1.428 0.05 . 2 . . . . 5 LYS HG2 . 7080 1 60 . 1 1 6 6 LYS HG3 H 1 1.639 0.05 . 2 . . . . 5 LYS HG3 . 7080 1 61 . 1 1 6 6 LYS HD2 H 1 1.701 0.05 . 1 . . . . 5 LYS HD2 . 7080 1 62 . 1 1 6 6 LYS HD3 H 1 1.701 0.05 . 1 . . . . 5 LYS HD3 . 7080 1 63 . 1 1 6 6 LYS HE2 H 1 2.965 0.05 . 1 . . . . 5 LYS HE2 . 7080 1 64 . 1 1 6 6 LYS HE3 H 1 2.965 0.05 . 1 . . . . 5 LYS HE3 . 7080 1 65 . 1 1 6 6 LYS C C 13 179.595 0.5 . 1 . . . . 5 LYS C . 7080 1 66 . 1 1 6 6 LYS CA C 13 60.073 0.5 . 1 . . . . 5 LYS CA . 7080 1 67 . 1 1 6 6 LYS CB C 13 32.274 0.5 . 1 . . . . 5 LYS CB . 7080 1 68 . 1 1 6 6 LYS CG C 13 25.662 0.5 . 1 . . . . 5 LYS CG . 7080 1 69 . 1 1 6 6 LYS CD C 13 29.393 0.5 . 1 . . . . 5 LYS CD . 7080 1 70 . 1 1 6 6 LYS CE C 13 41.907 0.5 . 1 . . . . 5 LYS CE . 7080 1 71 . 1 1 6 6 LYS N N 15 120.978 0.5 . 1 . . . . 5 LYS N . 7080 1 72 . 1 1 7 7 LYS H H 1 7.969 0.05 . 1 . . . . 6 LYS H . 7080 1 73 . 1 1 7 7 LYS HA H 1 4.14 0.05 . 1 . . . . 6 LYS HA . 7080 1 74 . 1 1 7 7 LYS HB2 H 1 1.965 0.05 . 2 . . . . 6 LYS HB2 . 7080 1 75 . 1 1 7 7 LYS HB3 H 1 1.93 0.05 . 2 . . . . 6 LYS HB3 . 7080 1 76 . 1 1 7 7 LYS HG2 H 1 1.565 0.05 . 2 . . . . 6 LYS HG2 . 7080 1 77 . 1 1 7 7 LYS HG3 H 1 1.472 0.05 . 2 . . . . 6 LYS HG3 . 7080 1 78 . 1 1 7 7 LYS HD2 H 1 1.715 0.05 . 2 . . . . 6 LYS HD2 . 7080 1 79 . 1 1 7 7 LYS HD3 H 1 1.514 0.05 . 2 . . . . 6 LYS HD3 . 7080 1 80 . 1 1 7 7 LYS HE2 H 1 2.987 0.05 . 1 . . . . 6 LYS HE2 . 7080 1 81 . 1 1 7 7 LYS HE3 H 1 2.987 0.05 . 1 . . . . 6 LYS HE3 . 7080 1 82 . 1 1 7 7 LYS C C 13 180.738 0.5 . 1 . . . . 6 LYS C . 7080 1 83 . 1 1 7 7 LYS CA C 13 59.255 0.5 . 1 . . . . 6 LYS CA . 7080 1 84 . 1 1 7 7 LYS CB C 13 32.128 0.5 . 1 . . . . 6 LYS CB . 7080 1 85 . 1 1 7 7 LYS CG C 13 25.33 0.5 . 1 . . . . 6 LYS CG . 7080 1 86 . 1 1 7 7 LYS CD C 13 29.266 0.5 . 1 . . . . 6 LYS CD . 7080 1 87 . 1 1 7 7 LYS CE C 13 42.188 0.5 . 1 . . . . 6 LYS CE . 7080 1 88 . 1 1 7 7 LYS N N 15 119.679 0.5 . 1 . . . . 6 LYS N . 7080 1 89 . 1 1 8 8 LYS H H 1 7.921 0.05 . 1 . . . . 7 LYS H . 7080 1 90 . 1 1 8 8 LYS HA H 1 4.143 0.05 . 1 . . . . 7 LYS HA . 7080 1 91 . 1 1 8 8 LYS HB2 H 1 1.986 0.05 . 2 . . . . 7 LYS HB2 . 7080 1 92 . 1 1 8 8 LYS HB3 H 1 1.939 0.05 . 2 . . . . 7 LYS HB3 . 7080 1 93 . 1 1 8 8 LYS HG2 H 1 1.483 0.05 . 2 . . . . 7 LYS HG2 . 7080 1 94 . 1 1 8 8 LYS HG3 H 1 1.557 0.05 . 2 . . . . 7 LYS HG3 . 7080 1 95 . 1 1 8 8 LYS HD2 H 1 1.708 0.05 . 2 . . . . 7 LYS HD2 . 7080 1 96 . 1 1 8 8 LYS HD3 H 1 1.763 0.05 . 2 . . . . 7 LYS HD3 . 7080 1 97 . 1 1 8 8 LYS HE2 H 1 2.985 0.05 . 1 . . . . 7 LYS HE2 . 7080 1 98 . 1 1 8 8 LYS HE3 H 1 2.985 0.05 . 1 . . . . 7 LYS HE3 . 7080 1 99 . 1 1 8 8 LYS C C 13 179.398 0.5 . 1 . . . . 7 LYS C . 7080 1 100 . 1 1 8 8 LYS CA C 13 59.115 0.5 . 1 . . . . 7 LYS CA . 7080 1 101 . 1 1 8 8 LYS CB C 13 32.235 0.5 . 1 . . . . 7 LYS CB . 7080 1 102 . 1 1 8 8 LYS CG C 13 25.246 0.5 . 1 . . . . 7 LYS CG . 7080 1 103 . 1 1 8 8 LYS CD C 13 29.331 0.5 . 1 . . . . 7 LYS CD . 7080 1 104 . 1 1 8 8 LYS CE C 13 42.052 0.5 . 1 . . . . 7 LYS CE . 7080 1 105 . 1 1 8 8 LYS N N 15 120.489 0.5 . 1 . . . . 7 LYS N . 7080 1 106 . 1 1 9 9 MET H H 1 8.613 0.05 . 1 . . . . 8 MET H . 7080 1 107 . 1 1 9 9 MET HA H 1 4.052 0.05 . 1 . . . . 8 MET HA . 7080 1 108 . 1 1 9 9 MET HB2 H 1 2.243 0.05 . 2 . . . . 8 MET HB2 . 7080 1 109 . 1 1 9 9 MET HB3 H 1 2.229 0.05 . 2 . . . . 8 MET HB3 . 7080 1 110 . 1 1 9 9 MET HG2 H 1 2.499 0.05 . 2 . . . . 8 MET HG2 . 7080 1 111 . 1 1 9 9 MET HG3 H 1 2.661 0.05 . 2 . . . . 8 MET HG3 . 7080 1 112 . 1 1 9 9 MET HE1 H 1 2.078 0.05 . 1 . . . . 8 MET HE . 7080 1 113 . 1 1 9 9 MET HE2 H 1 2.078 0.05 . 1 . . . . 8 MET HE . 7080 1 114 . 1 1 9 9 MET HE3 H 1 2.078 0.05 . 1 . . . . 8 MET HE . 7080 1 115 . 1 1 9 9 MET C C 13 177.841 0.5 . 1 . . . . 8 MET C . 7080 1 116 . 1 1 9 9 MET CA C 13 59.231 0.5 . 1 . . . . 8 MET CA . 7080 1 117 . 1 1 9 9 MET CB C 13 32.483 0.5 . 1 . . . . 8 MET CB . 7080 1 118 . 1 1 9 9 MET CG C 13 32.319 0.5 . 1 . . . . 8 MET CG . 7080 1 119 . 1 1 9 9 MET CE C 13 17.38 0.5 . 1 . . . . 8 MET CE . 7080 1 120 . 1 1 9 9 MET N N 15 119.277 0.5 . 1 . . . . 8 MET N . 7080 1 121 . 1 1 10 10 GLN H H 1 8.17 0.05 . 1 . . . . 9 GLN H . 7080 1 122 . 1 1 10 10 GLN HA H 1 4.032 0.05 . 1 . . . . 9 GLN HA . 7080 1 123 . 1 1 10 10 GLN HB2 H 1 2.206 0.05 . 2 . . . . 9 GLN HB2 . 7080 1 124 . 1 1 10 10 GLN HB3 H 1 2.267 0.05 . 2 . . . . 9 GLN HB3 . 7080 1 125 . 1 1 10 10 GLN HG2 H 1 2.431 0.05 . 2 . . . . 9 GLN HG2 . 7080 1 126 . 1 1 10 10 GLN HG3 H 1 2.545 0.05 . 2 . . . . 9 GLN HG3 . 7080 1 127 . 1 1 10 10 GLN HE21 H 1 6.965 0.05 . 2 . . . . 9 GLN HE21 . 7080 1 128 . 1 1 10 10 GLN HE22 H 1 7.471 0.05 . 2 . . . . 9 GLN HE22 . 7080 1 129 . 1 1 10 10 GLN C C 13 179.038 0.5 . 1 . . . . 9 GLN C . 7080 1 130 . 1 1 10 10 GLN CA C 13 59.169 0.5 . 1 . . . . 9 GLN CA . 7080 1 131 . 1 1 10 10 GLN CB C 13 28.194 0.5 . 1 . . . . 9 GLN CB . 7080 1 132 . 1 1 10 10 GLN CG C 13 33.696 0.5 . 1 . . . . 9 GLN CG . 7080 1 133 . 1 1 10 10 GLN N N 15 118.94 0.5 . 1 . . . . 9 GLN N . 7080 1 134 . 1 1 10 10 GLN NE2 N 15 111.603 0.5 . 1 . . . . 9 GLN NE2 . 7080 1 135 . 1 1 11 11 MET H H 1 8.12 0.05 . 1 . . . . 10 MET H . 7080 1 136 . 1 1 11 11 MET HA H 1 4.243 0.05 . 1 . . . . 10 MET HA . 7080 1 137 . 1 1 11 11 MET HB2 H 1 2.257 0.05 . 1 . . . . 10 MET HB2 . 7080 1 138 . 1 1 11 11 MET HB3 H 1 2.257 0.05 . 1 . . . . 10 MET HB3 . 7080 1 139 . 1 1 11 11 MET HG2 H 1 2.665 0.05 . 2 . . . . 10 MET HG2 . 7080 1 140 . 1 1 11 11 MET HG3 H 1 2.824 0.05 . 2 . . . . 10 MET HG3 . 7080 1 141 . 1 1 11 11 MET HE1 H 1 2.142 0.05 . 1 . . . . 10 MET HE . 7080 1 142 . 1 1 11 11 MET HE2 H 1 2.142 0.05 . 1 . . . . 10 MET HE . 7080 1 143 . 1 1 11 11 MET HE3 H 1 2.142 0.05 . 1 . . . . 10 MET HE . 7080 1 144 . 1 1 11 11 MET C C 13 178.653 0.5 . 1 . . . . 10 MET C . 7080 1 145 . 1 1 11 11 MET CA C 13 58.527 0.5 . 1 . . . . 10 MET CA . 7080 1 146 . 1 1 11 11 MET CB C 13 32.274 0.5 . 1 . . . . 10 MET CB . 7080 1 147 . 1 1 11 11 MET CG C 13 32.045 0.5 . 1 . . . . 10 MET CG . 7080 1 148 . 1 1 11 11 MET CE C 13 16.986 0.5 . 1 . . . . 10 MET CE . 7080 1 149 . 1 1 11 11 MET N N 15 119.027 0.5 . 1 . . . . 10 MET N . 7080 1 150 . 1 1 12 12 LEU H H 1 8.226 0.05 . 1 . . . . 11 LEU H . 7080 1 151 . 1 1 12 12 LEU HA H 1 4.194 0.05 . 1 . . . . 11 LEU HA . 7080 1 152 . 1 1 12 12 LEU HB2 H 1 1.467 0.05 . 2 . . . . 11 LEU HB2 . 7080 1 153 . 1 1 12 12 LEU HB3 H 1 2.056 0.05 . 2 . . . . 11 LEU HB3 . 7080 1 154 . 1 1 12 12 LEU HG H 1 1.813 0.05 . 1 . . . . 11 LEU HG . 7080 1 155 . 1 1 12 12 LEU HD11 H 1 0.936 0.05 . 2 . . . . 11 LEU HD1 . 7080 1 156 . 1 1 12 12 LEU HD12 H 1 0.936 0.05 . 2 . . . . 11 LEU HD1 . 7080 1 157 . 1 1 12 12 LEU HD13 H 1 0.936 0.05 . 2 . . . . 11 LEU HD1 . 7080 1 158 . 1 1 12 12 LEU HD21 H 1 0.973 0.05 . 2 . . . . 11 LEU HD2 . 7080 1 159 . 1 1 12 12 LEU HD22 H 1 0.973 0.05 . 2 . . . . 11 LEU HD2 . 7080 1 160 . 1 1 12 12 LEU HD23 H 1 0.973 0.05 . 2 . . . . 11 LEU HD2 . 7080 1 161 . 1 1 12 12 LEU C C 13 179.512 0.5 . 1 . . . . 11 LEU C . 7080 1 162 . 1 1 12 12 LEU CA C 13 57.939 0.5 . 1 . . . . 11 LEU CA . 7080 1 163 . 1 1 12 12 LEU CB C 13 43.132 0.5 . 1 . . . . 11 LEU CB . 7080 1 164 . 1 1 12 12 LEU CG C 13 27.256 0.5 . 1 . . . . 11 LEU CG . 7080 1 165 . 1 1 12 12 LEU CD1 C 13 24.437 0.5 . 2 . . . . 11 LEU CD1 . 7080 1 166 . 1 1 12 12 LEU CD2 C 13 26.117 0.5 . 2 . . . . 11 LEU CD2 . 7080 1 167 . 1 1 12 12 LEU N N 15 121.084 0.5 . 1 . . . . 11 LEU N . 