data_7071 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7071 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR assignment of Kis antitoxin' 'Structure analysis' ; The data from the entries that make up this study were used to determine the secondary structure of the bacterial antitoxin Kis. ; 7071 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Kis antitoxin' 7071 1 . 'NMR assignment' 7071 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 7071 'Assigned chemical shift entry' '13C 15N and 1H backbone and beta chemical shift assignments' 7071 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7071 _Entry.Title ; Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Antitoxin Kis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-13 _Entry.Accession_date 2006-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Antitoxin Kis' _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 Monique Kamphuis . B. . 7071 2 Rolf Boelens . . . 7071 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'NMR Spectroscopy, Department of Chemistry, Utrecht University' . 7071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 241 7071 '15N chemical shifts' 80 7071 '1H chemical shifts' 310 7071 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 . . 2008-07-07 2006-04-13 update BMRB 'complete entry citation' 7071 1 . . 2007-04-11 2006-04-13 original author 'original release' 7071 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6925 'entry containing NMR chemical shift data of Kid toxin that forms toxin-antitoxin system with Kis antitoxin' 7071 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7071 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17206710 _Citation.Full_citation . _Citation.Title ; Interactions between the toxin kid of the bacterial parD system and the antitoxins Kis and MazE ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 67 _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 219 _Citation.Page_last 231 _Citation.Year 2007 _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 Monique Kamphuis . B. . 7071 1 2 M. Monti . C. . 7071 1 3 R. 'van den Heuvel' . H. . 7071 1 4 S. Santos-Sierra . . . 7071 1 5 G. Folkers . E. . 7071 1 6 M. Lemonnier . . . 7071 1 7 R. Diaz-Orejas . . . 7071 1 8 A. Heck . J. . 7071 1 9 Rolf Boelens . . . 7071 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'native macromolecular mass spectrometry' 7071 1 'NMR spectroscopy' 7071 1 oligomerisation 7071 1 'plasmid maintenance' 7071 1 'protein-protein interactions' 7071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7071 _Assembly.ID 1 _Assembly.Name 'Kis antitoxin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _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 protein 7071 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 'Kis antitoxin' 1 $Kis_antitoxin . . yes native no no . . . 7071 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID . BMRB 7071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Kis_antitoxin _Entity.Sf_category entity _Entity.Sf_framecode Kis_antitoxin _Entity.Entry_ID 7071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Kis antitoxin' _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 ; GSMHTTRLKRVGGSVMLTVP PALLNALSLGTDNEVGMVID NGRLIVEPYRRPQYSLAELL AQCDPNAEISAEEREWLDAP ATGQEEI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA78897 . "plasmid stable inheritance protein [Shigella flexneri 2b]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 2 no DBJ BAL45865 . "stable plasmid inheritance protein I [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 3 no DBJ BAL48675 . "stable inheritance regulatory protein PemI [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 4 no DBJ BAN28645 . "stable plasmid inheritance protein I [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 5 no DBJ BAP10672 . "putative programmed cell death antitoxin PemI [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 82.76 72 100.00 100.00 2.39e-43 . . . . 7071 1 6 no EMBL CAA29584 . "unnamed protein product [Plasmid R1]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 7 no EMBL CAH64730 . "plasmid stable inheritance protein [uncultured bacterium]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 8 no EMBL CAP07762 . "PemI [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 9 no EMBL CAQ87432 . "Plasmid stable inheritance repressor protein [Escherichia coli UMN026]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 10 no EMBL CBG91767 . "stable plasmid inheritance protein [Citrobacter rodentium ICC168]" . . . . . 97.70 85 97.65 100.00 8.31e-53 . . . . 7071 1 11 no GB AAA26069 . "ORF2 [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 12 no GB AAO49557 . "PemI [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 13 no GB AAQ97876 . "PemI [Erwinia amylovora]" . . . . . 97.70 85 97.65 100.00 8.31e-53 . . . . 7071 1 14 no GB AAR05735 . "PemI [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 15 no GB AAR25127 . "PemI [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 16 no REF NP_052993 . "plasmid stable inheritance protein [Shigella flexneri 2b]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 17 no REF NP_862962 . "hypothetical protein p165897_050 [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 18 no REF NP_943201 . "stable inheritance protein [Erwinia amylovora]" . . . . . 97.70 85 97.65 100.00 8.31e-53 . . . . 7071 1 19 no REF NP_957646 . "hypothetical protein pC15-1a_101 [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 20 no REF WP_000557618 . "MULTISPECIES: antitoxin [Enterobacteriaceae]" . . . . . 97.70 85 97.65 100.00 8.31e-53 . . . . 7071 1 21 no SP P13975 . "RecName: Full=Antitoxin PemI [Escherichia coli]" . . . . . 97.70 85 100.00 100.00 6.86e-54 . . . . 7071 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNase . 7071 1 toxin . 7071 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID RNase 7071 1 toxin 7071 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 . GLY . 7071 1 2 . SER . 7071 1 3 . MET . 7071 1 4 . HIS . 7071 1 5 . THR . 7071 1 6 . THR . 7071 1 7 . ARG . 7071 1 8 . LEU . 7071 1 9 . LYS . 7071 1 10 . ARG . 7071 1 11 . VAL . 7071 1 12 . GLY . 7071 1 13 . GLY . 7071 1 14 . SER . 7071 1 15 . VAL . 7071 1 16 . MET . 7071 1 17 . LEU . 7071 1 18 . THR . 7071 1 19 . VAL . 7071 1 20 . PRO . 7071 1 21 . PRO . 7071 1 22 . ALA . 7071 1 23 . LEU . 7071 1 24 . LEU . 7071 1 25 . ASN . 7071 1 26 . ALA . 7071 1 27 . LEU . 7071 1 28 . SER . 7071 1 29 . LEU . 7071 1 30 . GLY . 7071 1 31 . THR . 7071 1 32 . ASP . 7071 1 33 . ASN . 7071 1 34 . GLU . 7071 1 35 . VAL . 7071 1 36 . GLY . 7071 1 37 . MET . 7071 1 38 . VAL . 7071 1 39 . ILE . 7071 1 40 . ASP . 7071 1 41 . ASN . 7071 1 42 . GLY . 7071 1 43 . ARG . 7071 1 44 . LEU . 7071 1 45 . ILE . 7071 1 46 . VAL . 7071 1 47 . GLU . 7071 1 48 . PRO . 7071 1 49 . TYR . 7071 1 50 . ARG . 7071 1 51 . ARG . 7071 1 52 . PRO . 7071 1 53 . GLN . 7071 1 54 . TYR . 7071 1 55 . SER . 7071 1 56 . LEU . 