data_5105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5105 _Entry.Title ; An NMR Approach to Structural Proteomics ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-08-14 _Entry.Accession_date 2001-08-14 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _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 Adelinda Yee . . . 5105 2 Xiaoqing Chang . . . 5105 3 Antonio Pineda-Lucena . . . 5105 4 Bin Wu . . . 5105 5 Anthony Semesi . . . 5105 6 Brian Le . . . 5105 7 Theresa Ramelot . . . 5105 8 Gregory Lee . M. . 5105 9 Sudeepa Bhattacharyya . . . 5105 10 Pablo Gutierrez . . . 5105 11 Aleksej Denisov . . . 5105 12 Chang-Hun Lee . . . 5105 13 John Cort . R. . 5105 14 Guennadi Kozlov . . . 5105 15 Jack Liao . . . 5105 16 Grzegorz Finak . . . 5105 17 Limin Chen . . . 5105 18 David Wishart . . . 5105 19 Weontae Lee . . . 5105 20 Lawrence McIntosh . P. . 5105 21 Kalle Gehring . . . 5105 22 Michael Kennedy . A. . 5105 23 Aled Edwards . M. . 5105 24 Cheryl Arrowsmith . H. . 5105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 433 5105 '13C chemical shifts' 209 5105 '15N chemical shifts' 66 5105 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 1 . . 2002-04-08 2001-08-14 original author . 5105 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5105 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21843898 _Citation.DOI . _Citation.PubMed_ID 11854485 _Citation.Full_citation . _Citation.Title 'An NMR Approach to Structural Proteomics' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 4 _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 1825 _Citation.Page_last 1830 _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 Adelinda Yee . . . 5105 1 2 Xiaoqing Chang . . . 5105 1 3 Antonio Pineda-Lucena . . . 5105 1 4 Bin Wu . . . 5105 1 5 Anthony Semesi . . . 5105 1 6 Brian Le . . . 5105 1 7 Theresa Ramelot . . . 5105 1 8 Gregory Lee . M. . 5105 1 9 Sudeepa Bhattacharyya . . . 5105 1 10 Pablo Gutierrez . . . 5105 1 11 Aleksej Denisov . . . 5105 1 12 Chang-Hun Lee . . . 5105 1 13 John Cort . R. . 5105 1 14 Guennadi Kozlov . . . 5105 1 15 Jack Liao . . . 5105 1 16 Grzegorz Finak . . . 5105 1 17 Limin Chen . . . 5105 1 18 David Wishart . . . 5105 1 19 Weontae Lee . . . 5105 1 20 Lawrence McIntosh . P. . 5105 1 21 Kalle Gehring . . . 5105 1 22 Michael Kennedy . A. . 5105 1 23 Aled Edwards . M. . 5105 1 24 Cheryl Arrowsmith . H. . 5105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EC298 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EC298 _Assembly.Entry_ID 5105 _Assembly.ID 1 _Assembly.Name EC298 _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 'not present' _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 5105 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 EC298 1 $EC298 . . . native . . . . . 5105 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JYG . . . . . . 5105 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID EC298 system 5105 1 EC298 abbreviation 5105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EC298 _Entity.Sf_category entity _Entity.Sf_framecode EC298 _Entity.Entry_ID 5105 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EC298 _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 ; MNKDEAGGNWKQFKGKVKEQ WGKLTDDDMTIIEGKRDQLV GKIQERYGYQKDQAEKEVVD WETRNEYRW ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RYK . "Solution Nmr Structure Protein Yjbj From Escherichia Coli. Northeast Structural Genomics Consortium Target Et93; Ontario Centre" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 2 no DBJ BAB38451 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 3 no DBJ BAE78047 . "predicted stress response protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 4 no DBJ BAG79861 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 71 100.00 100.00 7.40e-40 . . . . 5105 1 5 no DBJ BAI28306 . "predicted stress response protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 6 no DBJ BAI33483 . "predicted stress response protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 7 no EMBL CAQ34394 . "predicted stress response protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 8 no EMBL CAR01024 . "putative stress response protein [Escherichia coli IAI1]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 9 no EMBL CAR15697 . "putative stress response protein [Escherichia coli UMN026]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 10 no EMBL CAV01331 . "putative stress response protein [Escherichia coli 55989]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 11 no EMBL CBG37238 . "putative general stress response protein [Escherichia coli 042]" . . . . . 100.00 71 100.00 100.00 7.40e-40 . . . . 5105 1 12 no GB AAC43139 . "ORF_o69 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 13 no GB AAC77015 . "stress-induced protein, UPF0337 family [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 14 no GB AAG59244 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 15 no GB AAN45582 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 16 no GB AAP18617 . "hypothetical protein S3571 [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 17 no REF NP_290679 . "stress-response protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 18 no REF NP_313055 . "stress-response protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 19 no REF NP_418469 . "stress-induced protein, UPF0337 family [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 20 no REF NP_709875 . "hypothetical protein SF4160 [Shigella flexneri 2a str. 301]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 21 no REF NP_838806 . "stress-response protein [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 22 no SP P68206 . "RecName: Full=UPF0337 protein YjbJ [Escherichia coli K-12]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 23 no SP P68207 . "RecName: Full=UPF0337 protein YjbJ [Escherichia coli O157:H7]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 24 no SP P68208 . "RecName: Full=UPF0337 protein YjbJ [Shigella flexneri]" . . . . . 100.00 69 100.00 100.00 7.41e-40 . . . . 5105 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EC298 common 5105 1 EC298 abbreviation 5105 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 . MET . 5105 1 2 . ASN . 5105 1 3 . LYS . 5105 1 4 . ASP . 5105 1 5 . GLU . 5105 1 6 . ALA . 5105 1 7 . GLY . 5105 1 8 . GLY . 5105 1 9 . ASN . 5105 1 10 . TRP . 5105 1 11 . LYS . 5105 1 12 . GLN . 5105 1 13 . PHE . 5105 1 14 . LYS . 5105 1 15 . GLY . 5105 1 16 . LYS . 5105 1 17 . VAL . 5105 1 18 . LYS . 5105 1 19 . GLU . 5105 1 20 . GLN . 5105 1 21 . TRP . 5105 1 22 . GLY . 5105 1 23 . LYS . 5105 1 24 . LEU . 5105 1 25 . THR . 5105 1 26 . ASP . 5105 1 27 . ASP . 5105 1 28 . ASP . 5105 1 29 . MET . 5105 1 30 . THR . 5105 1 31 . ILE . 5105 1 32 . ILE . 5105 1 33 . GLU . 5105 1 34 . GLY . 5105 1 35 . LYS . 5105 1 36 . ARG . 5105 1 37 . ASP . 5105 1 38 . GLN . 5105 1 39 . LEU . 5105 1 40 . VAL . 5105 1 41 . GLY . 5105 1 42 . LYS . 5105 1 43 . ILE . 5105 1 44 . GLN . 5105 1 45 . GLU . 5105 1 46 . ARG . 5105 1 47 . TYR . 5105 1 48 . GLY . 5105 1 49 . TYR . 5105 1 50 . GLN . 5105 1 51 . LYS . 5105 1 52 . ASP . 5105 1 53 . GLN . 5105 1 54 . ALA . 5105 1 55 . GLU . 5105 1 56 . LYS . 5105 1 57 . GLU . 5105 1 58 . VAL . 5105 1 59 . VAL . 5105 1 60 . ASP . 5105 1 61 . TRP . 