7080 1 168 . 1 1 13 13 LYS H H 1 8.343 0.05 . 1 . . . . 12 LYS H . 7080 1 169 . 1 1 13 13 LYS HA H 1 3.966 0.05 . 1 . . . . 12 LYS HA . 7080 1 170 . 1 1 13 13 LYS HB2 H 1 1.913 0.05 . 1 . . . . 12 LYS HB2 . 7080 1 171 . 1 1 13 13 LYS HB3 H 1 1.913 0.05 . 1 . . . . 12 LYS HB3 . 7080 1 172 . 1 1 13 13 LYS HG2 H 1 1.465 0.05 . 2 . . . . 12 LYS HG2 . 7080 1 173 . 1 1 13 13 LYS HG3 H 1 1.581 0.05 . 2 . . . . 12 LYS HG3 . 7080 1 174 . 1 1 13 13 LYS HD2 H 1 1.693 0.05 . 1 . . . . 12 LYS HD2 . 7080 1 175 . 1 1 13 13 LYS HD3 H 1 1.693 0.05 . 1 . . . . 12 LYS HD3 . 7080 1 176 . 1 1 13 13 LYS HE2 H 1 2.962 0.05 . 1 . . . . 12 LYS HE2 . 7080 1 177 . 1 1 13 13 LYS HE3 H 1 2.962 0.05 . 1 . . . . 12 LYS HE3 . 7080 1 178 . 1 1 13 13 LYS C C 13 179.347 0.5 . 1 . . . . 12 LYS C . 7080 1 179 . 1 1 13 13 LYS CA C 13 59.828 0.5 . 1 . . . . 12 LYS CA . 7080 1 180 . 1 1 13 13 LYS CB C 13 32.394 0.5 . 1 . . . . 12 LYS CB . 7080 1 181 . 1 1 13 13 LYS CG C 13 25.418 0.5 . 1 . . . . 12 LYS CG . 7080 1 182 . 1 1 13 13 LYS CD C 13 29.383 0.5 . 1 . . . . 12 LYS CD . 7080 1 183 . 1 1 13 13 LYS CE C 13 42.166 0.5 . 1 . . . . 12 LYS CE . 7080 1 184 . 1 1 13 13 LYS N N 15 119.607 0.5 . 1 . . . . 12 LYS N . 7080 1 185 . 1 1 14 14 LEU H H 1 7.983 0.05 . 1 . . . . 13 LEU H . 7080 1 186 . 1 1 14 14 LEU HA H 1 4.213 0.05 . 1 . . . . 13 LEU HA . 7080 1 187 . 1 1 14 14 LEU HB2 H 1 1.835 0.05 . 2 . . . . 13 LEU HB2 . 7080 1 188 . 1 1 14 14 LEU HB3 H 1 1.818 0.05 . 2 . . . . 13 LEU HB3 . 7080 1 189 . 1 1 14 14 LEU HG H 1 1.721 0.05 . 1 . . . . 13 LEU HG . 7080 1 190 . 1 1 14 14 LEU HD11 H 1 0.934 0.05 . 2 . . . . 13 LEU HD1 . 7080 1 191 . 1 1 14 14 LEU HD12 H 1 0.934 0.05 . 2 . . . . 13 LEU HD1 . 7080 1 192 . 1 1 14 14 LEU HD13 H 1 0.934 0.05 . 2 . . . . 13 LEU HD1 . 7080 1 193 . 1 1 14 14 LEU HD21 H 1 0.944 0.05 . 2 . . . . 13 LEU HD2 . 7080 1 194 . 1 1 14 14 LEU HD22 H 1 0.944 0.05 . 2 . . . . 13 LEU HD2 . 7080 1 195 . 1 1 14 14 LEU HD23 H 1 0.944 0.05 . 2 . . . . 13 LEU HD2 . 7080 1 196 . 1 1 14 14 LEU C C 13 179.466 0.5 . 1 . . . . 13 LEU C . 7080 1 197 . 1 1 14 14 LEU CA C 13 57.998 0.5 . 1 . . . . 13 LEU CA . 7080 1 198 . 1 1 14 14 LEU CB C 13 41.674 0.5 . 1 . . . . 13 LEU CB . 7080 1 199 . 1 1 14 14 LEU CG C 13 27.07 0.5 . 1 . . . . 13 LEU CG . 7080 1 200 . 1 1 14 14 LEU CD1 C 13 24.27 0.5 . 2 . . . . 13 LEU CD1 . 7080 1 201 . 1 1 14 14 LEU CD2 C 13 23.354 0.5 . 2 . . . . 13 LEU CD2 . 7080 1 202 . 1 1 14 14 LEU N N 15 121.955 0.5 . 1 . . . . 13 LEU N . 7080 1 203 . 1 1 15 15 ASP H H 1 8.49 0.05 . 1 . . . . 14 ASP H . 7080 1 204 . 1 1 15 15 ASP HA H 1 4.58 0.05 . 1 . . . . 14 ASP HA . 7080 1 205 . 1 1 15 15 ASP HB2 H 1 2.643 0.05 . 2 . . . . 14 ASP HB2 . 7080 1 206 . 1 1 15 15 ASP HB3 H 1 2.902 0.05 . 2 . . . . 14 ASP HB3 . 7080 1 207 . 1 1 15 15 ASP C C 13 178.851 0.5 . 1 . . . . 14 ASP C . 7080 1 208 . 1 1 15 15 ASP CA C 13 57.55 0.5 . 1 . . . . 14 ASP CA . 7080 1 209 . 1 1 15 15 ASP CB C 13 40.243 0.5 . 1 . . . . 14 ASP CB . 7080 1 210 . 1 1 15 15 ASP N N 15 121.245 0.5 . 1 . . . . 14 ASP N . 7080 1 211 . 1 1 16 16 ASN H H 1 8.513 0.05 . 1 . . . . 15 ASN H . 7080 1 212 . 1 1 16 16 ASN HA H 1 4.374 0.05 . 1 . . . . 15 ASN HA . 7080 1 213 . 1 1 16 16 ASN HB2 H 1 2.824 0.05 . 2 . . . . 15 ASN HB2 . 7080 1 214 . 1 1 16 16 ASN HB3 H 1 3.272 0.05 . 2 . . . . 15 ASN HB3 . 7080 1 215 . 1 1 16 16 ASN HD21 H 1 7.066 0.05 . 2 . . . . 15 ASN HD21 . 7080 1 216 . 1 1 16 16 ASN HD22 H 1 7.978 0.05 . 2 . . . . 15 ASN HD22 . 7080 1 217 . 1 1 16 16 ASN C C 13 176.71 0.5 . 1 . . . . 15 ASN C . 7080 1 218 . 1 1 16 16 ASN CA C 13 57.393 0.5 . 1 . . . . 15 ASN CA . 7080 1 219 . 1 1 16 16 ASN CB C 13 38.74 0.5 . 1 . . . . 15 ASN CB . 7080 1 220 . 1 1 16 16 ASN N N 15 120.031 0.5 . 1 . . . . 15 ASN N . 7080 1 221 . 1 1 16 16 ASN ND2 N 15 108.136 0.5 . 1 . . . . 15 ASN ND2 . 7080 1 222 . 1 1 17 17 TYR H H 1 8.143 0.05 . 1 . . . . 16 TYR H . 7080 1 223 . 1 1 17 17 TYR HA H 1 4.414 0.05 . 1 . . . . 16 TYR HA . 7080 1 224 . 1 1 17 17 TYR HB2 H 1 3.257 0.05 . 1 . . . . 16 TYR HB2 . 7080 1 225 . 1 1 17 17 TYR HB3 H 1 3.257 0.05 . 1 . . . . 16 TYR HB3 . 7080 1 226 . 1 1 17 17 TYR HD1 H 1 7.073 0.05 . 1 . . . . 16 TYR HD1 . 7080 1 227 . 1 1 17 17 TYR HD2 H 1 7.073 0.05 . 1 . . . . 16 TYR HD2 . 7080 1 228 . 1 1 17 17 TYR HE1 H 1 6.878 0.05 . 1 . . . . 16 TYR HE1 . 7080 1 229 . 1 1 17 17 TYR HE2 H 1 6.878 0.05 . 1 . . . . 16 TYR HE2 . 7080 1 230 . 1 1 17 17 TYR C C 13 178.112 0.5 . 1 . . . . 16 TYR C . 7080 1 231 . 1 1 17 17 TYR CA C 13 60.61 0.5 . 1 . . . . 16 TYR CA . 7080 1 232 . 1 1 17 17 TYR CB C 13 38.073 0.5 . 1 . . . . 16 TYR CB . 7080 1 233 . 1 1 17 17 TYR N N 15 120.916 0.5 . 1 . . . . 16 TYR N . 7080 1 234 . 1 1 18 18 HIS H H 1 8.299 0.05 . 1 . . . . 17 HIS H . 7080 1 235 . 1 1 18 18 HIS HA H 1 4.415 0.05 . 1 . . . . 17 HIS HA . 7080 1 236 . 1 1 18 18 HIS HB2 H 1 3.403 0.05 . 2 . . . . 17 HIS HB2 . 7080 1 237 . 1 1 18 18 HIS HB3 H 1 3.434 0.05 . 2 . . . . 17 HIS HB3 . 7080 1 238 . 1 1 18 18 HIS HD2 H 1 7.309 0.05 . 1 . . . . 17 HIS HD2 . 7080 1 239 . 1 1 18 18 HIS HE1 H 1 8.412 0.05 . 1 . . . . 17 HIS HE1 . 7080 1 240 . 1 1 18 18 HIS C C 13 178.828 0.5 . 1 . . . . 17 HIS C . 7080 1 241 . 1 1 18 18 HIS CA C 13 58.947 0.5 . 1 . . . . 17 HIS CA . 7080 1 242 . 1 1 18 18 HIS CB C 13 29.119 0.5 . 1 . . . . 17 HIS CB . 7080 1 243 . 1 1 18 18 HIS N N 15 118.377 0.5 . 1 . . . . 17 HIS N . 7080 1 244 . 1 1 19 19 LEU H H 1 8.825 0.05 . 1 . . . . 18 LEU H . 7080 1 245 . 1 1 19 19 LEU HA H 1 3.976 0.05 . 1 . . . . 18 LEU HA . 7080 1 246 . 1 1 19 19 LEU HB2 H 1 1.337 0.05 . 2 . . . . 18 LEU HB2 . 7080 1 247 . 1 1 19 19 LEU HB3 H 1 2.13 0.05 . 2 . . . . 18 LEU HB3 . 7080 1 248 . 1 1 19 19 LEU HG H 1 1.943 0.05 . 1 . . . . 18 LEU HG . 7080 1 249 . 1 1 19 19 LEU HD11 H 1 0.88 0.05 . 2 . . . . 18 LEU HD1 . 7080 1 250 . 1 1 19 19 LEU HD12 H 1 0.88 0.05 . 2 . . . . 18 LEU HD1 . 7080 1 251 . 1 1 19 19 LEU HD13 H 1 0.88 0.05 . 2 . . . . 18 LEU HD1 . 7080 1 252 . 1 1 19 19 LEU HD21 H 1 0.986 0.05 . 2 . . . . 18 LEU HD2 . 7080 1 253 . 1 1 19 19 LEU HD22 H 1 0.986 0.05 . 2 . . . . 18 LEU HD2 . 7080 1 254 . 1 1 19 19 LEU HD23 H 1 0.986 0.05 . 2 . . . . 18 LEU HD2 . 7080 1 255 . 1 1 19 19 LEU C C 13 178.971 0.5 . 1 . . . . 18 LEU C . 7080 1 256 . 1 1 19 19 LEU CA C 13 58.12 0.5 . 1 . . . . 18 LEU CA . 7080 1 257 . 1 1 19 19 LEU CB C 13 43.671 0.5 . 1 . . . . 18 LEU CB . 7080 1 258 . 1 1 19 19 LEU CG C 13 27.377 0.5 . 1 . . . . 18 LEU CG . 7080 1 259 . 1 1 19 19 LEU CD1 C 13 23.39 0.5 . 2 . . . . 18 LEU CD1 . 7080 1 260 . 1 1 19 19 LEU CD2 C 13 26.211 0.5 . 2 . . . . 18 LEU CD2 . 7080 1 261 . 1 1 19 19 LEU N N 15 121.87 0.5 . 1 . . . . 18 LEU N . 7080 1 262 . 1 1 20 20 GLU H H 1 8.916 0.05 . 1 . . . . 19 GLU H . 7080 1 263 . 1 1 20 20 GLU HA H 1 3.924 0.05 . 1 . . . . 19 GLU HA . 7080 1 264 . 1 1 20 20 GLU HB2 H 1 1.998 0.05 . 2 . . . . 19 GLU HB2 . 7080 1 265 . 1 1 20 20 GLU HB3 H 1 2.228 0.05 . 2 . . . . 19 GLU HB3 . 7080 1 266 . 1 1 20 20 GLU HG2 H 1 2.265 0.05 . 2 . . . . 19 GLU HG2 . 7080 1 267 . 1 1 20 20 GLU HG3 H 1 2.501 0.05 . 2 . . . . 19 GLU HG3 . 7080 1 268 . 1 1 20 20 GLU C C 13 180.564 0.5 . 1 . . . . 19 GLU C . 7080 1 269 . 1 1 20 20 GLU CA C 13 59.985 0.5 . 1 . . . . 19 GLU CA . 7080 1 270 . 1 1 20 20 GLU CB C 13 29.321 0.5 . 1 . . . . 19 GLU CB . 7080 1 271 . 1 1 20 20 GLU CG C 13 36.625 0.5 . 1 . . . . 19 GLU CG . 7080 1 272 . 1 1 20 20 GLU N N 15 120.18 0.5 . 1 . . . . 19 GLU N . 7080 1 273 . 