7071 1 57 . ALA . 7071 1 58 . GLU . 7071 1 59 . LEU . 7071 1 60 . LEU . 7071 1 61 . ALA . 7071 1 62 . GLN . 7071 1 63 . CYS . 7071 1 64 . ASP . 7071 1 65 . PRO . 7071 1 66 . ASN . 7071 1 67 . ALA . 7071 1 68 . GLU . 7071 1 69 . ILE . 7071 1 70 . SER . 7071 1 71 . ALA . 7071 1 72 . GLU . 7071 1 73 . GLU . 7071 1 74 . ARG . 7071 1 75 . GLU . 7071 1 76 . TRP . 7071 1 77 . LEU . 7071 1 78 . ASP . 7071 1 79 . ALA . 7071 1 80 . PRO . 7071 1 81 . ALA . 7071 1 82 . THR . 7071 1 83 . GLY . 7071 1 84 . GLN . 7071 1 85 . GLU . 7071 1 86 . GLU . 7071 1 87 . ILE . 7071 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 7071 1 . SER 2 2 7071 1 . MET 3 3 7071 1 . HIS 4 4 7071 1 . THR 5 5 7071 1 . THR 6 6 7071 1 . ARG 7 7 7071 1 . LEU 8 8 7071 1 . LYS 9 9 7071 1 . ARG 10 10 7071 1 . VAL 11 11 7071 1 . GLY 12 12 7071 1 . GLY 13 13 7071 1 . SER 14 14 7071 1 . VAL 15 15 7071 1 . MET 16 16 7071 1 . LEU 17 17 7071 1 . THR 18 18 7071 1 . VAL 19 19 7071 1 . PRO 20 20 7071 1 . PRO 21 21 7071 1 . ALA 22 22 7071 1 . LEU 23 23 7071 1 . LEU 24 24 7071 1 . ASN 25 25 7071 1 . ALA 26 26 7071 1 . LEU 27 27 7071 1 . SER 28 28 7071 1 . LEU 29 29 7071 1 . GLY 30 30 7071 1 . THR 31 31 7071 1 . ASP 32 32 7071 1 . ASN 33 33 7071 1 . GLU 34 34 7071 1 . VAL 35 35 7071 1 . GLY 36 36 7071 1 . MET 37 37 7071 1 . VAL 38 38 7071 1 . ILE 39 39 7071 1 . ASP 40 40 7071 1 . ASN 41 41 7071 1 . GLY 42 42 7071 1 . ARG 43 43 7071 1 . LEU 44 44 7071 1 . ILE 45 45 7071 1 . VAL 46 46 7071 1 . GLU 47 47 7071 1 . PRO 48 48 7071 1 . TYR 49 49 7071 1 . ARG 50 50 7071 1 . ARG 51 51 7071 1 . PRO 52 52 7071 1 . GLN 53 53 7071 1 . TYR 54 54 7071 1 . SER 55 55 7071 1 . LEU 56 56 7071 1 . ALA 57 57 7071 1 . GLU 58 58 7071 1 . LEU 59 59 7071 1 . LEU 60 60 7071 1 . ALA 61 61 7071 1 . GLN 62 62 7071 1 . CYS 63 63 7071 1 . ASP 64 64 7071 1 . PRO 65 65 7071 1 . ASN 66 66 7071 1 . ALA 67 67 7071 1 . GLU 68 68 7071 1 . ILE 69 69 7071 1 . SER 70 70 7071 1 . ALA 71 71 7071 1 . GLU 72 72 7071 1 . GLU 73 73 7071 1 . ARG 74 74 7071 1 . GLU 75 75 7071 1 . TRP 76 76 7071 1 . LEU 77 77 7071 1 . ASP 78 78 7071 1 . ALA 79 79 7071 1 . PRO 80 80 7071 1 . ALA 81 81 7071 1 . THR 82 82 7071 1 . GLY 83 83 7071 1 . GLN 84 84 7071 1 . GLU 85 85 7071 1 . GLU 86 86 7071 1 . ILE 87 87 7071 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7071 _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 $Kis_antitoxin . 562 . no . 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . ParD . . . . . . 7071 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 7071 _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 $Kis_antitoxin . 'recombinant technology' . bacteria . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7071 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7071 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM PO4 (K) pH 5.8 ; _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 'Kis antitoxin' '[U-13C; U-15N]' . . 1 $Kis_antitoxin . . 0.4 . . mM . . . . 7071 1 2 'PO4 (K)' . . . . . . . 100 . . mM . . . . 7071 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7071 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 100 mM PO4 (K) pH 5.8 303 K ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 0.01 pH 7071 1 temperature 303 0.1 K 7071 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7071 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 7071 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 6 '3D CBA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 8 '3D HA(CA)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 9 '3D HBA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7071 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-13C_HSQC _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CO)CA _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBA(CO)NH _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HA(CA)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HA(CA)NH _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HA(CA)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HBA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBA(CO)NH _NMR_spec_expt.Entry_ID 7071 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 7071 _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 . . . . . . . . . 7071 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7071 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7071 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 7071 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7071 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 3.978 0.005 . 1 . . . . 1 GLY HA1 . 7071 1 2 . 1 1 1 1 GLY HA3 H 1 3.978 0.005 . 1 . . . . 1 GLY HA2 . 7071 1 3 . 1 1 1 1 GLY CA C 13 45.261 0.02 . 1 . . . . 1 GLY CA . 7071 1 4 . 1 1 2 2 SER H H 1 8.203 0.005 . 1 . . . . 2 SER HN . 7071 1 5 . 1 1 2 2 SER HA H 1 4.501 0.005 . 1 . . . . 2 SER HA . 7071 1 6 . 1 1 2 2 SER HB2 H 1 3.835 0.005 . 1 . . . . 2 SER HB1 . 7071 1 7 . 1 1 2 2 SER HB3 H 1 3.835 0.005 . 1 . . . . 2 SER HB2 . 7071 1 8 . 1 1 2 2 SER CA C 13 58.362 0.02 . 1 . . . . 2 SER CA . 7071 1 9 . 1 1 2 2 SER CB C 13 64.010 0.02 . 1 . . . . 2 SER CB . 7071 1 10 . 1 1 2 2 SER N N 15 115.763 0.02 . 1 . . . . 2 SER N . 7071 1 11 . 1 1 3 3 MET H H 1 8.330 0.005 . 1 . . . . 3 MET HN . 7071 1 12 . 1 1 3 3 MET HA H 1 4.655 0.005 . 1 . . . . 3 MET HA . 7071 1 13 . 1 1 3 3 MET HB2 H 1 1.936 0.005 . 1 . . . . 3 MET HB1 . 7071 1 14 . 1 1 3 3 MET HB3 H 1 1.936 0.005 . 1 . . . . 3 MET HB2 . 7071 1 15 . 1 1 3 3 MET C C 13 173.795 0.02 . 1 . . . . 3 MET C . 7071 1 16 . 1 1 3 3 MET CA C 13 55.519 0.02 . 1 . . . . 3 MET CA . 7071 1 17 . 1 1 3 3 MET CB C 13 33.998 0.02 . 1 . . . . 3 MET CB . 7071 1 18 . 1 1 3 3 MET N N 15 122.121 0.02 . 1 . . . . 3 MET N . 7071 1 19 . 1 1 4 4 HIS H H 1 8.687 0.005 . 1 . . . . 4 HIS HN . 7071 1 20 . 1 1 4 4 HIS HA H 1 4.764 0.005 . 1 . . . . 4 HIS HA . 7071 1 21 . 1 1 4 4 HIS HB2 H 1 3.015 0.005 . 2 . . . . 4 HIS HB1 . 7071 1 22 . 1 1 4 4 HIS HB3 H 1 3.124 0.005 . 2 . . . . 4 HIS HB2 . 7071 1 23 . 1 1 4 4 HIS C C 13 175.608 0.02 . 1 . . . . 4 HIS C . 7071 1 24 . 1 1 4 4 HIS CA C 13 55.791 0.02 . 1 . . . . 4 HIS CA . 7071 1 25 . 1 1 4 4 HIS CB C 13 31.848 0.02 . 1 . . . . 4 HIS CB . 7071 1 26 . 1 1 4 4 HIS N N 15 123.668 0.02 . 1 . . . . 4 HIS N . 7071 1 27 . 1 1 5 5 THR H H 1 8.381 0.005 . 1 . . . . 5 THR HN . 7071 1 28 . 1 1 5 5 THR HA H 1 5.474 0.005 . 1 . . . . 5 THR HA . 7071 1 29 . 1 1 5 5 THR HB H 1 3.945 0.005 . 1 . . . . 5 THR HB . 7071 1 30 . 1 1 5 5 THR C C 13 174.575 0.02 . 1 . . . . 5 THR C . 7071 1 31 . 1 1 5 5 THR CA C 13 59.913 0.02 . 1 . . . . 5 THR CA . 7071 1 32 . 1 1 5 5 THR CB C 13 71.277 0.02 . 1 . . . . 5 THR CB . 7071 1 33 . 1 1 5 5 THR N N 15 115.099 0.02 . 1 . . . . 5 THR N . 7071 1 34 . 1 1 6 6 THR H H 1 8.640 0.005 . 1 . . . . 6 THR HN . 7071 1 35 . 1 1 6 6 THR C C 13 174.311 0.02 . 1 . . . . 6 THR C . 7071 1 36 . 1 1 6 6 THR CA C 13 60.693 0.02 . 1 . . . . 6 THR CA . 7071 1 37 . 1 1 6 6 THR CB C 13 69.320 0.02 . 1 . . . . 