data_5335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5335 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for E.coli protein YacG ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-03-27 _Entry.Accession_date 2002-03-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Theresa Ramelot . A. . 5335 2 Michael Kennedy . A. . 5335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 5335 '1H chemical shifts' 385 5335 '15N chemical shifts' 61 5335 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 3 . . 2009-07-27 2002-03-27 update BMRB 'added time domain data' 5335 2 . . 2004-10-08 2002-03-27 update author 'addition of PDB ID' 5335 1 . . 2002-09-09 2002-03-27 original author 'original release' 5335 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5335 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22199977 _Citation.DOI . _Citation.PubMed_ID 12211008 _Citation.Full_citation . _Citation.Title ; NMR Structure of the Eschericia coli Protein YacG: A Novel Sequence Motif in the Zinc-finger Family of Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 2 _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 289 _Citation.Page_last 293 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 5335 1 2 J. Cort . R. . 5335 1 3 A. Yee . A. . 5335 1 4 A. Semesi . . . 5335 1 5 A. Edwards . M. . 5335 1 6 C. Arrowsmith . H. . 5335 1 7 Michael Kennedy . A. . 5335 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5335 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Brunger AT. X-PLOR Version 3.1: a system for X-ray crystallography and NMR. New Haven, CY:Yale University Press; 1992.382 p. ; _Citation.Title . _Citation.Status . _Citation.Type . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YacG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YacG _Assembly.Entry_ID 5335 _Assembly.ID 1 _Assembly.Name YacG _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5335 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 YacG 1 $YacG . . . native . . . . . 5335 1 2 'zinc ion' 2 $ZN . . . native . . . . . 5335 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 coordination single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5335 1 2 coordination single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5335 1 3 coordination single . 1 . 1 CYS 31 31 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5335 1 4 coordination single . 1 . 1 CYS 35 35 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5335 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1LV3 . . . . . . 5335 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YacG system 5335 1 YacG abbreviation 5335 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'unknown function zinc finger protein' 5335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YacG _Entity.Sf_category entity _Entity.Sf_framecode YacG _Entity.Entry_ID 5335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YacG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSETITVNCPTCGKTVV WGEISPFRPFCSKRCQLIDL GEWAAEEKRIPSSGDLSESD DWSEEPKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7306 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Fusion protein contains N-terminal 6xHis tag and thrombin cleavage site: MGSSHHHHHHSSGLVPRGSH, before cleavage with thrombin. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P0A8H8 . 'UPF0243 zinc-binding protein yacG' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . SWISS-PROT P0A8H9 . 'UPF0243 zinc-binding protein yacG' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . SWISS-PROT A7ZW52 . 'UPF0243 zinc-binding protein yacG' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . SWISS-PROT B1IR78 . 'UPF0243 zinc-binding protein yacG' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . REF NP_706056 . 'zinc-binding protein [Shigella flexneri 2a str. 301]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . SWISS-PROT A7ZHJ2 . 'UPF0243 zinc-binding protein yacG' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . REF NP_308132 . 'zinc-binding protein [Escherichia coli O157:H7 str. Sakai]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . REF NP_414643 . 'conserved protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . REF AP_000763 . 'hypothetical protein [Escherichia coli W3110]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . REF NP_285797 . 'zinc-binding protein [Escherichia coli O157:H7 EDL933]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . GenBank AAN78619 . 'Hypothetical protein yacG [Escherichia coli CFT073]' . . . . . 95.59 65 98.46 98.46 1.55e-29 . . . . 5335 1 . . GenBank AAP15644 . 'hypothetical protein S0100 [Shigella flexneri 2a str. 2457T]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . GenBank AAG54405 . 'orf, hypothetical protein [Escherichia coli O157:H7 EDL933]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . GenBank AAN41763 . 'orf, conserved hypothetical protein [Shigella flexneri 2a str. 301]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . DBJ BAB96668 . 'conserved hypothetical protein [Escherichia coli W3110]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . GenBank AAC73212 . 'conserved protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 . . PDB 1LV3 . 'Solution Nmr Structure Of Zinc Finger Protein Yacg From Escherichia Coli. Northeast Structural Genomics Consortium Target Et92' . . . . . 100.00 68 100.00 100.00 3.36e-32 . . . . 5335 1 . . DBJ BAB33528 . 'hypothetical protein [Escherichia coli O157:H7 str. Sakai]' . . . . . 95.59 65 100.00 100.00 4.00e-30 . . . . 5335 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YacG common 5335 1 YacG abbreviation 5335 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 -3 GLY . 5335 1 2 -2 SER . 5335 1 3 -1 HIS . 5335 1 4 1 MET . 5335 1 5 2 SER . 5335 1 6 3 GLU . 5335 1 7 4 THR . 5335 1 8 5 ILE . 5335 1 9 6 THR . 5335 1 10 7 VAL . 5335 1 11 8 ASN . 5335 1 12 9 CYS . 5335 1 13 10 PRO . 5335 1 14 11 THR . 5335 1 15 12 CYS . 5335 1 16 13 GLY . 5335 1 17 14 LYS . 5335 1 18 15 THR . 5335 1 19 16 VAL . 5335 1 20 17 VAL . 5335 1 21 18 TRP . 5335 1 22 19 GLY . 5335 1 23 20 GLU . 5335 1 24 21 ILE . 5335 1 25 22 SER . 5335 1 26 23 PRO . 5335 1 27 24 PHE . 5335 1 28 25 ARG . 5335 1 29 26 PRO . 5335 1 30 27 PHE . 5335 1 31 28 CYS . 5335 1 32 29 SER . 5335 1 33 30 LYS . 5335 1 34 31 ARG . 5335 1 35 32 CYS . 5335 1 36 33 GLN . 5335 1 37 34 LEU . 5335 1 38 35 ILE . 5335 1 39 36 ASP . 5335 1 40 37 LEU . 5335 1 41 38 GLY . 5335 1 42 39 GLU . 5335 1 43 40 TRP . 5335 1 44 41 ALA . 5335 1 45 42 ALA . 5335 1 46 43 GLU . 5335 1 47 44 GLU . 5335 1 48 45 LYS . 5335 1 49 46 ARG . 5335 1 50 47 ILE . 5335 1 51 48 PRO . 5335 1 52 49 SER . 5335 1 53 50 SER . 5335 1 54 51 GLY . 5335 1 55 52 ASP . 5335 1 56 53 LEU . 5335 1 57 54 SER . 5335 1 58 55 GLU . 5335 1 59 56 SER . 5335 1 60 57 ASP . 5335 1 61 58 ASP . 5335 1 62 59 TRP . 5335 1 63 60 SER . 5335 1 64 61 GLU . 5335 1 65 62 GLU . 5335 1 66 63 PRO . 5335 1 67 64 LYS . 5335 1 68 65 GLN . 