5105 1 62 . GLU . 5105 1 63 . THR . 5105 1 64 . ARG . 5105 1 65 . ASN . 5105 1 66 . GLU . 5105 1 67 . TYR . 5105 1 68 . ARG . 5105 1 69 . TRP . 5105 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5105 1 . ASN 2 2 5105 1 . LYS 3 3 5105 1 . ASP 4 4 5105 1 . GLU 5 5 5105 1 . ALA 6 6 5105 1 . GLY 7 7 5105 1 . GLY 8 8 5105 1 . ASN 9 9 5105 1 . TRP 10 10 5105 1 . LYS 11 11 5105 1 . GLN 12 12 5105 1 . PHE 13 13 5105 1 . LYS 14 14 5105 1 . GLY 15 15 5105 1 . LYS 16 16 5105 1 . VAL 17 17 5105 1 . LYS 18 18 5105 1 . GLU 19 19 5105 1 . GLN 20 20 5105 1 . TRP 21 21 5105 1 . GLY 22 22 5105 1 . LYS 23 23 5105 1 . LEU 24 24 5105 1 . THR 25 25 5105 1 . ASP 26 26 5105 1 . ASP 27 27 5105 1 . ASP 28 28 5105 1 . MET 29 29 5105 1 . THR 30 30 5105 1 . ILE 31 31 5105 1 . ILE 32 32 5105 1 . GLU 33 33 5105 1 . GLY 34 34 5105 1 . LYS 35 35 5105 1 . ARG 36 36 5105 1 . ASP 37 37 5105 1 . GLN 38 38 5105 1 . LEU 39 39 5105 1 . VAL 40 40 5105 1 . GLY 41 41 5105 1 . LYS 42 42 5105 1 . ILE 43 43 5105 1 . GLN 44 44 5105 1 . GLU 45 45 5105 1 . ARG 46 46 5105 1 . TYR 47 47 5105 1 . GLY 48 48 5105 1 . TYR 49 49 5105 1 . GLN 50 50 5105 1 . LYS 51 51 5105 1 . ASP 52 52 5105 1 . GLN 53 53 5105 1 . ALA 54 54 5105 1 . GLU 55 55 5105 1 . LYS 56 56 5105 1 . GLU 57 57 5105 1 . VAL 58 58 5105 1 . VAL 59 59 5105 1 . ASP 60 60 5105 1 . TRP 61 61 5105 1 . GLU 62 62 5105 1 . THR 63 63 5105 1 . ARG 64 64 5105 1 . ASN 65 65 5105 1 . GLU 66 66 5105 1 . TYR 67 67 5105 1 . ARG 68 68 5105 1 . TRP 69 69 5105 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 5105 _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 $EC298 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5105 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 5105 _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 $EC298 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_1 _Sample.Entry_ID 5105 _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 EC298 '[U-13C; U-15N]' . . 1 $EC298 . . 1.0 . . mM . . . . 5105 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-COND_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-COND_1 _Sample_condition_list.Entry_ID 5105 _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 0.2 n/a 5105 1 temperature 298 1 K 5105 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5105 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5105 _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 NMR_spectrometer_1 VARIAN INOVA . 500 . . . 5105 1 2 NMR_spectrometer_2 VARIAN INOVA . 600 . . . 5105 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 5105 _Experiment_list.ID 1 _Experiment_list.Details . 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 5105 _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 1.0 . . . . . . . . . 5105 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5105 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5105 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_CS_EC298 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_EC298 _Assigned_chem_shift_list.Entry_ID 5105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-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 $SAMPLE_1 . 5105 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 MET CA C 13 55.5 0.05 . 1 . . . . . . . . 5105 1 2 . 1 1 1 1 MET HA H 1 4.50 0.02 . 1 . . . . . . . . 5105 1 3 . 1 1 1 1 MET CB C 13 31.7 0.05 . 1 . . . . . . . . 5105 1 4 . 1 1 1 1 MET CG C 13 29.8 0.05 . 1 . . . . . . . . 5105 1 5 . 1 1 2 2 ASN N N 15 120.7 0.05 . 1 . . . . . . . . 5105 1 6 . 1 1 2 2 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 5105 1 7 . 1 1 2 2 ASN CA C 13 53.4 0.05 . 1 . . . . . . . . 5105 1 8 . 1 1 2 2 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 5105 1 9 . 1 1 2 2 ASN CB C 13 39.0 0.05 . 1 . . . . . . . . 5105 1 10 . 1 1 2 2 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5105 1 11 . 1 1 2 2 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 5105 1 12 . 1 1 3 3 LYS N N 15 122.1 0.05 . 1 . . . . . . . . 5105 1 13 . 1 1 3 3 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 5105 1 14 . 1 1 3 3 LYS CA C 13 57.1 0.05 . 1 . . . . . . . . 5105 1 15 . 1 1 3 3 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5105 1 16 . 1 1 3 3 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 5105 1 17 . 1 1 3 3 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5105 1 18 . 1 1 3 3 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5105 1 19 . 1 1 3 3 LYS CG C 13 24.8 0.05 . 1 . . . . . . . . 5105 1 20 . 1 1 3 3 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5105 1 21 . 1 1 3 3 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 5105 1 22 . 1 1 3 3 LYS CD C 13 29.2 0.05 . 1 . . . . . . . . 5105 1 23 . 1 1 3 3 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5105 1 24 . 1 1 3 3 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5105 1 25 . 1 1 3 3 LYS CE C 13 41.0 0.05 . 1 . . . . . . . . 5105 1 26 . 1 1 3 3 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5105 1 27 . 1 1 3 3 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 5105 1 28 . 1 1 4 4 ASP N N 15 121.3 0.05 . 1 . . . . . . . . 5105 1 29 . 1 1 4 4 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5105 1 30 . 1 1 4 4 ASP CA C 13 54.6 0.05 . 1 . . . . . . . . 5105 1 31 . 1 1 4 4 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 5105 1 32 . 1 1 4 4 ASP CB C 13 41.1 0.05 . 1 . . . . . . . . 5105 1 33 . 1 1 4 4 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 5105 1 34 . 1 1 4 4 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5105 1 35 . 1 1 5 5 GLU N N 15 121.3 0.05 . 1 . . . . . . . . 5105 1 36 . 1 1 5 5 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 5105 1 37 . 1 1 5 5 GLU CA C 13 56.7 0.05 . 1 . . . . . . . . 5105 1 38 . 1 1 5 5 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 5105 1 39 . 1 1 5 5 GLU CB C 13 30.6 0.05 . 1 . . . . . . . . 5105 1 40 . 1 1 5 5 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5105 1 41 . 1 1 5 5 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5105 1 42 . 1 1 5 5 GLU CG C 13 36.2 0.05 . 1 . . . . . . . . 5105 1 43 . 1 1 5 5 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5105 1 44 . 1 1 5 5 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5105 1 45 . 1 1 6 6 ALA N N 15 124.8 0.05 . 1 . . . . . . . . 5105 1 46 . 1 1 6 6 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5105 1 47 . 1 1 6 6 ALA CA C 13 53.1 0.05 . 1 . . . . . . . . 5105 1 48 . 1 1 6 6 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5105 1 49 . 1 1 6 6 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5105 1 50 . 1 1 6 6 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5105 1 51 . 1 1 6 6 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5105 1 52 . 1 1 6 6 ALA CB C 13 19.2 0.05 . 1 . . . . . . . . 5105 1 53 . 1 1 7 7 GLY N N 15 108.0 0.05 . 1 . . . . . . . . 5105 1 54 . 1 1 7 7 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 5105 1 55 . 1 1 7 7 GLY CA C 13 45.6 0.05 . 1 . . . . . . . . 5105 1 56 . 1 1 7 7 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 5105 1 57 . 1 1 7 7 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 5105 1 58 . 1 1 8 8 GLY N N 15 108.8 0.05 . 1 . . . . . . . . 5105 1 59 . 1 1 8 8 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 5105 1 60 . 1 1 8 8 GLY CA C 13 46.3 0.05 . 1 . . . . . . . . 5105 1 61 . 