6 THR CB . 7071 1 38 . 1 1 6 6 THR N N 15 116.125 0.02 . 1 . . . . 6 THR N . 7071 1 39 . 1 1 7 7 ARG H H 1 8.074 0.005 . 1 . . . . 7 ARG HN . 7071 1 40 . 1 1 7 7 ARG HA H 1 5.146 0.005 . 1 . . . . 7 ARG HA . 7071 1 41 . 1 1 7 7 ARG HB2 H 1 1.695 0.005 . 2 . . . . 7 ARG HB1 . 7071 1 42 . 1 1 7 7 ARG HB3 H 1 1.633 0.005 . 2 . . . . 7 ARG HB2 . 7071 1 43 . 1 1 7 7 ARG C C 13 171.460 0.02 . 1 . . . . 7 ARG C . 7071 1 44 . 1 1 7 7 ARG CA C 13 54.102 0.02 . 1 . . . . 7 ARG CA . 7071 1 45 . 1 1 7 7 ARG CB C 13 32.733 0.02 . 1 . . . . 7 ARG CB . 7071 1 46 . 1 1 7 7 ARG N N 15 120.743 0.02 . 1 . . . . 7 ARG N . 7071 1 47 . 1 1 8 8 LEU H H 1 8.345 0.005 . 1 . . . . 8 LEU HN . 7071 1 48 . 1 1 8 8 LEU HA H 1 4.295 0.005 . 1 . . . . 8 LEU HA . 7071 1 49 . 1 1 8 8 LEU HB2 H 1 1.707 0.005 . 2 . . . . 8 LEU HB1 . 7071 1 50 . 1 1 8 8 LEU HB3 H 1 1.183 0.005 . 2 . . . . 8 LEU HB2 . 7071 1 51 . 1 1 8 8 LEU C C 13 177.038 0.02 . 1 . . . . 8 LEU C . 7071 1 52 . 1 1 8 8 LEU CA C 13 55.762 0.02 . 1 . . . . 8 LEU CA . 7071 1 53 . 1 1 8 8 LEU CB C 13 41.655 0.02 . 1 . . . . 8 LEU CB . 7071 1 54 . 1 1 8 8 LEU N N 15 123.928 0.02 . 1 . . . . 8 LEU N . 7071 1 55 . 1 1 9 9 LYS H H 1 8.555 0.005 . 1 . . . . 9 LYS HN . 7071 1 56 . 1 1 9 9 LYS HA H 1 4.677 0.005 . 1 . . . . 9 LYS HA . 7071 1 57 . 1 1 9 9 LYS HB2 H 1 1.650 0.005 . 2 . . . . 9 LYS HB1 . 7071 1 58 . 1 1 9 9 LYS HB3 H 1 1.531 0.005 . 2 . . . . 9 LYS HB2 . 7071 1 59 . 1 1 9 9 LYS C C 13 175.990 0.02 . 1 . . . . 9 LYS C . 7071 1 60 . 1 1 9 9 LYS CA C 13 54.693 0.02 . 1 . . . . 9 LYS CA . 7071 1 61 . 1 1 9 9 LYS CB C 13 36.260 0.02 . 1 . . . . 9 LYS CB . 7071 1 62 . 1 1 9 9 LYS N N 15 121.211 0.02 . 1 . . . . 9 LYS N . 7071 1 63 . 1 1 10 10 ARG H H 1 8.683 0.005 . 1 . . . . 10 ARG HN . 7071 1 64 . 1 1 10 10 ARG HA H 1 4.884 0.005 . 1 . . . . 10 ARG HA . 7071 1 65 . 1 1 10 10 ARG HB2 H 1 1.775 0.005 . 2 . . . . 10 ARG HB1 . 7071 1 66 . 1 1 10 10 ARG HB3 H 1 1.634 0.005 . 2 . . . . 10 ARG HB2 . 7071 1 67 . 1 1 10 10 ARG C C 13 174.688 0.02 . 1 . . . . 10 ARG C . 7071 1 68 . 1 1 10 10 ARG CA C 13 55.609 0.02 . 1 . . . . 10 ARG CA . 7071 1 69 . 1 1 10 10 ARG CB C 13 30.349 0.02 . 1 . . . . 10 ARG CB . 7071 1 70 . 1 1 10 10 ARG N N 15 124.391 0.02 . 1 . . . . 10 ARG N . 7071 1 71 . 1 1 11 11 VAL H H 1 8.670 0.005 . 1 . . . . 11 VAL HN . 7071 1 72 . 1 1 11 11 VAL HA H 1 4.134 0.005 . 1 . . . . 11 VAL HA . 7071 1 73 . 1 1 11 11 VAL HB H 1 1.860 0.005 . 1 . . . . 11 VAL HB . 7071 1 74 . 1 1 11 11 VAL C C 13 175.877 0.02 . 1 . . . . 11 VAL C . 7071 1 75 . 1 1 11 11 VAL CA C 13 61.708 0.02 . 1 . . . . 11 VAL CA . 7071 1 76 . 1 1 11 11 VAL CB C 13 33.852 0.02 . 1 . . . . 11 VAL CB . 7071 1 77 . 1 1 11 11 VAL N N 15 128.539 0.02 . 1 . . . . 11 VAL N . 7071 1 78 . 1 1 12 12 GLY H H 1 9.053 0.005 . 1 . . . . 12 GLY HN . 7071 1 79 . 1 1 12 12 GLY HA2 H 1 3.732 0.005 . 2 . . . . 12 GLY HA1 . 7071 1 80 . 1 1 12 12 GLY HA3 H 1 3.891 0.005 . 2 . . . . 12 GLY HA2 . 7071 1 81 . 1 1 12 12 GLY C C 13 176.575 0.02 . 1 . . . . 12 GLY C . 7071 1 82 . 1 1 12 12 GLY CA C 13 47.146 0.02 . 1 . . . . 12 GLY CA . 7071 1 83 . 1 1 12 12 GLY N N 15 118.130 0.02 . 1 . . . . 12 GLY N . 7071 1 84 . 1 1 13 13 GLY H H 1 8.654 0.005 . 1 . . . . 13 GLY HN . 7071 1 85 . 1 1 13 13 GLY HA2 H 1 3.956 0.005 . 1 . . . . 13 GLY HA1 . 7071 1 86 . 1 1 13 13 GLY HA3 H 1 3.956 0.005 . 1 . . . . 13 GLY HA2 . 7071 1 87 . 1 1 13 13 GLY C C 13 175.273 0.02 . 1 . . . . 13 GLY C . 7071 1 88 . 1 1 13 13 GLY CA C 13 45.439 0.02 . 1 . . . . 13 GLY CA . 7071 1 89 . 1 1 13 13 GLY N N 15 111.660 0.02 . 1 . . . . 13 GLY N . 7071 1 90 . 1 1 14 14 SER H H 1 7.822 0.005 . 1 . . . . 14 SER HN . 7071 1 91 . 1 1 14 14 SER HA H 1 4.701 0.005 . 1 . . . . 14 SER HA . 7071 1 92 . 1 1 14 14 SER HB2 H 1 3.749 0.005 . 1 . . . . 14 SER HB1 . 7071 1 93 . 1 1 14 14 SER HB3 H 1 3.749 0.005 . 1 . . . . 14 SER HB2 . 7071 1 94 . 1 1 14 14 SER C C 13 174.311 0.02 . 1 . . . . 14 SER C . 7071 1 95 . 1 1 14 14 SER CA C 13 57.820 0.02 . 1 . . . . 14 SER CA . 7071 1 96 . 1 1 14 14 SER CB C 13 66.178 0.02 . 1 . . . . 14 SER CB . 7071 1 97 . 1 1 14 14 SER N N 15 116.725 0.02 . 1 . . . . 14 SER N . 7071 1 98 . 1 1 15 15 VAL H H 1 8.871 0.005 . 1 . . . . 15 VAL HN . 7071 1 99 . 1 1 15 15 VAL HA H 1 4.459 0.005 . 1 . . . . 15 VAL HA . 7071 1 100 . 1 1 15 15 VAL HB H 1 1.925 0.005 . 1 . . . . 15 VAL HB . 7071 1 101 . 1 1 15 15 VAL C C 13 171.538 0.02 . 1 . . . . 15 VAL C . 7071 1 102 . 1 1 15 15 VAL CA C 13 62.598 0.02 . 1 . . . . 15 VAL CA . 7071 1 103 . 1 1 15 15 VAL CB C 13 32.022 0.02 . 1 . . . . 15 VAL CB . 7071 1 104 . 1 1 15 15 VAL N N 15 124.913 0.02 . 1 . . . . 15 VAL N . 7071 1 105 . 1 1 16 16 MET H H 1 9.105 0.005 . 1 . . . . 16 MET HN . 7071 1 106 . 1 1 16 16 MET HA H 1 5.430 0.005 . 1 . . . . 16 MET HA . 7071 1 107 . 1 1 16 16 MET HB2 H 1 1.772 0.005 . 1 . . . . 16 MET HB1 . 7071 1 108 . 1 1 16 16 MET HB3 H 1 1.772 0.005 . 1 . . . . 16 MET HB2 . 7071 1 109 . 1 1 16 16 MET C C 13 174.462 0.02 . 1 . . . . 16 MET C . 7071 1 110 . 1 1 16 16 MET CA C 13 53.673 0.02 . 1 . . . . 16 MET CA . 7071 1 111 . 1 1 16 16 MET CB C 13 37.936 0.02 . 1 . . . . 16 MET CB . 7071 1 112 . 1 1 16 16 MET N N 15 122.790 0.02 . 1 . . . . 16 MET N . 7071 1 113 . 1 1 17 17 LEU H H 1 8.914 0.005 . 1 . . . . 17 LEU HN . 7071 1 114 . 1 1 17 17 LEU HA H 1 4.611 0.005 . 1 . . . . 17 LEU HA . 7071 1 115 . 1 1 17 17 LEU HB2 H 1 1.576 0.005 . 2 . . . . 17 LEU HB1 . 7071 1 116 . 1 1 17 17 LEU HB3 H 1 1.139 0.005 . 2 . . . . 17 LEU HB2 . 7071 1 117 . 1 1 17 17 LEU C C 13 174.764 0.02 . 1 . . . . 17 LEU C . 7071 1 118 . 1 1 17 17 LEU CA C 13 53.257 0.02 . 1 . . . . 17 LEU CA . 7071 1 119 . 1 1 17 17 LEU CB C 13 45.546 0.02 . 1 . . . . 17 LEU CB . 7071 1 120 . 1 1 17 17 LEU N N 15 121.162 0.02 . 1 . . . . 17 LEU N . 7071 1 121 . 1 1 18 18 THR H H 1 8.515 0.005 . 1 . . . . 18 THR HN . 7071 1 122 . 1 1 18 18 THR HA H 1 4.524 0.005 . 1 . . . . 18 THR HA . 7071 1 123 . 1 1 18 18 THR HB H 1 3.989 0.005 . 1 . . . . 18 THR HB . 7071 1 124 . 1 1 18 18 THR C C 13 175.236 0.02 . 1 . . . . 18 THR C . 7071 1 125 . 1 1 18 18 THR CA C 13 63.090 0.02 . 1 . . . . 18 THR CA . 7071 1 126 . 1 1 18 18 THR CB C 13 69.161 0.02 . 1 . . . . 18 THR CB . 7071 1 127 . 1 1 18 18 THR N N 15 123.497 0.02 . 1 . . . . 18 THR N . 7071 1 128 . 1 1 19 19 VAL H H 1 8.492 0.005 . 1 . . . . 19 VAL HN . 7071 1 129 . 1 1 19 19 VAL HA H 1 4.242 0.005 . 1 . . . . 19 VAL HA . 7071 1 130 . 1 1 19 19 VAL HB H 1 1.940 0.005 . 1 . . . . 19 VAL HB . 7071 1 131 . 1 1 19 19 VAL C C 13 173.613 0.02 . 1 . . . . 19 VAL C . 7071 1 132 . 1 1 19 19 VAL CA C 13 59.173 0.02 . 1 . . . . 19 VAL CA . 7071 1 133 . 1 1 19 19 VAL CB C 13 32.565 0.02 . 1 . . . . 19 VAL CB . 7071 1 134 . 1 1 19 19 VAL N N 15 128.115 0.02 . 1 . . . . 19 VAL N . 7071 1 135 . 1 1 21 21 PRO HA H 1 4.120 0.005 . 1 . . . . 21 PRO HA . 7071 1 136 . 1 1 21 21 PRO HB2 H 1 2.373 0.005 . 1 . . . . 21 PRO HB1 . 7071 1 137 . 1 1 21 21 PRO HB3 H 1 2.373 0.005 . 1 . . . . 21 PRO HB2 . 7071 1 138 . 1 1 21 21 PRO CA C 13 65.656 0.02 . 