5335 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 5335 1 . SER 2 2 5335 1 . HIS 3 3 5335 1 . MET 4 4 5335 1 . SER 5 5 5335 1 . GLU 6 6 5335 1 . THR 7 7 5335 1 . ILE 8 8 5335 1 . THR 9 9 5335 1 . VAL 10 10 5335 1 . ASN 11 11 5335 1 . CYS 12 12 5335 1 . PRO 13 13 5335 1 . THR 14 14 5335 1 . CYS 15 15 5335 1 . GLY 16 16 5335 1 . LYS 17 17 5335 1 . THR 18 18 5335 1 . VAL 19 19 5335 1 . VAL 20 20 5335 1 . TRP 21 21 5335 1 . GLY 22 22 5335 1 . GLU 23 23 5335 1 . ILE 24 24 5335 1 . SER 25 25 5335 1 . PRO 26 26 5335 1 . PHE 27 27 5335 1 . ARG 28 28 5335 1 . PRO 29 29 5335 1 . PHE 30 30 5335 1 . CYS 31 31 5335 1 . SER 32 32 5335 1 . LYS 33 33 5335 1 . ARG 34 34 5335 1 . CYS 35 35 5335 1 . GLN 36 36 5335 1 . LEU 37 37 5335 1 . ILE 38 38 5335 1 . ASP 39 39 5335 1 . LEU 40 40 5335 1 . GLY 41 41 5335 1 . GLU 42 42 5335 1 . TRP 43 43 5335 1 . ALA 44 44 5335 1 . ALA 45 45 5335 1 . GLU 46 46 5335 1 . GLU 47 47 5335 1 . LYS 48 48 5335 1 . ARG 49 49 5335 1 . ILE 50 50 5335 1 . PRO 51 51 5335 1 . SER 52 52 5335 1 . SER 53 53 5335 1 . GLY 54 54 5335 1 . ASP 55 55 5335 1 . LEU 56 56 5335 1 . SER 57 57 5335 1 . GLU 58 58 5335 1 . SER 59 59 5335 1 . ASP 60 60 5335 1 . ASP 61 61 5335 1 . TRP 62 62 5335 1 . SER 63 63 5335 1 . GLU 64 64 5335 1 . GLU 65 65 5335 1 . PRO 66 66 5335 1 . LYS 67 67 5335 1 . GLN 68 68 5335 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5335 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 5335 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 5335 _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 $YacG . 562 organism . 'Eschericia coli' 'E. coli' . . Eubacteria . Eschericia coli K12 . . . . . . . . . . . . . pET15b . YacG . . . . 5335 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 5335 _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 $YacG . 'recombinant technology' 'Eschericia coli' 'E. coli' . . Eschericia coli 'BL21 DE3' . . . . . . . . . . . . . . . . . . . . . . 5335 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5335 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:26:23 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 5335 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5335 ZN [Zn++] SMILES CACTVS 3.341 5335 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5335 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5335 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5335 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5335 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5335 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5335 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5335 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5335 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YacG '[U-13C; U-15N]' . . 1 $YacG . . 1 . . mM . . . . 5335 1 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5335 1 3 NaCl . . . . . . . 450 . . mM . . . . 5335 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5335 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YacG [U-15N] . . 1 $YacG . . . 1 3 mM . . . . 5335 2 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5335 2 3 NaCl . . . . . . . 450 . . mM . . . . 5335 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5335 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 5335 1 temperature 298 1 K 5335 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5335 _Software.ID 1 _Software.Name Felix _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 5335 1 stop_ save_ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 5335 _Software.ID 2 _Software.Name XPLOR _Software.Version 3.84 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 5335 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5335 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5335 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5335 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5335 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 5335 1 2 spectrometer_2 Varian Inova . 750 . . . 5335 1 3 spectrometer_3 Varian Inova . 800 . . . 5335 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5335 _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 '1H-15N HSQC' yes 1 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 2 '1H-13C HSQC (aliph)' yes 2 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 3 '15N-edited NOESY-HQSC' yes 3 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 4 HCC-TOCSY-NNH yes 4 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 5 HCCH-TOCSY yes 5 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 6 CN-NOESY-HSQC yes 6 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 7 HNCO yes 7 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 8 HNCACB yes 8 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 9 CBCA(CO)NH yes 9 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 10 CCC-TOCSY-NNH yes 10 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 11 HNHA yes 11 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 12 '4D CC-NOESY' yes 12 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 13 '1H-13C HSQC (alpha)' yes 13 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 14 '1H-13C HSQC (arom)' yes 14 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5335 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5335 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5335 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5335 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5335 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_YacG_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode YacG_shifts _Assigned_chem_shift_list.Entry_ID 5335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' . . . 5335 1 2 '1H-13C HSQC (aliph)' . . . 5335 1 3 '15N-edited NOESY-HQSC' . . . 5335 1 4 HCC-TOCSY-NNH . . . 5335 1 5 HCCH-TOCSY . . . 5335 1 6 CN-NOESY-HSQC . . . 5335 1 7 HNCO . . . 5335 1 8 HNCACB . . . 5335 1 9 CBCA(CO)NH . . . 5335 1 10 CCC-TOCSY-NNH . . . 5335 1 11 HNHA . . . 5335 1 12 '4D CC-NOESY' . . . 5335 1 13 '1H-13C HSQC (alpha)' . . . 5335 1 14 '1H-13C HSQC (arom)' . . . 5335 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 5 5 SER C C 13 174.5 0.1 . 1 . . . . 2 . . . 5335 1 2 . 1 1 5 5 SER CA C 13 58.5 0.1 . 1 . . . . 2 . . . 5335 1 3 . 1 1 5 5 SER CB C 13 63.6 0.1 . 1 . . . . 2 . . . 5335 1 4 . 1 1 6 6 GLU H H 1 8.49 0.01 . 1 . . . . 3 . . . 5335 1 5 . 1 1 6 6 GLU HA H 1 4.39 0.01 . 1 . . . . 3 . . . 5335 1 6 . 1 1 6 6 GLU HB2 H 1 1.96 0.01 . 1 . . . . 3 . . . 5335 1 7 . 1 1 6 6 GLU HB3 H 1 2.08 0.01 . 1 . . . . 3 . . . 5335 1 8 . 1 1 6 6 GLU HG2 H 1 2.28 0.01 . 1 . . . . 3 . . . 5335 1 9 . 1 1 6 6 GLU HG3 H 1 2.28 0.01 . 1 . . . . 3 . . . 5335 1 10 . 1 1 6 6 GLU C C 13 176.3 0.1 . 1 . . . . 3 . . . 5335 1 11 . 1 1 6 6 GLU CA C 13 56.53 0.1 . 1 . . . . 3 . . . 5335 1 12 . 1 1 6 6 GLU CB C 13 30.3 0.1 . 1 . . . . 3 . . . 5335 1 13 . 1 1 6 6 GLU N N 15 122.7 0.1 . 1 . . . . 3 . . . 5335 1 14 . 1 1 7 7 THR H H 1 8.26 0.01 . 1 . . . . 4 . . . 5335 1 15 . 1 1 7 7 THR HA H 1 4.33 0.01 . 1 . . . . 4 . . . 5335 1 16 . 1 1 7 7 THR HB H 1 4.05 0.01 . 1 . . . . 4 . . . 5335 1 17 . 1 1 7 7 THR HG21 H 1 1.18 0.01 . 1 . . . . 4 . . . 5335 1 18 . 1 1 7 7 THR HG22 H 1 1.18 0.01 . 1 . . . . 4 . . . 5335 1 19 . 1 1 7 7 THR HG23 H 1 1.18 0.01 . 1 . . . . 4 . . . 5335 1 20 . 1 1 7 7 THR C C 13 173.9 0.1 . 1 . . . . 4 . . . 5335 1 21 . 1 1 7 7 THR CA C 13 62.2 0.1 . 1 . . . . 4 . . . 5335 1 22 . 1 1 7 7 THR CB C 13 69.7 0.1 . 1 . . . . 4 . . . 5335 1 23 . 1 1 7 7 THR CG2 C 13 22.1 0.1 . 1 . . . . 4 . . . 5335 1 24 . 1 1 7 7 THR N N 15 117.4 0.1 . 1 . . . . 4 . . . 5335 1 25 . 1 1 8 8 ILE H H 1 8.69 0.01 . 1 . . . . 5 . . . 5335 1 26 . 1 1 8 8 ILE HA H 1 4.38 0.01 . 1 . . . . 5 . . . 5335 1 27 . 