1 1 8 8 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 5105 1 62 . 1 1 8 8 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 5105 1 63 . 1 1 9 9 ASN N N 15 120.1 0.05 . 1 . . . . . . . . 5105 1 64 . 1 1 9 9 ASN H H 1 8.87 0.02 . 1 . . . . . . . . 5105 1 65 . 1 1 9 9 ASN CA C 13 54.1 0.05 . 1 . . . . . . . . 5105 1 66 . 1 1 9 9 ASN HA H 1 4.94 0.02 . 1 . . . . . . . . 5105 1 67 . 1 1 9 9 ASN CB C 13 38.6 0.05 . 1 . . . . . . . . 5105 1 68 . 1 1 9 9 ASN HB2 H 1 3.03 0.02 . 1 . . . . . . . . 5105 1 69 . 1 1 9 9 ASN HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5105 1 70 . 1 1 10 10 TRP N N 15 122.7 0.05 . 1 . . . . . . . . 5105 1 71 . 1 1 10 10 TRP H H 1 8.54 0.02 . 1 . . . . . . . . 5105 1 72 . 1 1 10 10 TRP CA C 13 59.8 0.05 . 1 . . . . . . . . 5105 1 73 . 1 1 10 10 TRP HA H 1 4.66 0.02 . 1 . . . . . . . . 5105 1 74 . 1 1 10 10 TRP CB C 13 29.7 0.05 . 1 . . . . . . . . 5105 1 75 . 1 1 10 10 TRP HB2 H 1 3.52 0.02 . 2 . . . . . . . . 5105 1 76 . 1 1 10 10 TRP HB3 H 1 3.28 0.02 . 2 . . . . . . . . 5105 1 77 . 1 1 11 11 LYS N N 15 117.4 0.05 . 1 . . . . . . . . 5105 1 78 . 1 1 11 11 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5105 1 79 . 1 1 11 11 LYS CA C 13 60.4 0.05 . 1 . . . . . . . . 5105 1 80 . 1 1 11 11 LYS HA H 1 3.72 0.02 . 1 . . . . . . . . 5105 1 81 . 1 1 11 11 LYS CB C 13 32.0 0.05 . 1 . . . . . . . . 5105 1 82 . 1 1 11 11 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5105 1 83 . 1 1 11 11 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5105 1 84 . 1 1 11 11 LYS CG C 13 25.5 0.05 . 1 . . . . . . . . 5105 1 85 . 1 1 11 11 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5105 1 86 . 1 1 11 11 LYS HG3 H 1 1.40 0.02 . 2 . . . . . . . . 5105 1 87 . 1 1 11 11 LYS CD C 13 29.4 0.05 . 1 . . . . . . . . 5105 1 88 . 1 1 11 11 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 5105 1 89 . 1 1 11 11 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 5105 1 90 . 1 1 11 11 LYS CE C 13 42.1 0.05 . 1 . . . . . . . . 5105 1 91 . 1 1 11 11 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 5105 1 92 . 1 1 11 11 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 5105 1 93 . 1 1 12 12 GLN N N 15 115.8 0.05 . 1 . . . . . . . . 5105 1 94 . 1 1 12 12 GLN H H 1 7.77 0.02 . 1 . . . . . . . . 5105 1 95 . 1 1 12 12 GLN CA C 13 57.4 0.05 . 1 . . . . . . . . 5105 1 96 . 1 1 12 12 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 5105 1 97 . 1 1 12 12 GLN CB C 13 28.9 0.05 . 1 . . . . . . . . 5105 1 98 . 1 1 12 12 GLN HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5105 1 99 . 1 1 12 12 GLN HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5105 1 100 . 1 1 12 12 GLN CG C 13 34.1 0.05 . 1 . . . . . . . . 5105 1 101 . 1 1 12 12 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 5105 1 102 . 1 1 12 12 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 5105 1 103 . 1 1 13 13 PHE N N 15 118.0 0.05 . 1 . . . . . . . . 5105 1 104 . 1 1 13 13 PHE H H 1 8.04 0.02 . 1 . . . . . . . . 5105 1 105 . 1 1 13 13 PHE CA C 13 59.9 0.05 . 1 . . . . . . . . 5105 1 106 . 1 1 13 13 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 5105 1 107 . 1 1 13 13 PHE CB C 13 40.6 0.05 . 1 . . . . . . . . 5105 1 108 . 1 1 13 13 PHE HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5105 1 109 . 1 1 13 13 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5105 1 110 . 1 1 14 14 LYS N N 15 121.3 0.05 . 1 . . . . . . . . 5105 1 111 . 1 1 14 14 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 5105 1 112 . 1 1 14 14 LYS CA C 13 60.2 0.05 . 1 . . . . . . . . 5105 1 113 . 1 1 14 14 LYS HA H 1 3.23 0.02 . 1 . . . . . . . . 5105 1 114 . 1 1 14 14 LYS CB C 13 31.6 0.05 . 1 . . . . . . . . 5105 1 115 . 1 1 14 14 LYS HB2 H 1 1.32 0.02 . 2 . . . . . . . . 5105 1 116 . 1 1 14 14 LYS HB3 H 1 1.07 0.02 . 2 . . . . . . . . 5105 1 117 . 1 1 14 14 LYS CG C 13 24.4 0.05 . 1 . . . . . . . . 5105 1 118 . 1 1 14 14 LYS HG2 H 1 1.22 0.02 . 2 . . . . . . . . 5105 1 119 . 1 1 14 14 LYS HG3 H 1 1.09 0.02 . 2 . . . . . . . . 5105 1 120 . 1 1 14 14 LYS CD C 13 30.1 0.05 . 1 . . . . . . . . 5105 1 121 . 1 1 14 14 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 5105 1 122 . 1 1 14 14 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 5105 1 123 . 1 1 14 14 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5105 1 124 . 1 1 14 14 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5105 1 125 . 1 1 14 14 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5105 1 126 . 1 1 15 15 GLY N N 15 106.6 0.05 . 1 . . . . . . . . 5105 1 127 . 1 1 15 15 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5105 1 128 . 1 1 15 15 GLY CA C 13 46.8 0.05 . 1 . . . . . . . . 5105 1 129 . 1 1 15 15 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 5105 1 130 . 1 1 15 15 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 5105 1 131 . 1 1 16 16 LYS N N 15 121.1 0.05 . 1 . . . . . . . . 5105 1 132 . 1 1 16 16 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 5105 1 133 . 1 1 16 16 LYS CA C 13 58.3 0.05 . 1 . . . . . . . . 5105 1 134 . 1 1 16 16 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 5105 1 135 . 1 1 16 16 LYS CB C 13 32.7 0.05 . 1 . . . . . . . . 5105 1 136 . 1 1 16 16 LYS HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5105 1 137 . 1 1 16 16 LYS HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5105 1 138 . 1 1 16 16 LYS CG C 13 25.6 0.05 . 1 . . . . . . . . 5105 1 139 . 1 1 16 16 LYS HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5105 1 140 . 1 1 16 16 LYS HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5105 1 141 . 1 1 16 16 LYS CD C 13 28.8 0.05 . 1 . . . . . . . . 5105 1 142 . 1 1 16 16 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 5105 1 143 . 1 1 16 16 LYS HD3 H 1 1.58 0.02 . 2 . . . . . . . . 5105 1 144 . 1 1 16 16 LYS CE C 13 42.0 0.05 . 1 . . . . . . . . 5105 1 145 . 1 1 16 16 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5105 1 146 . 1 1 16 16 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5105 1 147 . 1 1 17 17 VAL N N 15 123.6 0.05 . 1 . . . . . . . . 5105 1 148 . 1 1 17 17 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 5105 1 149 . 1 1 17 17 VAL CA C 13 66.8 0.05 . 1 . . . . . . . . 5105 1 150 . 1 1 17 17 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 5105 1 151 . 1 1 17 17 VAL CB C 13 31.6 0.05 . 1 . . . . . . . . 5105 1 152 . 1 1 17 17 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 5105 1 153 . 1 1 17 17 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 5105 1 154 . 1 1 17 17 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 5105 1 155 . 1 1 17 17 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5105 1 156 . 1 1 17 17 VAL HG21 H 1 1.02 0.02 . 2 . . . . . . . . 5105 1 157 . 1 1 17 17 VAL HG22 H 1 1.02 0.02 . 2 . . . . . . . . 5105 1 158 . 1 1 17 17 VAL HG23 H 1 1.02 0.02 . 2 . . . . . . . . 5105 1 159 . 1 1 17 17 VAL CG1 C 13 23.8 0.05 . 1 . . . . . . . . 5105 1 160 . 1 1 17 17 VAL CG2 C 13 23.0 0.05 . 1 . . . . . . . . 5105 1 161 . 1 1 18 18 LYS N N 15 119.5 0.05 . 1 . . . . . . . . 5105 1 162 . 1 1 18 18 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 5105 1 163 . 1 1 18 18 LYS CA C 13 58.4 0.05 . 1 . . . . . . . . 5105 1 164 . 1 1 18 18 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 5105 1 165 . 1 1 18 18 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . 5105 1 166 . 1 1 18 18 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5105 1 167 . 1 1 18 18 LYS HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5105 1 168 . 1 1 18 18 LYS CG C 13 25.5 0.05 . 1 . . . . . . . . 5105 1 169 . 1 1 18 18 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5105 1 170 . 1 1 18 18 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5105 1 171 . 1 1 18 18 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 5105 1 172 . 1 1 18 18 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 5105 1 173 . 1 1 18 18 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 5105 1 174 . 1 1 18 18 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5105 1 175 . 1 1 18 18 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5105 1 176 . 1 1 18 18 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5105 1 177 . 1 1 19 19 GLU N N 15 115.6 0.05 . 1 . . . . . . . . 5105 1 178 . 1 1 19 19 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 5105 1 179 . 1 1 19 19 GLU CA C 13 58.5 0.05 . 1 . . . . . . . . 5105 1 180 . 1 1 19 19 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 5105 1 181 . 1 1 19 19 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 5105 1 182 . 1 1 19 19 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5105 1 183 . 1 1 19 19 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5105 1 184 . 1 1 19 19 GLU CG C 13 36.2 0.05 . 1 . . . . . . . . 5105 1 185 . 1 1 19 19 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5105 1 186 . 1 1 19 19 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 5105 1 187 . 1 1 20 20 GLN N N 15 118.5 0.05 . 1 . . . . . . . . 5105 1 188 . 1 1 20 20 GLN H H 1 7.19 0.02 . 1 . . . . . . . . 5105 1 189 . 1 1 20 20 GLN CA C 13 57.1 0.05 . 1 . . . . . . . . 5105 1 190 . 1 1 20 20 GLN HA H 1 3.77 0.02 . 1 . . . . . . . . 5105 1 191 . 1 1 20 20 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 5105 1 192 . 1 1 20 20 GLN HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5105 1 193 . 1 1 20 20 GLN HB3 H 1 1.14 0.02 . 2 . . . . . . . . 5105 1 194 . 1 1 20 20 GLN CG C 13 30.4 0.05 . 1 . . . . . . . . 5105 1 195 . 1 1 20 20 GLN HG2 H 1 0.49 0.02 . 2 . . . . . . . . 5105 1 196 . 1 1 20 20 GLN HG3 H 1 0.10 0.02 . 2 . . . . . . . . 5105 1 197 . 1 1 21 21 TRP N N 15 119.5 0.05 . 1 . . . . . . . . 5105 1 198 . 1 1 21 21 TRP H H 1 8.11 0.02 . 1 . . . . . . . . 5105 1 199 . 1 1 21 21 TRP CA C 13 57.9 0.05 . 1 . . . . . . . . 5105 1 200 . 1 1 21 21 TRP HA H 1 5.08 0.02 . 1 . . . . . . . . 5105 1 201 . 1 1 21 21 TRP CB C 13 27.4 0.05 . 1 . . . . . . . . 5105 1 202 . 1 1 21 21 TRP HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5105 1 203 . 1 1 21 21 TRP HB3 H 1 3.22 0.02 . 2 . . . . . . . . 5105 1 204 . 1 1 22 22 GLY N N 15 107.9 0.05 . 1 . . . . . . . . 5105 1 205 . 1 1 22 22 GLY H H 1 7.98 0.02 . 1 . . . . . . . . 5105 1 206 . 1 1 22 22 GLY CA C 13 47.3 0.05 . 1 . . . . . . . . 5105 1 207 . 1 1 22 22 GLY HA2 H 1 4.32 0.02 . 2 . . . . . . . . 5105 1 208 . 1 1 22 22 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 5105 1 209 . 1 1 23 23 LYS N N 15 116.1 0.05 . 1 . . . . . . . . 5105 1 210 . 1 1 23 23 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 5105 1 211 . 1 1 23 23 LYS CA C 13 57.0 0.05 . 1 . . . . . . . . 5105 1 212 . 1 1 23 23 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5105 1 213 . 1 1 23 23 LYS CB C 13 33.3 0.05 . 1 . . . . . . . . 5105 1 214 . 1 1 23 23 LYS HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5105 1 215 . 1 1 23 23 LYS HB3 H 1 1.08 0.02 . 2 . . . . . . . . 5105 1 216 . 1 1 23 23 LYS CG C 13 26.0 0.05 . 1 . . . . . . . . 5105 1 217 . 1 1 23 23 LYS HG2 H 1 1.26 0.02 . 1 . . . . . . . . 5105 1 218 . 1 1 23 23 LYS HG3 H 1 1.26 0.02 . 1 . . . . . . . . 5105 1 219 . 1 1 23 23 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 5105 1 220 . 1 1 23 23 LYS HD2 H 1 1.10 0.02 . 2 . . . . . . . . 5105 1 221 . 1 1 23 23 LYS HD3 H 1 0.60 0.02 . 2 . . . . . . . . 5105 1 222 . 1 1 23 23 LYS CE C 13 42.0 0.05 . 1 . . . . . . . . 5105 1 223 . 1 1 23 23 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 5105 1 224 . 1 1 23 23 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 5105 1 225 . 1 1 24 24 LEU N N 15 117.7 0.05 . 1 . . . . . . . . 5105 1 226 . 1 1 24 24 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5105 1 227 . 1 1 24 24 LEU CA C 13 55.2 0.05 . 1 . . . . . . . . 5105 1 228 . 1 1 24 24 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 5105 1 229 . 1 1 24 24 LEU CB C 13 41.5 0.05 . 1 . . . . . . . . 5105 1 230 . 1 1 24 24 LEU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5105 1 231 . 1 1 24 24 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5105 1 232 . 1 1 24 24 LEU CG C 13 28.1 0.05 . 1 . . . . . . . . 5105 1 233 . 1 1 24 24 LEU HG H 1 2.06 0.02 . 1 . . . . . . . . 5105 1 234 . 1 1 24 24 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 5105 1 235 . 1 1 24 24 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 5105 1 236 . 1 1 24 24 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 5105 1 237 . 1 1 24 24 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5105 1 238 . 1 1 24 24 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5105 1 239 . 1 1 24 24 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5105 1 240 . 1 1 24 24 LEU CD1 C 13 26.8 0.05 . 1 . . . . . . . . 5105 1 241 . 1 1 24 24 LEU CD2 C 13 23.6 0.05 . 1 . . . . . . . . 5105 1 242 . 1 1 25 25 THR N N 15 115.0 0.05 . 1 . . . . . . . . 5105 1 243 . 1 1 25 25 THR H H 1 9.25 0.02 . 1 . . . . . . . . 5105 1 244 . 1 1 25 25 THR CA C 13 59.9 0.05 . 1 . . . . . . . . 5105 1 245 . 1 1 25 25 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 5105 1 246 . 1 1 25 25 THR CB C 13 72.0 0.05 . 1 . . . . . . . . 5105 1 247 . 1 1 25 25 THR HB H 1 4.77 0.02 . 1 . . . . . . . . 5105 1 248 . 1 1 25 25 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 5105 1 249 . 1 1 25 25 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 5105 1 250 . 1 1 25 25 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 5105 1 251 . 1 1 25 25 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 5105 1 252 . 1 1 26 26 ASP N N 15 120.4 0.05 . 1 . . . . . . . . 5105 1 253 . 1 1 26 26 ASP H H 1 8.89 0.02 . 1 . . . . . . . . 5105 1 254 . 1 1 26 26 ASP CA C 13 58.4 0.05 . 1 . . . . . . . . 5105 1 255 . 1 1 26 26 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5105 1 256 . 1 1 26 26 ASP CB C 13 40.0 0.05 . 1 . . . . . . . . 5105 1 257 . 1 1 26 26 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 5105 1 258 . 1 1 26 26 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5105 1 259 . 1 1 27 27 ASP N N 15 119.8 0.05 . 1 . . . . . . . . 5105 1 260 . 1 1 27 27 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5105 1 261 . 1 1 27 27 ASP CA C 13 57.4 0.05 . 1 . . . . . . . . 5105 1 262 . 1 1 27 27 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 5105 1 263 . 1 1 27 27 ASP CB C 13 40.5 0.05 . 1 . . . . . . . . 5105 1 264 . 1 1 27 27 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5105 1 265 . 1 1 27 27 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5105 1 266 . 1 1 28 28 ASP N N 15 121.5 0.05 . 1 . . . . . . . . 5105 1 267 . 1 1 28 28 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 5105 1 268 . 1 1 28 28 ASP CA C 13 57.9 0.05 . 1 . . . . . . . . 