1 . . . . 21 PRO CA . 7071 1 139 . 1 1 21 21 PRO CB C 13 31.840 0.02 . 1 . . . . 21 PRO CB . 7071 1 140 . 1 1 22 22 ALA H H 1 8.638 0.005 . 1 . . . . 22 ALA HN . 7071 1 141 . 1 1 22 22 ALA HA H 1 4.109 0.005 . 1 . . . . 22 ALA HA . 7071 1 142 . 1 1 22 22 ALA HB1 H 1 1.346 0.005 . 1 . . . . 22 ALA HB . 7071 1 143 . 1 1 22 22 ALA HB2 H 1 1.346 0.005 . 1 . . . . 22 ALA HB . 7071 1 144 . 1 1 22 22 ALA HB3 H 1 1.346 0.005 . 1 . . . . 22 ALA HB . 7071 1 145 . 1 1 22 22 ALA C C 13 177.782 0.02 . 1 . . . . 22 ALA C . 7071 1 146 . 1 1 22 22 ALA CA C 13 55.291 0.02 . 1 . . . . 22 ALA CA . 7071 1 147 . 1 1 22 22 ALA CB C 13 18.740 0.02 . 1 . . . . 22 ALA CB . 7071 1 148 . 1 1 22 22 ALA N N 15 117.037 0.02 . 1 . . . . 22 ALA N . 7071 1 149 . 1 1 23 23 LEU H H 1 7.145 0.005 . 1 . . . . 23 LEU HN . 7071 1 150 . 1 1 23 23 LEU HA H 1 4.147 0.005 . 1 . . . . 23 LEU HA . 7071 1 151 . 1 1 23 23 LEU HB2 H 1 1.528 0.005 . 2 . . . . 23 LEU HB1 . 7071 1 152 . 1 1 23 23 LEU HB3 H 1 1.170 0.005 . 2 . . . . 23 LEU HB2 . 7071 1 153 . 1 1 23 23 LEU C C 13 180.762 0.02 . 1 . . . . 23 LEU C . 7071 1 154 . 1 1 23 23 LEU CA C 13 56.681 0.02 . 1 . . . . 23 LEU CA . 7071 1 155 . 1 1 23 23 LEU CB C 13 40.601 0.02 . 1 . . . . 23 LEU CB . 7071 1 156 . 1 1 23 23 LEU N N 15 115.252 0.02 . 1 . . . . 23 LEU N . 7071 1 157 . 1 1 24 24 LEU H H 1 7.505 0.005 . 1 . . . . 24 LEU HN . 7071 1 158 . 1 1 24 24 LEU HA H 1 3.697 0.005 . 1 . . . . 24 LEU HA . 7071 1 159 . 1 1 24 24 LEU HB2 H 1 1.635 0.005 . 1 . . . . 24 LEU HB1 . 7071 1 160 . 1 1 24 24 LEU HB3 H 1 1.635 0.005 . 1 . . . . 24 LEU HB2 . 7071 1 161 . 1 1 24 24 LEU C C 13 177.707 0.02 . 1 . . . . 24 LEU C . 7071 1 162 . 1 1 24 24 LEU CA C 13 58.228 0.02 . 1 . . . . 24 LEU CA . 7071 1 163 . 1 1 24 24 LEU CB C 13 41.141 0.02 . 1 . . . . 24 LEU CB . 7071 1 164 . 1 1 24 24 LEU N N 15 118.706 0.02 . 1 . . . . 24 LEU N . 7071 1 165 . 1 1 25 25 ASN H H 1 8.310 0.005 . 1 . . . . 25 ASN HN . 7071 1 166 . 1 1 25 25 ASN HA H 1 4.452 0.005 . 1 . . . . 25 ASN HA . 7071 1 167 . 1 1 25 25 ASN HB2 H 1 2.760 0.005 . 1 . . . . 25 ASN HB1 . 7071 1 168 . 1 1 25 25 ASN HB3 H 1 2.760 0.005 . 1 . . . . 25 ASN HB2 . 7071 1 169 . 1 1 25 25 ASN C C 13 179.744 0.02 . 1 . . . . 25 ASN C . 7071 1 170 . 1 1 25 25 ASN CA C 13 55.790 0.02 . 1 . . . . 25 ASN CA . 7071 1 171 . 1 1 25 25 ASN CB C 13 38.154 0.02 . 1 . . . . 25 ASN CB . 7071 1 172 . 1 1 25 25 ASN N N 15 115.067 0.02 . 1 . . . . 25 ASN N . 7071 1 173 . 1 1 26 26 ALA H H 1 7.309 0.005 . 1 . . . . 26 ALA HN . 7071 1 174 . 1 1 26 26 ALA HA H 1 4.201 0.005 . 1 . . . . 26 ALA HA . 7071 1 175 . 1 1 26 26 ALA HB1 H 1 1.493 0.005 . 1 . . . . 26 ALA HB . 7071 1 176 . 1 1 26 26 ALA HB2 H 1 1.493 0.005 . 1 . . . . 26 ALA HB . 7071 1 177 . 1 1 26 26 ALA HB3 H 1 1.493 0.005 . 1 . . . . 26 ALA HB . 7071 1 178 . 1 1 26 26 ALA C C 13 177.858 0.02 . 1 . . . . 26 ALA C . 7071 1 179 . 1 1 26 26 ALA CA C 13 54.155 0.02 . 1 . . . . 26 ALA CA . 7071 1 180 . 1 1 26 26 ALA CB C 13 18.996 0.02 . 1 . . . . 26 ALA CB . 7071 1 181 . 1 1 26 26 ALA N N 15 121.513 0.02 . 1 . . . . 26 ALA N . 7071 1 182 . 1 1 27 27 LEU H H 1 7.269 0.005 . 1 . . . . 27 LEU HN . 7071 1 183 . 1 1 27 27 LEU HA H 1 4.321 0.005 . 1 . . . . 27 LEU HA . 7071 1 184 . 1 1 27 27 LEU HB2 H 1 1.439 0.005 . 2 . . . . 27 LEU HB1 . 7071 1 185 . 1 1 27 27 LEU HB3 H 1 1.646 0.005 . 2 . . . . 27 LEU HB2 . 7071 1 186 . 1 1 27 27 LEU C C 13 178.555 0.02 . 1 . . . . 27 LEU C . 7071 1 187 . 1 1 27 27 LEU CA C 13 54.150 0.02 . 1 . . . . 27 LEU CA . 7071 1 188 . 1 1 27 27 LEU CB C 13 43.436 0.02 . 1 . . . . 27 LEU CB . 7071 1 189 . 1 1 27 27 LEU N N 15 116.432 0.02 . 1 . . . . 27 LEU N . 7071 1 190 . 1 1 28 28 SER H H 1 7.876 0.005 . 1 . . . . 28 SER HN . 7071 1 191 . 1 1 28 28 SER HA H 1 4.115 0.005 . 1 . . . . 28 SER HA . 7071 1 192 . 1 1 28 28 SER HB2 H 1 3.885 0.005 . 1 . . . . 28 SER HB1 . 7071 1 193 . 1 1 28 28 SER HB3 H 1 3.885 0.005 . 1 . . . . 28 SER HB2 . 7071 1 194 . 1 1 28 28 SER C C 13 175.745 0.02 . 1 . . . . 28 SER C . 7071 1 195 . 1 1 28 28 SER CA C 13 58.309 0.02 . 1 . . . . 28 SER CA . 7071 1 196 . 1 1 28 28 SER CB C 13 61.892 0.02 . 1 . . . . 28 SER CB . 7071 1 197 . 1 1 28 28 SER N N 15 114.345 0.02 . 1 . . . . 28 SER N . 7071 1 198 . 1 1 29 29 LEU H H 1 8.030 0.005 . 1 . . . . 29 LEU HN . 7071 1 199 . 1 1 29 29 LEU HA H 1 4.474 0.005 . 1 . . . . 29 LEU HA . 7071 1 200 . 1 1 29 29 LEU HB2 H 1 1.570 0.005 . 1 . . . . 29 LEU HB1 . 7071 1 201 . 1 1 29 29 LEU HB3 H 1 1.570 0.005 . 1 . . . . 29 LEU HB2 . 7071 1 202 . 1 1 29 29 LEU C C 13 174.160 0.02 . 1 . . . . 29 LEU C . 7071 1 203 . 1 1 29 29 LEU CA C 13 53.715 0.02 . 1 . . . . 29 LEU CA . 7071 1 204 . 1 1 29 29 LEU CB C 13 44.852 0.02 . 1 . . . . 29 LEU CB . 7071 1 205 . 1 1 29 29 LEU N N 15 119.443 0.02 . 1 . . . . 29 LEU N . 7071 1 206 . 1 1 30 30 GLY H H 1 8.216 0.005 . 1 . . . . 30 GLY HN . 7071 1 207 . 1 1 30 30 GLY HA2 H 1 4.158 0.005 . 2 . . . . 30 GLY HA1 . 7071 1 208 . 1 1 30 30 GLY HA3 H 1 3.885 0.005 . 2 . . . . 30 GLY HA2 . 7071 1 209 . 1 1 30 30 GLY C C 13 176.933 0.02 . 1 . . . . 30 GLY C . 7071 1 210 . 1 1 30 30 GLY CA C 13 44.648 0.02 . 1 . . . . 30 GLY CA . 7071 1 211 . 1 1 30 30 GLY N N 15 108.234 0.02 . 1 . . . . 30 GLY N . 7071 1 212 . 1 1 31 31 THR H H 1 8.276 0.005 . 1 . . . . 31 THR HN . 7071 1 213 . 1 1 31 31 THR HB H 1 4.125 0.005 . 1 . . . . 31 THR HB . 7071 1 214 . 1 1 31 31 THR C C 13 173.726 0.02 . 1 . . . . 31 THR C . 7071 1 215 . 1 1 31 31 THR CA C 13 64.183 0.02 . 1 . . . . 31 THR CA . 7071 1 216 . 1 1 31 31 THR CB C 13 68.940 0.02 . 1 . . . . 31 THR CB . 7071 1 217 . 1 1 31 31 THR N N 15 112.553 0.02 . 1 . . . . 31 THR N . 7071 1 218 . 1 1 32 32 ASP H H 1 8.126 0.005 . 1 . . . . 32 ASP HN . 7071 1 219 . 1 1 32 32 ASP HA H 1 4.649 0.005 . 1 . . . . 32 ASP HA . 7071 1 220 . 1 1 32 32 ASP HB2 H 1 2.850 0.005 . 2 . . . . 32 ASP HB1 . 7071 1 221 . 1 1 32 32 ASP HB3 H 1 2.793 0.005 . 2 . . . . 32 ASP HB2 . 7071 1 222 . 1 1 32 32 ASP C C 13 174.406 0.02 . 1 . . . . 32 ASP C . 7071 1 223 . 1 1 32 32 ASP CA C 13 55.096 0.02 . 1 . . . . 32 ASP CA . 7071 1 224 . 1 1 32 32 ASP CB C 13 40.896 0.02 . 1 . . . . 32 ASP CB . 7071 1 225 . 1 1 32 32 ASP N N 15 118.538 0.02 . 1 . . . . 32 ASP N . 7071 1 226 . 1 1 33 33 ASN H H 1 7.855 0.005 . 1 . . . . 33 ASN HN . 7071 1 227 . 1 1 33 33 ASN HA H 1 4.611 0.005 . 1 . . . . 33 ASN HA . 7071 1 228 . 1 1 33 33 ASN HB2 H 1 2.831 0.005 . 1 . . . . 33 ASN HB1 . 7071 1 229 . 1 1 33 33 ASN HB3 H 1 2.831 0.005 . 1 . . . . 33 ASN HB2 . 7071 1 230 . 1 1 33 33 ASN C C 13 175.915 0.02 . 1 . . . . 33 ASN C . 7071 1 231 . 1 1 33 33 ASN CA C 13 54.182 0.02 . 1 . . . . 33 ASN CA . 7071 1 232 . 1 1 33 33 ASN CB C 13 39.930 0.02 . 1 . . . . 33 ASN CB . 7071 1 233 . 1 1 33 33 ASN N N 15 115.861 0.02 . 1 . . . . 33 ASN N . 7071 1 234 . 1 1 34 34 GLU H H 1 8.543 0.005 . 1 . . . . 34 GLU HN . 7071 1 235 . 1 1 34 34 GLU HA H 1 4.916 0.005 . 1 . . . . 34 GLU HA . 7071 1 236 . 1 1 34 34 GLU HB2 H 1 2.104 0.005 . 2 . . . . 34 GLU HB1 . 7071 1 237 . 