1 1 8 8 ILE HB H 1 2.02 0.01 . 1 . . . . 5 . . . 5335 1 28 . 1 1 8 8 ILE HG12 H 1 1.28 0.01 . 2 . . . . 5 . . . 5335 1 29 . 1 1 8 8 ILE HG13 H 1 1.61 0.01 . 2 . . . . 5 . . . 5335 1 30 . 1 1 8 8 ILE HG21 H 1 0.90 0.01 . 1 . . . . 5 . . . 5335 1 31 . 1 1 8 8 ILE HG22 H 1 0.90 0.01 . 1 . . . . 5 . . . 5335 1 32 . 1 1 8 8 ILE HG23 H 1 0.90 0.01 . 1 . . . . 5 . . . 5335 1 33 . 1 1 8 8 ILE HD11 H 1 0.84 0.01 . 1 . . . . 5 . . . 5335 1 34 . 1 1 8 8 ILE HD12 H 1 0.84 0.01 . 1 . . . . 5 . . . 5335 1 35 . 1 1 8 8 ILE HD13 H 1 0.84 0.01 . 1 . . . . 5 . . . 5335 1 36 . 1 1 8 8 ILE C C 13 175.6 0.1 . 1 . . . . 5 . . . 5335 1 37 . 1 1 8 8 ILE CA C 13 60.8 0.1 . 1 . . . . 5 . . . 5335 1 38 . 1 1 8 8 ILE CB C 13 39.0 0.1 . 1 . . . . 5 . . . 5335 1 39 . 1 1 8 8 ILE CG1 C 13 27.6 0.1 . 1 . . . . 5 . . . 5335 1 40 . 1 1 8 8 ILE CG2 C 13 17.6 0.1 . 1 . . . . 5 . . . 5335 1 41 . 1 1 8 8 ILE CD1 C 13 13.0 0.1 . 1 . . . . 5 . . . 5335 1 42 . 1 1 8 8 ILE N N 15 126.7 0.1 . 1 . . . . 5 . . . 5335 1 43 . 1 1 9 9 THR H H 1 8.23 0.01 . 1 . . . . 6 . . . 5335 1 44 . 1 1 9 9 THR HA H 1 5.26 0.01 . 1 . . . . 6 . . . 5335 1 45 . 1 1 9 9 THR HB H 1 4.11 0.01 . 1 . . . . 6 . . . 5335 1 46 . 1 1 9 9 THR HG21 H 1 1.08 0.01 . 1 . . . . 6 . . . 5335 1 47 . 1 1 9 9 THR HG22 H 1 1.08 0.01 . 1 . . . . 6 . . . 5335 1 48 . 1 1 9 9 THR HG23 H 1 1.08 0.01 . 1 . . . . 6 . . . 5335 1 49 . 1 1 9 9 THR C C 13 173.7 0.1 . 1 . . . . 6 . . . 5335 1 50 . 1 1 9 9 THR CA C 13 59.7 0.1 . 1 . . . . 6 . . . 5335 1 51 . 1 1 9 9 THR CB C 13 71.6 0.1 . 1 . . . . 6 . . . 5335 1 52 . 1 1 9 9 THR CG2 C 13 21.6 0.1 . 1 . . . . 6 . . . 5335 1 53 . 1 1 9 9 THR N N 15 115.9 0.1 . 1 . . . . 6 . . . 5335 1 54 . 1 1 10 10 VAL H H 1 9.09 0.01 . 1 . . . . 7 . . . 5335 1 55 . 1 1 10 10 VAL HA H 1 4.65 0.01 . 1 . . . . 7 . . . 5335 1 56 . 1 1 10 10 VAL HB H 1 2.32 0.01 . 1 . . . . 7 . . . 5335 1 57 . 1 1 10 10 VAL HG11 H 1 0.97 0.01 . 2 . . . . 7 . . . 5335 1 58 . 1 1 10 10 VAL HG12 H 1 0.97 0.01 . 2 . . . . 7 . . . 5335 1 59 . 1 1 10 10 VAL HG13 H 1 0.97 0.01 . 2 . . . . 7 . . . 5335 1 60 . 1 1 10 10 VAL HG21 H 1 0.85 0.01 . 2 . . . . 7 . . . 5335 1 61 . 1 1 10 10 VAL HG22 H 1 0.85 0.01 . 2 . . . . 7 . . . 5335 1 62 . 1 1 10 10 VAL HG23 H 1 0.85 0.01 . 2 . . . . 7 . . . 5335 1 63 . 1 1 10 10 VAL C C 13 173.6 0.1 . 1 . . . . 7 . . . 5335 1 64 . 1 1 10 10 VAL CA C 13 59.1 0.1 . 1 . . . . 7 . . . 5335 1 65 . 1 1 10 10 VAL CB C 13 35.1 0.1 . 1 . . . . 7 . . . 5335 1 66 . 1 1 10 10 VAL CG1 C 13 19.2 0.1 . 2 . . . . 7 . . . 5335 1 67 . 1 1 10 10 VAL CG2 C 13 22.2 0.1 . 2 . . . . 7 . . . 5335 1 68 . 1 1 10 10 VAL N N 15 115.6 0.1 . 1 . . . . 7 . . . 5335 1 69 . 1 1 11 11 ASN H H 1 8.17 0.01 . 1 . . . . 8 . . . 5335 1 70 . 1 1 11 11 ASN HA H 1 5.26 0.01 . 1 . . . . 8 . . . 5335 1 71 . 1 1 11 11 ASN HB2 H 1 2.28 0.01 . 1 . . . . 8 . . . 5335 1 72 . 1 1 11 11 ASN HB3 H 1 2.41 0.01 . 1 . . . . 8 . . . 5335 1 73 . 1 1 11 11 ASN HD21 H 1 6.79 0.01 . 2 . . . . 8 . . . 5335 1 74 . 1 1 11 11 ASN HD22 H 1 7.30 0.01 . 2 . . . . 8 . . . 5335 1 75 . 1 1 11 11 ASN C C 13 174.1 0.1 . 1 . . . . 8 . . . 5335 1 76 . 1 1 11 11 ASN CA C 13 52.0 0.1 . 1 . . . . 8 . . . 5335 1 77 . 1 1 11 11 ASN CB C 13 40.2 0.1 . 1 . . . . 8 . . . 5335 1 78 . 1 1 11 11 ASN N N 15 118.1 0.1 . 1 . . . . 8 . . . 5335 1 79 . 1 1 11 11 ASN ND2 N 15 111.3 0.1 . 1 . . . . 8 . . . 5335 1 80 . 1 1 12 12 CYS H H 1 9.45 0.01 . 1 . . . . 9 . . . 5335 1 81 . 1 1 12 12 CYS HA H 1 5.02 0.01 . 1 . . . . 9 . . . 5335 1 82 . 1 1 12 12 CYS HB2 H 1 2.93 0.01 . 1 . . . . 9 . . . 5335 1 83 . 1 1 12 12 CYS HB3 H 1 3.39 0.01 . 1 . . . . 9 . . . 5335 1 84 . 1 1 12 12 CYS CA C 13 56.7 0.1 . 1 . . . . 9 . . . 5335 1 85 . 1 1 12 12 CYS CB C 13 30.2 0.1 . 1 . . . . 9 . . . 5335 1 86 . 1 1 12 12 CYS N N 15 127.4 0.1 . 1 . . . . 9 . . . 5335 1 87 . 1 1 13 13 PRO HA H 1 4.18 0.01 . 1 . . . . 10 . . . 5335 1 88 . 1 1 13 13 PRO HB2 H 1 1.81 0.01 . 1 . . . . 10 . . . 5335 1 89 . 1 1 13 13 PRO HB3 H 1 2.28 0.01 . 1 . . . . 10 . . . 5335 1 90 . 1 1 13 13 PRO HD2 H 1 3.80 0.01 . 2 . . . . 10 . . . 5335 1 91 . 1 1 13 13 PRO HD3 H 1 2.73 0.01 . 2 . . . . 10 . . . 5335 1 92 . 1 1 13 13 PRO C C 13 176.9 0.1 . 1 . . . . 10 . . . 5335 1 93 . 1 1 13 13 PRO CA C 13 64.9 0.1 . 1 . . . . 10 . . . 5335 1 94 . 1 1 13 13 PRO CB C 13 32.9 0.1 . 1 . . . . 10 . . . 5335 1 95 . 1 1 13 13 PRO CG C 13 27.1 0.1 . 1 . . . . 10 . . . 5335 1 96 . 1 1 13 13 PRO CD C 13 51.3 0.1 . 1 . . . . 10 . . . 5335 1 97 . 1 1 14 14 THR H H 1 8.34 0.01 . 1 . . . . 11 . . . 5335 1 98 . 1 1 14 14 THR HA H 1 4.39 0.01 . 1 . . . . 11 . . . 5335 1 99 . 1 1 14 14 THR HB H 1 4.69 0.01 . 1 . . . . 11 . . . 5335 1 100 . 1 1 14 14 THR HG21 H 1 1.31 0.01 . 1 . . . . 11 . . . 5335 1 101 . 1 1 14 14 THR HG22 H 1 1.31 0.01 . 1 . . . . 11 . . . 5335 1 102 . 1 1 14 14 THR HG23 H 1 1.31 0.01 . 1 . . . . 11 . . . 5335 1 103 . 1 1 14 14 THR C C 13 175.0 0.1 . 1 . . . . 11 . . . 5335 1 104 . 1 1 14 14 THR CA C 13 64.5 0.1 . 1 . . . . 11 . . . 5335 1 105 . 1 1 14 14 THR CB C 13 68.8 0.1 . 1 . . . . 11 . . . 5335 1 106 . 1 1 14 14 THR CG2 C 13 24.8 0.1 . 1 . . . . 11 . . . 5335 1 107 . 1 1 14 14 THR N N 15 113.2 0.1 . 1 . . . . 11 . . . 5335 1 108 . 1 1 15 15 CYS H H 1 7.91 0.01 . 1 . . . . 12 . . . 5335 1 109 . 1 1 15 15 CYS HA H 1 5.07 0.01 . 1 . . . . 12 . . . 5335 1 110 . 1 1 15 15 CYS HB2 H 1 2.66 0.01 . 2 . . . . 12 . . . 5335 1 111 . 1 1 15 15 CYS HB3 H 1 3.26 0.01 . 2 . . . . 12 . . . 5335 1 112 . 1 1 15 15 CYS C C 13 177.1 0.1 . 1 . . . . 12 . . . 5335 1 113 . 1 1 15 15 CYS CA C 13 58.9 0.1 . 1 . . . . 12 . . . 5335 1 114 . 1 1 15 15 CYS CB C 13 33.3 0.1 . 1 . . . . 12 . . . 5335 1 115 . 1 1 15 15 CYS N N 15 118.8 0.1 . 1 . . . . 12 . . . 5335 1 116 . 1 1 16 16 GLY H H 1 8.60 0.01 . 1 . . . . 13 . . . 5335 1 117 . 1 1 16 16 GLY HA2 H 1 3.74 0.01 . 2 . . . . 13 . . . 5335 1 118 . 1 1 16 16 GLY HA3 H 1 4.33 0.01 . 2 . . . . 13 . . . 5335 1 119 . 1 1 16 16 GLY C C 13 173.7 0.1 . 1 . . . . 13 . . . 5335 1 120 . 1 1 16 16 GLY CA C 13 46.3 0.1 . 1 . . . . 13 . . . 5335 1 121 . 1 1 16 16 GLY N N 15 114.1 0.1 . 1 . . . . 13 . . . 5335 1 122 . 1 1 17 17 LYS H H 1 8.72 0.01 . 1 . . . . 14 . . . 5335 1 123 . 1 1 17 17 LYS HA H 1 4.25 0.01 . 1 . . . . 14 . . . 5335 1 124 . 1 1 17 17 LYS HB2 H 1 1.71 0.01 . 2 . . . . 14 . . . 5335 1 125 . 1 1 17 17 LYS HB3 H 1 2.02 0.01 . 2 . . . . 14 . . . 5335 1 126 . 1 1 17 17 LYS HG2 H 1 1.82 0.01 . 1 . . . . 14 . . . 5335 1 127 . 1 1 17 17 LYS HG3 H 1 1.82 0.01 . 1 . . . . 14 . . . 5335 1 128 . 1 1 17 17 LYS HD2 H 1 1.62 0.01 . 1 . . . . 14 . . . 5335 1 129 . 1 1 17 17 LYS HD3 H 1 1.62 0.01 . 1 . . . . 14 . . . 5335 1 130 . 1 1 17 17 LYS HE2 H 1 3.12 0.01 . 1 . . . . 14 . . . 5335 1 131 . 1 1 17 17 LYS HE3 H 1 3.12 0.01 . 1 . . . . 14 . . . 5335 1 132 . 1 1 17 17 LYS C C 13 175.9 0.1 . 1 . . . . 14 . . . 5335 1 133 . 1 1 17 17 LYS CA C 13 57.8 0.1 . 1 . . . . 14 . . . 5335 1 134 . 1 1 17 17 LYS CB C 13 33.9 0.1 . 1 . . . . 14 . . . 5335 1 135 . 1 1 17 17 LYS CG C 13 29.5 0.1 . 1 . . . . 14 . . . 5335 1 136 . 1 1 17 17 LYS CD C 13 25.6 0.1 . 1 . . . . 14 . . . 5335 1 137 . 1 1 17 17 LYS CE C 13 41.8 0.1 . 1 . . . . 14 . . . 5335 1 138 . 1 1 17 17 LYS N N 15 124.8 0.1 . 1 . . . . 14 . . . 5335 1 139 . 1 1 18 18 THR H H 1 8.49 0.01 . 1 . . . . 15 . . . 5335 1 140 . 1 1 18 18 THR HA H 1 4.31 0.01 . 1 . . . . 15 . . . 5335 1 141 . 1 1 18 18 THR HB H 1 4.01 0.01 . 1 . . . . 15 . . . 5335 1 142 . 