1 1 21 21 ASN H H 1 7.843 0.05 . 1 . . . . 20 ASN H . 7080 1 274 . 1 1 21 21 ASN HA H 1 4.452 0.05 . 1 . . . . 20 ASN HA . 7080 1 275 . 1 1 21 21 ASN HB2 H 1 2.752 0.05 . 2 . . . . 20 ASN HB2 . 7080 1 276 . 1 1 21 21 ASN HB3 H 1 2.895 0.05 . 2 . . . . 20 ASN HB3 . 7080 1 277 . 1 1 21 21 ASN HD21 H 1 5.687 0.05 . 2 . . . . 20 ASN HD21 . 7080 1 278 . 1 1 21 21 ASN HD22 H 1 7.507 0.05 . 2 . . . . 20 ASN HD22 . 7080 1 279 . 1 1 21 21 ASN C C 13 178.143 0.5 . 1 . . . . 20 ASN C . 7080 1 280 . 1 1 21 21 ASN CA C 13 55.956 0.5 . 1 . . . . 20 ASN CA . 7080 1 281 . 1 1 21 21 ASN CB C 13 37.667 0.5 . 1 . . . . 20 ASN CB . 7080 1 282 . 1 1 21 21 ASN N N 15 119.089 0.5 . 1 . . . . 20 ASN N . 7080 1 283 . 1 1 21 21 ASN ND2 N 15 111.355 0.5 . 1 . . . . 20 ASN ND2 . 7080 1 284 . 1 1 22 22 GLU H H 1 8.157 0.05 . 1 . . . . 21 GLU H . 7080 1 285 . 1 1 22 22 GLU HA H 1 4.511 0.05 . 1 . . . . 21 GLU HA . 7080 1 286 . 1 1 22 22 GLU HB2 H 1 2.006 0.05 . 2 . . . . 21 GLU HB2 . 7080 1 287 . 1 1 22 22 GLU HB3 H 1 2.212 0.05 . 2 . . . . 21 GLU HB3 . 7080 1 288 . 1 1 22 22 GLU HG2 H 1 2.183 0.05 . 2 . . . . 21 GLU HG2 . 7080 1 289 . 1 1 22 22 GLU HG3 H 1 2.207 0.05 . 2 . . . . 21 GLU HG3 . 7080 1 290 . 1 1 22 22 GLU C C 13 178.375 0.5 . 1 . . . . 21 GLU C . 7080 1 291 . 1 1 22 22 GLU CA C 13 58.529 0.5 . 1 . . . . 21 GLU CA . 7080 1 292 . 1 1 22 22 GLU CB C 13 30.062 0.5 . 1 . . . . 21 GLU CB . 7080 1 293 . 1 1 22 22 GLU CG C 13 35.881 0.5 . 1 . . . . 21 GLU CG . 7080 1 294 . 1 1 22 22 GLU N N 15 124.587 0.5 . 1 . . . . 21 GLU N . 7080 1 295 . 1 1 23 23 VAL H H 1 8.765 0.05 . 1 . . . . 22 VAL H . 7080 1 296 . 1 1 23 23 VAL HA H 1 3.399 0.05 . 1 . . . . 22 VAL HA . 7080 1 297 . 1 1 23 23 VAL HB H 1 2.148 0.05 . 1 . . . . 22 VAL HB . 7080 1 298 . 1 1 23 23 VAL HG11 H 1 0.899 0.05 . 2 . . . . 22 VAL HG1 . 7080 1 299 . 1 1 23 23 VAL HG12 H 1 0.899 0.05 . 2 . . . . 22 VAL HG1 . 7080 1 300 . 1 1 23 23 VAL HG13 H 1 0.899 0.05 . 2 . . . . 22 VAL HG1 . 7080 1 301 . 1 1 23 23 VAL HG21 H 1 1.047 0.05 . 2 . . . . 22 VAL HG2 . 7080 1 302 . 1 1 23 23 VAL HG22 H 1 1.047 0.05 . 2 . . . . 22 VAL HG2 . 7080 1 303 . 1 1 23 23 VAL HG23 H 1 1.047 0.05 . 2 . . . . 22 VAL HG2 . 7080 1 304 . 1 1 23 23 VAL C C 13 177.642 0.5 . 1 . . . . 22 VAL C . 7080 1 305 . 1 1 23 23 VAL CA C 13 67.683 0.5 . 1 . . . . 22 VAL CA . 7080 1 306 . 1 1 23 23 VAL CB C 13 31.805 0.5 . 1 . . . . 22 VAL CB . 7080 1 307 . 1 1 23 23 VAL CG1 C 13 21.541 0.5 . 2 . . . . 22 VAL CG1 . 7080 1 308 . 1 1 23 23 VAL CG2 C 13 25.599 0.5 . 2 . . . . 22 VAL CG2 . 7080 1 309 . 1 1 23 23 VAL N N 15 120.659 0.5 . 1 . . . . 22 VAL N . 7080 1 310 . 1 1 24 24 ALA H H 1 7.81 0.05 . 1 . . . . 23 ALA H . 7080 1 311 . 1 1 24 24 ALA HA H 1 4.024 0.05 . 1 . . . . 23 ALA HA . 7080 1 312 . 1 1 24 24 ALA HB1 H 1 1.507 0.05 . 1 . . . . 23 ALA HB . 7080 1 313 . 1 1 24 24 ALA HB2 H 1 1.507 0.05 . 1 . . . . 23 ALA HB . 7080 1 314 . 1 1 24 24 ALA HB3 H 1 1.507 0.05 . 1 . . . . 23 ALA HB . 7080 1 315 . 1 1 24 24 ALA C C 13 180.69 0.5 . 1 . . . . 23 ALA C . 7080 1 316 . 1 1 24 24 ALA CA C 13 55.402 0.5 . 1 . . . . 23 ALA CA . 7080 1 317 . 1 1 24 24 ALA CB C 13 18.025 0.5 . 1 . . . . 23 ALA CB . 7080 1 318 . 1 1 24 24 ALA N N 15 120.035 0.5 . 1 . . . . 23 ALA N . 7080 1 319 . 1 1 25 25 ARG H H 1 8.026 0.05 . 1 . . . . 24 ARG H . 7080 1 320 . 1 1 25 25 ARG HA H 1 3.977 0.05 . 1 . . . . 24 ARG HA . 7080 1 321 . 1 1 25 25 ARG HB2 H 1 1.897 0.05 . 2 . . . . 24 ARG HB2 . 7080 1 322 . 1 1 25 25 ARG HB3 H 1 2.189 0.05 . 2 . . . . 24 ARG HB3 . 7080 1 323 . 1 1 25 25 ARG HG2 H 1 1.646 0.05 . 2 . . . . 24 ARG HG2 . 7080 1 324 . 1 1 25 25 ARG HG3 H 1 1.344 0.05 . 2 . . . . 24 ARG HG3 . 7080 1 325 . 1 1 25 25 ARG HD2 H 1 3.031 0.05 . 2 . . . . 24 ARG HD2 . 7080 1 326 . 1 1 25 25 ARG HD3 H 1 3.462 0.05 . 2 . . . . 24 ARG HD3 . 7080 1 327 . 1 1 25 25 ARG C C 13 179.67 0.5 . 1 . . . . 24 ARG C . 7080 1 328 . 1 1 25 25 ARG CA C 13 59.498 0.5 . 1 . . . . 24 ARG CA . 7080 1 329 . 1 1 25 25 ARG CB C 13 30.81 0.5 . 1 . . . . 24 ARG CB . 7080 1 330 . 1 1 25 25 ARG CG C 13 27.503 0.5 . 1 . . . . 24 ARG CG . 7080 1 331 . 1 1 25 25 ARG CD C 13 42.813 0.5 . 1 . . . . 24 ARG CD . 7080 1 332 . 1 1 25 25 ARG N N 15 120.122 0.5 . 1 . . . . 24 ARG N . 7080 1 333 . 1 1 26 26 LEU H H 1 8.543 0.05 . 1 . . . . 25 LEU H . 7080 1 334 . 1 1 26 26 LEU HA H 1 3.975 0.05 . 1 . . . . 25 LEU HA . 7080 1 335 . 1 1 26 26 LEU HB2 H 1 1.347 0.05 . 2 . . . . 25 LEU HB2 . 7080 1 336 . 1 1 26 26 LEU HB3 H 1 1.999 0.05 . 2 . . . . 25 LEU HB3 . 7080 1 337 . 1 1 26 26 LEU HG H 1 1.683 0.05 . 1 . . . . 25 LEU HG . 7080 1 338 . 1 1 26 26 LEU HD11 H 1 0.838 0.05 . 2 . . . . 25 LEU HD1 . 7080 1 339 . 1 1 26 26 LEU HD12 H 1 0.838 0.05 . 2 . . . . 25 LEU HD1 . 7080 1 340 . 1 1 26 26 LEU HD13 H 1 0.838 0.05 . 2 . . . . 25 LEU HD1 . 7080 1 341 . 1 1 26 26 LEU HD21 H 1 0.952 0.05 . 2 . . . . 25 LEU HD2 . 7080 1 342 . 1 1 26 26 LEU HD22 H 1 0.952 0.05 . 2 . . . . 25 LEU HD2 . 7080 1 343 . 1 1 26 26 LEU HD23 H 1 0.952 0.05 . 2 . . . . 25 LEU HD2 . 7080 1 344 . 1 1 26 26 LEU C C 13 179.276 0.5 . 1 . . . . 25 LEU C . 7080 1 345 . 1 1 26 26 LEU CA C 13 58.036 0.5 . 1 . . . . 25 LEU CA . 7080 1 346 . 1 1 26 26 LEU CB C 13 43.878 0.5 . 1 . . . . 25 LEU CB . 7080 1 347 . 1 1 26 26 LEU CG C 13 27.854 0.5 . 1 . . . . 25 LEU CG . 7080 1 348 . 1 1 26 26 LEU CD1 C 13 23.722 0.5 . 2 . . . . 25 LEU CD1 . 7080 1 349 . 1 1 26 26 LEU CD2 C 13 27.922 0.5 . 2 . . . . 25 LEU CD2 . 7080 1 350 . 1 1 26 26 LEU N N 15 120.86 0.5 . 1 . . . . 25 LEU N . 7080 1 351 . 1 1 27 27 LYS H H 1 9.089 0.05 . 1 . . . . 26 LYS H . 7080 1 352 . 1 1 27 27 LYS HA H 1 3.839 0.05 . 1 . . . . 26 LYS HA . 7080 1 353 . 1 1 27 27 LYS HB2 H 1 1.844 0.05 . 1 . . . . 26 LYS HB2 . 7080 1 354 . 1 1 27 27 LYS HB3 H 1 1.844 0.05 . 1 . . . . 26 LYS HB3 . 7080 1 355 . 1 1 27 27 LYS HG2 H 1 1.322 0.05 . 2 . . . . 26 LYS HG2 . 7080 1 356 . 1 1 27 27 LYS HG3 H 1 1.827 0.05 . 2 . . . . 26 LYS HG3 . 7080 1 357 . 1 1 27 27 LYS HD2 H 1 1.636 0.05 . 2 . . . . 26 LYS HD2 . 7080 1 358 . 1 1 27 27 LYS HD3 H 1 1.493 0.05 . 2 . . . . 26 LYS HD3 . 7080 1 359 . 1 1 27 27 LYS HE2 H 1 2.834 0.05 . 1 . . . . 26 LYS HE2 . 7080 1 360 . 1 1 27 27 LYS HE3 H 1 2.834 0.05 . 1 . . . . 26 LYS HE3 . 7080 1 361 . 1 1 27 27 LYS C C 13 179.772 0.5 . 1 . . . . 26 LYS C . 7080 1 362 . 1 1 27 27 LYS CA C 13 60.933 0.5 . 1 . . . . 26 LYS CA . 7080 1 363 . 1 1 27 27 LYS CB C 13 32.502 0.5 . 1 . . . . 26 LYS CB . 7080 1 364 . 1 1 27 27 LYS CG C 13 27.614 0.5 . 1 . . . . 26 LYS CG . 7080 1 365 . 1 1 27 27 LYS CD C 13 29.764 0.5 . 1 . . . . 26 LYS CD . 7080 1 366 . 1 1 27 27 LYS CE C 13 41.852 0.5 . 1 . . . . 26 LYS CE . 7080 1 367 . 1 1 27 27 LYS N N 15 119.009 0.5 . 1 . . . . 26 LYS N . 7080 1 368 . 1 1 28 28 LYS H H 1 7.42 0.05 . 1 . . . . 27 LYS H . 7080 1 369 . 1 1 28 28 LYS HA H 1 4.144 0.05 . 2 . . . . 27 LYS HA . 7080 1 370 . 1 1 28 28 LYS HB2 H 1 1.987 0.05 . 2 . . . . 27 LYS HB2 . 7080 1 371 . 1 1 28 28 LYS HB3 H 1 1.901 0.05 . 2 . . . . 27 LYS HB3 . 7080 1 372 . 1 1 28 28 LYS HG2 H 1 1.563 0.05 . 2 . . . . 27 LYS HG2 . 7080 1 373 . 1 1 28 28 LYS HG3 H 1 1.607 0.05 . 2 . . . . 27 LYS HG3 . 7080 1 374 . 1 1 28 28 LYS HD2 H 1 1.712 0.05 . 1 . . . . 27 LYS HD2 . 7080 1 375 . 1 1 28 28 LYS HD3 H 1 1.712 0.05 . 1 . . . . 27 LYS HD3 . 7080 1 376 . 1 1 28 28 LYS HE2 H 1 2.991 0.05 . 1 . . . . 27 LYS HE2 . 7080 1 377 . 1 1 28 28 LYS HE3 H 1 2.991 0.05 . 1 . . . . 27 LYS HE3 . 7080 1 378 . 1 1 28 28 LYS C C 13 179.179 0.5 . 