1 1 34 34 GLU HB3 H 1 2.034 0.005 . 2 . . . . 34 GLU HB2 . 7071 1 238 . 1 1 34 34 GLU C C 13 174.292 0.02 . 1 . . . . 34 GLU C . 7071 1 239 . 1 1 34 34 GLU CA C 13 56.476 0.02 . 1 . . . . 34 GLU CA . 7071 1 240 . 1 1 34 34 GLU CB C 13 31.820 0.02 . 1 . . . . 34 GLU CB . 7071 1 241 . 1 1 34 34 GLU N N 15 120.240 0.02 . 1 . . . . 34 GLU N . 7071 1 242 . 1 1 35 35 VAL H H 1 8.936 0.005 . 1 . . . . 35 VAL HN . 7071 1 243 . 1 1 35 35 VAL HA H 1 4.971 0.005 . 1 . . . . 35 VAL HA . 7071 1 244 . 1 1 35 35 VAL HB H 1 2.001 0.005 . 1 . . . . 35 VAL HB . 7071 1 245 . 1 1 35 35 VAL C C 13 176.405 0.02 . 1 . . . . 35 VAL C . 7071 1 246 . 1 1 35 35 VAL CA C 13 58.856 0.02 . 1 . . . . 35 VAL CA . 7071 1 247 . 1 1 35 35 VAL CB C 13 35.071 0.02 . 1 . . . . 35 VAL CB . 7071 1 248 . 1 1 35 35 VAL N N 15 115.880 0.02 . 1 . . . . 35 VAL N . 7071 1 249 . 1 1 36 36 GLY H H 1 9.049 0.005 . 1 . . . . 36 GLY HN . 7071 1 250 . 1 1 36 36 GLY HA2 H 1 3.770 0.005 . 2 . . . . 36 GLY HA1 . 7071 1 251 . 1 1 36 36 GLY HA3 H 1 5.004 0.005 . 2 . . . . 36 GLY HA2 . 7071 1 252 . 1 1 36 36 GLY C C 13 173.972 0.02 . 1 . . . . 36 GLY C . 7071 1 253 . 1 1 36 36 GLY CA C 13 43.867 0.02 . 1 . . . . 36 GLY CA . 7071 1 254 . 1 1 36 36 GLY N N 15 108.013 0.02 . 1 . . . . 36 GLY N . 7071 1 255 . 1 1 37 37 MET H H 1 8.733 0.005 . 1 . . . . 37 MET HN . 7071 1 256 . 1 1 37 37 MET HA H 1 5.757 0.005 . 1 . . . . 37 MET HA . 7071 1 257 . 1 1 37 37 MET HB2 H 1 1.736 0.005 . 2 . . . . 37 MET HB1 . 7071 1 258 . 1 1 37 37 MET HB3 H 1 1.828 0.005 . 2 . . . . 37 MET HB2 . 7071 1 259 . 1 1 37 37 MET C C 13 173.293 0.02 . 1 . . . . 37 MET C . 7071 1 260 . 1 1 37 37 MET CA C 13 54.507 0.02 . 1 . . . . 37 MET CA . 7071 1 261 . 1 1 37 37 MET CB C 13 38.191 0.02 . 1 . . . . 37 MET CB . 7071 1 262 . 1 1 37 37 MET N N 15 119.745 0.02 . 1 . . . . 37 MET N . 7071 1 263 . 1 1 38 38 VAL H H 1 8.516 0.005 . 1 . . . . 38 VAL HN . 7071 1 264 . 1 1 38 38 VAL HA H 1 4.622 0.005 . 1 . . . . 38 VAL HA . 7071 1 265 . 1 1 38 38 VAL HB H 1 2.121 0.005 . 1 . . . . 38 VAL HB . 7071 1 266 . 1 1 38 38 VAL C C 13 174.670 0.02 . 1 . . . . 38 VAL C . 7071 1 267 . 1 1 38 38 VAL CA C 13 59.809 0.02 . 1 . . . . 38 VAL CA . 7071 1 268 . 1 1 38 38 VAL CB C 13 36.519 0.02 . 1 . . . . 38 VAL CB . 7071 1 269 . 1 1 38 38 VAL N N 15 117.669 0.02 . 1 . . . . 38 VAL N . 7071 1 270 . 1 1 39 39 ILE H H 1 8.339 0.005 . 1 . . . . 39 ILE HN . 7071 1 271 . 1 1 39 39 ILE HA H 1 5.091 0.005 . 1 . . . . 39 ILE HA . 7071 1 272 . 1 1 39 39 ILE HB H 1 1.815 0.005 . 1 . . . . 39 ILE HB . 7071 1 273 . 1 1 39 39 ILE C C 13 173.681 0.02 . 1 . . . . 39 ILE C . 7071 1 274 . 1 1 39 39 ILE CA C 13 58.820 0.02 . 1 . . . . 39 ILE CA . 7071 1 275 . 1 1 39 39 ILE CB C 13 37.699 0.02 . 1 . . . . 39 ILE CB . 7071 1 276 . 1 1 39 39 ILE N N 15 121.605 0.02 . 1 . . . . 39 ILE N . 7071 1 277 . 1 1 40 40 ASP H H 1 8.869 0.005 . 1 . . . . 40 ASP HN . 7071 1 278 . 1 1 40 40 ASP HA H 1 4.774 0.005 . 1 . . . . 40 ASP HA . 7071 1 279 . 1 1 40 40 ASP HB2 H 1 2.591 0.005 . 2 . . . . 40 ASP HB2 . 7071 1 280 . 1 1 40 40 ASP C C 13 176.066 0.02 . 1 . . . . 40 ASP C . 7071 1 281 . 1 1 40 40 ASP CA C 13 53.546 0.02 . 1 . . . . 40 ASP CA . 7071 1 282 . 1 1 40 40 ASP CB C 13 44.494 0.02 . 1 . . . . 40 ASP CB . 7071 1 283 . 1 1 40 40 ASP N N 15 126.768 0.02 . 1 . . . . 40 ASP N . 7071 1 284 . 1 1 41 41 ASN H H 1 9.346 0.005 . 1 . . . . 41 ASN HN . 7071 1 285 . 1 1 41 41 ASN HA H 1 4.284 0.005 . 1 . . . . 41 ASN HA . 7071 1 286 . 1 1 41 41 ASN HB2 H 1 2.548 0.005 . 2 . . . . 41 ASN HB1 . 7071 1 287 . 1 1 41 41 ASN HB3 H 1 2.995 0.005 . 2 . . . . 41 ASN HB2 . 7071 1 288 . 1 1 41 41 ASN C C 13 176.028 0.02 . 1 . . . . 41 ASN C . 7071 1 289 . 1 1 41 41 ASN CA C 13 54.182 0.02 . 1 . . . . 41 ASN CA . 7071 1 290 . 1 1 41 41 ASN CB C 13 37.712 0.02 . 1 . . . . 41 ASN CB . 7071 1 291 . 1 1 41 41 ASN N N 15 126.136 0.02 . 1 . . . . 41 ASN N . 7071 1 292 . 1 1 42 42 GLY H H 1 8.283 0.005 . 1 . . . . 42 GLY HN . 7071 1 293 . 1 1 42 42 GLY HA2 H 1 3.541 0.005 . 2 . . . . 42 GLY HA1 . 7071 1 294 . 1 1 42 42 GLY HA3 H 1 4.044 0.005 . 2 . . . . 42 GLY HA2 . 7071 1 295 . 1 1 42 42 GLY C C 13 175.330 0.02 . 1 . . . . 42 GLY C . 7071 1 296 . 1 1 42 42 GLY CA C 13 46.063 0.02 . 1 . . . . 42 GLY CA . 7071 1 297 . 1 1 42 42 GLY N N 15 103.090 0.02 . 1 . . . . 42 GLY N . 7071 1 298 . 1 1 43 43 ARG H H 1 7.470 0.005 . 1 . . . . 43 ARG HN . 7071 1 299 . 1 1 43 43 ARG HA H 1 4.797 0.005 . 1 . . . . 43 ARG HA . 7071 1 300 . 1 1 43 43 ARG HB2 H 1 1.809 0.005 . 2 . . . . 43 ARG HB1 . 7071 1 301 . 1 1 43 43 ARG HB3 H 1 1.621 0.005 . 2 . . . . 43 ARG HB2 . 7071 1 302 . 1 1 43 43 ARG C C 13 172.896 0.02 . 1 . . . . 43 ARG C . 7071 1 303 . 1 1 43 43 ARG CA C 13 54.186 0.02 . 1 . . . . 43 ARG CA . 7071 1 304 . 1 1 43 43 ARG CB C 13 32.177 0.02 . 1 . . . . 43 ARG CB . 7071 1 305 . 1 1 43 43 ARG N N 15 116.124 0.02 . 1 . . . . 43 ARG N . 7071 1 306 . 1 1 44 44 LEU H H 1 8.815 0.005 . 1 . . . . 44 LEU HN . 7071 1 307 . 1 1 44 44 LEU HA H 1 4.852 0.005 . 1 . . . . 44 LEU HA . 7071 1 308 . 1 1 44 44 LEU HB2 H 1 1.799 0.005 . 2 . . . . 44 LEU HB1 . 7071 1 309 . 1 1 44 44 LEU HB3 H 1 1.161 0.005 . 2 . . . . 44 LEU HB2 . 7071 1 310 . 1 1 44 44 LEU C C 13 173.877 0.02 . 1 . . . . 44 LEU C . 7071 1 311 . 1 1 44 44 LEU CA C 13 53.953 0.02 . 1 . . . . 44 LEU CA . 7071 1 312 . 1 1 44 44 LEU CB C 13 43.976 0.02 . 1 . . . . 44 LEU CB . 7071 1 313 . 1 1 44 44 LEU N N 15 123.045 0.02 . 1 . . . . 44 LEU N . 7071 1 314 . 1 1 45 45 ILE H H 1 9.242 0.005 . 1 . . . . 45 ILE HN . 7071 1 315 . 1 1 45 45 ILE HA H 1 4.732 0.005 . 1 . . . . 45 ILE HA . 7071 1 316 . 1 1 45 45 ILE HB H 1 1.950 0.005 . 1 . . . . 45 ILE HB . 7071 1 317 . 1 1 45 45 ILE C C 13 173.831 0.02 . 1 . . . . 45 ILE C . 7071 1 318 . 1 1 45 45 ILE CA C 13 60.207 0.02 . 1 . . . . 45 ILE CA . 7071 1 319 . 1 1 45 45 ILE CB C 13 37.657 0.02 . 1 . . . . 45 ILE CB . 7071 1 320 . 1 1 45 45 ILE N N 15 127.365 0.02 . 1 . . . . 45 ILE N . 7071 1 321 . 1 1 46 46 VAL H H 1 9.384 0.005 . 1 . . . . 46 VAL HN . 7071 1 322 . 1 1 46 46 VAL HA H 1 4.961 0.005 . 1 . . . . 46 VAL HA . 7071 1 323 . 1 1 46 46 VAL HB H 1 2.165 0.005 . 1 . . . . 46 VAL HB . 7071 1 324 . 1 1 46 46 VAL C C 13 175.613 0.02 . 1 . . . . 46 VAL C . 7071 1 325 . 1 1 46 46 VAL CA C 13 60.715 0.02 . 1 . . . . 46 VAL CA . 7071 1 326 . 1 1 46 46 VAL CB C 13 33.195 0.02 . 1 . . . . 46 VAL CB . 7071 1 327 . 1 1 46 46 VAL N N 15 128.334 0.02 . 1 . . . . 46 VAL N . 7071 1 328 . 1 1 47 47 GLU H H 1 9.009 0.005 . 1 . . . . 47 GLU HN . 7071 1 329 . 1 1 47 47 GLU HA H 1 5.139 0.005 . 1 . . . . 47 GLU HA . 7071 1 330 . 1 1 47 47 GLU HB2 H 1 2.029 0.005 . 2 . . . . 47 GLU HB1 . 7071 1 331 . 1 1 47 47 GLU HB3 H 1 1.960 0.005 . 2 . . . . 47 GLU HB2 . 7071 1 332 . 1 1 47 47 GLU C C 13 174.556 0.02 . 1 . . . . 47 GLU C . 7071 1 333 . 1 1 47 47 GLU CA C 13 52.527 0.02 . 1 . . . . 47 GLU CA . 7071 1 334 . 1 1 47 47 GLU CB C 13 32.778 0.02 . 1 . . . . 47 GLU CB . 7071 1 335 . 1 1 47 47 GLU N N 15 125.443 0.02 . 1 . . . . 47 GLU N . 7071 1 336 . 