1 1 18 18 THR HG21 H 1 1.21 0.01 . 1 . . . . 15 . . . 5335 1 143 . 1 1 18 18 THR HG22 H 1 1.21 0.01 . 1 . . . . 15 . . . 5335 1 144 . 1 1 18 18 THR HG23 H 1 1.21 0.01 . 1 . . . . 15 . . . 5335 1 145 . 1 1 18 18 THR C C 13 174.3 0.1 . 1 . . . . 15 . . . 5335 1 146 . 1 1 18 18 THR CA C 13 64.7 0.1 . 1 . . . . 15 . . . 5335 1 147 . 1 1 18 18 THR CB C 13 69.0 0.1 . 1 . . . . 15 . . . 5335 1 148 . 1 1 18 18 THR CG2 C 13 22.3 0.1 . 1 . . . . 15 . . . 5335 1 149 . 1 1 18 18 THR N N 15 119.4 0.1 . 1 . . . . 15 . . . 5335 1 150 . 1 1 19 19 VAL H H 1 9.37 0.01 . 1 . . . . 16 . . . 5335 1 151 . 1 1 19 19 VAL HA H 1 4.11 0.01 . 1 . . . . 16 . . . 5335 1 152 . 1 1 19 19 VAL HB H 1 1.89 0.01 . 1 . . . . 16 . . . 5335 1 153 . 1 1 19 19 VAL HG11 H 1 0.66 0.01 . 1 . . . . 16 . . . 5335 1 154 . 1 1 19 19 VAL HG12 H 1 0.66 0.01 . 1 . . . . 16 . . . 5335 1 155 . 1 1 19 19 VAL HG13 H 1 0.66 0.01 . 1 . . . . 16 . . . 5335 1 156 . 1 1 19 19 VAL HG21 H 1 0.82 0.01 . 1 . . . . 16 . . . 5335 1 157 . 1 1 19 19 VAL HG22 H 1 0.82 0.01 . 1 . . . . 16 . . . 5335 1 158 . 1 1 19 19 VAL HG23 H 1 0.82 0.01 . 1 . . . . 16 . . . 5335 1 159 . 1 1 19 19 VAL C C 13 175.4 0.1 . 1 . . . . 16 . . . 5335 1 160 . 1 1 19 19 VAL CA C 13 61.4 0.1 . 1 . . . . 16 . . . 5335 1 161 . 1 1 19 19 VAL CB C 13 35.2 0.1 . 1 . . . . 16 . . . 5335 1 162 . 1 1 19 19 VAL CG1 C 13 20.1 0.1 . 1 . . . . 16 . . . 5335 1 163 . 1 1 19 19 VAL CG2 C 13 20.8 0.1 . 1 . . . . 16 . . . 5335 1 164 . 1 1 19 19 VAL N N 15 129.9 0.1 . 1 . . . . 16 . . . 5335 1 165 . 1 1 20 20 VAL H H 1 8.59 0.01 . 1 . . . . 17 . . . 5335 1 166 . 1 1 20 20 VAL HA H 1 3.92 0.01 . 1 . . . . 17 . . . 5335 1 167 . 1 1 20 20 VAL HB H 1 1.77 0.01 . 1 . . . . 17 . . . 5335 1 168 . 1 1 20 20 VAL HG11 H 1 0.98 0.01 . 1 . . . . 17 . . . 5335 1 169 . 1 1 20 20 VAL HG12 H 1 0.98 0.01 . 1 . . . . 17 . . . 5335 1 170 . 1 1 20 20 VAL HG13 H 1 0.98 0.01 . 1 . . . . 17 . . . 5335 1 171 . 1 1 20 20 VAL HG21 H 1 0.84 0.01 . 1 . . . . 17 . . . 5335 1 172 . 1 1 20 20 VAL HG22 H 1 0.84 0.01 . 1 . . . . 17 . . . 5335 1 173 . 1 1 20 20 VAL HG23 H 1 0.84 0.01 . 1 . . . . 17 . . . 5335 1 174 . 1 1 20 20 VAL C C 13 176.4 0.1 . 1 . . . . 17 . . . 5335 1 175 . 1 1 20 20 VAL CA C 13 63.4 0.1 . 1 . . . . 17 . . . 5335 1 176 . 1 1 20 20 VAL CB C 13 32.1 0.1 . 1 . . . . 17 . . . 5335 1 177 . 1 1 20 20 VAL CG1 C 13 22.0 0.1 . 1 . . . . 17 . . . 5335 1 178 . 1 1 20 20 VAL CG2 C 13 21.0 0.1 . 1 . . . . 17 . . . 5335 1 179 . 1 1 20 20 VAL N N 15 126.9 0.1 . 1 . . . . 17 . . . 5335 1 180 . 1 1 21 21 TRP H H 1 9.21 0.01 . 1 . . . . 18 . . . 5335 1 181 . 1 1 21 21 TRP HA H 1 4.24 0.01 . 1 . . . . 18 . . . 5335 1 182 . 1 1 21 21 TRP HB2 H 1 2.76 0.01 . 2 . . . . 18 . . . 5335 1 183 . 1 1 21 21 TRP HB3 H 1 3.48 0.01 . 2 . . . . 18 . . . 5335 1 184 . 1 1 21 21 TRP HD1 H 1 7.20 0.01 . 1 . . . . 18 . . . 5335 1 185 . 1 1 21 21 TRP HE1 H 1 10.34 0.01 . 1 . . . . 18 . . . 5335 1 186 . 1 1 21 21 TRP HE3 H 1 7.33 0.01 . 1 . . . . 18 . . . 5335 1 187 . 1 1 21 21 TRP HZ2 H 1 7.62 0.01 . 1 . . . . 18 . . . 5335 1 188 . 1 1 21 21 TRP HZ3 H 1 6.74 0.01 . 1 . . . . 18 . . . 5335 1 189 . 1 1 21 21 TRP HH2 H 1 7.20 0.01 . 1 . . . . 18 . . . 5335 1 190 . 1 1 21 21 TRP C C 13 173.8 0.1 . 1 . . . . 18 . . . 5335 1 191 . 1 1 21 21 TRP CA C 13 57.5 0.1 . 1 . . . . 18 . . . 5335 1 192 . 1 1 21 21 TRP CB C 13 28.0 0.1 . 1 . . . . 18 . . . 5335 1 193 . 1 1 21 21 TRP CE3 C 13 119.4 0.1 . 1 . . . . 18 . . . 5335 1 194 . 1 1 21 21 TRP CZ2 C 13 115.9 0.1 . 1 . . . . 18 . . . 5335 1 195 . 1 1 21 21 TRP CZ3 C 13 121.0 0.1 . 1 . . . . 18 . . . 5335 1 196 . 1 1 21 21 TRP CH2 C 13 124.7 0.1 . 1 . . . . 18 . . . 5335 1 197 . 1 1 21 21 TRP N N 15 130.1 0.1 . 1 . . . . 18 . . . 5335 1 198 . 1 1 21 21 TRP NE1 N 15 131.0 0.1 . 1 . . . . 18 . . . 5335 1 199 . 1 1 22 22 GLY H H 1 6.92 0.01 . 1 . . . . 19 . . . 5335 1 200 . 1 1 22 22 GLY HA2 H 1 3.92 0.01 . 2 . . . . 19 . . . 5335 1 201 . 1 1 22 22 GLY HA3 H 1 4.13 0.01 . 2 . . . . 19 . . . 5335 1 202 . 1 1 22 22 GLY C C 13 174.6 0.1 . 1 . . . . 19 . . . 5335 1 203 . 1 1 22 22 GLY CA C 13 44.0 0.1 . 1 . . . . 19 . . . 5335 1 204 . 1 1 22 22 GLY N N 15 112.9 0.1 . 1 . . . . 19 . . . 5335 1 205 . 1 1 23 23 GLU HA H 1 3.82 0.01 . 1 . . . . 20 . . . 5335 1 206 . 1 1 23 23 GLU HB2 H 1 1.93 0.01 . 2 . . . . 20 . . . 5335 1 207 . 1 1 23 23 GLU HB3 H 1 2.02 0.01 . 2 . . . . 20 . . . 5335 1 208 . 1 1 23 23 GLU HG2 H 1 2.26 0.01 . 1 . . . . 20 . . . 5335 1 209 . 1 1 23 23 GLU HG3 H 1 2.26 0.01 . 1 . . . . 20 . . . 5335 1 210 . 1 1 23 23 GLU C C 13 176.6 0.1 . 1 . . . . 20 . . . 5335 1 211 . 1 1 23 23 GLU CA C 13 56.7 0.1 . 1 . . . . 20 . . . 5335 1 212 . 1 1 23 23 GLU CB C 13 30.2 0.1 . 1 . . . . 20 . . . 5335 1 213 . 1 1 24 24 ILE H H 1 7.58 0.01 . 1 . . . . 21 . . . 5335 1 214 . 1 1 24 24 ILE HA H 1 4.13 0.01 . 1 . . . . 21 . . . 5335 1 215 . 1 1 24 24 ILE HB H 1 1.95 0.01 . 1 . . . . 21 . . . 5335 1 216 . 1 1 24 24 ILE HG12 H 1 1.46 0.01 . 2 . . . . 21 . . . 5335 1 217 . 1 1 24 24 ILE HG13 H 1 1.26 0.01 . 2 . . . . 21 . . . 5335 1 218 . 1 1 24 24 ILE HG21 H 1 0.88 0.01 . 1 . . . . 21 . . . 5335 1 219 . 1 1 24 24 ILE HG22 H 1 0.88 0.01 . 1 . . . . 21 . . . 5335 1 220 . 1 1 24 24 ILE HG23 H 1 0.88 0.01 . 1 . . . . 21 . . . 5335 1 221 . 1 1 24 24 ILE HD11 H 1 0.90 0.01 . 1 . . . . 21 . . . 5335 1 222 . 1 1 24 24 ILE HD12 H 1 0.90 0.01 . 1 . . . . 21 . . . 5335 1 223 . 1 1 24 24 ILE HD13 H 1 0.90 0.01 . 1 . . . . 21 . . . 5335 1 224 . 1 1 24 24 ILE C C 13 174.6 0.1 . 1 . . . . 21 . . . 5335 1 225 . 1 1 24 24 ILE CA C 13 61.5 0.1 . 1 . . . . 21 . . . 5335 1 226 . 1 1 24 24 ILE CB C 13 38.3 0.1 . 1 . . . . 21 . . . 5335 1 227 . 1 1 24 24 ILE CG1 C 13 27.6 0.1 . 1 . . . . 21 . . . 5335 1 228 . 1 1 24 24 ILE CG2 C 13 17.6 0.1 . 1 . . . . 21 . . . 5335 1 229 . 1 1 24 24 ILE CD1 C 13 14.4 0.1 . 1 . . . . 21 . . . 5335 1 230 . 1 1 24 24 ILE N N 15 115.2 0.1 . 1 . . . . 21 . . . 5335 1 231 . 1 1 25 25 SER H H 1 7.79 0.01 . 1 . . . . 22 . . . 5335 1 232 . 1 1 25 25 SER HA H 1 4.99 0.01 . 1 . . . . 22 . . . 5335 1 233 . 1 1 25 25 SER HB2 H 1 3.83 0.01 . 2 . . . . 22 . . . 5335 1 234 . 1 1 25 25 SER HB3 H 1 3.95 0.01 . 2 . . . . 22 . . . 5335 1 235 . 1 1 25 25 SER CA C 13 54.1 0.1 . 1 . . . . 22 . . . 5335 1 236 . 1 1 25 25 SER CB C 13 63.9 0.1 . 1 . . . . 22 . . . 5335 1 237 . 1 1 25 25 SER N N 15 120.3 0.1 . 1 . . . . 22 . . . 5335 1 238 . 1 1 26 26 PRO HA H 1 4.01 0.01 . 1 . . . . 23 . . . 5335 1 239 . 1 1 26 26 PRO HB2 H 1 2.04 0.01 . 2 . . . . 23 . . . 5335 1 240 . 1 1 26 26 PRO HB3 H 1 0.84 0.01 . 2 . . . . 23 . . . 5335 1 241 . 1 1 26 26 PRO HG2 H 1 1.66 0.01 . 2 . . . . 23 . . . 5335 1 242 . 1 1 26 26 PRO HG3 H 1 1.77 0.01 . 2 . . . . 23 . . . 5335 1 243 . 1 1 26 26 PRO HD2 H 1 3.61 0.01 . 2 . . . . 23 . . . 5335 1 244 . 1 1 26 26 PRO HD3 H 1 3.81 0.01 . 2 . . . . 23 . . . 5335 1 245 . 1 1 26 26 PRO CA C 13 64.4 0.1 . 1 . . . . 23 . . . 5335 1 246 . 1 1 26 26 PRO CB C 13 31.9 0.1 . 1 . . . . 23 . . . 5335 1 247 . 1 1 26 26 PRO CG C 13 26.9 0.1 . 1 . . . . 23 . . . 5335 1 248 . 1 1 26 26 PRO CD C 13 51.1 0.1 . 1 . . . . 23 . . . 5335 1 249 . 1 1 27 27 PHE H H 1 8.35 0.01 . 1 . . . . 24 . . . 5335 1 250 . 1 1 27 27 PHE HA H 1 4.63 0.01 . 1 . . . . 24 . . . 5335 1 251 . 1 1 27 27 PHE HB2 H 1 2.44 0.01 . 2 . . . . 24 . . . 5335 1 252 . 1 1 27 27 PHE HB3 H 1 3.26 0.01 . 2 . . . . 24 . . . 5335 1 253 . 1 1 27 27 PHE HD1 H 1 7.15 0.01 . 1 . . . . 24 . . . 