5105 1 269 . 1 1 28 28 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 5105 1 270 . 1 1 28 28 ASP CB C 13 40.8 0.05 . 1 . . . . . . . . 5105 1 271 . 1 1 28 28 ASP HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5105 1 272 . 1 1 28 28 ASP HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5105 1 273 . 1 1 29 29 MET N N 15 115.6 0.05 . 1 . . . . . . . . 5105 1 274 . 1 1 29 29 MET H H 1 8.10 0.02 . 1 . . . . . . . . 5105 1 275 . 1 1 29 29 MET CA C 13 57.6 0.05 . 1 . . . . . . . . 5105 1 276 . 1 1 29 29 MET HA H 1 4.57 0.02 . 1 . . . . . . . . 5105 1 277 . 1 1 29 29 MET CB C 13 30.8 0.05 . 1 . . . . . . . . 5105 1 278 . 1 1 29 29 MET HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5105 1 279 . 1 1 29 29 MET HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5105 1 280 . 1 1 29 29 MET CG C 13 31.8 0.05 . 1 . . . . . . . . 5105 1 281 . 1 1 29 29 MET HG2 H 1 2.84 0.02 . 1 . . . . . . . . 5105 1 282 . 1 1 29 29 MET HG3 H 1 2.84 0.02 . 1 . . . . . . . . 5105 1 283 . 1 1 29 29 MET HE1 H 1 2.07 0.02 . 1 . . . . . . . . 5105 1 284 . 1 1 29 29 MET HE2 H 1 2.07 0.02 . 1 . . . . . . . . 5105 1 285 . 1 1 29 29 MET HE3 H 1 2.07 0.02 . 1 . . . . . . . . 5105 1 286 . 1 1 29 29 MET CE C 13 17.2 0.05 . 1 . . . . . . . . 5105 1 287 . 1 1 30 30 THR N N 15 117.2 0.05 . 1 . . . . . . . . 5105 1 288 . 1 1 30 30 THR H H 1 8.04 0.02 . 1 . . . . . . . . 5105 1 289 . 1 1 30 30 THR CA C 13 65.7 0.05 . 1 . . . . . . . . 5105 1 290 . 1 1 30 30 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 5105 1 291 . 1 1 30 30 THR CB C 13 69.0 0.05 . 1 . . . . . . . . 5105 1 292 . 1 1 30 30 THR HB H 1 4.49 0.02 . 1 . . . . . . . . 5105 1 293 . 1 1 30 30 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . 5105 1 294 . 1 1 30 30 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . 5105 1 295 . 1 1 30 30 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . 5105 1 296 . 1 1 30 30 THR CG2 C 13 22.3 0.05 . 1 . . . . . . . . 5105 1 297 . 1 1 31 31 ILE N N 15 121.7 0.05 . 1 . . . . . . . . 5105 1 298 . 1 1 31 31 ILE H H 1 7.66 0.02 . 1 . . . . . . . . 5105 1 299 . 1 1 31 31 ILE CA C 13 63.1 0.05 . 1 . . . . . . . . 5105 1 300 . 1 1 31 31 ILE HA H 1 3.97 0.02 . 1 . . . . . . . . 5105 1 301 . 1 1 31 31 ILE CB C 13 38.4 0.05 . 1 . . . . . . . . 5105 1 302 . 1 1 31 31 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 5105 1 303 . 1 1 31 31 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5105 1 304 . 1 1 31 31 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5105 1 305 . 1 1 31 31 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5105 1 306 . 1 1 31 31 ILE CG2 C 13 17.4 0.05 . 1 . . . . . . . . 5105 1 307 . 1 1 31 31 ILE CG1 C 13 28.9 0.05 . 1 . . . . . . . . 5105 1 308 . 1 1 31 31 ILE HG12 H 1 1.65 0.02 . 2 . . . . . . . . 5105 1 309 . 1 1 31 31 ILE HG13 H 1 1.34 0.02 . 2 . . . . . . . . 5105 1 310 . 1 1 31 31 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5105 1 311 . 1 1 31 31 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5105 1 312 . 1 1 31 31 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5105 1 313 . 1 1 31 31 ILE CD1 C 13 13.1 0.05 . 1 . . . . . . . . 5105 1 314 . 1 1 32 32 ILE N N 15 119.2 0.05 . 1 . . . . . . . . 5105 1 315 . 1 1 32 32 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 5105 1 316 . 1 1 32 32 ILE CA C 13 64.8 0.05 . 1 . . . . . . . . 5105 1 317 . 1 1 32 32 ILE HA H 1 3.49 0.02 . 1 . . . . . . . . 5105 1 318 . 1 1 32 32 ILE CB C 13 39.1 0.05 . 1 . . . . . . . . 5105 1 319 . 1 1 32 32 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5105 1 320 . 1 1 32 32 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5105 1 321 . 1 1 32 32 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5105 1 322 . 1 1 32 32 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5105 1 323 . 1 1 32 32 ILE CG2 C 13 18.0 0.05 . 1 . . . . . . . . 5105 1 324 . 1 1 32 32 ILE CG1 C 13 29.3 0.05 . 1 . . . . . . . . 5105 1 325 . 1 1 32 32 ILE HG12 H 1 0.65 0.02 . 1 . . . . . . . . 5105 1 326 . 1 1 32 32 ILE HG13 H 1 0.65 0.02 . 1 . . . . . . . . 5105 1 327 . 1 1 32 32 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5105 1 328 . 1 1 32 32 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5105 1 329 . 1 1 32 32 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5105 1 330 . 1 1 32 32 ILE CD1 C 13 14.9 0.05 . 1 . . . . . . . . 5105 1 331 . 1 1 33 33 GLU N N 15 113.2 0.05 . 1 . . . . . . . . 5105 1 332 . 1 1 33 33 GLU H H 1 7.37 0.02 . 1 . . . . . . . . 5105 1 333 . 1 1 33 33 GLU CA C 13 56.6 0.05 . 1 . . . . . . . . 5105 1 334 . 1 1 33 33 GLU HA H 1 3.47 0.02 . 1 . . . . . . . . 5105 1 335 . 1 1 33 33 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5105 1 336 . 1 1 33 33 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5105 1 337 . 1 1 33 33 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5105 1 338 . 1 1 33 33 GLU CG C 13 37.0 0.05 . 1 . . . . . . . . 5105 1 339 . 1 1 33 33 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5105 1 340 . 1 1 33 33 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5105 1 341 . 1 1 34 34 GLY CA C 13 46.3 0.05 . 1 . . . . . . . . 5105 1 342 . 1 1 34 34 GLY HA2 H 1 3.57 0.02 . 2 . . . . . . . . 5105 1 343 . 1 1 34 34 GLY HA3 H 1 2.74 0.02 . 2 . . . . . . . . 5105 1 344 . 1 1 35 35 LYS N N 15 120.6 0.05 . 1 . . . . . . . . 5105 1 345 . 1 1 35 35 LYS H H 1 7.78 0.02 . 1 . . . . . . . . 5105 1 346 . 1 1 35 35 LYS CA C 13 55.0 0.05 . 1 . . . . . . . . 5105 1 347 . 1 1 35 35 LYS HA H 1 4.59 0.02 . 1 . . . . . . . . 5105 1 348 . 1 1 35 35 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 5105 1 349 . 1 1 35 35 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5105 1 350 . 1 1 35 35 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5105 1 351 . 1 1 35 35 LYS CG C 13 24.4 0.05 . 1 . . . . . . . . 5105 1 352 . 1 1 35 35 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5105 1 353 . 1 1 35 35 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5105 1 354 . 1 1 35 35 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 5105 1 355 . 1 1 35 35 LYS HD2 H 1 1.77 0.02 . 2 . . . . . . . . 5105 1 356 . 1 1 35 35 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 5105 1 357 . 1 1 35 35 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5105 1 358 . 1 1 35 35 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5105 1 359 . 1 1 35 35 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5105 1 360 . 1 1 36 36 ARG N N 15 130.1 0.05 . 1 . . . . . . . . 5105 1 361 . 1 1 36 36 ARG H H 1 8.59 0.02 . 1 . . . . . . . . 5105 1 362 . 1 1 36 36 ARG CA C 13 59.9 0.05 . 1 . . . . . . . . 5105 1 363 . 1 1 36 36 ARG HA H 1 2.60 0.02 . 1 . . . . . . . . 5105 1 364 . 1 1 36 36 ARG CB C 13 30.3 0.05 . 1 . . . . . . . . 5105 1 365 . 1 1 36 36 ARG HB2 H 1 1.09 0.02 . 2 . . . . . . . . 5105 1 366 . 1 1 36 36 ARG HB3 H 1 0.25 0.02 . 2 . . . . . . . . 5105 1 367 . 1 1 36 36 ARG CG C 13 27.6 0.05 . 1 . . . . . . . . 5105 1 368 . 1 1 36 36 ARG HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5105 1 369 . 1 1 36 36 ARG HG3 H 1 0.27 0.02 . 2 . . . . . . . . 5105 1 370 . 1 1 36 36 ARG CD C 13 42.6 0.05 . 1 . . . . . . . . 5105 1 371 . 1 1 36 36 ARG HD2 H 1 2.78 0.02 . 2 . . . . . . . . 5105 1 372 . 1 1 36 36 ARG HD3 H 1 2.15 0.02 . 2 . . . . . . . . 5105 1 373 . 1 1 37 37 ASP N N 15 114.2 0.05 . 1 . . . . . . . . 5105 1 374 . 