1 1 48 48 PRO HA H 1 4.426 0.005 . 1 . . . . 48 PRO HA . 7071 1 337 . 1 1 48 48 PRO CA C 13 63.685 0.02 . 1 . . . . 48 PRO CA . 7071 1 338 . 1 1 48 48 PRO CB C 13 32.200 0.02 . 1 . . . . 48 PRO CB . 7071 1 339 . 1 1 49 49 TYR H H 1 8.239 0.005 . 1 . . . . 49 TYR HN . 7071 1 340 . 1 1 49 49 TYR HA H 1 4.666 0.005 . 1 . . . . 49 TYR HA . 7071 1 341 . 1 1 49 49 TYR HB2 H 1 2.690 0.005 . 1 . . . . 49 TYR HB1 . 7071 1 342 . 1 1 49 49 TYR HB3 H 1 2.690 0.005 . 1 . . . . 49 TYR HB2 . 7071 1 343 . 1 1 49 49 TYR C C 13 175.405 0.02 . 1 . . . . 49 TYR C . 7071 1 344 . 1 1 49 49 TYR CA C 13 57.495 0.02 . 1 . . . . 49 TYR CA . 7071 1 345 . 1 1 49 49 TYR CB C 13 39.399 0.02 . 1 . . . . 49 TYR CB . 7071 1 346 . 1 1 49 49 TYR N N 15 125.071 0.02 . 1 . . . . 49 TYR N . 7071 1 347 . 1 1 50 50 ARG H H 1 8.093 0.005 . 1 . . . . 50 ARG HN . 7071 1 348 . 1 1 50 50 ARG HA H 1 4.251 0.005 . 1 . . . . 50 ARG HA . 7071 1 349 . 1 1 50 50 ARG HB2 H 1 1.591 0.005 . 1 . . . . 50 ARG HB1 . 7071 1 350 . 1 1 50 50 ARG HB3 H 1 1.591 0.005 . 1 . . . . 50 ARG HB2 . 7071 1 351 . 1 1 50 50 ARG C C 13 174.632 0.02 . 1 . . . . 50 ARG C . 7071 1 352 . 1 1 50 50 ARG CA C 13 54.766 0.02 . 1 . . . . 50 ARG CA . 7071 1 353 . 1 1 50 50 ARG CB C 13 30.756 0.02 . 1 . . . . 50 ARG CB . 7071 1 354 . 1 1 50 50 ARG N N 15 126.324 0.02 . 1 . . . . 50 ARG N . 7071 1 355 . 1 1 51 51 ARG H H 1 8.145 0.005 . 1 . . . . 51 ARG HN . 7071 1 356 . 1 1 51 51 ARG HA H 1 4.288 0.005 . 1 . . . . 51 ARG HA . 7071 1 357 . 1 1 51 51 ARG HB2 H 1 1.742 0.005 . 2 . . . . 51 ARG HB1 . 7071 1 358 . 1 1 51 51 ARG HB3 H 1 1.643 0.005 . 2 . . . . 51 ARG HB2 . 7071 1 359 . 1 1 51 51 ARG C C 13 174.707 0.02 . 1 . . . . 51 ARG C . 7071 1 360 . 1 1 51 51 ARG CA C 13 54.333 0.02 . 1 . . . . 51 ARG CA . 7071 1 361 . 1 1 51 51 ARG CB C 13 30.208 0.02 . 1 . . . . 51 ARG CB . 7071 1 362 . 1 1 51 51 ARG N N 15 124.026 0.02 . 1 . . . . 51 ARG N . 7071 1 363 . 1 1 52 52 PRO HA H 1 4.283 0.005 . 1 . . . . 52 PRO HA . 7071 1 364 . 1 1 52 52 PRO HB2 H 1 1.637 0.005 . 2 . . . . 52 PRO HB1 . 7071 1 365 . 1 1 52 52 PRO HB3 H 1 2.157 0.005 . 2 . . . . 52 PRO HB2 . 7071 1 366 . 1 1 52 52 PRO CA C 13 63.156 0.02 . 1 . . . . 52 PRO CA . 7071 1 367 . 1 1 52 52 PRO CB C 13 31.980 0.02 . 1 . . . . 52 PRO CB . 7071 1 368 . 1 1 53 53 GLN H H 1 8.299 0.005 . 1 . . . . 53 GLN HN . 7071 1 369 . 1 1 53 53 GLN HA H 1 4.160 0.005 . 1 . . . . 53 GLN HA . 7071 1 370 . 1 1 53 53 GLN HB2 H 1 1.878 0.005 . 1 . . . . 53 GLN HB1 . 7071 1 371 . 1 1 53 53 GLN HB3 H 1 1.878 0.005 . 1 . . . . 53 GLN HB2 . 7071 1 372 . 1 1 53 53 GLN C C 13 176.499 0.02 . 1 . . . . 53 GLN C . 7071 1 373 . 1 1 53 53 GLN CA C 13 55.980 0.02 . 1 . . . . 53 GLN CA . 7071 1 374 . 1 1 53 53 GLN CB C 13 29.319 0.02 . 1 . . . . 53 GLN CB . 7071 1 375 . 1 1 53 53 GLN N N 15 120.119 0.02 . 1 . . . . 53 GLN N . 7071 1 376 . 1 1 54 54 TYR H H 1 7.939 0.005 . 1 . . . . 54 TYR HN . 7071 1 377 . 1 1 54 54 TYR HA H 1 4.645 0.005 . 1 . . . . 54 TYR HA . 7071 1 378 . 1 1 54 54 TYR HB2 H 1 2.826 0.005 . 2 . . . . 54 TYR HB1 . 7071 1 379 . 1 1 54 54 TYR HB3 H 1 2.721 0.005 . 2 . . . . 54 TYR HB2 . 7071 1 380 . 1 1 54 54 TYR C C 13 175.594 0.02 . 1 . . . . 54 TYR C . 7071 1 381 . 1 1 54 54 TYR CA C 13 57.445 0.02 . 1 . . . . 54 TYR CA . 7071 1 382 . 1 1 54 54 TYR CB C 13 39.160 0.02 . 1 . . . . 54 TYR CB . 7071 1 383 . 1 1 54 54 TYR N N 15 120.304 0.02 . 1 . . . . 54 TYR N . 7071 1 384 . 1 1 55 55 SER H H 1 8.434 0.005 . 1 . . . . 55 SER HN . 7071 1 385 . 1 1 55 55 SER HA H 1 4.502 0.005 . 1 . . . . 55 SER HA . 7071 1 386 . 1 1 55 55 SER HB2 H 1 4.415 0.005 . 1 . . . . 55 SER HB1 . 7071 1 387 . 1 1 55 55 SER HB3 H 1 4.415 0.005 . 1 . . . . 55 SER HB2 . 7071 1 388 . 1 1 55 55 SER C C 13 175.801 0.02 . 1 . . . . 55 SER C . 7071 1 389 . 1 1 55 55 SER CA C 13 57.679 0.02 . 1 . . . . 55 SER CA . 7071 1 390 . 1 1 55 55 SER CB C 13 64.301 0.02 . 1 . . . . 55 SER CB . 7071 1 391 . 1 1 55 55 SER N N 15 117.430 0.02 . 1 . . . . 55 SER N . 7071 1 392 . 1 1 56 56 LEU H H 1 8.341 0.005 . 1 . . . . 56 LEU HN . 7071 1 393 . 1 1 56 56 LEU HA H 1 4.160 0.005 . 1 . . . . 56 LEU HA . 7071 1 394 . 1 1 56 56 LEU HB2 H 1 1.616 0.005 . 1 . . . . 56 LEU HB1 . 7071 1 395 . 1 1 56 56 LEU HB3 H 1 1.616 0.005 . 1 . . . . 56 LEU HB2 . 7071 1 396 . 1 1 56 56 LEU C C 13 174.666 0.02 . 1 . . . . 56 LEU C . 7071 1 397 . 1 1 56 56 LEU CA C 13 56.938 0.02 . 1 . . . . 56 LEU CA . 7071 1 398 . 1 1 56 56 LEU CB C 13 41.655 0.02 . 1 . . . . 56 LEU CB . 7071 1 399 . 1 1 56 56 LEU N N 15 123.928 0.02 . 1 . . . . 56 LEU N . 7071 1 400 . 1 1 57 57 ALA H H 1 8.164 0.005 . 1 . . . . 57 ALA HN . 7071 1 401 . 1 1 57 57 ALA HA H 1 4.076 0.005 . 1 . . . . 57 ALA HA . 7071 1 402 . 1 1 57 57 ALA HB1 H 1 1.352 0.005 . 1 . . . . 57 ALA HB . 7071 1 403 . 1 1 57 57 ALA HB2 H 1 1.352 0.005 . 1 . . . . 57 ALA HB . 7071 1 404 . 1 1 57 57 ALA HB3 H 1 1.352 0.005 . 1 . . . . 57 ALA HB . 7071 1 405 . 1 1 57 57 ALA C C 13 177.972 0.02 . 1 . . . . 57 ALA C . 7071 1 406 . 1 1 57 57 ALA CA C 13 54.249 0.02 . 1 . . . . 57 ALA CA . 7071 1 407 . 1 1 57 57 ALA CB C 13 18.514 0.02 . 1 . . . . 57 ALA CB . 7071 1 408 . 1 1 57 57 ALA N N 15 121.408 0.02 . 1 . . . . 57 ALA N . 7071 1 409 . 1 1 58 58 GLU H H 1 7.924 0.005 . 1 . . . . 58 GLU HN . 7071 1 410 . 1 1 58 58 GLU HA H 1 4.160 0.005 . 1 . . . . 58 GLU HA . 7071 1 411 . 1 1 58 58 GLU HB2 H 1 1.901 0.005 . 2 . . . . 58 GLU HB2 . 7071 1 412 . 1 1 58 58 GLU C C 13 179.480 0.02 . 1 . . . . 58 GLU C . 7071 1 413 . 1 1 58 58 GLU CA C 13 57.903 0.02 . 1 . . . . 58 GLU CA . 7071 1 414 . 1 1 58 58 GLU CB C 13 29.960 0.02 . 1 . . . . 58 GLU CB . 7071 1 415 . 1 1 58 58 GLU N N 15 118.266 0.02 . 1 . . . . 58 GLU N . 7071 1 416 . 1 1 59 59 LEU H H 1 7.976 0.005 . 1 . . . . 59 LEU HN . 7071 1 417 . 1 1 59 59 LEU C C 13 177.725 0.02 . 1 . . . . 59 LEU C . 7071 1 418 . 1 1 59 59 LEU CA C 13 56.707 0.02 . 1 . . . . 59 LEU CA . 7071 1 419 . 1 1 59 59 LEU CB C 13 42.085 0.02 . 1 . . . . 59 LEU CB . 7071 1 420 . 1 1 59 59 LEU N N 15 121.365 0.02 . 1 . . . . 59 LEU N . 7071 1 421 . 1 1 60 60 LEU H H 1 8.074 0.005 . 1 . . . . 60 LEU HN . 7071 1 422 . 1 1 60 60 LEU HA H 1 4.199 0.005 . 1 . . . . 60 LEU HA . 7071 1 423 . 1 1 60 60 LEU HB2 H 1 1.672 0.005 . 2 . . . . 60 LEU HB1 . 7071 1 424 . 1 1 60 60 LEU HB3 H 1 1.524 0.005 . 2 . . . . 60 LEU HB2 . 7071 1 425 . 1 1 60 60 LEU CA C 13 56.085 0.02 . 1 . . . . 60 LEU CA . 7071 1 426 . 1 1 60 60 LEU CB C 13 41.956 0.02 . 1 . . . . 60 LEU CB . 7071 1 427 . 1 1 60 60 LEU N N 15 120.743 0.02 . 1 . . . . 60 LEU N . 7071 1 428 . 1 1 61 61 ALA H H 1 7.750 0.005 . 1 . . . . 61 ALA HN . 7071 1 429 . 1 1 61 61 ALA HA H 1 4.230 0.005 . 1 . . . . 61 ALA HA . 7071 1 430 . 1 1 61 61 ALA HB1 H 1 1.393 0.005 . 1 . . . . 61 ALA HB . 7071 1 431 . 1 1 61 61 ALA HB2 H 1 1.393 0.005 . 1 . . . . 61 ALA HB . 7071 1 432 . 1 1 61 61 ALA HB3 H 1 1.393 0.005 . 1 . . . . 61 ALA HB . 7071 1 433 . 1 1 61 61 ALA C C 13 177.971 0.02 . 1 . . . . 61 ALA C . 7071 1 434 . 1 1 61 61 ALA CA C 13 52.973 0.02 . 1 . . . . 