5335 1 254 . 1 1 27 27 PHE HD2 H 1 7.15 0.01 . 1 . . . . 24 . . . 5335 1 255 . 1 1 27 27 PHE HE1 H 1 7.40 0.01 . 1 . . . . 24 . . . 5335 1 256 . 1 1 27 27 PHE HE2 H 1 7.40 0.01 . 1 . . . . 24 . . . 5335 1 257 . 1 1 27 27 PHE C C 13 175.1 0.1 . 1 . . . . 24 . . . 5335 1 258 . 1 1 27 27 PHE CA C 13 55.9 0.1 . 1 . . . . 24 . . . 5335 1 259 . 1 1 27 27 PHE CB C 13 38.3 0.1 . 1 . . . . 24 . . . 5335 1 260 . 1 1 27 27 PHE CD1 C 13 131.8 0.1 . 1 . . . . 24 . . . 5335 1 261 . 1 1 27 27 PHE CD2 C 13 131.8 0.1 . 1 . . . . 24 . . . 5335 1 262 . 1 1 27 27 PHE CE1 C 13 131.8 0.1 . 1 . . . . 24 . . . 5335 1 263 . 1 1 27 27 PHE CE2 C 13 131.8 0.1 . 1 . . . . 24 . . . 5335 1 264 . 1 1 27 27 PHE N N 15 115.5 0.1 . 1 . . . . 24 . . . 5335 1 265 . 1 1 28 28 ARG H H 1 6.98 0.01 . 1 . . . . 25 . . . 5335 1 266 . 1 1 28 28 ARG HA H 1 4.17 0.01 . 1 . . . . 25 . . . 5335 1 267 . 1 1 28 28 ARG HB2 H 1 1.22 0.01 . 2 . . . . 25 . . . 5335 1 268 . 1 1 28 28 ARG HB3 H 1 1.41 0.01 . 2 . . . . 25 . . . 5335 1 269 . 1 1 28 28 ARG HG2 H 1 1.47 0.01 . 2 . . . . 25 . . . 5335 1 270 . 1 1 28 28 ARG HG3 H 1 0.56 0.01 . 2 . . . . 25 . . . 5335 1 271 . 1 1 28 28 ARG HD2 H 1 2.79 0.01 . 1 . . . . 25 . . . 5335 1 272 . 1 1 28 28 ARG HD3 H 1 2.79 0.01 . 1 . . . . 25 . . . 5335 1 273 . 1 1 28 28 ARG CA C 13 54.2 0.1 . 1 . . . . 25 . . . 5335 1 274 . 1 1 28 28 ARG CB C 13 27.1 0.1 . 1 . . . . 25 . . . 5335 1 275 . 1 1 28 28 ARG CG C 13 24.3 0.1 . 1 . . . . 25 . . . 5335 1 276 . 1 1 28 28 ARG CD C 13 43.3 0.1 . 1 . . . . 25 . . . 5335 1 277 . 1 1 28 28 ARG N N 15 119.2 0.1 . 1 . . . . 25 . . . 5335 1 278 . 1 1 29 29 PRO HA H 1 4.02 0.01 . 1 . . . . 26 . . . 5335 1 279 . 1 1 29 29 PRO HB2 H 1 2.08 0.01 . 2 . . . . 26 . . . 5335 1 280 . 1 1 29 29 PRO HB3 H 1 2.33 0.01 . 2 . . . . 26 . . . 5335 1 281 . 1 1 29 29 PRO HD2 H 1 3.88 0.01 . 2 . . . . 26 . . . 5335 1 282 . 1 1 29 29 PRO C C 13 172.7 0.1 . 1 . . . . 26 . . . 5335 1 283 . 1 1 29 29 PRO CA C 13 64.0 0.1 . 1 . . . . 26 . . . 5335 1 284 . 1 1 29 29 PRO CB C 13 35.2 0.1 . 1 . . . . 26 . . . 5335 1 285 . 1 1 30 30 PHE H H 1 8.50 0.01 . 1 . . . . 27 . . . 5335 1 286 . 1 1 30 30 PHE HA H 1 5.40 0.01 . 1 . . . . 27 . . . 5335 1 287 . 1 1 30 30 PHE HB2 H 1 3.21 0.01 . 1 . . . . 27 . . . 5335 1 288 . 1 1 30 30 PHE HB3 H 1 3.21 0.01 . 1 . . . . 27 . . . 5335 1 289 . 1 1 30 30 PHE HD1 H 1 7.52 0.01 . 1 . . . . 27 . . . 5335 1 290 . 1 1 30 30 PHE HD2 H 1 7.52 0.01 . 1 . . . . 27 . . . 5335 1 291 . 1 1 30 30 PHE HE1 H 1 7.42 0.01 . 1 . . . . 27 . . . 5335 1 292 . 1 1 30 30 PHE HE2 H 1 7.42 0.01 . 1 . . . . 27 . . . 5335 1 293 . 1 1 30 30 PHE C C 13 176.9 0.1 . 1 . . . . 27 . . . 5335 1 294 . 1 1 30 30 PHE CA C 13 57.5 0.1 . 1 . . . . 27 . . . 5335 1 295 . 1 1 30 30 PHE CB C 13 39.9 0.1 . 1 . . . . 27 . . . 5335 1 296 . 1 1 30 30 PHE CD1 C 13 132.0 0.1 . 1 . . . . 27 . . . 5335 1 297 . 1 1 30 30 PHE CD2 C 13 132.0 0.1 . 1 . . . . 27 . . . 5335 1 298 . 1 1 30 30 PHE N N 15 122.3 0.1 . 1 . . . . 27 . . . 5335 1 299 . 1 1 31 31 CYS H H 1 9.19 0.01 . 1 . . . . 28 . . . 5335 1 300 . 1 1 31 31 CYS HA H 1 4.49 0.01 . 1 . . . . 28 . . . 5335 1 301 . 1 1 31 31 CYS HB2 H 1 2.58 0.01 . 2 . . . . 28 . . . 5335 1 302 . 1 1 31 31 CYS HB3 H 1 3.25 0.01 . 2 . . . . 28 . . . 5335 1 303 . 1 1 31 31 CYS C C 13 176.1 0.1 . 1 . . . . 28 . . . 5335 1 304 . 1 1 31 31 CYS CA C 13 59.0 0.1 . 1 . . . . 28 . . . 5335 1 305 . 1 1 31 31 CYS CB C 13 31.6 0.1 . 1 . . . . 28 . . . 5335 1 306 . 1 1 31 31 CYS N N 15 117.8 0.1 . 1 . . . . 28 . . . 5335 1 307 . 1 1 32 32 SER H H 1 7.40 0.01 . 1 . . . . 29 . . . 5335 1 308 . 1 1 32 32 SER HA H 1 4.45 0.01 . 1 . . . . 29 . . . 5335 1 309 . 1 1 32 32 SER HB2 H 1 3.87 0.01 . 2 . . . . 29 . . . 5335 1 310 . 1 1 32 32 SER HB3 H 1 4.29 0.01 . 2 . . . . 29 . . . 5335 1 311 . 1 1 32 32 SER C C 13 172.3 0.1 . 1 . . . . 29 . . . 5335 1 312 . 1 1 32 32 SER CA C 13 57.1 0.1 . 1 . . . . 29 . . . 5335 1 313 . 1 1 32 32 SER CB C 13 64.0 0.1 . 1 . . . . 29 . . . 5335 1 314 . 1 1 32 32 SER N N 15 112.6 0.1 . 1 . . . . 29 . . . 5335 1 315 . 1 1 33 33 LYS H H 1 8.04 0.01 . 1 . . . . 30 . . . 5335 1 316 . 1 1 33 33 LYS HA H 1 3.08 0.01 . 1 . . . . 30 . . . 5335 1 317 . 1 1 33 33 LYS HB2 H 1 1.11 0.01 . 2 . . . . 30 . . . 5335 1 318 . 1 1 33 33 LYS HB3 H 1 1.48 0.01 . 2 . . . . 30 . . . 5335 1 319 . 1 1 33 33 LYS HG2 H 1 1.26 0.01 . 2 . . . . 30 . . . 5335 1 320 . 1 1 33 33 LYS HG3 H 1 1.15 0.01 . 2 . . . . 30 . . . 5335 1 321 . 1 1 33 33 LYS HD2 H 1 1.66 0.01 . 1 . . . . 30 . . . 5335 1 322 . 1 1 33 33 LYS HD3 H 1 1.66 0.01 . 1 . . . . 30 . . . 5335 1 323 . 1 1 33 33 LYS HE2 H 1 2.92 0.01 . 1 . . . . 30 . . . 5335 1 324 . 1 1 33 33 LYS HE3 H 1 2.92 0.01 . 1 . . . . 30 . . . 5335 1 325 . 1 1 33 33 LYS C C 13 177.9 0.1 . 1 . . . . 30 . . . 5335 1 326 . 1 1 33 33 LYS CA C 13 58.1 0.1 . 1 . . . . 30 . . . 5335 1 327 . 1 1 33 33 LYS CB C 13 31.4 0.1 . 1 . . . . 30 . . . 5335 1 328 . 1 1 33 33 LYS CG C 13 24.3 0.1 . 1 . . . . 30 . . . 5335 1 329 . 1 1 33 33 LYS CD C 13 28.9 0.1 . 1 . . . . 30 . . . 5335 1 330 . 1 1 33 33 LYS CE C 13 42.3 0.1 . 1 . . . . 30 . . . 5335 1 331 . 1 1 33 33 LYS N N 15 123.4 0.1 . 1 . . . . 30 . . . 5335 1 332 . 1 1 34 34 ARG H H 1 8.12 0.01 . 1 . . . . 31 . . . 5335 1 333 . 1 1 34 34 ARG HA H 1 3.45 0.01 . 1 . . . . 31 . . . 5335 1 334 . 1 1 34 34 ARG HB2 H 1 1.54 0.01 . 1 . . . . 31 . . . 5335 1 335 . 1 1 34 34 ARG HB3 H 1 1.54 0.01 . 1 . . . . 31 . . . 5335 1 336 . 1 1 34 34 ARG HG2 H 1 1.04 0.01 . 2 . . . . 31 . . . 5335 1 337 . 1 1 34 34 ARG HG3 H 1 0.53 0.01 . 2 . . . . 31 . . . 5335 1 338 . 1 1 34 34 ARG HD2 H 1 2.95 0.01 . 1 . . . . 31 . . . 5335 1 339 . 1 1 34 34 ARG HD3 H 1 2.95 0.01 . 1 . . . . 31 . . . 5335 1 340 . 1 1 34 34 ARG C C 13 177.4 0.1 . 1 . . . . 31 . . . 5335 1 341 . 1 1 34 34 ARG CA C 13 59.4 0.1 . 1 . . . . 31 . . . 5335 1 342 . 1 1 34 34 ARG CB C 13 29.5 0.1 . 1 . . . . 31 . . . 5335 1 343 . 1 1 34 34 ARG CG C 13 26.3 0.1 . 1 . . . . 31 . . . 5335 1 344 . 1 1 34 34 ARG CD C 13 43.1 0.1 . 1 . . . . 31 . . . 5335 1 345 . 1 1 34 34 ARG N N 15 117.8 0.1 . 1 . . . . 31 . . . 5335 1 346 . 1 1 35 35 CYS H H 1 7.55 0.01 . 1 . . . . 32 . . . 5335 1 347 . 1 1 35 35 CYS HA H 1 3.87 0.01 . 1 . . . . 32 . . . 5335 1 348 . 1 1 35 35 CYS HB2 H 1 2.92 0.01 . 1 . . . . 32 . . . 5335 1 349 . 1 1 35 35 CYS HB3 H 1 2.92 0.01 . 1 . . . . 32 . . . 5335 1 350 . 1 1 35 35 CYS C C 13 178.1 0.1 . 1 . . . . 32 . . . 5335 1 351 . 1 1 35 35 CYS CA C 13 66.3 0.1 . 1 . . . . 32 . . . 5335 1 352 . 1 1 35 35 CYS CB C 13 31.2 0.1 . 1 . . . . 32 . . . 5335 1 353 . 1 1 35 35 CYS N N 15 116.4 0.1 . 1 . . . . 32 . . . 5335 1 354 . 1 1 36 36 GLN H H 1 7.29 0.01 . 1 . . . . 33 . . . 5335 1 355 . 1 1 36 36 GLN HA H 1 2.11 0.01 . 1 . . . . 33 . . . 5335 1 356 . 1 1 36 36 GLN HB2 H 1 2.20 0.01 . 2 . . . . 33 . . . 5335 1 357 . 1 1 36 36 GLN HB3 H 1 1.57 0.01 . 2 . . . . 33 . . . 5335 1 358 . 1 1 36 36 GLN HG2 H 1 2.08 0.01 . 2 . . . . 33 . . . 5335 1 359 . 1 1 36 36 GLN HG3 H 1 1.78 0.01 . 2 . . . . 33 . . . 5335 1 360 . 1 1 36 36 GLN C C 13 177.0 0.1 . 1 . . . . 33 . . . 5335 1 361 . 1 1 36 36 GLN CA C 13 58.4 0.1 . 1 . . . . 33 . . . 5335 1 362 . 1 1 36 36 GLN CB C 13 29.0 0.1 . 1 . . . . 33 . . . 5335 1 363 . 1 1 36 36 GLN CG C 13 34.0 0.1 . 1 . . . . 33 . . . 5335 1 364 . 1 1 36 36 GLN N N 15 121.8 0.1 . 1 . . . . 33 . . . 5335 1 365 . 1 1 37 37 LEU H H 1 8.40 0.01 . 1 . . . . 34 . . . 5335 1 366 . 