1 . . . . 27 LYS C . 7080 1 379 . 1 1 28 28 LYS CA C 13 59.361 0.5 . 1 . . . . 27 LYS CA . 7080 1 380 . 1 1 28 28 LYS CB C 13 32.298 0.5 . 1 . . . . 27 LYS CB . 7080 1 381 . 1 1 28 28 LYS CG C 13 25.22 0.5 . 1 . . . . 27 LYS CG . 7080 1 382 . 1 1 28 28 LYS CD C 13 29.248 0.5 . 1 . . . . 27 LYS CD . 7080 1 383 . 1 1 28 28 LYS CE C 13 42.089 0.5 . 1 . . . . 27 LYS CE . 7080 1 384 . 1 1 28 28 LYS N N 15 117.84 0.5 . 1 . . . . 27 LYS N . 7080 1 385 . 1 1 29 29 LEU H H 1 7.49 0.05 . 1 . . . . 28 LEU H . 7080 1 386 . 1 1 29 29 LEU HA H 1 4.203 0.05 . 1 . . . . 28 LEU HA . 7080 1 387 . 1 1 29 29 LEU HB2 H 1 1.658 0.05 . 2 . . . . 28 LEU HB2 . 7080 1 388 . 1 1 29 29 LEU HB3 H 1 2.082 0.05 . 2 . . . . 28 LEU HB3 . 7080 1 389 . 1 1 29 29 LEU HG H 1 1.839 0.05 . 1 . . . . 28 LEU HG . 7080 1 390 . 1 1 29 29 LEU HD11 H 1 0.923 0.05 . 2 . . . . 28 LEU HD1 . 7080 1 391 . 1 1 29 29 LEU HD12 H 1 0.923 0.05 . 2 . . . . 28 LEU HD1 . 7080 1 392 . 1 1 29 29 LEU HD13 H 1 0.923 0.05 . 2 . . . . 28 LEU HD1 . 7080 1 393 . 1 1 29 29 LEU HD21 H 1 0.97 0.05 . 2 . . . . 28 LEU HD2 . 7080 1 394 . 1 1 29 29 LEU HD22 H 1 0.97 0.05 . 2 . . . . 28 LEU HD2 . 7080 1 395 . 1 1 29 29 LEU HD23 H 1 0.97 0.05 . 2 . . . . 28 LEU HD2 . 7080 1 396 . 1 1 29 29 LEU C C 13 179.374 0.5 . 1 . . . . 28 LEU C . 7080 1 397 . 1 1 29 29 LEU CA C 13 57.404 0.5 . 1 . . . . 28 LEU CA . 7080 1 398 . 1 1 29 29 LEU CB C 13 42.61 0.5 . 1 . . . . 28 LEU CB . 7080 1 399 . 1 1 29 29 LEU CG C 13 26.936 0.5 . 1 . . . . 28 LEU CG . 7080 1 400 . 1 1 29 29 LEU CD1 C 13 23.447 0.5 . 2 . . . . 28 LEU CD1 . 7080 1 401 . 1 1 29 29 LEU CD2 C 13 25.462 0.5 . 2 . . . . 28 LEU CD2 . 7080 1 402 . 1 1 29 29 LEU N N 15 119.087 0.5 . 1 . . . . 28 LEU N . 7080 1 403 . 1 1 30 30 VAL H H 1 7.839 0.05 . 1 . . . . 29 VAL H . 7080 1 404 . 1 1 30 30 VAL HA H 1 4.088 0.05 . 1 . . . . 29 VAL HA . 7080 1 405 . 1 1 30 30 VAL HB H 1 2.248 0.05 . 1 . . . . 29 VAL HB . 7080 1 406 . 1 1 30 30 VAL HG11 H 1 1.005 0.05 . 2 . . . . 29 VAL HG1 . 7080 1 407 . 1 1 30 30 VAL HG12 H 1 1.005 0.05 . 2 . . . . 29 VAL HG1 . 7080 1 408 . 1 1 30 30 VAL HG13 H 1 1.005 0.05 . 2 . . . . 29 VAL HG1 . 7080 1 409 . 1 1 30 30 VAL HG21 H 1 0.938 0.05 . 2 . . . . 29 VAL HG2 . 7080 1 410 . 1 1 30 30 VAL HG22 H 1 0.938 0.05 . 2 . . . . 29 VAL HG2 . 7080 1 411 . 1 1 30 30 VAL HG23 H 1 0.938 0.05 . 2 . . . . 29 VAL HG2 . 7080 1 412 . 1 1 30 30 VAL C C 13 176.948 0.5 . 1 . . . . 29 VAL C . 7080 1 413 . 1 1 30 30 VAL CA C 13 62.957 0.5 . 1 . . . . 29 VAL CA . 7080 1 414 . 1 1 30 30 VAL CB C 13 32.444 0.5 . 1 . . . . 29 VAL CB . 7080 1 415 . 1 1 30 30 VAL CG1 C 13 21.917 0.5 . 2 . . . . 29 VAL CG1 . 7080 1 416 . 1 1 30 30 VAL CG2 C 13 21.681 0.5 . 2 . . . . 29 VAL CG2 . 7080 1 417 . 1 1 30 30 VAL N N 15 114.1 0.5 . 1 . . . . 29 VAL N . 7080 1 418 . 1 1 31 31 GLY H H 1 7.9 0.05 . 1 . . . . 30 GLY H . 7080 1 419 . 1 1 31 31 GLY HA2 H 1 3.906 0.05 . 2 . . . . 30 GLY HA2 . 7080 1 420 . 1 1 31 31 GLY HA3 H 1 4.109 0.05 . 2 . . . . 30 GLY HA3 . 7080 1 421 . 1 1 31 31 GLY C C 13 174.808 0.5 . 1 . . . . 30 GLY C . 7080 1 422 . 1 1 31 31 GLY CA C 13 45.839 0.5 . 1 . . . . 30 GLY CA . 7080 1 423 . 1 1 31 31 GLY N N 15 109.329 0.5 . 1 . . . . 30 GLY N . 7080 1 424 . 1 1 32 32 GLU H H 1 8.015 0.05 . 1 . . . . 31 GLU H . 7080 1 425 . 1 1 32 32 GLU HA H 1 4.372 0.05 . 1 . . . . 31 GLU HA . 7080 1 426 . 1 1 32 32 GLU HB2 H 1 2.06 0.05 . 2 . . . . 31 GLU HB2 . 7080 1 427 . 1 1 32 32 GLU HB3 H 1 1.765 0.05 . 2 . . . . 31 GLU HB3 . 7080 1 428 . 1 1 32 32 GLU HG2 H 1 0 0.05 . 2 . . . . 31 GLU HG2 . 7080 1 429 . 1 1 32 32 GLU HG3 H 1 2.27 0.05 . 2 . . . . 31 GLU HG3 . 7080 1 430 . 1 1 32 32 GLU C C 13 175.553 0.5 . 1 . . . . 31 GLU C . 7080 1 431 . 1 1 32 32 GLU CA C 13 56.265 0.5 . 1 . . . . 31 GLU CA . 7080 1 432 . 1 1 32 32 GLU CB C 13 31.367 0.5 . 1 . . . . 31 GLU CB . 7080 1 433 . 1 1 32 32 GLU CG C 13 36.723 0.5 . 1 . . . . 31 GLU CG . 7080 1 434 . 1 1 32 32 GLU N N 15 120.923 0.5 . 1 . . . . 31 GLU N . 7080 1 435 . 1 1 33 33 ARG H H 1 8.033 0.05 . 1 . . . . 32 ARG H . 7080 1 436 . 1 1 33 33 ARG HA H 1 4.146 0.05 . 1 . . . . 32 ARG HA . 7080 1 437 . 1 1 33 33 ARG HB2 H 1 1.705 0.05 . 2 . . . . 32 ARG HB2 . 7080 1 438 . 1 1 33 33 ARG HB3 H 1 1.846 0.05 . 2 . . . . 32 ARG HB3 . 7080 1 439 . 1 1 33 33 ARG HG2 H 1 1.621 0.05 . 2 . . . . 32 ARG HG2 . 7080 1 440 . 1 1 33 33 ARG HG3 H 1 1.481 0.05 . 2 . . . . 32 ARG HG3 . 7080 1 441 . 1 1 33 33 ARG HD2 H 1 3.204 0.05 . 2 . . . . 32 ARG HD2 . 7080 1 442 . 1 1 33 33 ARG HD3 H 1 3.925 0.05 . 2 . . . . 32 ARG HD3 . 7080 1 443 . 1 1 33 33 ARG CA C 13 57.501 0.5 . 1 . . . . 32 ARG CA . 7080 1 444 . 1 1 33 33 ARG CB C 13 31.586 0.5 . 1 . . . . 32 ARG CB . 7080 1 445 . 1 1 33 33 ARG CG C 13 27.426 0.5 . 1 . . . . 32 ARG CG . 7080 1 446 . 1 1 33 33 ARG CD C 13 43.451 0.5 . 1 . . . . 32 ARG CD . 7080 1 447 . 1 1 33 33 ARG N N 15 127.4 0.5 . 1 . . . . 32 ARG N . 7080 1 448 . 2 2 1 1 GLY HA2 H 1 3.94 0.05 . 1 . . . . 248 GLY HA2 . 7080 1 449 . 2 2 1 1 GLY HA3 H 1 3.94 0.05 . 1 . . . . 248 GLY HA3 . 7080 1 450 . 2 2 1 1 GLY CA C 13 44.321 0.5 . 1 . . . . 248 GLY CA . 7080 1 451 . 2 2 2 2 CYS H H 1 8.474 0.05 . 1 . . . . 249 CYS H . 7080 1 452 . 2 2 2 2 CYS HA H 1 4.877 0.05 . 1 . . . . 249 CYS HA . 7080 1 453 . 2 2 2 2 CYS HB2 H 1 2.91 0.05 . 2 . . . . 249 CYS HB2 . 7080 1 454 . 2 2 2 2 CYS HB3 H 1 3.363 0.05 . 2 . . . . 249 CYS HB3 . 7080 1 455 . 2 2 2 2 CYS C C 13 175.539 0.5 . 1 . . . . 249 CYS C . 7080 1 456 . 2 2 2 2 CYS CA C 13 55.178 0.5 . 1 . . . . 249 CYS CA . 7080 1 457 . 2 2 2 2 CYS CB C 13 41.094 0.5 . 1 . . . . 249 CYS CB . 7080 1 458 . 2 2 2 2 CYS N N 15 117.971 0.5 . 1 . . . . 249 CYS N . 7080 1 459 . 2 2 3 3 GLY H H 1 8.697 0.05 . 1 . . . . 250 GLY H . 7080 1 460 . 2 2 3 3 GLY HA2 H 1 3.968 0.05 . 1 . . . . 250 GLY HA2 . 7080 1 461 . 2 2 3 3 GLY HA3 H 1 4.141 0.05 . 1 . . . . 250 GLY HA3 . 7080 1 462 . 2 2 3 3 GLY C C 13 173.945 0.5 . 1 . . . . 250 GLY C . 7080 1 463 . 2 2 3 3 GLY CA C 13 45.428 0.5 . 1 . . . . 250 GLY CA . 7080 1 464 . 2 2 3 3 GLY N N 15 111.626 0.5 . 1 . . . . 250 GLY N . 7080 1 465 . 2 2 4 4 LYS H H 1 8.258 0.05 . 1 . . . . 251 LYS H . 7080 1 466 . 2 2 4 4 LYS HA H 1 4.136 0.05 . 1 . . . . 251 LYS HA . 7080 1 467 . 2 2 4 4 LYS HB2 H 1 1.817 0.05 . 2 . . . . 251 LYS HB2 . 7080 1 468 . 2 2 4 4 LYS HB3 H 1 2.027 0.05 . 2 . . . . 251 LYS HB3 . 7080 1 469 . 2 2 4 4 LYS HG2 H 1 1.473 0.05 . 2 . . . . 251 LYS HG2 . 7080 1 470 . 2 2 4 4 LYS HG3 H 1 1.575 0.05 . 2 . . . . 251 LYS HG3 . 7080 1 471 . 2 2 4 4 LYS HD2 H 1 1.671 0.05 . 1 . . . . 251 LYS HD2 . 7080 1 472 . 2 2 4 4 LYS HD3 H 1 1.671 0.05 . 1 . . . . 251 LYS HD3 . 7080 1 473 . 2 2 4 4 LYS HE2 H 1 2.994 0.05 . 1 . . . . 251 LYS HE2 . 7080 1 474 . 2 2 4 4 LYS HE3 H 1 2.994 0.05 . 1 . . . . 251 LYS HE3 . 7080 1 475 . 2 2 4 4 LYS C C 13 176.905 0.5 . 1 . . . . 251 LYS C . 7080 1 476 . 2 2 4 4 LYS CA C 13 57.72 0.5 . 1 . . . . 251 LYS CA . 7080 1 477 . 2 2 4 4 LYS CB C 13 34.175 0.5 . 1 . . . . 251 LYS CB . 7080 1 478 . 2 2 4 4 LYS CG C 13 25.054 0.5 . 1 . . . . 251 LYS CG . 7080 1 479 . 2 2 4 4 LYS CD C 13 29.545 0.5 . 1 . . . . 251 LYS CD . 7080 1 480 . 2 2 4 4 LYS CE C 13 42.304 0.5 . 1 . . . . 251 LYS CE . 7080 1 481 . 2 2 4 4 LYS N N 15 121.661 0.5 . 1 . . . . 251 LYS N . 7080 1 482 . 2 2 5 5 SER H H 1 8.309 0.05 . 1 . . . . 252 SER H . 7080 1 483 . 2 2 5 5 SER HA H 1 4.237 0.05 . 1 . . . . 252 SER HA . 7080 1 484 . 2 2 5 5 SER HB2 H 1 3.787 0.05 . 