61 ALA CA . 7071 1 435 . 1 1 61 61 ALA CB C 13 19.048 0.02 . 1 . . . . 61 ALA CB . 7071 1 436 . 1 1 61 61 ALA N N 15 122.203 0.02 . 1 . . . . 61 ALA N . 7071 1 437 . 1 1 62 62 GLN H H 1 7.879 0.005 . 1 . . . . 62 GLN HN . 7071 1 438 . 1 1 62 62 GLN HA H 1 4.260 0.005 . 1 . . . . 62 GLN HA . 7071 1 439 . 1 1 62 62 GLN HB2 H 1 1.985 0.005 . 1 . . . . 62 GLN HB1 . 7071 1 440 . 1 1 62 62 GLN HB3 H 1 1.985 0.005 . 1 . . . . 62 GLN HB2 . 7071 1 441 . 1 1 62 62 GLN C C 13 177.990 0.02 . 1 . . . . 62 GLN C . 7071 1 442 . 1 1 62 62 GLN CA C 13 56.011 0.02 . 1 . . . . 62 GLN CA . 7071 1 443 . 1 1 62 62 GLN CB C 13 29.225 0.02 . 1 . . . . 62 GLN CB . 7071 1 444 . 1 1 62 62 GLN N N 15 117.426 0.02 . 1 . . . . 62 GLN N . 7071 1 445 . 1 1 63 63 CYS H H 1 8.024 0.005 . 1 . . . . 63 CYS HN . 7071 1 446 . 1 1 63 63 CYS HA H 1 4.448 0.005 . 1 . . . . 63 CYS HA . 7071 1 447 . 1 1 63 63 CYS HB2 H 1 2.886 0.005 . 1 . . . . 63 CYS HB1 . 7071 1 448 . 1 1 63 63 CYS HB3 H 1 2.886 0.005 . 1 . . . . 63 CYS HB2 . 7071 1 449 . 1 1 63 63 CYS C C 13 175.952 0.02 . 1 . . . . 63 CYS C . 7071 1 450 . 1 1 63 63 CYS CA C 13 58.473 0.02 . 1 . . . . 63 CYS CA . 7071 1 451 . 1 1 63 63 CYS CB C 13 28.011 0.02 . 1 . . . . 63 CYS CB . 7071 1 452 . 1 1 63 63 CYS N N 15 118.936 0.02 . 1 . . . . 63 CYS N . 7071 1 453 . 1 1 64 64 ASP H H 1 8.315 0.005 . 1 . . . . 64 ASP HN . 7071 1 454 . 1 1 64 64 ASP HA H 1 4.911 0.005 . 1 . . . . 64 ASP HA . 7071 1 455 . 1 1 64 64 ASP HB2 H 1 2.574 0.005 . 2 . . . . 64 ASP HB1 . 7071 1 456 . 1 1 64 64 ASP HB3 H 1 2.797 0.005 . 2 . . . . 64 ASP HB2 . 7071 1 457 . 1 1 64 64 ASP C C 13 173.838 0.02 . 1 . . . . 64 ASP C . 7071 1 458 . 1 1 64 64 ASP CA C 13 51.921 0.02 . 1 . . . . 64 ASP CA . 7071 1 459 . 1 1 64 64 ASP CB C 13 41.606 0.02 . 1 . . . . 64 ASP CB . 7071 1 460 . 1 1 64 64 ASP N N 15 123.694 0.02 . 1 . . . . 64 ASP N . 7071 1 461 . 1 1 65 65 PRO HA H 1 4.367 0.005 . 1 . . . . 65 PRO HA . 7071 1 462 . 1 1 65 65 PRO HB2 H 1 1.918 0.005 . 2 . . . . 65 PRO HB1 . 7071 1 463 . 1 1 65 65 PRO HB3 H 1 2.277 0.005 . 2 . . . . 65 PRO HB2 . 7071 1 464 . 1 1 65 65 PRO CA C 13 63.867 0.02 . 1 . . . . 65 PRO CA . 7071 1 465 . 1 1 65 65 PRO CB C 13 32.081 0.02 . 1 . . . . 65 PRO CB . 7071 1 466 . 1 1 66 66 ASN H H 1 8.438 0.005 . 1 . . . . 66 ASN HN . 7071 1 467 . 1 1 66 66 ASN HA H 1 4.683 0.005 . 1 . . . . 66 ASN HA . 7071 1 468 . 1 1 66 66 ASN HB2 H 1 2.725 0.005 . 2 . . . . 66 ASN HB1 . 7071 1 469 . 1 1 66 66 ASN HB3 H 1 2.838 0.005 . 2 . . . . 66 ASN HB2 . 7071 1 470 . 1 1 66 66 ASN C C 13 177.197 0.02 . 1 . . . . 66 ASN C . 7071 1 471 . 1 1 66 66 ASN CA C 13 53.420 0.02 . 1 . . . . 66 ASN CA . 7071 1 472 . 1 1 66 66 ASN CB C 13 38.919 0.02 . 1 . . . . 66 ASN CB . 7071 1 473 . 1 1 66 66 ASN N N 15 116.824 0.02 . 1 . . . . 66 ASN N . 7071 1 474 . 1 1 67 67 ALA H H 1 7.729 0.005 . 1 . . . . 67 ALA HN . 7071 1 475 . 1 1 67 67 ALA HA H 1 4.242 0.005 . 1 . . . . 67 ALA HA . 7071 1 476 . 1 1 67 67 ALA HB1 H 1 1.406 0.005 . 1 . . . . 67 ALA HB . 7071 1 477 . 1 1 67 67 ALA HB2 H 1 1.406 0.005 . 1 . . . . 67 ALA HB . 7071 1 478 . 1 1 67 67 ALA HB3 H 1 1.406 0.005 . 1 . . . . 67 ALA HB . 7071 1 479 . 1 1 67 67 ALA C C 13 175.085 0.02 . 1 . . . . 67 ALA C . 7071 1 480 . 1 1 67 67 ALA CA C 13 52.974 0.02 . 1 . . . . 67 ALA CA . 7071 1 481 . 1 1 67 67 ALA CB C 13 19.545 0.02 . 1 . . . . 67 ALA CB . 7071 1 482 . 1 1 67 67 ALA N N 15 123.524 0.02 . 1 . . . . 67 ALA N . 7071 1 483 . 1 1 68 68 GLU H H 1 8.215 0.005 . 1 . . . . 68 GLU HN . 7071 1 484 . 1 1 68 68 GLU HA H 1 4.257 0.005 . 1 . . . . 68 GLU HA . 7071 1 485 . 1 1 68 68 GLU HB2 H 1 1.910 0.005 . 2 . . . . 68 GLU HB1 . 7071 1 486 . 1 1 68 68 GLU HB3 H 1 2.011 0.005 . 2 . . . . 68 GLU HB2 . 7071 1 487 . 1 1 68 68 GLU C C 13 177.555 0.02 . 1 . . . . 68 GLU C . 7071 1 488 . 1 1 68 68 GLU CA C 13 56.505 0.02 . 1 . . . . 68 GLU CA . 7071 1 489 . 1 1 68 68 GLU CB C 13 30.251 0.02 . 1 . . . . 68 GLU CB . 7071 1 490 . 1 1 68 68 GLU N N 15 119.900 0.02 . 1 . . . . 68 GLU N . 7071 1 491 . 1 1 69 69 ILE H H 1 8.022 0.005 . 1 . . . . 69 ILE HN . 7071 1 492 . 1 1 69 69 ILE HA H 1 4.174 0.005 . 1 . . . . 69 ILE HA . 7071 1 493 . 1 1 69 69 ILE HB H 1 1.827 0.005 . 1 . . . . 69 ILE HB . 7071 1 494 . 1 1 69 69 ILE C C 13 176.443 0.02 . 1 . . . . 69 ILE C . 7071 1 495 . 1 1 69 69 ILE CA C 13 61.084 0.02 . 1 . . . . 69 ILE CA . 7071 1 496 . 1 1 69 69 ILE CB C 13 38.953 0.02 . 1 . . . . 69 ILE CB . 7071 1 497 . 1 1 69 69 ILE N N 15 121.827 0.02 . 1 . . . . 69 ILE N . 7071 1 498 . 1 1 70 70 SER H H 1 8.397 0.005 . 1 . . . . 70 SER HN . 7071 1 499 . 1 1 70 70 SER HA H 1 4.414 0.005 . 1 . . . . 70 SER HA . 7071 1 500 . 1 1 70 70 SER HB2 H 1 3.864 0.005 . 2 . . . . 70 SER HB1 . 7071 1 501 . 1 1 70 70 SER HB3 H 1 3.948 0.005 . 2 . . . . 70 SER HB2 . 7071 1 502 . 1 1 70 70 SER C C 13 176.216 0.02 . 1 . . . . 70 SER C . 7071 1 503 . 1 1 70 70 SER CA C 13 58.212 0.02 . 1 . . . . 70 SER CA . 7071 1 504 . 1 1 70 70 SER CB C 13 64.305 0.02 . 1 . . . . 70 SER CB . 7071 1 505 . 1 1 70 70 SER N N 15 120.567 0.02 . 1 . . . . 70 SER N . 7071 1 506 . 1 1 71 71 ALA H H 1 8.435 0.005 . 1 . . . . 71 ALA HN . 7071 1 507 . 1 1 71 71 ALA HA H 1 4.197 0.005 . 1 . . . . 71 ALA HA . 7071 1 508 . 1 1 71 71 ALA HB1 H 1 1.391 0.005 . 1 . . . . 71 ALA HB . 7071 1 509 . 1 1 71 71 ALA HB2 H 1 1.391 0.005 . 1 . . . . 71 ALA HB . 7071 1 510 . 1 1 71 71 ALA HB3 H 1 1.391 0.005 . 1 . . . . 71 ALA HB . 7071 1 511 . 1 1 71 71 ALA C C 13 174.570 0.02 . 1 . . . . 71 ALA C . 7071 1 512 . 1 1 71 71 ALA CA C 13 53.420 0.02 . 1 . . . . 71 ALA CA . 7071 1 513 . 1 1 71 71 ALA CB C 13 19.008 0.02 . 1 . . . . 71 ALA CB . 7071 1 514 . 1 1 71 71 ALA N N 15 125.885 0.02 . 1 . . . . 71 ALA N . 7071 1 515 . 1 1 72 72 GLU H H 1 8.349 0.005 . 1 . . . . 72 GLU HN . 7071 1 516 . 1 1 72 72 GLU HA H 1 4.156 0.005 . 1 . . . . 72 GLU HA . 7071 1 517 . 1 1 72 72 GLU C C 13 178.480 0.02 . 1 . . . . 72 GLU C . 7071 1 518 . 1 1 72 72 GLU CA C 13 57.519 0.02 . 1 . . . . 72 GLU CA . 7071 1 519 . 1 1 72 72 GLU CB C 13 29.894 0.02 . 1 . . . . 72 GLU CB . 7071 1 520 . 1 1 72 72 GLU N N 15 118.736 0.02 . 1 . . . . 72 GLU N . 7071 1 521 . 1 1 73 73 GLU H H 1 8.074 0.005 . 1 . . . . 73 GLU HN . 7071 1 522 . 1 1 73 73 GLU HA H 1 4.156 0.005 . 1 . . . . 73 GLU HA . 7071 1 523 . 1 1 73 73 GLU CA C 13 57.083 0.02 . 1 . . . . 73 GLU CA . 7071 1 524 . 1 1 73 73 GLU CB C 13 29.918 0.02 . 1 . . . . 73 GLU CB . 7071 1 525 . 1 1 73 73 GLU N N 15 120.743 0.02 . 1 . . . . 73 GLU N . 7071 1 526 . 1 1 74 74 ARG H H 1 8.074 0.005 . 1 . . . . 74 ARG HN . 7071 1 527 . 1 1 74 74 ARG HA H 1 4.114 0.005 . 1 . . . . 74 ARG HA . 7071 1 528 . 1 1 74 74 ARG HB2 H 1 1.697 0.005 . 1 . . . . 74 ARG HB1 . 7071 1 529 . 1 1 74 74 ARG HB3 H 1 1.697 0.005 . 1 . . . . 74 ARG HB2 . 7071 1 530 . 1 1 74 74 ARG CA C 13 56.996 0.02 . 1 . . . . 74 ARG CA . 7071 1 531 . 1 1 74 74 ARG CB C 13 30.853 0.02 . 1 . . . . 74 ARG CB . 7071 1 532 . 1 1 74 74 ARG N N 15 120.743 0.02 . 1 . . . . 74 ARG N . 7071 1 533 . 1 1 75 75 GLU H H 1 8.139 0.005 . 