1 1 37 37 LEU HA H 1 3.93 0.01 . 1 . . . . 34 . . . 5335 1 367 . 1 1 37 37 LEU HB2 H 1 1.29 0.01 . 2 . . . . 34 . . . 5335 1 368 . 1 1 37 37 LEU HB3 H 1 1.96 0.01 . 2 . . . . 34 . . . 5335 1 369 . 1 1 37 37 LEU HG H 1 0.87 0.01 . 1 . . . . 34 . . . 5335 1 370 . 1 1 37 37 LEU HD11 H 1 0.82 0.01 . 2 . . . . 34 . . . 5335 1 371 . 1 1 37 37 LEU HD12 H 1 0.82 0.01 . 2 . . . . 34 . . . 5335 1 372 . 1 1 37 37 LEU HD13 H 1 0.82 0.01 . 2 . . . . 34 . . . 5335 1 373 . 1 1 37 37 LEU HD21 H 1 1.75 0.01 . 2 . . . . 34 . . . 5335 1 374 . 1 1 37 37 LEU HD22 H 1 1.75 0.01 . 2 . . . . 34 . . . 5335 1 375 . 1 1 37 37 LEU HD23 H 1 1.75 0.01 . 2 . . . . 34 . . . 5335 1 376 . 1 1 37 37 LEU C C 13 168.3 0.1 . 1 . . . . 34 . . . 5335 1 377 . 1 1 37 37 LEU CA C 13 57.6 0.1 . 1 . . . . 34 . . . 5335 1 378 . 1 1 37 37 LEU CB C 13 41.5 0.1 . 1 . . . . 34 . . . 5335 1 379 . 1 1 37 37 LEU CG C 13 25.9 0.1 . 1 . . . . 34 . . . 5335 1 380 . 1 1 37 37 LEU CD1 C 13 22.8 0.1 . 1 . . . . 34 . . . 5335 1 381 . 1 1 37 37 LEU CD2 C 13 22.8 0.1 . 1 . . . . 34 . . . 5335 1 382 . 1 1 37 37 LEU N N 15 119.1 0.1 . 1 . . . . 34 . . . 5335 1 383 . 1 1 38 38 ILE H H 1 8.25 0.01 . 1 . . . . 35 . . . 5335 1 384 . 1 1 38 38 ILE HA H 1 3.85 0.01 . 1 . . . . 35 . . . 5335 1 385 . 1 1 38 38 ILE HB H 1 1.69 0.01 . 1 . . . . 35 . . . 5335 1 386 . 1 1 38 38 ILE HG12 H 1 1.54 0.01 . 2 . . . . 35 . . . 5335 1 387 . 1 1 38 38 ILE HG13 H 1 0.90 0.01 . 2 . . . . 35 . . . 5335 1 388 . 1 1 38 38 ILE HG21 H 1 0.92 0.01 . 1 . . . . 35 . . . 5335 1 389 . 1 1 38 38 ILE HG22 H 1 0.92 0.01 . 1 . . . . 35 . . . 5335 1 390 . 1 1 38 38 ILE HG23 H 1 0.92 0.01 . 1 . . . . 35 . . . 5335 1 391 . 1 1 38 38 ILE HD11 H 1 0.57 0.01 . 1 . . . . 35 . . . 5335 1 392 . 1 1 38 38 ILE HD12 H 1 0.57 0.01 . 1 . . . . 35 . . . 5335 1 393 . 1 1 38 38 ILE HD13 H 1 0.57 0.01 . 1 . . . . 35 . . . 5335 1 394 . 1 1 38 38 ILE C C 13 179.2 0.1 . 1 . . . . 35 . . . 5335 1 395 . 1 1 38 38 ILE CA C 13 65.0 0.1 . 1 . . . . 35 . . . 5335 1 396 . 1 1 38 38 ILE CB C 13 38.1 0.1 . 1 . . . . 35 . . . 5335 1 397 . 1 1 38 38 ILE CG1 C 13 30.0 0.1 . 1 . . . . 35 . . . 5335 1 398 . 1 1 38 38 ILE CG2 C 13 17.3 0.1 . 1 . . . . 35 . . . 5335 1 399 . 1 1 38 38 ILE CD1 C 13 14.0 0.1 . 1 . . . . 35 . . . 5335 1 400 . 1 1 38 38 ILE N N 15 121.0 0.1 . 1 . . . . 35 . . . 5335 1 401 . 1 1 39 39 ASP H H 1 7.17 0.01 . 1 . . . . 36 . . . 5335 1 402 . 1 1 39 39 ASP HA H 1 4.38 0.01 . 1 . . . . 36 . . . 5335 1 403 . 1 1 39 39 ASP HB2 H 1 2.59 0.01 . 1 . . . . 36 . . . 5335 1 404 . 1 1 39 39 ASP HB3 H 1 2.59 0.01 . 1 . . . . 36 . . . 5335 1 405 . 1 1 39 39 ASP C C 13 177.4 0.1 . 1 . . . . 36 . . . 5335 1 406 . 1 1 39 39 ASP CA C 13 57.8 0.1 . 1 . . . . 36 . . . 5335 1 407 . 1 1 39 39 ASP CB C 13 43.9 0.1 . 1 . . . . 36 . . . 5335 1 408 . 1 1 39 39 ASP N N 15 121.6 0.1 . 1 . . . . 36 . . . 5335 1 409 . 1 1 40 40 LEU H H 1 7.63 0.01 . 1 . . . . 37 . . . 5335 1 410 . 1 1 40 40 LEU HA H 1 4.23 0.01 . 1 . . . . 37 . . . 5335 1 411 . 1 1 40 40 LEU HB2 H 1 1.81 0.01 . 2 . . . . 37 . . . 5335 1 412 . 1 1 40 40 LEU HB3 H 1 1.72 0.01 . 2 . . . . 37 . . . 5335 1 413 . 1 1 40 40 LEU HG H 1 0.87 0.01 . 1 . . . . 37 . . . 5335 1 414 . 1 1 40 40 LEU HD11 H 1 0.92 0.01 . 2 . . . . 37 . . . 5335 1 415 . 1 1 40 40 LEU HD12 H 1 0.92 0.01 . 2 . . . . 37 . . . 5335 1 416 . 1 1 40 40 LEU HD13 H 1 0.92 0.01 . 2 . . . . 37 . . . 5335 1 417 . 1 1 40 40 LEU HD21 H 1 1.84 0.01 . 2 . . . . 37 . . . 5335 1 418 . 1 1 40 40 LEU HD22 H 1 1.84 0.01 . 2 . . . . 37 . . . 5335 1 419 . 1 1 40 40 LEU HD23 H 1 1.84 0.01 . 2 . . . . 37 . . . 5335 1 420 . 1 1 40 40 LEU C C 13 178.1 0.1 . 1 . . . . 37 . . . 5335 1 421 . 1 1 40 40 LEU CA C 13 55.6 0.1 . 1 . . . . 37 . . . 5335 1 422 . 1 1 40 40 LEU CB C 13 43.2 0.1 . 1 . . . . 37 . . . 5335 1 423 . 1 1 40 40 LEU CG C 13 25.6 0.1 . 1 . . . . 37 . . . 5335 1 424 . 1 1 40 40 LEU CD1 C 13 23.5 0.1 . 1 . . . . 37 . . . 5335 1 425 . 1 1 40 40 LEU CD2 C 13 23.5 0.1 . 1 . . . . 37 . . . 5335 1 426 . 1 1 40 40 LEU N N 15 115.8 0.1 . 1 . . . . 37 . . . 5335 1 427 . 1 1 41 41 GLY H H 1 7.97 0.01 . 1 . . . . 38 . . . 5335 1 428 . 1 1 41 41 GLY HA2 H 1 4.14 0.01 . 2 . . . . 38 . . . 5335 1 429 . 1 1 41 41 GLY HA3 H 1 3.95 0.01 . 2 . . . . 38 . . . 5335 1 430 . 1 1 41 41 GLY C C 13 175.1 0.1 . 1 . . . . 38 . . . 5335 1 431 . 1 1 41 41 GLY CA C 13 45.7 0.1 . 1 . . . . 38 . . . 5335 1 432 . 1 1 41 41 GLY N N 15 107.6 0.1 . 1 . . . . 38 . . . 5335 1 433 . 1 1 42 42 GLU H H 1 8.07 0.01 . 1 . . . . 39 . . . 5335 1 434 . 1 1 42 42 GLU HA H 1 4.39 0.01 . 1 . . . . 39 . . . 5335 1 435 . 1 1 42 42 GLU HB2 H 1 1.71 0.01 . 2 . . . . 39 . . . 5335 1 436 . 1 1 42 42 GLU HB3 H 1 2.21 0.01 . 2 . . . . 39 . . . 5335 1 437 . 1 1 42 42 GLU HG2 H 1 2.13 0.01 . 1 . . . . 39 . . . 5335 1 438 . 1 1 42 42 GLU HG3 H 1 2.13 0.01 . 1 . . . . 39 . . . 5335 1 439 . 1 1 42 42 GLU C C 13 175.7 0.1 . 1 . . . . 39 . . . 5335 1 440 . 1 1 42 42 GLU CA C 13 56.0 0.1 . 1 . . . . 39 . . . 5335 1 441 . 1 1 42 42 GLU CB C 13 31.0 0.1 . 1 . . . . 39 . . . 5335 1 442 . 1 1 42 42 GLU CG C 13 36.2 0.1 . 1 . . . . 39 . . . 5335 1 443 . 1 1 42 42 GLU N N 15 119.1 0.1 . 1 . . . . 39 . . . 5335 1 444 . 1 1 43 43 TRP H H 1 7.79 0.01 . 1 . . . . 40 . . . 5335 1 445 . 1 1 43 43 TRP HA H 1 4.58 0.01 . 1 . . . . 40 . . . 5335 1 446 . 1 1 43 43 TRP HB2 H 1 2.95 0.01 . 2 . . . . 40 . . . 5335 1 447 . 1 1 43 43 TRP HB3 H 1 3.18 0.01 . 2 . . . . 40 . . . 5335 1 448 . 1 1 43 43 TRP HD1 H 1 7.18 0.01 . 1 . . . . 40 . . . 5335 1 449 . 1 1 43 43 TRP HE1 H 1 10.28 0.1 . 1 . . . . 40 . . . 5335 1 450 . 1 1 43 43 TRP HE3 H 1 7.57 0.01 . 1 . . . . 40 . . . 5335 1 451 . 1 1 43 43 TRP HZ2 H 1 7.64 0.01 . 1 . . . . 40 . . . 5335 1 452 . 1 1 43 43 TRP HZ3 H 1 7.07 0.01 . 1 . . . . 40 . . . 5335 1 453 . 1 1 43 43 TRP C C 13 175.3 0.1 . 1 . . . . 40 . . . 5335 1 454 . 1 1 43 43 TRP CA C 13 57.1 0.1 . 1 . . . . 40 . . . 5335 1 455 . 1 1 43 43 TRP CB C 13 30.8 0.1 . 1 . . . . 40 . . . 5335 1 456 . 1 1 43 43 TRP CD1 C 13 127.5 0.1 . 1 . . . . 40 . . . 5335 1 457 . 1 1 43 43 TRP CE3 C 13 120.9 0.1 . 1 . . . . 40 . . . 5335 1 458 . 1 1 43 43 TRP CZ2 C 13 114.9 0.1 . 1 . . . . 40 . . . 5335 1 459 . 1 1 43 43 TRP CZ3 C 13 121.6 0.1 . 1 . . . . 40 . . . 5335 1 460 . 1 1 43 43 TRP N N 15 121.4 0.1 . 1 . . . . 40 . . . 5335 1 461 . 1 1 43 43 TRP NE1 N 15 129.4 0.1 . 1 . . . . 40 . . . 5335 1 462 . 1 1 44 44 ALA H H 1 7.82 0.01 . 1 . . . . 41 . . . 5335 1 463 . 1 1 44 44 ALA HA H 1 4.14 0.01 . 1 . . . . 41 . . . 5335 1 464 . 1 1 44 44 ALA HB1 H 1 1.20 0.01 . 1 . . . . 41 . . . 5335 1 465 . 1 1 44 44 ALA HB2 H 1 1.20 0.01 . 1 . . . . 41 . . . 5335 1 466 . 1 1 44 44 ALA HB3 H 1 1.20 0.01 . 1 . . . . 41 . . . 5335 1 467 . 1 1 44 44 ALA C C 13 176.8 0.1 . 1 . . . . 41 . . . 5335 1 468 . 1 1 44 44 ALA CA C 13 52.1 0.1 . 1 . . . . 41 . . . 5335 1 469 . 1 1 44 44 ALA CB C 13 19.2 0.1 . 1 . . . . 41 . . . 5335 1 470 . 1 1 44 44 ALA N N 15 127.0 0.1 . 1 . . . . 41 . . . 5335 1 471 . 1 1 45 45 ALA H H 1 7.84 0.01 . 1 . . . . 42 . . . 5335 1 472 . 1 1 45 45 ALA HA H 1 4.13 0.01 . 1 . . . . 42 . . . 5335 1 473 . 1 1 45 45 ALA HB1 H 1 1.20 0.01 . 1 . . . . 42 . . . 5335 1 474 . 1 1 45 45 ALA HB2 H 1 1.20 0.01 . 1 . . . . 42 . . . 5335 1 475 . 1 1 45 45 ALA HB3 H 1 1.20 0.01 . 1 . . . . 42 . . . 5335 1 476 . 1 1 45 45 ALA C C 13 178.0 0.1 . 1 . . . . 42 . . . 5335 1 477 . 1 1 45 45 ALA CA C 13 52.6 0.1 . 1 . . . . 42 . . . 5335 1 478 . 