1 1 37 37 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5105 1 375 . 1 1 37 37 ASP CA C 13 56.6 0.05 . 1 . . . . . . . . 5105 1 376 . 1 1 37 37 ASP HA H 1 4.13 0.02 . 1 . . . . . . . . 5105 1 377 . 1 1 37 37 ASP CB C 13 39.3 0.05 . 1 . . . . . . . . 5105 1 378 . 1 1 37 37 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5105 1 379 . 1 1 37 37 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5105 1 380 . 1 1 38 38 GLN N N 15 118.3 0.05 . 1 . . . . . . . . 5105 1 381 . 1 1 38 38 GLN H H 1 7.07 0.02 . 1 . . . . . . . . 5105 1 382 . 1 1 38 38 GLN CA C 13 57.0 0.05 . 1 . . . . . . . . 5105 1 383 . 1 1 38 38 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 5105 1 384 . 1 1 38 38 GLN CB C 13 29.0 0.05 . 1 . . . . . . . . 5105 1 385 . 1 1 38 38 GLN HB2 H 1 2.29 0.02 . 2 . . . . . . . . 5105 1 386 . 1 1 38 38 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5105 1 387 . 1 1 38 38 GLN CG C 13 33.7 0.05 . 1 . . . . . . . . 5105 1 388 . 1 1 38 38 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5105 1 389 . 1 1 38 38 GLN HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5105 1 390 . 1 1 39 39 LEU N N 15 123.0 0.05 . 1 . . . . . . . . 5105 1 391 . 1 1 39 39 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 5105 1 392 . 1 1 39 39 LEU CA C 13 58.6 0.05 . 1 . . . . . . . . 5105 1 393 . 1 1 39 39 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 5105 1 394 . 1 1 39 39 LEU CB C 13 40.5 0.05 . 1 . . . . . . . . 5105 1 395 . 1 1 39 39 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5105 1 396 . 1 1 39 39 LEU HB3 H 1 1.20 0.02 . 2 . . . . . . . . 5105 1 397 . 1 1 39 39 LEU CG C 13 26.9 0.05 . 1 . . . . . . . . 5105 1 398 . 1 1 39 39 LEU HG H 1 1.02 0.02 . 1 . . . . . . . . 5105 1 399 . 1 1 39 39 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 400 . 1 1 39 39 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 401 . 1 1 39 39 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 402 . 1 1 39 39 LEU HD21 H 1 0.51 0.02 . 2 . . . . . . . . 5105 1 403 . 1 1 39 39 LEU HD22 H 1 0.51 0.02 . 2 . . . . . . . . 5105 1 404 . 1 1 39 39 LEU HD23 H 1 0.51 0.02 . 2 . . . . . . . . 5105 1 405 . 1 1 39 39 LEU CD1 C 13 26.9 0.05 . 1 . . . . . . . . 5105 1 406 . 1 1 39 39 LEU CD2 C 13 23.6 0.05 . 1 . . . . . . . . 5105 1 407 . 1 1 40 40 VAL N N 15 117.4 0.05 . 1 . . . . . . . . 5105 1 408 . 1 1 40 40 VAL H H 1 7.97 0.02 . 1 . . . . . . . . 5105 1 409 . 1 1 40 40 VAL CA C 13 67.5 0.05 . 1 . . . . . . . . 5105 1 410 . 1 1 40 40 VAL HA H 1 3.09 0.02 . 1 . . . . . . . . 5105 1 411 . 1 1 40 40 VAL CB C 13 32.0 0.05 . 1 . . . . . . . . 5105 1 412 . 1 1 40 40 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 5105 1 413 . 1 1 40 40 VAL CG1 C 13 22.8 0.05 . 1 . . . . . . . . 5105 1 414 . 1 1 40 40 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 415 . 1 1 40 40 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 416 . 1 1 40 40 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 417 . 1 1 40 40 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 418 . 1 1 40 40 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 419 . 1 1 40 40 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5105 1 420 . 1 1 41 41 GLY N N 15 103.4 0.05 . 1 . . . . . . . . 5105 1 421 . 1 1 41 41 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 5105 1 422 . 1 1 41 41 GLY CA C 13 47.3 0.05 . 1 . . . . . . . . 5105 1 423 . 1 1 41 41 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5105 1 424 . 1 1 41 41 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5105 1 425 . 1 1 42 42 LYS N N 15 122.5 0.05 . 1 . . . . . . . . 5105 1 426 . 1 1 42 42 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5105 1 427 . 1 1 42 42 LYS CA C 13 57.0 0.05 . 1 . . . . . . . . 5105 1 428 . 1 1 42 42 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5105 1 429 . 1 1 42 42 LYS CB C 13 31.8 0.05 . 1 . . . . . . . . 5105 1 430 . 1 1 42 42 LYS HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5105 1 431 . 1 1 42 42 LYS HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5105 1 432 . 1 1 42 42 LYS CG C 13 25.1 0.05 . 1 . . . . . . . . 5105 1 433 . 1 1 42 42 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5105 1 434 . 1 1 42 42 LYS HG3 H 1 1.28 0.02 . 2 . . . . . . . . 5105 1 435 . 1 1 42 42 LYS CD C 13 28.1 0.05 . 1 . . . . . . . . 5105 1 436 . 1 1 42 42 LYS HD2 H 1 1.89 0.02 . 2 . . . . . . . . 5105 1 437 . 1 1 42 42 LYS HD3 H 1 1.42 0.02 . 2 . . . . . . . . 5105 1 438 . 1 1 42 42 LYS CE C 13 42.0 0.05 . 1 . . . . . . . . 5105 1 439 . 1 1 42 42 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 5105 1 440 . 1 1 42 42 LYS HE3 H 1 2.73 0.02 . 2 . . . . . . . . 5105 1 441 . 1 1 43 43 ILE N N 15 121.5 0.05 . 1 . . . . . . . . 5105 1 442 . 1 1 43 43 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 5105 1 443 . 1 1 43 43 ILE CA C 13 65.9 0.05 . 1 . . . . . . . . 5105 1 444 . 1 1 43 43 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5105 1 445 . 1 1 43 43 ILE CB C 13 38.1 0.05 . 1 . . . . . . . . 5105 1 446 . 1 1 43 43 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 5105 1 447 . 1 1 43 43 ILE HG21 H 1 0.60 0.02 . 1 . . . . . . . . 5105 1 448 . 1 1 43 43 ILE HG22 H 1 0.60 0.02 . 1 . . . . . . . . 5105 1 449 . 1 1 43 43 ILE HG23 H 1 0.60 0.02 . 1 . . . . . . . . 5105 1 450 . 1 1 43 43 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 5105 1 451 . 1 1 43 43 ILE CG1 C 13 29.3 0.05 . 1 . . . . . . . . 5105 1 452 . 1 1 43 43 ILE HG12 H 1 1.12 0.02 . 2 . . . . . . . . 5105 1 453 . 1 1 43 43 ILE HG13 H 1 -0.12 0.02 . 2 . . . . . . . . 5105 1 454 . 1 1 43 43 ILE HD11 H 1 -0.61 0.02 . 1 . . . . . . . . 5105 1 455 . 1 1 43 43 ILE HD12 H 1 -0.61 0.02 . 1 . . . . . . . . 5105 1 456 . 1 1 43 43 ILE HD13 H 1 -0.61 0.02 . 1 . . . . . . . . 5105 1 457 . 1 1 43 43 ILE CD1 C 13 13.9 0.05 . 1 . . . . . . . . 5105 1 458 . 1 1 44 44 GLN N N 15 118.0 0.05 . 1 . . . . . . . . 5105 1 459 . 1 1 44 44 GLN H H 1 8.11 0.02 . 1 . . . . . . . . 5105 1 460 . 1 1 44 44 GLN CA C 13 61.3 0.05 . 1 . . . . . . . . 5105 1 461 . 1 1 44 44 GLN HA H 1 3.92 0.02 . 1 . . . . . . . . 5105 1 462 . 1 1 44 44 GLN CB C 13 30.7 0.05 . 1 . . . . . . . . 5105 1 463 . 1 1 44 44 GLN HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5105 1 464 . 1 1 44 44 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5105 1 465 . 1 1 44 44 GLN CG C 13 35.7 0.05 . 1 . . . . . . . . 5105 1 466 . 1 1 44 44 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5105 1 467 . 1 1 44 44 GLN HG3 H 1 2.14 0.02 . 2 . . . . . . . . 5105 1 468 . 1 1 45 45 GLU N N 15 118.3 0.05 . 1 . . . . . . . . 5105 1 469 . 1 1 45 45 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5105 1 470 . 1 1 45 45 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 5105 1 471 . 1 1 45 45 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 5105 1 472 . 1 1 45 45 GLU CB C 13 31.1 0.05 . 1 . . . . . . . . 5105 1 473 . 1 1 45 45 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5105 1 474 . 1 1 45 45 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5105 1 475 . 1 1 45 45 GLU CG C 13 35.6 0.05 . 1 . . . . . . . . 5105 1 476 . 1 1 45 45 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 5105 1 477 . 1 1 45 45 GLU HG3 H 1 2.04 0.02 . 2 . . . . . . . . 5105 1 478 . 1 1 46 46 ARG N N 15 114.7 0.05 . 1 . . . . . . . . 5105 1 479 . 