1 . . . . 252 SER HB2 . 7080 1 485 . 2 2 5 5 SER HB3 H 1 3.787 0.05 . 1 . . . . 252 SER HB3 . 7080 1 486 . 2 2 5 5 SER C C 13 175.097 0.5 . 1 . . . . 252 SER C . 7080 1 487 . 2 2 5 5 SER CA C 13 62.532 0.5 . 1 . . . . 252 SER CA . 7080 1 488 . 2 2 5 5 SER CB C 13 62.752 0.5 . 1 . . . . 252 SER CB . 7080 1 489 . 2 2 5 5 SER N N 15 114.676 0.5 . 1 . . . . 252 SER N . 7080 1 490 . 2 2 6 6 ILE H H 1 8.203 0.05 . 1 . . . . 253 ILE H . 7080 1 491 . 2 2 6 6 ILE HA H 1 3.711 0.05 . 1 . . . . 253 ILE HA . 7080 1 492 . 2 2 6 6 ILE HB H 1 1.769 0.05 . 1 . . . . 253 ILE HB . 7080 1 493 . 2 2 6 6 ILE HG12 H 1 1.105 0.05 . 2 . . . . 253 ILE HG12 . 7080 1 494 . 2 2 6 6 ILE HG13 H 1 1.654 0.05 . 2 . . . . 253 ILE HG13 . 7080 1 495 . 2 2 6 6 ILE HG21 H 1 0.893 0.05 . 1 . . . . 253 ILE HG2 . 7080 1 496 . 2 2 6 6 ILE HG22 H 1 0.893 0.05 . 1 . . . . 253 ILE HG2 . 7080 1 497 . 2 2 6 6 ILE HG23 H 1 0.893 0.05 . 1 . . . . 253 ILE HG2 . 7080 1 498 . 2 2 6 6 ILE HD11 H 1 0.905 0.05 . 1 . . . . 253 ILE HD1 . 7080 1 499 . 2 2 6 6 ILE HD12 H 1 0.905 0.05 . 1 . . . . 253 ILE HD1 . 7080 1 500 . 2 2 6 6 ILE HD13 H 1 0.905 0.05 . 1 . . . . 253 ILE HD1 . 7080 1 501 . 2 2 6 6 ILE C C 13 180.763 0.5 . 1 . . . . 253 ILE C . 7080 1 502 . 2 2 6 6 ILE CA C 13 64.649 0.5 . 1 . . . . 253 ILE CA . 7080 1 503 . 2 2 6 6 ILE CB C 13 37.863 0.5 . 1 . . . . 253 ILE CB . 7080 1 504 . 2 2 6 6 ILE CG1 C 13 29.465 0.5 . 1 . . . . 253 ILE CG1 . 7080 1 505 . 2 2 6 6 ILE CG2 C 13 17.764 0.5 . 1 . . . . 253 ILE CG2 . 7080 1 506 . 2 2 6 6 ILE CD1 C 13 13.108 0.5 . 1 . . . . 253 ILE CD1 . 7080 1 507 . 2 2 6 6 ILE N N 15 118.979 0.5 . 1 . . . . 253 ILE N . 7080 1 508 . 2 2 7 7 ASP H H 1 8.882 0.05 . 1 . . . . 254 ASP H . 7080 1 509 . 2 2 7 7 ASP HA H 1 4.309 0.05 . 1 . . . . 254 ASP HA . 7080 1 510 . 2 2 7 7 ASP HB2 H 1 2.766 0.05 . 1 . . . . 254 ASP HB2 . 7080 1 511 . 2 2 7 7 ASP HB3 H 1 2.766 0.05 . 1 . . . . 254 ASP HB3 . 7080 1 512 . 2 2 7 7 ASP C C 13 177.111 0.5 . 1 . . . . 254 ASP C . 7080 1 513 . 2 2 7 7 ASP CA C 13 57.473 0.5 . 1 . . . . 254 ASP CA . 7080 1 514 . 2 2 7 7 ASP CB C 13 40.478 0.5 . 1 . . . . 254 ASP CB . 7080 1 515 . 2 2 7 7 ASP N N 15 120.036 0.5 . 1 . . . . 254 ASP N . 7080 1 516 . 2 2 8 8 ASP H H 1 8.359 0.05 . 1 . . . . 255 ASP H . 7080 1 517 . 2 2 8 8 ASP HA H 1 4.421 0.05 . 1 . . . . 255 ASP HA . 7080 1 518 . 2 2 8 8 ASP HB2 H 1 2.758 0.05 . 2 . . . . 255 ASP HB2 . 7080 1 519 . 2 2 8 8 ASP HB3 H 1 2.951 0.05 . 2 . . . . 255 ASP HB3 . 7080 1 520 . 2 2 8 8 ASP C C 13 177.321 0.5 . 1 . . . . 255 ASP C . 7080 1 521 . 2 2 8 8 ASP CA C 13 57.392 0.5 . 1 . . . . 255 ASP CA . 7080 1 522 . 2 2 8 8 ASP CB C 13 40.466 0.5 . 1 . . . . 255 ASP CB . 7080 1 523 . 2 2 8 8 ASP N N 15 118.929 0.5 . 1 . . . . 255 ASP N . 7080 1 524 . 2 2 9 9 LEU H H 1 7.739 0.05 . 1 . . . . 256 LEU H . 7080 1 525 . 2 2 9 9 LEU HA H 1 4.206 0.05 . 1 . . . . 256 LEU HA . 7080 1 526 . 2 2 9 9 LEU HB2 H 1 1.412 0.05 . 2 . . . . 256 LEU HB2 . 7080 1 527 . 2 2 9 9 LEU HB3 H 1 2.078 0.05 . 2 . . . . 256 LEU HB3 . 7080 1 528 . 2 2 9 9 LEU HG H 1 1.775 0.05 . 2 . . . . 256 LEU HG . 7080 1 529 . 2 2 9 9 LEU HD11 H 1 0.987 0.05 . 2 . . . . 256 LEU HD1 . 7080 1 530 . 2 2 9 9 LEU HD12 H 1 0.987 0.05 . 2 . . . . 256 LEU HD1 . 7080 1 531 . 2 2 9 9 LEU HD13 H 1 0.987 0.05 . 2 . . . . 256 LEU HD1 . 7080 1 532 . 2 2 9 9 LEU HD21 H 1 0.884 0.05 . 2 . . . . 256 LEU HD2 . 7080 1 533 . 2 2 9 9 LEU HD22 H 1 0.884 0.05 . 2 . . . . 256 LEU HD2 . 7080 1 534 . 2 2 9 9 LEU HD23 H 1 0.884 0.05 . 2 . . . . 256 LEU HD2 . 7080 1 535 . 2 2 9 9 LEU C C 13 176.267 0.5 . 1 . . . . 256 LEU C . 7080 1 536 . 2 2 9 9 LEU CA C 13 58.18 0.5 . 1 . . . . 256 LEU CA . 7080 1 537 . 2 2 9 9 LEU CB C 13 43.286 0.5 . 1 . . . . 256 LEU CB . 7080 1 538 . 2 2 9 9 LEU CG C 13 28.106 0.5 . 1 . . . . 256 LEU CG . 7080 1 539 . 2 2 9 9 LEU CD1 C 13 27.117 0.5 . 1 . . . . 256 LEU CD1 . 7080 1 540 . 2 2 9 9 LEU CD2 C 13 24.107 0.5 . 1 . . . . 256 LEU CD2 . 7080 1 541 . 2 2 9 9 LEU N N 15 122.718 0.5 . 1 . . . . 256 LEU N . 7080 1 542 . 2 2 10 10 GLU H H 1 8.888 0.05 . 1 . . . . 257 GLU H . 7080 1 543 . 2 2 10 10 GLU HA H 1 4.1 0.05 . 1 . . . . 257 GLU HA . 7080 1 544 . 2 2 10 10 GLU HB2 H 1 2.091 0.05 . 2 . . . . 257 GLU HB2 . 7080 1 545 . 2 2 10 10 GLU HB3 H 1 2.039 0.05 . 2 . . . . 257 GLU HB3 . 7080 1 546 . 2 2 10 10 GLU HG2 H 1 2.232 0.05 . 2 . . . . 257 GLU HG2 . 7080 1 547 . 2 2 10 10 GLU HG3 H 1 2.539 0.05 . 2 . . . . 257 GLU HG3 . 7080 1 548 . 2 2 10 10 GLU C C 13 180.744 0.5 . 1 . . . . 257 GLU C . 7080 1 549 . 2 2 10 10 GLU CA C 13 60.366 0.5 . 1 . . . . 257 GLU CA . 7080 1 550 . 2 2 10 10 GLU CB C 13 29.396 0.5 . 1 . . . . 257 GLU CB . 7080 1 551 . 2 2 10 10 GLU CG C 13 37.054 0.5 . 1 . . . . 257 GLU CG . 7080 1 552 . 2 2 10 10 GLU N N 15 120.038 0.5 . 1 . . . . 257 GLU N . 7080 1 553 . 2 2 11 11 ASP H H 1 8.345 0.05 . 1 . . . . 258 ASP H . 7080 1 554 . 2 2 11 11 ASP HA H 1 4.598 0.05 . 1 . . . . 258 ASP HA . 7080 1 555 . 2 2 11 11 ASP HB2 H 1 2.745 0.05 . 2 . . . . 258 ASP HB2 . 7080 1 556 . 2 2 11 11 ASP HB3 H 1 2.965 0.05 . 2 . . . . 258 ASP HB3 . 7080 1 557 . 2 2 11 11 ASP C C 13 179.352 0.5 . . . . . . 258 ASP C . 7080 1 558 . 2 2 11 11 ASP CA C 13 57.618 0.5 . 1 . . . . 258 ASP CA . 7080 1 559 . 2 2 11 11 ASP CB C 13 40.493 0.5 . 1 . . . . 258 ASP CB . 7080 1 560 . 2 2 11 11 ASP N N 15 121.501 0.5 . 1 . . . . 258 ASP N . 7080 1 561 . 2 2 12 12 GLU H H 1 8.207 0.05 . 1 . . . . 259 GLU H . 7080 1 562 . 2 2 12 12 GLU HA H 1 4.174 0.05 . 1 . . . . 259 GLU HA . 7080 1 563 . 2 2 12 12 GLU HB2 H 1 2.164 0.05 . 2 . . . . 259 GLU HB2 . 7080 1 564 . 2 2 12 12 GLU HB3 H 1 2.24 0.05 . 2 . . . . 259 GLU HB3 . 7080 1 565 . 2 2 12 12 GLU HG2 H 1 2.334 0.05 . 2 . . . . 259 GLU HG2 . 7080 1 566 . 2 2 12 12 GLU HG3 H 1 2.512 0.05 . 2 . . . . 259 GLU HG3 . 7080 1 567 . 2 2 12 12 GLU C C 13 179.477 0.5 . 1 . . . . 259 GLU C . 7080 1 568 . 2 2 12 12 GLU CA C 13 59.937 0.5 . 1 . . . . 259 GLU CA . 7080 1 569 . 2 2 12 12 GLU CB C 13 29.62 0.5 . 1 . . . . 259 GLU CB . 7080 1 570 . 2 2 12 12 GLU CG C 13 36.724 0.5 . 1 . . . . 259 GLU CG . 7080 1 571 . 2 2 12 12 GLU N N 15 123.194 0.5 . 1 . . . . 259 GLU N . 7080 1 572 . 2 2 13 13 LEU H H 1 8.897 0.05 . 1 . . . . 260 LEU H . 7080 1 573 . 2 2 13 13 LEU HA H 1 4.001 0.05 . 1 . . . . 260 LEU HA . 7080 1 574 . 2 2 13 13 LEU HB2 H 1 1.707 0.05 . 2 . . . . 260 LEU HB2 . 7080 1 575 . 2 2 13 13 LEU HB3 H 1 1.922 0.05 . 2 . . . . 260 LEU HB3 . 7080 1 576 . 2 2 13 13 LEU HG H 1 1.616 0.05 . 2 . . . . 260 LEU HG . 7080 1 577 . 2 2 13 13 LEU HD11 H 1 0.924 0.05 . 2 . . . . 260 LEU HD1 . 7080 1 578 . 2 2 13 13 LEU HD12 H 1 0.924 0.05 . 2 . . . . 260 LEU HD1 . 7080 1 579 . 2 2 13 13 LEU HD13 H 1 0.924 0.05 . 2 . . . . 260 LEU HD1 . 7080 1 580 . 2 2 13 13 LEU HD21 H 1 0.939 0.05 . 2 . . . . 260 LEU HD2 . 7080 1 581 . 2 2 13 13 LEU HD22 H 1 0.939 0.05 . 2 . . . . 260 LEU HD2 . 7080 1 582 . 2 2 13 13 LEU HD23 H 1 0.939 0.05 . 2 . . . . 260 LEU HD2 . 7080 1 583 . 2 2 13 13 LEU C C 13 178.459 0.5 . 1 . . . . 260 LEU C . 7080 1 584 . 2 2 13 13 LEU CA C 13 58.517 0.5 . 1 . . . . 260 LEU CA . 7080 1 585 . 2 2 13 13 LEU CB C 13 41.984 0.5 . 1 . . . . 260 LEU CB . 7080 1 586 . 2 2 13 13 LEU CG C 13 27.57 0.5 . 1 . . . . 260 LEU CG . 7080 1 587 . 2 2 13 13 LEU CD1 C 13 24.431 0.5 . 1 . . . . 260 LEU CD1 . 7080 1 588 . 2 2 13 13 LEU CD2 C 13 25.751 0.5 . 1 . . . . 260 LEU CD2 . 7080 1 589 . 2 2 13 13 LEU N N 15 122.137 0.5 . 1 . . . . 