1 1 45 45 ALA CB C 13 19.1 0.1 . 1 . . . . 42 . . . 5335 1 479 . 1 1 45 45 ALA N N 15 122.6 0.1 . 1 . . . . 42 . . . 5335 1 480 . 1 1 46 46 GLU H H 1 8.25 0.01 . 1 . . . . 43 . . . 5335 1 481 . 1 1 46 46 GLU HA H 1 4.18 0.01 . 1 . . . . 43 . . . 5335 1 482 . 1 1 46 46 GLU HB2 H 1 1.92 0.01 . 2 . . . . 43 . . . 5335 1 483 . 1 1 46 46 GLU HB3 H 1 2.01 0.01 . 2 . . . . 43 . . . 5335 1 484 . 1 1 46 46 GLU HG2 H 1 2.25 0.01 . 1 . . . . 43 . . . 5335 1 485 . 1 1 46 46 GLU HG3 H 1 2.25 0.01 . 1 . . . . 43 . . . 5335 1 486 . 1 1 46 46 GLU C C 13 176.7 0.1 . 1 . . . . 43 . . . 5335 1 487 . 1 1 46 46 GLU CA C 13 56.7 0.1 . 1 . . . . 43 . . . 5335 1 488 . 1 1 46 46 GLU CB C 13 30.2 0.1 . 1 . . . . 43 . . . 5335 1 489 . 1 1 46 46 GLU CG C 13 36.3 0.1 . 1 . . . . 43 . . . 5335 1 490 . 1 1 46 46 GLU N N 15 119.6 0.1 . 1 . . . . 43 . . . 5335 1 491 . 1 1 47 47 GLU H H 1 8.32 0.01 . 1 . . . . 44 . . . 5335 1 492 . 1 1 47 47 GLU HA H 1 4.23 0.01 . 1 . . . . 44 . . . 5335 1 493 . 1 1 47 47 GLU HB2 H 1 1.91 0.01 . 2 . . . . 44 . . . 5335 1 494 . 1 1 47 47 GLU HB3 H 1 2.02 0.01 . 2 . . . . 44 . . . 5335 1 495 . 1 1 47 47 GLU HG2 H 1 2.22 0.01 . 1 . . . . 44 . . . 5335 1 496 . 1 1 47 47 GLU HG3 H 1 2.22 0.01 . 1 . . . . 44 . . . 5335 1 497 . 1 1 47 47 GLU C C 13 176.4 0.1 . 1 . . . . 44 . . . 5335 1 498 . 1 1 47 47 GLU CA C 13 56.6 0.1 . 1 . . . . 44 . . . 5335 1 499 . 1 1 47 47 GLU CB C 13 30.2 0.1 . 1 . . . . 44 . . . 5335 1 500 . 1 1 47 47 GLU CG C 13 36.3 0.1 . 1 . . . . 44 . . . 5335 1 501 . 1 1 47 47 GLU N N 15 121.8 0.1 . 1 . . . . 44 . . . 5335 1 502 . 1 1 48 48 LYS H H 1 8.21 0.01 . 1 . . . . 45 . . . 5335 1 503 . 1 1 48 48 LYS HA H 1 4.30 0.01 . 1 . . . . 45 . . . 5335 1 504 . 1 1 48 48 LYS HB2 H 1 1.71 0.01 . 2 . . . . 45 . . . 5335 1 505 . 1 1 48 48 LYS HB3 H 1 1.81 0.01 . 2 . . . . 45 . . . 5335 1 506 . 1 1 48 48 LYS HG2 H 1 1.41 0.01 . 1 . . . . 45 . . . 5335 1 507 . 1 1 48 48 LYS HG3 H 1 1.41 0.01 . 1 . . . . 45 . . . 5335 1 508 . 1 1 48 48 LYS C C 13 176.8 0.1 . 1 . . . . 45 . . . 5335 1 509 . 1 1 48 48 LYS CA C 13 56.1 0.1 . 1 . . . . 45 . . . 5335 1 510 . 1 1 48 48 LYS CB C 13 32.8 0.1 . 1 . . . . 45 . . . 5335 1 511 . 1 1 48 48 LYS CG C 13 24.8 0.1 . 1 . . . . 45 . . . 5335 1 512 . 1 1 48 48 LYS CD C 13 29.1 0.1 . 1 . . . . 45 . . . 5335 1 513 . 1 1 48 48 LYS CE C 13 42.3 0.1 . 1 . . . . 45 . . . 5335 1 514 . 1 1 48 48 LYS N N 15 122.1 0.1 . 1 . . . . 45 . . . 5335 1 515 . 1 1 49 49 ARG H H 1 8.26 0.01 . 1 . . . . 46 . . . 5335 1 516 . 1 1 49 49 ARG HA H 1 4.33 0.01 . 1 . . . . 46 . . . 5335 1 517 . 1 1 49 49 ARG HB2 H 1 1.76 0.01 . 1 . . . . 46 . . . 5335 1 518 . 1 1 49 49 ARG HB3 H 1 1.76 0.01 . 1 . . . . 46 . . . 5335 1 519 . 1 1 49 49 ARG HG2 H 1 1.57 0.01 . 1 . . . . 46 . . . 5335 1 520 . 1 1 49 49 ARG HG3 H 1 1.57 0.01 . 1 . . . . 46 . . . 5335 1 521 . 1 1 49 49 ARG HD2 H 1 3.16 0.01 . 1 . . . . 46 . . . 5335 1 522 . 1 1 49 49 ARG HD3 H 1 3.16 0.01 . 1 . . . . 46 . . . 5335 1 523 . 1 1 49 49 ARG CA C 13 55.7 0.1 . 1 . . . . 46 . . . 5335 1 524 . 1 1 49 49 ARG CB C 13 30.8 0.1 . 1 . . . . 46 . . . 5335 1 525 . 1 1 49 49 ARG CG C 13 27.3 0.1 . 1 . . . . 46 . . . 5335 1 526 . 1 1 49 49 ARG CD C 13 43.3 0.1 . 1 . . . . 46 . . . 5335 1 527 . 1 1 49 49 ARG N N 15 122.6 0.1 . 1 . . . . 46 . . . 5335 1 528 . 1 1 50 50 ILE H H 1 8.25 0.01 . 1 . . . . 47 . . . 5335 1 529 . 1 1 50 50 ILE HA H 1 4.46 0.01 . 1 . . . . 47 . . . 5335 1 530 . 1 1 50 50 ILE HB H 1 1.88 0.01 . 1 . . . . 47 . . . 5335 1 531 . 1 1 50 50 ILE CA C 13 58.5 0.1 . 1 . . . . 47 . . . 5335 1 532 . 1 1 50 50 ILE CB C 13 38.5 0.1 . 1 . . . . 47 . . . 5335 1 533 . 1 1 50 50 ILE N N 15 124.1 0.1 . 1 . . . . 47 . . . 5335 1 534 . 1 1 51 51 PRO HA H 1 4.45 0.01 . 1 . . . . 48 . . . 5335 1 535 . 1 1 51 51 PRO HB2 H 1 2.05 0.01 . 2 . . . . 48 . . . 5335 1 536 . 1 1 51 51 PRO HB3 H 1 2.31 0.01 . 2 . . . . 48 . . . 5335 1 537 . 1 1 51 51 PRO HG2 H 1 1.96 0.01 . 1 . . . . 48 . . . 5335 1 538 . 1 1 51 51 PRO HG3 H 1 1.96 0.01 . 1 . . . . 48 . . . 5335 1 539 . 1 1 51 51 PRO HD2 H 1 3.70 0.01 . 1 . . . . 48 . . . 5335 1 540 . 1 1 51 51 PRO HD3 H 1 3.70 0.01 . 1 . . . . 48 . . . 5335 1 541 . 1 1 51 51 PRO C C 13 176.9 0.1 . 1 . . . . 48 . . . 5335 1 542 . 1 1 51 51 PRO CA C 13 63.5 0.1 . 1 . . . . 48 . . . 5335 1 543 . 1 1 51 51 PRO CB C 13 32.3 0.1 . 1 . . . . 48 . . . 5335 1 544 . 1 1 51 51 PRO CG C 13 27.5 0.1 . 1 . . . . 48 . . . 5335 1 545 . 1 1 51 51 PRO CD C 13 51.2 0.1 . 1 . . . . 48 . . . 5335 1 546 . 1 1 52 52 SER H H 1 8.50 0.01 . 1 . . . . 49 . . . 5335 1 547 . 1 1 52 52 SER HA H 1 4.45 0.01 . 1 . . . . 49 . . . 5335 1 548 . 1 1 52 52 SER HB2 H 1 3.94 0.01 . 1 . . . . 49 . . . 5335 1 549 . 1 1 52 52 SER HB3 H 1 3.94 0.01 . 1 . . . . 49 . . . 5335 1 550 . 1 1 52 52 SER C C 13 174.9 0.1 . 1 . . . . 49 . . . 5335 1 551 . 1 1 52 52 SER CA C 13 58.2 0.1 . 1 . . . . 49 . . . 5335 1 552 . 1 1 52 52 SER CB C 13 64.0 0.1 . 1 . . . . 49 . . . 5335 1 553 . 1 1 52 52 SER N N 15 116.5 0.1 . 1 . . . . 49 . . . 5335 1 554 . 1 1 53 53 SER H H 1 8.42 0.01 . 1 . . . . 50 . . . 5335 1 555 . 1 1 53 53 SER HA H 1 4.47 0.01 . 1 . . . . 50 . . . 5335 1 556 . 1 1 53 53 SER HB2 H 1 3.92 0.01 . 1 . . . . 50 . . . 5335 1 557 . 1 1 53 53 SER HB3 H 1 3.92 0.01 . 1 . . . . 50 . . . 5335 1 558 . 1 1 53 53 SER C C 13 175.1 0.1 . 1 . . . . 50 . . . 5335 1 559 . 1 1 53 53 SER CA C 13 58.5 0.1 . 1 . . . . 50 . . . 5335 1 560 . 1 1 53 53 SER CB C 13 63.8 0.1 . 1 . . . . 50 . . . 5335 1 561 . 1 1 53 53 SER N N 15 117.7 0.1 . 1 . . . . 50 . . . 5335 1 562 . 1 1 54 54 GLY H H 1 8.41 0.01 . 1 . . . . 51 . . . 5335 1 563 . 1 1 54 54 GLY HA2 H 1 3.98 0.01 . 1 . . . . 51 . . . 5335 1 564 . 1 1 54 54 GLY HA3 H 1 3.98 0.01 . 1 . . . . 51 . . . 5335 1 565 . 1 1 54 54 GLY C C 13 173.8 0.1 . 1 . . . . 51 . . . 5335 1 566 . 1 1 54 54 GLY CA C 13 45.3 0.1 . 1 . . . . 51 . . . 5335 1 567 . 1 1 54 54 GLY N N 15 110.7 0.1 . 1 . . . . 51 . . . 5335 1 568 . 1 1 55 55 ASP H H 1 8.19 0.01 . 1 . . . . 52 . . . 5335 1 569 . 1 1 55 55 ASP HA H 1 4.62 0.01 . 1 . . . . 52 . . . 5335 1 570 . 1 1 55 55 ASP HB2 H 1 2.62 0.01 . 2 . . . . 52 . . . 5335 1 571 . 1 1 55 55 ASP HB3 H 1 2.73 0.01 . 2 . . . . 52 . . . 5335 1 572 . 1 1 55 55 ASP C C 13 176.4 0.1 . 1 . . . . 52 . . . 5335 1 573 . 1 1 55 55 ASP CA C 13 54.3 0.1 . 1 . . . . 52 . . . 5335 1 574 . 1 1 55 55 ASP CB C 13 41.0 0.1 . 1 . . . . 52 . . . 5335 1 575 . 1 1 55 55 ASP N N 15 120.5 0.1 . 1 . . . . 52 . . . 5335 1 576 . 1 1 56 56 LEU H H 1 8.26 0.01 . 1 . . . . 53 . . . 5335 1 577 . 1 1 56 56 LEU HA H 1 4.38 0.01 . 1 . . . . 53 . . . 5335 1 578 . 1 1 56 56 LEU HB2 H 1 1.66 0.01 . 1 . . . . 53 . . . 5335 1 579 . 1 1 56 56 LEU HB3 H 1 1.66 0.01 . 1 . . . . 53 . . . 5335 1 580 . 1 1 56 56 LEU HG H 1 1.58 0.01 . 1 . . . . 53 . . . 5335 1 581 . 1 1 56 56 LEU C C 13 177.6 0.1 . 1 . . . . 53 . . . 5335 1 582 . 1 1 56 56 LEU CA C 13 55.2 0.1 . 1 . . . . 53 . . . 5335 1 583 . 1 1 56 56 LEU CB C 13 41.9 0.1 . 1 . . . . 53 . . . 5335 1 584 . 1 1 56 56 LEU CG C 13 27.1 0.1 . 1 . . . . 53 . . . 5335 1 585 . 1 1 56 56 LEU CD1 C 13 23.5 0.1 . 2 . . . . 53 . . . 5335 1 586 . 1 1 56 56 LEU CD2 C 13 25.1 0.1 . 2 . . . . 53 . . . 5335 1 587 . 1 1 56 56 LEU N N 15 122.8 0.1 . 1 . . . . 53 . . . 5335 1 588 . 1 1 57 57 SER H H 1 8.36 0.01 . 1 . . . . 54 . . . 5335 1 589 . 1 1 57 57 SER HA H 1 4.40 0.01 . 1 . . . . 54 . . . 5335 1 590 . 1 1 57 57 SER HB2 H 1 3.87 0.01 . 1 . . . . 