1 1 46 46 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 5105 1 480 . 1 1 46 46 ARG CA C 13 56.3 0.05 . 1 . . . . . . . . 5105 1 481 . 1 1 46 46 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 5105 1 482 . 1 1 46 46 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 5105 1 483 . 1 1 46 46 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5105 1 484 . 1 1 46 46 ARG HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5105 1 485 . 1 1 46 46 ARG CG C 13 27.0 0.05 . 1 . . . . . . . . 5105 1 486 . 1 1 46 46 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 5105 1 487 . 1 1 46 46 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 5105 1 488 . 1 1 46 46 ARG CD C 13 42.0 0.05 . 1 . . . . . . . . 5105 1 489 . 1 1 46 46 ARG HD2 H 1 3.11 0.02 . 2 . . . . . . . . 5105 1 490 . 1 1 46 46 ARG HD3 H 1 3.03 0.02 . 2 . . . . . . . . 5105 1 491 . 1 1 47 47 TYR N N 15 113.3 0.05 . 1 . . . . . . . . 5105 1 492 . 1 1 47 47 TYR H H 1 8.29 0.02 . 1 . . . . . . . . 5105 1 493 . 1 1 47 47 TYR CA C 13 59.0 0.05 . 1 . . . . . . . . 5105 1 494 . 1 1 47 47 TYR HA H 1 4.04 0.02 . 1 . . . . . . . . 5105 1 495 . 1 1 47 47 TYR CB C 13 36.2 0.05 . 1 . . . . . . . . 5105 1 496 . 1 1 47 47 TYR HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5105 1 497 . 1 1 47 47 TYR HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5105 1 498 . 1 1 48 48 GLY N N 15 109.7 0.05 . 1 . . . . . . . . 5105 1 499 . 1 1 48 48 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 5105 1 500 . 1 1 48 48 GLY CA C 13 46.4 0.05 . 1 . . . . . . . . 5105 1 501 . 1 1 48 48 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 5105 1 502 . 1 1 48 48 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 5105 1 503 . 1 1 49 49 TYR N N 15 116.5 0.05 . 1 . . . . . . . . 5105 1 504 . 1 1 49 49 TYR H H 1 6.80 0.02 . 1 . . . . . . . . 5105 1 505 . 1 1 49 49 TYR CA C 13 53.1 0.05 . 1 . . . . . . . . 5105 1 506 . 1 1 49 49 TYR HA H 1 5.07 0.02 . 1 . . . . . . . . 5105 1 507 . 1 1 49 49 TYR CB C 13 40.4 0.05 . 1 . . . . . . . . 5105 1 508 . 1 1 49 49 TYR HB2 H 1 3.60 0.02 . 2 . . . . . . . . 5105 1 509 . 1 1 49 49 TYR HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5105 1 510 . 1 1 50 50 GLN N N 15 118.8 0.05 . 1 . . . . . . . . 5105 1 511 . 1 1 50 50 GLN H H 1 8.82 0.02 . 1 . . . . . . . . 5105 1 512 . 1 1 50 50 GLN CA C 13 55.5 0.05 . 1 . . . . . . . . 5105 1 513 . 1 1 50 50 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 5105 1 514 . 1 1 50 50 GLN CB C 13 29.3 0.05 . 1 . . . . . . . . 5105 1 515 . 1 1 50 50 GLN HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5105 1 516 . 1 1 50 50 GLN HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5105 1 517 . 1 1 50 50 GLN CG C 13 34.2 0.05 . 1 . . . . . . . . 5105 1 518 . 1 1 50 50 GLN HG2 H 1 2.63 0.02 . 1 . . . . . . . . 5105 1 519 . 1 1 50 50 GLN HG3 H 1 2.63 0.02 . 1 . . . . . . . . 5105 1 520 . 1 1 51 51 LYS N N 15 124.2 0.05 . 1 . . . . . . . . 5105 1 521 . 1 1 51 51 LYS H H 1 8.91 0.02 . 1 . . . . . . . . 5105 1 522 . 1 1 51 51 LYS CA C 13 61.1 0.05 . 1 . . . . . . . . 5105 1 523 . 1 1 51 51 LYS HA H 1 3.58 0.02 . 1 . . . . . . . . 5105 1 524 . 1 1 51 51 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . 5105 1 525 . 1 1 51 51 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5105 1 526 . 1 1 51 51 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5105 1 527 . 1 1 51 51 LYS CG C 13 25.0 0.05 . 1 . . . . . . . . 5105 1 528 . 1 1 51 51 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5105 1 529 . 1 1 51 51 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 5105 1 530 . 1 1 51 51 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5105 1 531 . 1 1 51 51 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5105 1 532 . 1 1 51 51 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5105 1 533 . 1 1 51 51 LYS CE C 13 42.1 0.05 . 1 . . . . . . . . 5105 1 534 . 1 1 51 51 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5105 1 535 . 1 1 51 51 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5105 1 536 . 1 1 52 52 ASP N N 15 115.0 0.05 . 1 . . . . . . . . 5105 1 537 . 1 1 52 52 ASP H H 1 8.61 0.02 . 1 . . . . . . . . 5105 1 538 . 1 1 52 52 ASP CA C 13 57.0 0.05 . 1 . . . . . . . . 5105 1 539 . 1 1 52 52 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 5105 1 540 . 1 1 52 52 ASP CB C 13 39.5 0.05 . 1 . . . . . . . . 5105 1 541 . 1 1 52 52 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5105 1 542 . 1 1 52 52 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5105 1 543 . 1 1 53 53 GLN N N 15 120.9 0.05 . 1 . . . . . . . . 5105 1 544 . 1 1 53 53 GLN H H 1 7.32 0.02 . 1 . . . . . . . . 5105 1 545 . 1 1 53 53 GLN CA C 13 58.0 0.05 . 1 . . . . . . . . 5105 1 546 . 1 1 53 53 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 5105 1 547 . 1 1 53 53 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . 5105 1 548 . 1 1 53 53 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5105 1 549 . 1 1 53 53 GLN HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5105 1 550 . 1 1 53 53 GLN CG C 13 32.6 0.05 . 1 . . . . . . . . 5105 1 551 . 1 1 53 53 GLN HG2 H 1 2.06 0.02 . 2 . . . . . . . . 5105 1 552 . 1 1 53 53 GLN HG3 H 1 1.75 0.02 . 2 . . . . . . . . 5105 1 553 . 1 1 54 54 ALA N N 15 121.3 0.05 . 1 . . . . . . . . 5105 1 554 . 1 1 54 54 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 5105 1 555 . 1 1 54 54 ALA CA C 13 55.8 0.05 . 1 . . . . . . . . 5105 1 556 . 1 1 54 54 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 5105 1 557 . 1 1 54 54 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 5105 1 558 . 1 1 54 54 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5105 1 559 . 1 1 54 54 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5105 1 560 . 1 1 54 54 ALA CB C 13 20.1 0.05 . 1 . . . . . . . . 5105 1 561 . 1 1 55 55 GLU N N 15 116.8 0.05 . 1 . . . . . . . . 5105 1 562 . 1 1 55 55 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 5105 1 563 . 1 1 55 55 GLU CA C 13 59.7 0.05 . 1 . . . . . . . . 5105 1 564 . 1 1 55 55 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 5105 1 565 . 1 1 55 55 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 5105 1 566 . 1 1 55 55 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5105 1 567 . 1 1 55 55 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5105 1 568 . 1 1 55 55 GLU CG C 13 35.7 0.05 . 1 . . . . . . . . 5105 1 569 . 1 1 55 55 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5105 1 570 . 1 1 55 55 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 5105 1 571 . 1 1 56 56 LYS N N 15 118.0 0.05 . 1 . . . . . . . . 5105 1 572 . 1 1 56 56 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 5105 1 573 . 1 1 56 56 LYS CA C 13 60.0 0.05 . 1 . . . . . . . . 5105 1 574 . 1 1 56 56 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5105 1 575 . 1 1 56 56 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 5105 1 576 . 1 1 56 56 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5105 1 577 . 1 1 56 56 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5105 1 578 . 1 1 56 56 LYS CG C 13 25.4 0.05 . 1 . . . . . . . . 5105 1 579 . 1 1 56 56 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5105 1 580 . 1 1 56 56 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5105 1 581 . 1 1 56 56 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5105 1 582 . 