260 LEU N . 7080 1 590 . 2 2 14 14 TYR H H 1 8.38 0.05 . 1 . . . . 261 TYR H . 7080 1 591 . 2 2 14 14 TYR HA H 1 4.193 0.05 . 1 . . . . 261 TYR HA . 7080 1 592 . 2 2 14 14 TYR HB2 H 1 3.25 0.05 . 1 . . . . 261 TYR HB2 . 7080 1 593 . 2 2 14 14 TYR HB3 H 1 3.25 0.05 . 1 . . . . 261 TYR HB3 . 7080 1 594 . 2 2 14 14 TYR HD1 H 1 7.206 0.05 . 1 . . . . 261 TYR HD1 . 7080 1 595 . 2 2 14 14 TYR HD2 H 1 7.206 0.05 . 1 . . . . 261 TYR HD2 . 7080 1 596 . 2 2 14 14 TYR HE1 H 1 6.832 0.05 . 1 . . . . 261 TYR HE1 . 7080 1 597 . 2 2 14 14 TYR HE2 H 1 6.832 0.05 . 1 . . . . 261 TYR HE2 . 7080 1 598 . 2 2 14 14 TYR C C 13 176.588 0.5 . 1 . . . . 261 TYR C . 7080 1 599 . 2 2 14 14 TYR CA C 13 61.799 0.5 . 1 . . . . 261 TYR CA . 7080 1 600 . 2 2 14 14 TYR CB C 13 38.305 0.5 . 1 . . . . 261 TYR CB . 7080 1 601 . 2 2 14 14 TYR N N 15 121.072 0.5 . 1 . . . . 261 TYR N . 7080 1 602 . 2 2 15 15 ALA H H 1 8.157 0.05 . 1 . . . . 262 ALA H . 7080 1 603 . 2 2 15 15 ALA HA H 1 4.022 0.05 . 1 . . . . 262 ALA HA . 7080 1 604 . 2 2 15 15 ALA HB1 H 1 1.582 0.05 . 1 . . . . 262 ALA HB . 7080 1 605 . 2 2 15 15 ALA HB2 H 1 1.582 0.05 . 1 . . . . 262 ALA HB . 7080 1 606 . 2 2 15 15 ALA HB3 H 1 1.582 0.05 . 1 . . . . 262 ALA HB . 7080 1 607 . 2 2 15 15 ALA C C 13 176.731 0.5 . 1 . . . . 262 ALA C . 7080 1 608 . 2 2 15 15 ALA CA C 13 55.285 0.5 . 1 . . . . 262 ALA CA . 7080 1 609 . 2 2 15 15 ALA CB C 13 18.241 0.5 . 1 . . . . 262 ALA CB . 7080 1 610 . 2 2 15 15 ALA N N 15 121.057 0.5 . 1 . . . . 262 ALA N . 7080 1 611 . 2 2 16 16 GLN H H 1 8.526 0.05 . 1 . . . . 263 GLN H . 7080 1 612 . 2 2 16 16 GLN HA H 1 3.879 0.05 . 1 . . . . 263 GLN HA . 7080 1 613 . 2 2 16 16 GLN HB2 H 1 2.226 0.05 . 2 . . . . 263 GLN HB2 . 7080 1 614 . 2 2 16 16 GLN HB3 H 1 2.249 0.05 . 2 . . . . 263 GLN HB3 . 7080 1 615 . 2 2 16 16 GLN HG2 H 1 2.419 0.05 . 2 . . . . 263 GLN HG2 . 7080 1 616 . 2 2 16 16 GLN HG3 H 1 2.38 0.05 . 2 . . . . 263 GLN HG3 . 7080 1 617 . 2 2 16 16 GLN HE21 H 1 6.531 0.05 . 2 . . . . 263 GLN HE21 . 7080 1 618 . 2 2 16 16 GLN HE22 H 1 7.718 0.05 . 2 . . . . 263 GLN HE22 . 7080 1 619 . 2 2 16 16 GLN C C 13 177.939 0.5 . 1 . . . . 263 GLN C . 7080 1 620 . 2 2 16 16 GLN CA C 13 58.345 0.5 . 1 . . . . 263 GLN CA . 7080 1 621 . 2 2 16 16 GLN CB C 13 28.034 0.5 . 1 . . . . 263 GLN CB . 7080 1 622 . 2 2 16 16 GLN CG C 13 33.877 0.5 . 1 . . . . 263 GLN CG . 7080 1 623 . 2 2 16 16 GLN N N 15 118.936 0.5 . 1 . . . . 263 GLN N . 7080 1 624 . 2 2 16 16 GLN NE2 N 15 112.628 0.5 . 1 . . . . 263 GLN NE2 . 7080 1 625 . 2 2 17 17 LYS H H 1 8.494 0.05 . 1 . . . . 264 LYS H . 7080 1 626 . 2 2 17 17 LYS HA H 1 4.061 0.05 . 1 . . . . 264 LYS HA . 7080 1 627 . 2 2 17 17 LYS HB2 H 1 1.893 0.05 . 2 . . . . 264 LYS HB2 . 7080 1 628 . 2 2 17 17 LYS HB3 H 1 1.984 0.05 . 2 . . . . 264 LYS HB3 . 7080 1 629 . 2 2 17 17 LYS HG2 H 1 1.302 0.05 . 2 . . . . 264 LYS HG2 . 7080 1 630 . 2 2 17 17 LYS HG3 H 1 1.645 0.05 . 2 . . . . 264 LYS HG3 . 7080 1 631 . 2 2 17 17 LYS HD2 H 1 1.681 0.05 . 2 . . . . 264 LYS HD2 . 7080 1 632 . 2 2 17 17 LYS HD3 H 1 1.677 0.05 . 2 . . . . 264 LYS HD3 . 7080 1 633 . 2 2 17 17 LYS HE2 H 1 2.839 0.05 . 2 . . . . 264 LYS HE2 . 7080 1 634 . 2 2 17 17 LYS HE3 H 1 2.932 0.05 . 2 . . . . 264 LYS HE3 . 7080 1 635 . 2 2 17 17 LYS C C 13 180.243 0.5 . 1 . . . . 264 LYS C . 7080 1 636 . 2 2 17 17 LYS CA C 13 60.653 0.5 . 1 . . . . 264 LYS CA . 7080 1 637 . 2 2 17 17 LYS CB C 13 32.221 0.5 . 1 . . . . 264 LYS CB . 7080 1 638 . 2 2 17 17 LYS CG C 13 26.591 0.5 . 1 . . . . 264 LYS CG . 7080 1 639 . 2 2 17 17 LYS CD C 13 29.861 0.5 . 1 . . . . 264 LYS CD . 7080 1 640 . 2 2 17 17 LYS CE C 13 42.327 0.5 . 1 . . . . 264 LYS CE . 7080 1 641 . 2 2 17 17 LYS N N 15 122.663 0.5 . 1 . . . . 264 LYS N . 7080 1 642 . 2 2 18 18 LEU H H 1 7.92 0.05 . 1 . . . . 265 LEU H . 7080 1 643 . 2 2 18 18 LEU HA H 1 4.072 0.05 . 1 . . . . 265 LEU HA . 7080 1 644 . 2 2 18 18 LEU HB2 H 1 1.488 0.05 . 2 . . . . 265 LEU HB2 . 7080 1 645 . 2 2 18 18 LEU HB3 H 1 1.788 0.05 . 2 . . . . 265 LEU HB3 . 7080 1 646 . 2 2 18 18 LEU HG H 1 1.465 0.05 . 2 . . . . 265 LEU HG . 7080 1 647 . 2 2 18 18 LEU HD11 H 1 0.772 0.05 . 2 . . . . 265 LEU HD1 . 7080 1 648 . 2 2 18 18 LEU HD12 H 1 0.772 0.05 . 2 . . . . 265 LEU HD1 . 7080 1 649 . 2 2 18 18 LEU HD13 H 1 0.772 0.05 . 2 . . . . 265 LEU HD1 . 7080 1 650 . 2 2 18 18 LEU HD21 H 1 0.782 0.05 . 2 . . . . 265 LEU HD2 . 7080 1 651 . 2 2 18 18 LEU HD22 H 1 0.782 0.05 . 2 . . . . 265 LEU HD2 . 7080 1 652 . 2 2 18 18 LEU HD23 H 1 0.782 0.05 . 2 . . . . 265 LEU HD2 . 7080 1 653 . 2 2 18 18 LEU C C 13 180.503 0.5 . 1 . . . . 265 LEU C . 7080 1 654 . 2 2 18 18 LEU CA C 13 58.114 0.5 . 1 . . . . 265 LEU CA . 7080 1 655 . 2 2 18 18 LEU CB C 13 41.728 0.5 . 1 . . . . 265 LEU CB . 7080 1 656 . 2 2 18 18 LEU CG C 13 26.753 0.5 . 1 . . . . 265 LEU CG . 7080 1 657 . 2 2 18 18 LEU CD1 C 13 25.463 0.5 . 1 . . . . 265 LEU CD1 . 7080 1 658 . 2 2 18 18 LEU CD2 C 13 22.897 0.5 . 1 . . . . 265 LEU CD2 . 7080 1 659 . 2 2 18 18 LEU N N 15 121.436 0.5 . 1 . . . . 265 LEU N . 7080 1 660 . 2 2 19 19 LYS H H 1 7.872 0.05 . 1 . . . . 266 LYS H . 7080 1 661 . 2 2 19 19 LYS HA H 1 4.176 0.05 . 1 . . . . 266 LYS HA . 7080 1 662 . 2 2 19 19 LYS HB2 H 1 1.86 0.05 . 2 . . . . 266 LYS HB2 . 7080 1 663 . 2 2 19 19 LYS HB3 H 1 2.002 0.05 . 2 . . . . 266 LYS HB3 . 7080 1 664 . 2 2 19 19 LYS HG2 H 1 1.576 0.05 . 2 . . . . 266 LYS HG2 . 7080 1 665 . 2 2 19 19 LYS HG3 H 1 1.406 0.05 . 2 . . . . 266 LYS HG3 . 7080 1 666 . 2 2 19 19 LYS HD2 H 1 1.444 0.05 . 2 . . . . 266 LYS HD2 . 7080 1 667 . 2 2 19 19 LYS HD3 H 1 1.722 0.05 . 2 . . . . 266 LYS HD3 . 7080 1 668 . 2 2 19 19 LYS HE2 H 1 2.667 0.05 . 2 . . . . 266 LYS HE2 . 7080 1 669 . 2 2 19 19 LYS HE3 H 1 2.637 0.05 . 2 . . . . 266 LYS HE3 . 7080 1 670 . 2 2 19 19 LYS C C 13 176.76 0.5 . 1 . . . . 266 LYS C . 7080 1 671 . 2 2 19 19 LYS CA C 13 59.456 0.5 . 1 . . . . 266 LYS CA . 7080 1 672 . 2 2 19 19 LYS CB C 13 32.517 0.5 . 1 . . . . 266 LYS CB . 7080 1 673 . 2 2 19 19 LYS CG C 13 25.293 0.5 . 1 . . . . 266 LYS CG . 7080 1 674 . 2 2 19 19 LYS CD C 13 29.525 0.5 . 1 . . . . 266 LYS CD . 7080 1 675 . 2 2 19 19 LYS CE C 13 41.738 0.5 . 1 . . . . 266 LYS CE . 7080 1 676 . 2 2 19 19 LYS N N 15 121.428 0.5 . 1 . . . . 266 LYS N . 7080 1 677 . 2 2 20 20 TYR H H 1 8.404 0.05 . 1 . . . . 267 TYR H . 7080 1 678 . 2 2 20 20 TYR HA H 1 4.27 0.05 . 1 . . . . 267 TYR HA . 7080 1 679 . 2 2 20 20 TYR HB2 H 1 3.244 0.05 . 2 . . . . 267 TYR HB2 . 7080 1 680 . 2 2 20 20 TYR HB3 H 1 3.479 0.05 . 2 . . . . 267 TYR HB3 . 7080 1 681 . 2 2 20 20 TYR HD1 H 1 7.08 0.05 . 1 . . . . 267 TYR HD1 . 7080 1 682 . 2 2 20 20 TYR HD2 H 1 7.08 0.05 . 1 . . . . 267 TYR HD2 . 7080 1 683 . 2 2 20 20 TYR HE1 H 1 6.778 0.05 . 1 . . . . 267 TYR HE1 . 7080 1 684 . 2 2 20 20 TYR HE2 H 1 6.778 0.05 . 1 . . . . 267 TYR HE2 . 7080 1 685 . 2 2 20 20 TYR C C 13 177.567 0.5 . 1 . . . . 267 TYR C . 7080 1 686 . 2 2 20 20 TYR CA C 13 61.938 0.5 . 1 . . . . 267 TYR CA . 7080 1 687 . 2 2 20 20 TYR CB C 13 38.386 0.5 . 1 . . . . 267 TYR CB . 7080 1 688 . 2 2 20 20 TYR N N 15 121.267 0.5 . 1 . . . . 267 TYR N . 7080 1 689 . 2 2 21 21 LYS H H 1 8.251 0.05 . 1 . . . . 268 LYS H . 7080 1 690 . 2 2 21 21 LYS HA H 1 4.027 0.05 . 1 . . . . 268 LYS HA . 7080 1 691 . 2 2 21 21 LYS HB2 H 1 2.018 0.05 . 1 . . . . 268 LYS HB2 . 7080 1 692 . 2 2 21 21 LYS HB3 H 1 2.018 0.05 . 1 . . . . 268 LYS HB3 . 7080 1 693 . 2 2 21 21 LYS HG2 H 1 1.448 0.05 . 