1 . . . . 75 GLU HN . 7071 1 534 . 1 1 75 75 GLU HA H 1 4.159 0.005 . 1 . . . . 75 GLU HA . 7071 1 535 . 1 1 75 75 GLU HB2 H 1 1.910 0.005 . 1 . . . . 75 GLU HB1 . 7071 1 536 . 1 1 75 75 GLU HB3 H 1 1.910 0.005 . 1 . . . . 75 GLU HB2 . 7071 1 537 . 1 1 75 75 GLU C C 13 176.518 0.02 . 1 . . . . 75 GLU C . 7071 1 538 . 1 1 75 75 GLU CA C 13 57.146 0.02 . 1 . . . . 75 GLU CA . 7071 1 539 . 1 1 75 75 GLU CB C 13 29.887 0.02 . 1 . . . . 75 GLU CB . 7071 1 540 . 1 1 75 75 GLU N N 15 120.449 0.02 . 1 . . . . 75 GLU N . 7071 1 541 . 1 1 76 76 TRP H H 1 7.928 0.005 . 1 . . . . 76 TRP HN . 7071 1 542 . 1 1 76 76 TRP HA H 1 4.626 0.005 . 1 . . . . 76 TRP HA . 7071 1 543 . 1 1 76 76 TRP HB2 H 1 3.221 0.005 . 2 . . . . 76 TRP HB1 . 7071 1 544 . 1 1 76 76 TRP HB3 H 1 3.294 0.005 . 2 . . . . 76 TRP HB2 . 7071 1 545 . 1 1 76 76 TRP C C 13 176.499 0.02 . 1 . . . . 76 TRP C . 7071 1 546 . 1 1 76 76 TRP CA C 13 57.229 0.02 . 1 . . . . 76 TRP CA . 7071 1 547 . 1 1 76 76 TRP CB C 13 29.565 0.02 . 1 . . . . 76 TRP CB . 7071 1 548 . 1 1 76 76 TRP N N 15 120.858 0.02 . 1 . . . . 76 TRP N . 7071 1 549 . 1 1 77 77 LEU H H 1 7.857 0.005 . 1 . . . . 77 LEU HN . 7071 1 550 . 1 1 77 77 LEU HA H 1 4.212 0.005 . 1 . . . . 77 LEU HA . 7071 1 551 . 1 1 77 77 LEU HB2 H 1 1.492 0.005 . 1 . . . . 77 LEU HB1 . 7071 1 552 . 1 1 77 77 LEU HB3 H 1 1.492 0.005 . 1 . . . . 77 LEU HB2 . 7071 1 553 . 1 1 77 77 LEU C C 13 176.216 0.02 . 1 . . . . 77 LEU C . 7071 1 554 . 1 1 77 77 LEU CA C 13 55.321 0.02 . 1 . . . . 77 LEU CA . 7071 1 555 . 1 1 77 77 LEU CB C 13 42.759 0.02 . 1 . . . . 77 LEU CB . 7071 1 556 . 1 1 77 77 LEU N N 15 122.850 0.02 . 1 . . . . 77 LEU N . 7071 1 557 . 1 1 78 78 ASP H H 1 8.012 0.005 . 1 . . . . 78 ASP HN . 7071 1 558 . 1 1 78 78 ASP HA H 1 4.520 0.005 . 1 . . . . 78 ASP HA . 7071 1 559 . 1 1 78 78 ASP HB2 H 1 2.507 0.005 . 2 . . . . 78 ASP HB1 . 7071 1 560 . 1 1 78 78 ASP HB3 H 1 2.656 0.005 . 2 . . . . 78 ASP HB2 . 7071 1 561 . 1 1 78 78 ASP C C 13 176.820 0.02 . 1 . . . . 78 ASP C . 7071 1 562 . 1 1 78 78 ASP CA C 13 54.102 0.02 . 1 . . . . 78 ASP CA . 7071 1 563 . 1 1 78 78 ASP CB C 13 41.158 0.02 . 1 . . . . 78 ASP CB . 7071 1 564 . 1 1 78 78 ASP N N 15 120.389 0.02 . 1 . . . . 78 ASP N . 7071 1 565 . 1 1 79 79 ALA H H 1 7.893 0.005 . 1 . . . . 79 ALA HN . 7071 1 566 . 1 1 79 79 ALA HA H 1 4.499 0.005 . 1 . . . . 79 ALA HA . 7071 1 567 . 1 1 79 79 ALA HB1 H 1 1.295 0.005 . 1 . . . . 79 ALA HB . 7071 1 568 . 1 1 79 79 ALA HB2 H 1 1.295 0.005 . 1 . . . . 79 ALA HB . 7071 1 569 . 1 1 79 79 ALA HB3 H 1 1.295 0.005 . 1 . . . . 79 ALA HB . 7071 1 570 . 1 1 79 79 ALA C C 13 175.330 0.02 . 1 . . . . 79 ALA C . 7071 1 571 . 1 1 79 79 ALA CA C 13 50.537 0.02 . 1 . . . . 79 ALA CA . 7071 1 572 . 1 1 79 79 ALA CB C 13 18.407 0.02 . 1 . . . . 79 ALA CB . 7071 1 573 . 1 1 79 79 ALA N N 15 124.878 0.02 . 1 . . . . 79 ALA N . 7071 1 574 . 1 1 80 80 PRO HA H 1 4.362 0.005 . 1 . . . . 80 PRO HA . 7071 1 575 . 1 1 80 80 PRO HB2 H 1 1.857 0.005 . 2 . . . . 80 PRO HB1 . 7071 1 576 . 1 1 80 80 PRO HB3 H 1 2.226 0.005 . 2 . . . . 80 PRO HB2 . 7071 1 577 . 1 1 80 80 PRO CA C 13 63.018 0.02 . 1 . . . . 80 PRO CA . 7071 1 578 . 1 1 80 80 PRO CB C 13 31.994 0.02 . 1 . . . . 80 PRO CB . 7071 1 579 . 1 1 81 81 ALA H H 1 8.351 0.005 . 1 . . . . 81 ALA HN . 7071 1 580 . 1 1 81 81 ALA HA H 1 4.340 0.005 . 1 . . . . 81 ALA HA . 7071 1 581 . 1 1 81 81 ALA HB1 H 1 1.368 0.005 . 1 . . . . 81 ALA HB . 7071 1 582 . 1 1 81 81 ALA HB2 H 1 1.368 0.005 . 1 . . . . 81 ALA HB . 7071 1 583 . 1 1 81 81 ALA HB3 H 1 1.368 0.005 . 1 . . . . 81 ALA HB . 7071 1 584 . 1 1 81 81 ALA C C 13 176.745 0.02 . 1 . . . . 81 ALA C . 7071 1 585 . 1 1 81 81 ALA CA C 13 52.407 0.02 . 1 . . . . 81 ALA CA . 7071 1 586 . 1 1 81 81 ALA CB C 13 18.986 0.02 . 1 . . . . 81 ALA CB . 7071 1 587 . 1 1 81 81 ALA N N 15 124.497 0.02 . 1 . . . . 81 ALA N . 7071 1 588 . 1 1 82 82 THR H H 1 8.139 0.005 . 1 . . . . 82 THR HN . 7071 1 589 . 1 1 82 82 THR HA H 1 4.314 0.005 . 1 . . . . 82 THR HA . 7071 1 590 . 1 1 82 82 THR HB H 1 4.215 0.005 . 1 . . . . 82 THR HB . 7071 1 591 . 1 1 82 82 THR C C 13 178.065 0.02 . 1 . . . . 82 THR C . 7071 1 592 . 1 1 82 82 THR CA C 13 61.951 0.02 . 1 . . . . 82 THR CA . 7071 1 593 . 1 1 82 82 THR CB C 13 70.088 0.02 . 1 . . . . 82 THR CB . 7071 1 594 . 1 1 82 82 THR N N 15 112.936 0.02 . 1 . . . . 82 THR N . 7071 1 595 . 1 1 83 83 GLY H H 1 8.443 0.005 . 1 . . . . 83 GLY HN . 7071 1 596 . 1 1 83 83 GLY HA2 H 1 3.935 0.005 . 2 . . . . 83 GLY HA1 . 7071 1 597 . 1 1 83 83 GLY HA3 H 1 3.972 0.005 . 2 . . . . 83 GLY HA2 . 7071 1 598 . 1 1 83 83 GLY C C 13 175.349 0.02 . 1 . . . . 83 GLY C . 7071 1 599 . 1 1 83 83 GLY CA C 13 45.439 0.02 . 1 . . . . 83 GLY CA . 7071 1 600 . 1 1 83 83 GLY N N 15 111.229 0.02 . 1 . . . . 83 GLY N . 7071 1 601 . 1 1 84 84 GLN H H 1 8.203 0.005 . 1 . . . . 84 GLN HN . 7071 1 602 . 1 1 84 84 GLN HA H 1 4.340 0.005 . 1 . . . . 84 GLN HA . 7071 1 603 . 1 1 84 84 GLN HB2 H 1 1.941 0.005 . 2 . . . . 84 GLN HB1 . 7071 1 604 . 1 1 84 84 GLN HB3 H 1 2.107 0.005 . 2 . . . . 84 GLN HB2 . 7071 1 605 . 1 1 84 84 GLN C C 13 174.150 0.02 . 1 . . . . 84 GLN C . 7071 1 606 . 1 1 84 84 GLN CA C 13 55.699 0.02 . 1 . . . . 84 GLN CA . 7071 1 607 . 1 1 84 84 GLN CB C 13 29.672 0.02 . 1 . . . . 84 GLN CB . 7071 1 608 . 1 1 84 84 GLN N N 15 119.768 0.02 . 1 . . . . 84 GLN N . 7071 1 609 . 1 1 85 85 GLU H H 1 8.496 0.005 . 1 . . . . 85 GLU HN . 7071 1 610 . 1 1 85 85 GLU HA H 1 4.257 0.005 . 1 . . . . 85 GLU HA . 7071 1 611 . 1 1 85 85 GLU HB2 H 1 1.904 0.005 . 2 . . . . 85 GLU HB1 . 7071 1 612 . 1 1 85 85 GLU HB3 H 1 2.023 0.005 . 2 . . . . 85 GLU HB2 . 7071 1 613 . 1 1 85 85 GLU C C 13 175.820 0.02 . 1 . . . . 85 GLU C . 7071 1 614 . 1 1 85 85 GLU CA C 13 56.753 0.02 . 1 . . . . 85 GLU CA . 7071 1 615 . 1 1 85 85 GLU CB C 13 30.309 0.02 . 1 . . . . 85 GLU CB . 7071 1 616 . 1 1 85 85 GLU N N 15 121.960 0.02 . 1 . . . . 85 GLU N . 7071 1 617 . 1 1 86 86 GLU H H 1 8.366 0.005 . 1 . . . . 86 GLU HN . 7071 1 618 . 1 1 86 86 GLU HA H 1 4.314 0.005 . 1 . . . . 86 GLU HA . 7071 1 619 . 1 1 86 86 GLU HB2 H 1 1.904 0.005 . 2 . . . . 86 GLU HB1 . 7071 1 620 . 1 1 86 86 GLU HB3 H 1 2.024 0.005 . 2 . . . . 86 GLU HB2 . 7071 1 621 . 1 1 86 86 GLU C C 13 176.235 0.02 . 1 . . . . 86 GLU C . 7071 1 622 . 1 1 86 86 GLU CA C 13 56.532 0.02 . 1 . . . . 86 GLU CA . 7071 1 623 . 1 1 86 86 GLU CB C 13 30.294 0.02 . 1 . . . . 86 GLU CB . 7071 1 624 . 1 1 86 86 GLU N N 15 122.563 0.02 . 1 . . . . 86 GLU N . 7071 1 625 . 1 1 87 87 ILE H H 1 7.678 0.005 . 1 . . . . 87 ILE HN . 7071 1 626 . 1 1 87 87 ILE HA H 1 4.055 0.005 . 1 . . . . 87 ILE HA . 7071 1 627 . 1 1 87 87 ILE HB H 1 1.792 0.005 . 1 . . . . 87 ILE HB . 7071 1 628 . 1 1 87 87 ILE C C 13 175.349 0.02 . 1 . . . . 87 ILE C . 7071 1 629 . 1 1 87 87 ILE CA C 13 62.852 0.02 . 1 . . . . 87 ILE CA . 7071 1 630 . 1 1 87 87 ILE CB C 13 39.643 0.02 . 1 . . . . 87 ILE CB . 7071 1 631 . 1 1 87 87 ILE N N 15 126.424 0.02 . 1 . . . . 87 ILE N . 7071 1 stop_ save_