54 . . . 5335 1 591 . 1 1 57 57 SER HB3 H 1 3.87 0.01 . 1 . . . . 54 . . . 5335 1 592 . 1 1 57 57 SER C C 13 174.7 0.1 . 1 . . . . 54 . . . 5335 1 593 . 1 1 57 57 SER CA C 13 58.5 0.1 . 1 . . . . 54 . . . 5335 1 594 . 1 1 57 57 SER CB C 13 63.8 0.1 . 1 . . . . 54 . . . 5335 1 595 . 1 1 57 57 SER N N 15 116.6 0.1 . 1 . . . . 54 . . . 5335 1 596 . 1 1 58 58 GLU H H 1 8.39 0.01 . 1 . . . . 55 . . . 5335 1 597 . 1 1 58 58 GLU HA H 1 4.39 0.01 . 1 . . . . 55 . . . 5335 1 598 . 1 1 58 58 GLU HB2 H 1 1.95 0.01 . 2 . . . . 55 . . . 5335 1 599 . 1 1 58 58 GLU HB3 H 1 2.12 0.01 . 2 . . . . 55 . . . 5335 1 600 . 1 1 58 58 GLU HG2 H 1 2.29 0.01 . 1 . . . . 55 . . . 5335 1 601 . 1 1 58 58 GLU HG3 H 1 2.29 0.01 . 1 . . . . 55 . . . 5335 1 602 . 1 1 58 58 GLU C C 13 176.5 0.1 . 1 . . . . 55 . . . 5335 1 603 . 1 1 58 58 GLU CA C 13 56.5 0.1 . 1 . . . . 55 . . . 5335 1 604 . 1 1 58 58 GLU CB C 13 30.3 0.1 . 1 . . . . 55 . . . 5335 1 605 . 1 1 58 58 GLU CG C 13 36.4 0.1 . 1 . . . . 55 . . . 5335 1 606 . 1 1 58 58 GLU N N 15 122.6 0.1 . 1 . . . . 55 . . . 5335 1 607 . 1 1 59 59 SER H H 1 8.22 0.01 . 1 . . . . 56 . . . 5335 1 608 . 1 1 59 59 SER HA H 1 4.43 0.01 . 1 . . . . 56 . . . 5335 1 609 . 1 1 59 59 SER HB2 H 1 3.86 0.01 . 1 . . . . 56 . . . 5335 1 610 . 1 1 59 59 SER HB3 H 1 3.86 0.01 . 1 . . . . 56 . . . 5335 1 611 . 1 1 59 59 SER C C 13 174.4 0.1 . 1 . . . . 56 . . . 5335 1 612 . 1 1 59 59 SER CA C 13 58.2 0.1 . 1 . . . . 56 . . . 5335 1 613 . 1 1 59 59 SER CB C 13 63.9 0.1 . 1 . . . . 56 . . . 5335 1 614 . 1 1 59 59 SER N N 15 116.0 0.1 . 1 . . . . 56 . . . 5335 1 615 . 1 1 60 60 ASP H H 1 8.35 0.01 . 1 . . . . 57 . . . 5335 1 616 . 1 1 60 60 ASP HA H 1 4.60 0.01 . 1 . . . . 57 . . . 5335 1 617 . 1 1 60 60 ASP HB2 H 1 2.59 0.01 . 1 . . . . 57 . . . 5335 1 618 . 1 1 60 60 ASP HB3 H 1 2.59 0.01 . 1 . . . . 57 . . . 5335 1 619 . 1 1 60 60 ASP C C 13 175.9 0.1 . 1 . . . . 57 . . . 5335 1 620 . 1 1 60 60 ASP CA C 13 54.5 0.1 . 1 . . . . 57 . . . 5335 1 621 . 1 1 60 60 ASP CB C 13 41.1 0.1 . 1 . . . . 57 . . . 5335 1 622 . 1 1 60 60 ASP N N 15 122.7 0.1 . 1 . . . . 57 . . . 5335 1 623 . 1 1 61 61 ASP H H 1 8.21 0.01 . 1 . . . . 58 . . . 5335 1 624 . 1 1 61 61 ASP HA H 1 4.57 0.01 . 1 . . . . 58 . . . 5335 1 625 . 1 1 61 61 ASP HB2 H 1 2.61 0.01 . 1 . . . . 58 . . . 5335 1 626 . 1 1 61 61 ASP HB3 H 1 2.61 0.01 . 1 . . . . 58 . . . 5335 1 627 . 1 1 61 61 ASP C C 13 176.0 0.1 . 1 . . . . 58 . . . 5335 1 628 . 1 1 61 61 ASP CA C 13 54.2 0.1 . 1 . . . . 58 . . . 5335 1 629 . 1 1 61 61 ASP CB C 13 41.0 0.1 . 1 . . . . 58 . . . 5335 1 630 . 1 1 61 61 ASP N N 15 120.2 0.1 . 1 . . . . 58 . . . 5335 1 631 . 1 1 62 62 TRP H H 1 8.07 0.01 . 1 . . . . 59 . . . 5335 1 632 . 1 1 62 62 TRP HA H 1 4.67 0.01 . 1 . . . . 59 . . . 5335 1 633 . 1 1 62 62 TRP HB2 H 1 3.31 0.01 . 1 . . . . 59 . . . 5335 1 634 . 1 1 62 62 TRP HB3 H 1 3.31 0.01 . 1 . . . . 59 . . . 5335 1 635 . 1 1 62 62 TRP HD1 H 1 7.27 0.01 . 1 . . . . 59 . . . 5335 1 636 . 1 1 62 62 TRP HE1 H 1 10.14 0.01 . 1 . . . . 59 . . . 5335 1 637 . 1 1 62 62 TRP HE3 H 1 7.62 0.01 . 1 . . . . 59 . . . 5335 1 638 . 1 1 62 62 TRP HZ2 H 1 7.50 0.01 . 1 . . . . 59 . . . 5335 1 639 . 1 1 62 62 TRP HZ3 H 1 7.15 0.01 . 1 . . . . 59 . . . 5335 1 640 . 1 1 62 62 TRP HH2 H 1 7.24 0.01 . 1 . . . . 59 . . . 5335 1 641 . 1 1 62 62 TRP C C 13 176.2 0.1 . 1 . . . . 59 . . . 5335 1 642 . 1 1 62 62 TRP CA C 13 57.2 0.1 . 1 . . . . 59 . . . 5335 1 643 . 1 1 62 62 TRP CB C 13 29.5 0.1 . 1 . . . . 59 . . . 5335 1 644 . 1 1 62 62 TRP CD1 C 13 127.3 0.1 . 1 . . . . 59 . . . 5335 1 645 . 1 1 62 62 TRP CE3 C 13 121.0 0.1 . 1 . . . . 59 . . . 5335 1 646 . 1 1 62 62 TRP CZ2 C 13 114.7 0.1 . 1 . . . . 59 . . . 5335 1 647 . 1 1 62 62 TRP CZ3 C 13 122.0 0.1 . 1 . . . . 59 . . . 5335 1 648 . 1 1 62 62 TRP CH2 C 13 124.6 0.1 . 1 . . . . 59 . . . 5335 1 649 . 1 1 62 62 TRP N N 15 121.7 0.1 . 1 . . . . 59 . . . 5335 1 650 . 1 1 62 62 TRP NE1 N 15 129.5 0.1 . 1 . . . . 59 . . . 5335 1 651 . 1 1 63 63 SER H H 1 7.93 0.01 . 1 . . . . 60 . . . 5335 1 652 . 1 1 63 63 SER HA H 1 4.29 0.01 . 1 . . . . 60 . . . 5335 1 653 . 1 1 63 63 SER HB2 H 1 3.76 0.01 . 2 . . . . 60 . . . 5335 1 654 . 1 1 63 63 SER HB3 H 1 3.68 0.01 . 2 . . . . 60 . . . 5335 1 655 . 1 1 63 63 SER C C 13 173.9 0.1 . 1 . . . . 60 . . . 5335 1 656 . 1 1 63 63 SER CA C 13 58.2 0.1 . 1 . . . . 60 . . . 5335 1 657 . 1 1 63 63 SER CB C 13 63.9 0.1 . 1 . . . . 60 . . . 5335 1 658 . 1 1 63 63 SER N N 15 117.9 0.1 . 1 . . . . 60 . . . 5335 1 659 . 1 1 64 64 GLU H H 1 8.17 0.01 . 1 . . . . 61 . . . 5335 1 660 . 1 1 64 64 GLU HA H 1 4.22 0.01 . 1 . . . . 61 . . . 5335 1 661 . 1 1 64 64 GLU HB2 H 1 1.88 0.01 . 2 . . . . 61 . . . 5335 1 662 . 1 1 64 64 GLU HB3 H 1 2.04 0.01 . 2 . . . . 61 . . . 5335 1 663 . 1 1 64 64 GLU HG2 H 1 2.24 0.01 . 1 . . . . 61 . . . 5335 1 664 . 1 1 64 64 GLU HG3 H 1 2.24 0.01 . 1 . . . . 61 . . . 5335 1 665 . 1 1 64 64 GLU C C 13 176.1 0.1 . 1 . . . . 61 . . . 5335 1 666 . 1 1 64 64 GLU CA C 13 56.0 0.1 . 1 . . . . 61 . . . 5335 1 667 . 1 1 64 64 GLU CB C 13 30.4 0.1 . 1 . . . . 61 . . . 5335 1 668 . 1 1 64 64 GLU CG C 13 36.3 0.1 . 1 . . . . 61 . . . 5335 1 669 . 1 1 64 64 GLU N N 15 122.4 0.1 . 1 . . . . 61 . . . 5335 1 670 . 1 1 65 65 GLU H H 1 8.31 0.01 . 1 . . . . 62 . . . 5335 1 671 . 1 1 65 65 GLU HA H 1 4.52 0.01 . 1 . . . . 62 . . . 5335 1 672 . 1 1 65 65 GLU HB2 H 1 1.89 0.01 . 2 . . . . 62 . . . 5335 1 673 . 1 1 65 65 GLU HB3 H 1 2.03 0.01 . 2 . . . . 62 . . . 5335 1 674 . 1 1 65 65 GLU HG2 H 1 2.28 0.01 . 1 . . . . 62 . . . 5335 1 675 . 1 1 65 65 GLU HG3 H 1 2.28 0.01 . 1 . . . . 62 . . . 5335 1 676 . 1 1 65 65 GLU CA C 13 54.4 0.1 . 1 . . . . 62 . . . 5335 1 677 . 1 1 65 65 GLU CB C 13 29.8 0.1 . 1 . . . . 62 . . . 5335 1 678 . 1 1 65 65 GLU N N 15 123.4 0.1 . 1 . . . . 62 . . . 5335 1 679 . 1 1 66 66 PRO HA H 1 4.41 0.01 . 1 . . . . 63 . . . 5335 1 680 . 1 1 66 66 PRO HB2 H 1 2.28 0.01 . 2 . . . . 63 . . . 5335 1 681 . 1 1 66 66 PRO HB3 H 1 2.01 0.01 . 2 . . . . 63 . . . 5335 1 682 . 1 1 66 66 PRO HG2 H 1 1.88 0.01 . 1 . . . . 63 . . . 5335 1 683 . 1 1 66 66 PRO HG3 H 1 1.88 0.01 . 1 . . . . 63 . . . 5335 1 684 . 1 1 66 66 PRO C C 13 176.9 0.1 . 1 . . . . 63 . . . 5335 1 685 . 1 1 66 66 PRO CA C 13 63.3 0.1 . 1 . . . . 63 . . . 5335 1 686 . 1 1 66 66 PRO CB C 13 32.2 0.1 . 1 . . . . 63 . . . 5335 1 687 . 1 1 66 66 PRO CG C 13 27.6 0.1 . 1 . . . . 63 . . . 5335 1 688 . 1 1 66 66 PRO CD C 13 50.7 0.1 . 1 . . . . 63 . . . 5335 1 689 . 1 1 67 67 LYS H H 1 8.46 0.01 . 1 . . . . 64 . . . 5335 1 690 . 1 1 67 67 LYS HA H 1 4.31 0.01 . 1 . . . . 64 . . . 5335 1 691 . 1 1 67 67 LYS HB2 H 1 1.78 0.01 . 2 . . . . 64 . . . 5335 1 692 . 1 1 67 67 LYS HB3 H 1 1.87 0.01 . 2 . . . . 64 . . . 5335 1 693 . 1 1 67 67 LYS HG2 H 1 1.47 0.01 . 1 . . . . 64 . . . 5335 1 694 . 1 1 67 67 LYS HG3 H 1 1.47 0.01 . 1 . . . . 64 . . . 5335 1 695 . 1 1 67 67 LYS C C 13 176.3 0.1 . 1 . . . . 64 . . . 5335 1 696 . 1 1 67 67 LYS CA C 13 55.9 0.1 . 1 . . . . 64 . . . 5335 1 697 . 1 1 67 67 LYS CB C 13 32.8 0.1 . 1 . . . . 64 . . . 5335 1 698 . 1 1 67 67 LYS N N 15 122.2 0.1 . 1 . . . . 64 . . . 5335 1 699 . 1 1 68 68 GLN H H 1 8.51 0.01 . 1 . . . . 65 . . . 5335 1 700 . 1 1 68 68 GLN CA C 13 55.9 0.1 . 1 . . . . 65 . . . 5335 1 701 . 1 1 68 68 GLN CB C 13 29.5 0.1 . 1 . . . . 65 . . . 5335 1 702 . 1 1 68 68 GLN N N 15 122.1 0.1 . 1 . . . . 65 . . . 5335 1 stop_ save_