2 . . . . 268 LYS HG2 . 7080 1 694 . 2 2 21 21 LYS HG3 H 1 1.592 0.05 . 2 . . . . 268 LYS HG3 . 7080 1 695 . 2 2 21 21 LYS HD2 H 1 1.701 0.05 . 1 . . . . 268 LYS HD2 . 7080 1 696 . 2 2 21 21 LYS HD3 H 1 1.701 0.05 . 1 . . . . 268 LYS HD3 . 7080 1 697 . 2 2 21 21 LYS HE2 H 1 2.824 0.05 . 2 . . . . 268 LYS HE2 . 7080 1 698 . 2 2 21 21 LYS HE3 H 1 3.017 0.05 . 2 . . . . 268 LYS HE3 . 7080 1 699 . 2 2 21 21 LYS C C 13 177.567 0.5 . 1 . . . . 268 LYS C . 7080 1 700 . 2 2 21 21 LYS CA C 13 59.62 0.5 . 1 . . . . 268 LYS CA . 7080 1 701 . 2 2 21 21 LYS CB C 13 32.746 0.5 . 1 . . . . 268 LYS CB . 7080 1 702 . 2 2 21 21 LYS CG C 13 24.981 0.5 . 1 . . . . 268 LYS CG . 7080 1 703 . 2 2 21 21 LYS CD C 13 29.706 0.5 . 1 . . . . 268 LYS CD . 7080 1 704 . 2 2 21 21 LYS CE C 13 42.255 0.5 . 1 . . . . 268 LYS CE . 7080 1 705 . 2 2 21 21 LYS N N 15 121.798 0.5 . 1 . . . . 268 LYS N . 7080 1 706 . 2 2 22 22 ALA H H 1 7.77 0.05 . 1 . . . . 269 ALA H . 7080 1 707 . 2 2 22 22 ALA HA H 1 4.236 0.05 . 1 . . . . 269 ALA HA . 7080 1 708 . 2 2 22 22 ALA HB1 H 1 1.562 0.05 . 1 . . . . 269 ALA HB . 7080 1 709 . 2 2 22 22 ALA HB2 H 1 1.562 0.05 . 1 . . . . 269 ALA HB . 7080 1 710 . 2 2 22 22 ALA HB3 H 1 1.562 0.05 . 1 . . . . 269 ALA HB . 7080 1 711 . 2 2 22 22 ALA C C 13 180.951 0.5 . . . . . . 269 ALA C . 7080 1 712 . 2 2 22 22 ALA CA C 13 55.244 0.5 . 1 . . . . 269 ALA CA . 7080 1 713 . 2 2 22 22 ALA CB C 13 18.303 0.5 . 1 . . . . 269 ALA CB . 7080 1 714 . 2 2 22 22 ALA N N 15 120.264 0.5 . 1 . . . . 269 ALA N . 7080 1 715 . 2 2 23 23 ILE H H 1 8.004 0.05 . 1 . . . . 270 ILE H . 7080 1 716 . 2 2 23 23 ILE HA H 1 4.187 0.05 . 1 . . . . 270 ILE HA . 7080 1 717 . 2 2 23 23 ILE HB H 1 1.899 0.05 . 1 . . . . 270 ILE HB . 7080 1 718 . 2 2 23 23 ILE HG12 H 1 1.231 0.05 . 2 . . . . 270 ILE HG12 . 7080 1 719 . 2 2 23 23 ILE HG13 H 1 1.562 0.05 . 2 . . . . 270 ILE HG13 . 7080 1 720 . 2 2 23 23 ILE HG21 H 1 0.877 0.05 . 1 . . . . 270 ILE HG2 . 7080 1 721 . 2 2 23 23 ILE HG22 H 1 0.877 0.05 . 1 . . . . 270 ILE HG2 . 7080 1 722 . 2 2 23 23 ILE HG23 H 1 0.877 0.05 . 1 . . . . 270 ILE HG2 . 7080 1 723 . 2 2 23 23 ILE HD11 H 1 0.684 0.05 . 1 . . . . 270 ILE HD1 . 7080 1 724 . 2 2 23 23 ILE HD12 H 1 0.684 0.05 . 1 . . . . 270 ILE HD1 . 7080 1 725 . 2 2 23 23 ILE HD13 H 1 0.684 0.05 . 1 . . . . 270 ILE HD1 . 7080 1 726 . 2 2 23 23 ILE C C 13 177.305 0.5 . 1 . . . . 270 ILE C . 7080 1 727 . 2 2 23 23 ILE CA C 13 63.975 0.5 . 1 . . . . 270 ILE CA . 7080 1 728 . 2 2 23 23 ILE CB C 13 37.408 0.5 . 1 . . . . 270 ILE CB . 7080 1 729 . 2 2 23 23 ILE CG1 C 13 29.618 0.5 . 1 . . . . 270 ILE CG1 . 7080 1 730 . 2 2 23 23 ILE CG2 C 13 18.477 0.5 . 1 . . . . 270 ILE CG2 . 7080 1 731 . 2 2 23 23 ILE CD1 C 13 13.179 0.5 . 1 . . . . 270 ILE CD1 . 7080 1 732 . 2 2 23 23 ILE N N 15 119.464 0.5 . 1 . . . . 270 ILE N . 7080 1 733 . 2 2 24 24 SER H H 1 8.194 0.05 . 1 . . . . 271 SER H . 7080 1 734 . 2 2 24 24 SER HA H 1 4.356 0.05 . 1 . . . . 271 SER HA . 7080 1 735 . 2 2 24 24 SER HB2 H 1 3.742 0.05 . 2 . . . . 271 SER HB2 . 7080 1 736 . 2 2 24 24 SER HB3 H 1 3.767 0.05 . 2 . . . . 271 SER HB3 . 7080 1 737 . 2 2 24 24 SER C C 13 177.523 0.5 . 1 . . . . 271 SER C . 7080 1 738 . 2 2 24 24 SER CA C 13 61.995 0.5 . 1 . . . . 271 SER CA . 7080 1 739 . 2 2 24 24 SER CB C 13 62.654 0.5 . 1 . . . . 271 SER CB . 7080 1 740 . 2 2 24 24 SER N N 15 118.769 0.5 . 1 . . . . 271 SER N . 7080 1 741 . 2 2 25 25 GLU H H 1 8.254 0.05 . 1 . . . . 272 GLU H . 7080 1 742 . 2 2 25 25 GLU HA H 1 4.121 0.05 . 1 . . . . 272 GLU HA . 7080 1 743 . 2 2 25 25 GLU HB2 H 1 2.032 0.05 . 2 . . . . 272 GLU HB2 . 7080 1 744 . 2 2 25 25 GLU HB3 H 1 2.235 0.05 . 2 . . . . 272 GLU HB3 . 7080 1 745 . 2 2 25 25 GLU HG2 H 1 2.51 0.05 . 2 . . . . 272 GLU HG2 . 7080 1 746 . 2 2 25 25 GLU HG3 H 1 2.274 0.05 . 2 . . . . 272 GLU HG3 . 7080 1 747 . 2 2 25 25 GLU C C 13 179.127 0.5 . 1 . . . . 272 GLU C . 7080 1 748 . 2 2 25 25 GLU CA C 13 59.212 0.5 . 1 . . . . 272 GLU CA . 7080 1 749 . 2 2 25 25 GLU CB C 13 29.593 0.5 . 1 . . . . 272 GLU C . 7080 1 750 . 2 2 25 25 GLU CG C 13 36.795 0.5 . 1 . . . . 272 GLU CG . 7080 1 751 . 2 2 25 25 GLU N N 15 121.781 0.5 . 1 . . . . 272 GLU N . 7080 1 752 . 2 2 26 26 GLU H H 1 7.8 0.05 . 1 . . . . 273 GLU H . 7080 1 753 . 2 2 26 26 GLU HA H 1 4.095 0.05 . 1 . . . . 273 GLU HA . 7080 1 754 . 2 2 26 26 GLU HB2 H 1 2.226 0.05 . 2 . . . . 273 GLU HB2 . 7080 1 755 . 2 2 26 26 GLU HB3 H 1 2.171 0.05 . 2 . . . . 273 GLU HB3 . 7080 1 756 . 2 2 26 26 GLU HG2 H 1 2.257 0.05 . 2 . . . . 273 GLU HG2 . 7080 1 757 . 2 2 26 26 GLU HG3 H 1 2.466 0.05 . 2 . . . . 273 GLU HG3 . 7080 1 758 . 2 2 26 26 GLU C C 13 179.938 0.5 . 1 . . . . 273 GLU C . 7080 1 759 . 2 2 26 26 GLU CA C 13 59.645 0.5 . 1 . . . . 273 GLU CA . 7080 1 760 . 2 2 26 26 GLU CB C 13 29.712 0.5 . 1 . . . . 273 GLU CB . 7080 1 761 . 2 2 26 26 GLU CG C 13 36.702 0.5 . 1 . . . . 273 GLU CG . 7080 1 762 . 2 2 26 26 GLU N N 15 121.247 0.5 . 1 . . . . 273 GLU N . 7080 1 763 . 2 2 27 27 LEU H H 1 8.548 0.05 . 1 . . . . 274 LEU H . 7080 1 764 . 2 2 27 27 LEU HA H 1 4.111 0.05 . 1 . . . . 274 LEU HA . 7080 1 765 . 2 2 27 27 LEU HB2 H 1 1.353 0.05 . 2 . . . . 274 LEU HB2 . 7080 1 766 . 2 2 27 27 LEU HB3 H 1 2.015 0.05 . 2 . . . . 274 LEU HB3 . 7080 1 767 . 2 2 27 27 LEU HG H 1 1.644 0.05 . 2 . . . . 274 LEU HG . 7080 1 768 . 2 2 27 27 LEU HD11 H 1 0.848 0.05 . 2 . . . . 274 LEU HD1 . 7080 1 769 . 2 2 27 27 LEU HD12 H 1 0.848 0.05 . 2 . . . . 274 LEU HD1 . 7080 1 770 . 2 2 27 27 LEU HD13 H 1 0.848 0.05 . 2 . . . . 274 LEU HD1 . 7080 1 771 . 2 2 27 27 LEU HD21 H 1 0.923 0.05 . 2 . . . . 274 LEU HD2 . 7080 1 772 . 2 2 27 27 LEU HD22 H 1 0.923 0.05 . 2 . . . . 274 LEU HD2 . 7080 1 773 . 2 2 27 27 LEU HD23 H 1 0.923 0.05 . 2 . . . . 274 LEU HD2 . 7080 1 774 . 2 2 27 27 LEU C C 13 177.596 0.5 . 1 . . . . 274 LEU C . 7080 1 775 . 2 2 27 27 LEU CA C 13 58.214 0.5 . 1 . . . . 274 LEU CA . 7080 1 776 . 2 2 27 27 LEU CB C 13 41.504 0.5 . 1 . . . . 274 LEU CB . 7080 1 777 . 2 2 27 27 LEU CG C 13 27.043 0.5 . 1 . . . . 274 LEU CG . 7080 1 778 . 2 2 27 27 LEU CD1 C 13 23.651 0.5 . 1 . . . . 274 LEU CD1 . 7080 1 779 . 2 2 27 27 LEU CD2 C 13 25.61 0.5 . 1 . . . . 274 LEU CD2 . 7080 1 780 . 2 2 27 27 LEU N N 15 122.284 0.5 . 1 . . . . 274 LEU N . 7080 1 781 . 2 2 28 28 ASP H H 1 8.056 0.05 . 1 . . . . 275 ASP H . 7080 1 782 . 2 2 28 28 ASP HA H 1 4.357 0.05 . 1 . . . . 275 ASP HA . 7080 1 783 . 2 2 28 28 ASP HB2 H 1 2.761 0.05 . 2 . . . . 275 ASP HB2 . 7080 1 784 . 2 2 28 28 ASP HB3 H 1 2.662 0.05 . 2 . . . . 275 ASP HB3 . 7080 1 785 . 2 2 28 28 ASP C C 13 177.596 0.5 . 1 . . . . 275 ASP C . 7080 1 786 . 2 2 28 28 ASP CA C 13 57.752 0.5 . 1 . . . . 275 ASP CA . 7080 1 787 . 2 2 28 28 ASP CB C 13 41.041 0.5 . 1 . . . . 275 ASP CB . 7080 1 788 . 2 2 28 28 ASP N N 15 119.07 0.5 . 1 . . . . 275 ASP N . 7080 1 789 . 2 2 29 29 HIS H H 1 8.054 0.05 . 1 . . . . 276 HIS H . 7080 1 790 . 2 2 29 29 HIS HA H 1 4.366 0.05 . 1 . . . . 276 HIS HA . 7080 1 791 . 2 2 29 29 HIS HB2 H 1 3.316 0.05 . 1 . . . . 276 HIS HB2 . 7080 1 792 . 2 2 29 29 HIS HB3 H 1 3.316 0.05 . 1 . . . . 276 HIS HB3 . 7080 1 793 . 2 2 29 29 HIS HD2 H 1 7.253 0.05 . 2 . . . . 276 HIS HD2 . 7080 1 794 . 2 2 29 29 HIS C C 13 176.915 0.5 . 1 . . . . 276 HIS C . 7080 1 795 . 2 2 29 29 HIS CA C 13 58.53 0.5 . 1 . . . . 276 HIS CA . 7080 1 796 . 2 2 29 29 HIS CB C 13 29.225 0.5 . 1 . . . . 276 HIS CB . 7080 1 797 . 2 2 29 29 HIS N N 15 116.319 0.5 . 2 . . . . 276 HIS N . 7080 1 798 . 2 2 30 30 ALA H H 1 8.209 0.05 . 1 . . . . 277 ALA H . 7080 1 799 . 2 2 30 30 ALA HA H 1 4.207 0.05 . 1 . . . . 277 ALA HA . 7080 1 800 . 2 2 30 30 ALA HB1 H 1 1.49 0.05 . 1 . . . . 277 ALA HB . 7080 1 801 . 2 2 30 30 ALA HB2 H 1 1.49 0.05 . 1 . . . . 277 ALA HB . 7080 1 802 . 2 2 30 30 ALA HB3 H 1 1.49 0.05 . 1 . . . . 277 ALA HB . 7080 1 803 . 2 2 30 30 ALA C C 13 177.034 0.5 . 1 . . . . 277 ALA C . 7080 1 804 . 2 2 30 30 ALA CA C 13 54.872 0.5 . 1 . . . . 277 ALA CA . 7080 1 805 . 2 2 30 30 ALA CB C 13 18.507 0.5 . 1 . . . . 277 ALA CB . 7080 1 806 . 2 2 30 30 ALA N N 15 122.797 0.5 . 1 . . . . 277 ALA N . 7080 1 807 . 2 2 31 31 LEU H H 1 8.233 0.05 . 1 . . . . 278 LEU H . 7080 1 808 . 2 2 31 31 LEU HA H 1 4.232 0.05 . 1 . . . . 278 LEU HA . 7080 1 809 . 2 2 31 31 LEU HB2 H 1 1.548 0.05 . 1 . . . . 278 LEU HB2 . 7080 1 810 . 2 2 31 31 LEU HB3 H 1 1.84 0.05 . 2 . . . . 278 LEU HB3 . 7080 1 811 . 2 2 31 31 LEU HG H 1 1.823 0.05 . 2 . . . . 278 LEU HG . 7080 1 812 . 2 2 31 31 LEU HD11 H 1 0.894 0.05 . 2 . . . . 278 LEU HD1 . 7080 1 813 . 2 2 31 31 LEU HD12 H 1 0.894 0.05 . 2 . . . . 278 LEU HD1 . 7080 1 814 . 2 2 31 31 LEU HD13 H 1 0.894 0.05 . 2 . . . . 278 LEU HD1 . 7080 1 815 . 2 2 31 31 LEU HD21 H 1 0.918 0.05 . 2 . . . . 278 LEU HD2 . 7080 1 816 . 2 2 31 31 LEU HD22 H 1 0.918 0.05 . 2 . . . . 278 LEU HD2 . 7080 1 817 . 2 2 31 31 LEU HD23 H 1 0.918 0.05 . 2 . . . . 278 LEU HD2 . 7080 1 818 . 2 2 31 31 LEU C C 13 179.4 0.5 . 1 . . . . 278 LEU C . 7080 1 819 . 2 2 31 31 LEU CA C 13 56.591 0.5 . 1 . . . . 278 LEU CA . 7080 1 820 . 2 2 31 31 LEU CB C 13 42.018 0.5 . 1 . . . . 278 LEU CB . 7080 1 821 . 2 2 31 31 LEU CG C 13 27.042 0.5 . 1 . . . . 278 LEU CG . 7080 1 822 . 2 2 31 31 LEU CD1 C 13 22.988 0.5 . 1 . . . . 278 LEU CD1 . 7080 1 823 . 2 2 31 31 LEU CD2 C 13 25.664 0.5 . 1 . . . . 278 LEU CD2 . 7080 1 824 . 2 2 31 31 LEU N N 15 117.044 0.5 . 2 . . . . 278 LEU N . 7080 1 825 . 2 2 32 32 LYS H H 1 7.796 0.05 . 1 . . . . 279 LYS H . 7080 1 826 . 2 2 32 32 LYS HA H 1 4.165 0.05 . 1 . . . . 279 LYS HA . 7080 1 827 . 2 2 32 32 LYS HB2 H 1 1.875 0.05 . 1 . . . . 279 LYS HB2 . 7080 1 828 . 2 2 32 32 LYS HB3 H 1 1.875 0.05 . 1 . . . . 279 LYS HB3 . 7080 1 829 . 2 2 32 32 LYS HG2 H 1 1.464 0.05 . 2 . . . . 279 LYS HG2 . 7080 1 830 . 2 2 32 32 LYS HG3 H 1 1.526 0.05 . 2 . . . . 279 LYS HG3 . 7080 1 831 . 2 2 32 32 LYS HD2 H 1 1.669 0.05 . 2 . . . . 279 LYS HD2 . 7080 1 832 . 2 2 32 32 LYS HD3 H 1 1.466 0.05 . 2 . . . . 279 LYS HD3 . 7080 1 833 . 2 2 32 32 LYS HE2 H 1 2.984 0.05 . 1 . . . . 279 LYS HE2 . 7080 1 834 . 2 2 32 32 LYS HE3 H 1 2.984 0.05 . 1 . . . . 279 LYS HE3 . 7080 1 835 . 2 2 32 32 LYS C C 13 177.778 0.5 . 1 . . . . 279 LYS C . 7080 1 836 . 2 2 32 32 LYS CA C 13 58.173 0.5 . 1 . . . . 279 LYS CA . 7080 1 837 . 2 2 32 32 LYS CB C 13 32.807 0.5 . 1 . . . . 279 LYS CB . 7080 1 838 . 2 2 32 32 LYS CG C 13 25.25 0.5 . 1 . . . . 279 LYS CG . 7080 1 839 . 2 2 32 32 LYS CD C 13 29.355 0.5 . 1 . . . . 279 LYS CD . 7080 1 840 . 2 2 32 32 LYS CE C 13 42.284 0.5 . 1 . . . . 279 LYS CE . 7080 1 841 . 2 2 32 32 LYS N N 15 120.312 0.5 . 2 . . . . 279 LYS N . 7080 1 842 . 2 2 33 33 ASP H H 1 8.202 0.05 . 1 . . . . 280 ASP H . 7080 1 843 . 2 2 33 33 ASP HA H 1 4.608 0.05 . 1 . . . . 280 ASP HA . 7080 1 844 . 2 2 33 33 ASP HB2 H 1 2.714 0.05 . 1 . . . . 280 ASP HB2 . 7080 1 845 . 2 2 33 33 ASP HB3 H 1 2.775 0.05 . 2 . . . . 280 ASP HB3 . 7080 1 846 . 2 2 33 33 ASP C C 13 177.338 0.5 . 1 . . . . 280 ASP C . 7080 1 847 . 2 2 33 33 ASP CA C 13 55.449 0.5 . 1 . . . . 280 ASP CA . 7080 1 848 . 2 2 33 33 ASP CB C 13 40.999 0.5 . 1 . . . . 280 ASP CB . 7080 1 849 . 2 2 33 33 ASP N N 15 120.341 0.5 . 2 . . . . 280 ASP N . 7080 1 850 . 2 2 34 34 MET H H 1 8.13 0.05 . 1 . . . . 281 MET H . 7080 1 851 . 2 2 34 34 MET HA H 1 4.513 0.05 . 1 . . . . 281 MET HA . 7080 1 852 . 2 2 34 34 MET HB2 H 1 2.147 0.05 . 1 . . . . 281 MET HB2 . 7080 1 853 . 2 2 34 34 MET HB3 H 1 2.208 0.05 . 2 . . . . 281 MET HB3 . 7080 1 854 . 2 2 34 34 MET HG2 H 1 2.614 0.05 . 2 . . . . 281 MET HG2 . 7080 1 855 . 2 2 34 34 MET HG3 H 1 2.706 0.05 . 2 . . . . 281 MET HG3 . 7080 1 856 . 2 2 34 34 MET HE1 H 1 2.107 0.05 . 1 . . . . 281 MET HE . 7080 1 857 . 2 2 34 34 MET HE2 H 1 2.107 0.05 . 1 . . . . 281 MET HE . 7080 1 858 . 2 2 34 34 MET HE3 H 1 2.107 0.05 . 1 . . . . 281 MET HE . 7080 1 859 . 2 2 34 34 MET C C 13 176.933 0.5 . 1 . . . . 281 MET C . 7080 1 860 . 2 2 34 34 MET CA C 13 56.437 0.5 . 1 . . . . 281 MET CA . 7080 1 861 . 2 2 34 34 MET CB C 13 33.048 0.5 . 1 . . . . 281 MET CB . 7080 1 862 . 2 2 34 34 MET CG C 13 32.406 0.5 . 1 . . . . 281 MET CG . 7080 1 863 . 2 2 34 34 MET CE C 13 17.231 0.5 . 1 . . . . 281 MET CE . 7080 1 864 . 2 2 34 34 MET N N 15 119.925 0.5 . 2 . . . . 281 MET N . 7080 1 865 . 2 2 35 35 THR H H 1 8.136 0.05 . 1 . . . . 282 THR H . 7080 1 866 . 2 2 35 35 THR HA H 1 4.376 0.05 . 1 . . . . 282 THR HA . 7080 1 867 . 2 2 35 35 THR HB H 1 4.313 0.05 . 1 . . . . 282 THR HB . 7080 1 868 . 2 2 35 35 THR HG21 H 1 1.265 0.05 . 1 . . . . 282 THR HG2 . 7080 1 869 . 2 2 35 35 THR HG22 H 1 1.265 0.05 . 1 . . . . 282 THR HG2 . 7080 1 870 . 2 2 35 35 THR HG23 H 1 1.265 0.05 . 1 . . . . 282 THR HG2 . 7080 1 871 . 2 2 35 35 THR C C 13 174.787 0.5 . 1 . . . . 282 THR C . 7080 1 872 . 2 2 35 35 THR CA C 13 62.621 0.5 . 1 . . . . 282 THR CA . 7080 1 873 . 2 2 35 35 THR CB C 13 69.908 0.5 . 1 . . . . 282 THR CB . 7080 1 874 . 2 2 35 35 THR CG2 C 13 21.755 0.5 . 1 . . . . 282 THR CG2 . 7080 1 875 . 2 2 35 35 THR N N 15 113.876 0.5 . 2 . . . . 282 THR N . 7080 1 876 . 2 2 36 36 SER H H 1 8.226 0.05 . 1 . . . . 283 SER H . 7080 1 877 . 2 2 36 36 SER HA H 1 4.56 0.05 . 1 . . . . 283 SER HA . 7080 1 878 . 2 2 36 36 SER HB2 H 1 3.912 0.05 . 1 . . . . 283 SER HB2 . 7080 1 879 . 2 2 36 36 SER HB3 H 1 3.912 0.05 . 1 . . . . 283 SER HB3 . 7080 1 880 . 2 2 36 36 SER C C 13 173.692 0.5 . 1 . . . . 283 SER C . 7080 1 881 . 2 2 36 36 SER CA C 13 58.515 0.5 . 1 . . . . 283 SER CA . 7080 1 882 . 2 2 36 36 SER CB C 13 64.03 0.5 . 1 . . . . 283 SER CB . 7080 1 883 . 2 2 36 36 SER N N 15 118.932 0.5 . 2 . . . . 283 SER N . 7080 1 884 . 2 2 37 37 ILE H H 1 7.772 0.05 . 1 . . . . 284 ILE H . 7080 1 885 . 2 2 37 37 ILE HA H 1 4.092 0.05 . 1 . . . . 284 ILE HA . 7080 1 886 . 2 2 37 37 ILE HB H 1 1.867 0.05 . 1 . . . . 284 ILE HB . 7080 1 887 . 2 2 37 37 ILE HG12 H 1 1.177 0.05 . 2 . . . . 284 ILE HG12 . 7080 1 888 . 2 2 37 37 ILE HG13 H 1 1.452 0.05 . 2 . . . . 284 ILE HG13 . 7080 1 889 . 2 2 37 37 ILE HG21 H 1 0.912 0.05 . 1 . . . . 284 ILE HG2 . 7080 1 890 . 2 2 37 37 ILE HG22 H 1 0.912 0.05 . 1 . . . . 284 ILE HG2 . 7080 1 891 . 2 2 37 37 ILE HG23 H 1 0.912 0.05 . 1 . . . . 284 ILE HG2 . 7080 1 892 . 2 2 37 37 ILE HD11 H 1 0.892 0.05 . 1 . . . . 284 ILE HD1 . 7080 1 893 . 2 2 37 37 ILE HD12 H 1 0.892 0.05 . 1 . . . . 284 ILE HD1 . 7080 1 894 . 2 2 37 37 ILE HD13 H 1 0.892 0.05 . 1 . . . . 284 ILE HD1 . 7080 1 895 . 2 2 37 37 ILE CA C 13 63.256 0.5 . 1 . . . . 284 ILE CA . 7080 1 896 . 2 2 37 37 ILE CB C 13 39.618 0.5 . 1 . . . . 284 ILE CB . 7080 1 897 . 2 2 37 37 ILE CG1 C 13 27.455 0.5 . 1 . . . . 284 ILE CG1 . 7080 1 898 . 2 2 37 37 ILE CG2 C 13 18.154 0.5 . 1 . . . . 284 ILE CG2 . 7080 1 899 . 2 2 37 37 ILE CD1 C 13 13.877 0.5 . 1 . . . . 284 ILE CD1 . 7080 1 900 . 2 2 37 37 ILE N N 15 126.876 0.5 . 2 . . . . 284 ILE N . 7080 1 stop_ save_