1 1 56 56 LYS HD2 H 1 1.72 0.02 . 2 . . . . . . . . 5105 1 583 . 1 1 56 56 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 5105 1 584 . 1 1 56 56 LYS CE C 13 42.4 0.05 . 1 . . . . . . . . 5105 1 585 . 1 1 56 56 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 5105 1 586 . 1 1 56 56 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 5105 1 587 . 1 1 57 57 GLU N N 15 117.6 0.05 . 1 . . . . . . . . 5105 1 588 . 1 1 57 57 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 5105 1 589 . 1 1 57 57 GLU CA C 13 60.3 0.05 . 1 . . . . . . . . 5105 1 590 . 1 1 57 57 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 5105 1 591 . 1 1 57 57 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 5105 1 592 . 1 1 57 57 GLU HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5105 1 593 . 1 1 57 57 GLU HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5105 1 594 . 1 1 57 57 GLU CG C 13 36.8 0.05 . 1 . . . . . . . . 5105 1 595 . 1 1 57 57 GLU HG2 H 1 2.73 0.02 . 2 . . . . . . . . 5105 1 596 . 1 1 57 57 GLU HG3 H 1 2.41 0.02 . 2 . . . . . . . . 5105 1 597 . 1 1 58 58 VAL N N 15 123.0 0.05 . 1 . . . . . . . . 5105 1 598 . 1 1 58 58 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 5105 1 599 . 1 1 58 58 VAL CA C 13 68.2 0.05 . 1 . . . . . . . . 5105 1 600 . 1 1 58 58 VAL HA H 1 4.22 0.02 . 1 . . . . . . . . 5105 1 601 . 1 1 58 58 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . 5105 1 602 . 1 1 58 58 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 5105 1 603 . 1 1 58 58 VAL HG11 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 604 . 1 1 58 58 VAL HG12 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 605 . 1 1 58 58 VAL HG13 H 1 0.77 0.02 . 2 . . . . . . . . 5105 1 606 . 1 1 58 58 VAL HG21 H 1 1.13 0.02 . 2 . . . . . . . . 5105 1 607 . 1 1 58 58 VAL HG22 H 1 1.13 0.02 . 2 . . . . . . . . 5105 1 608 . 1 1 58 58 VAL HG23 H 1 1.13 0.02 . 2 . . . . . . . . 5105 1 609 . 1 1 58 58 VAL CG1 C 13 24.8 0.05 . 1 . . . . . . . . 5105 1 610 . 1 1 58 58 VAL CG2 C 13 22.7 0.05 . 1 . . . . . . . . 5105 1 611 . 1 1 59 59 VAL N N 15 122.2 0.05 . 1 . . . . . . . . 5105 1 612 . 1 1 59 59 VAL H H 1 9.05 0.02 . 1 . . . . . . . . 5105 1 613 . 1 1 59 59 VAL CA C 13 65.9 0.05 . 1 . . . . . . . . 5105 1 614 . 1 1 59 59 VAL HA H 1 4.41 0.02 . 1 . . . . . . . . 5105 1 615 . 1 1 59 59 VAL CB C 13 31.9 0.05 . 1 . . . . . . . . 5105 1 616 . 1 1 59 59 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 5105 1 617 . 1 1 59 59 VAL HG11 H 1 1.14 0.02 . 2 . . . . . . . . 5105 1 618 . 1 1 59 59 VAL HG12 H 1 1.14 0.02 . 2 . . . . . . . . 5105 1 619 . 1 1 59 59 VAL HG13 H 1 1.14 0.02 . 2 . . . . . . . . 5105 1 620 . 1 1 59 59 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 5105 1 621 . 1 1 59 59 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 5105 1 622 . 1 1 59 59 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 5105 1 623 . 1 1 59 59 VAL CG1 C 13 23.6 0.05 . 1 . . . . . . . . 5105 1 624 . 1 1 59 59 VAL CG2 C 13 21.2 0.05 . 1 . . . . . . . . 5105 1 625 . 1 1 60 60 ASP N N 15 121.7 0.05 . 1 . . . . . . . . 5105 1 626 . 1 1 60 60 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 5105 1 627 . 1 1 60 60 ASP CA C 13 58.0 0.05 . 1 . . . . . . . . 5105 1 628 . 1 1 60 60 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5105 1 629 . 1 1 60 60 ASP CB C 13 41.1 0.05 . 1 . . . . . . . . 5105 1 630 . 1 1 60 60 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5105 1 631 . 1 1 60 60 ASP HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5105 1 632 . 1 1 61 61 TRP N N 15 121.5 0.05 . 1 . . . . . . . . 5105 1 633 . 1 1 61 61 TRP H H 1 8.32 0.02 . 1 . . . . . . . . 5105 1 634 . 1 1 61 61 TRP CA C 13 62.9 0.05 . 1 . . . . . . . . 5105 1 635 . 1 1 61 61 TRP HA H 1 4.09 0.02 . 1 . . . . . . . . 5105 1 636 . 1 1 61 61 TRP CB C 13 30.5 0.05 . 1 . . . . . . . . 5105 1 637 . 1 1 61 61 TRP HB2 H 1 4.00 0.02 . 2 . . . . . . . . 5105 1 638 . 1 1 61 61 TRP HB3 H 1 3.42 0.02 . 2 . . . . . . . . 5105 1 639 . 1 1 62 62 GLU N N 15 121.7 0.05 . 1 . . . . . . . . 5105 1 640 . 1 1 62 62 GLU H H 1 10.21 0.02 . 1 . . . . . . . . 5105 1 641 . 1 1 62 62 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 5105 1 642 . 1 1 62 62 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 5105 1 643 . 1 1 62 62 GLU CB C 13 28.4 0.05 . 1 . . . . . . . . 5105 1 644 . 1 1 62 62 GLU HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5105 1 645 . 1 1 62 62 GLU HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5105 1 646 . 1 1 62 62 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5105 1 647 . 1 1 62 62 GLU HG2 H 1 3.37 0.02 . 2 . . . . . . . . 5105 1 648 . 1 1 62 62 GLU HG3 H 1 2.81 0.02 . 2 . . . . . . . . 5105 1 649 . 1 1 63 63 THR N N 15 116.2 0.05 . 1 . . . . . . . . 5105 1 650 . 1 1 63 63 THR H H 1 8.23 0.02 . 1 . . . . . . . . 5105 1 651 . 1 1 63 63 THR CA C 13 65.8 0.05 . 1 . . . . . . . . 5105 1 652 . 1 1 63 63 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 5105 1 653 . 1 1 63 63 THR CB C 13 69.1 0.05 . 1 . . . . . . . . 5105 1 654 . 1 1 63 63 THR HB H 1 4.45 0.02 . 1 . . . . . . . . 5105 1 655 . 1 1 63 63 THR HG21 H 1 1.37 0.02 . 1 . . . . . . . . 5105 1 656 . 1 1 63 63 THR HG22 H 1 1.37 0.02 . 1 . . . . . . . . 5105 1 657 . 1 1 63 63 THR HG23 H 1 1.37 0.02 . 1 . . . . . . . . 5105 1 658 . 1 1 63 63 THR CG2 C 13 20.5 0.05 . 1 . . . . . . . . 5105 1 659 . 1 1 64 64 ARG N N 15 121.3 0.05 . 1 . . . . . . . . 5105 1 660 . 1 1 64 64 ARG H H 1 7.85 0.02 . 1 . . . . . . . . 5105 1 661 . 1 1 64 64 ARG CA C 13 58.9 0.05 . 1 . . . . . . . . 5105 1 662 . 1 1 64 64 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 5105 1 663 . 1 1 64 64 ARG CB C 13 30.7 0.05 . 1 . . . . . . . . 5105 1 664 . 1 1 64 64 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5105 1 665 . 1 1 64 64 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5105 1 666 . 1 1 64 64 ARG CG C 13 27.8 0.05 . 1 . . . . . . . . 5105 1 667 . 1 1 64 64 ARG HG2 H 1 1.71 0.02 . 2 . . . . . . . . 5105 1 668 . 1 1 64 64 ARG HG3 H 1 1.60 0.02 . 2 . . . . . . . . 5105 1 669 . 1 1 64 64 ARG CD C 13 43.3 0.05 . 1 . . . . . . . . 5105 1 670 . 1 1 64 64 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 5105 1 671 . 1 1 64 64 ARG HD3 H 1 3.19 0.02 . 2 . . . . . . . . 5105 1 672 . 1 1 65 65 ASN N N 15 113.6 0.05 . 1 . . . . . . . . 5105 1 673 . 1 1 65 65 ASN H H 1 7.46 0.02 . 1 . . . . . . . . 5105 1 674 . 1 1 65 65 ASN CA C 13 53.8 0.05 . 1 . . . . . . . . 5105 1 675 . 1 1 65 65 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . 5105 1 676 . 1 1 65 65 ASN CB C 13 39.3 0.05 . 1 . . . . . . . . 5105 1 677 . 1 1 65 65 ASN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5105 1 678 . 1 1 65 65 ASN HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5105 1 679 . 1 1 66 66 GLU N N 15 119.2 0.05 . 1 . . . . . . . . 5105 1 680 . 1 1 66 66 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 5105 1 681 . 1 1 66 66 GLU CA C 13 56.6 0.05 . 1 . . . . . . . . 5105 1 682 . 1 1 66 66 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 5105 1 683 . 1 1 66 66 GLU CB C 13 27.5 0.05 . 1 . . . . . . . . 5105 1 684 . 1 1 66 66 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5105 1 685 . 1 1 66 66 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5105 1 686 . 1 1 66 66 GLU CG C 13 36.6 0.05 . 1 . . . . . . . . 5105 1 687 . 1 1 66 66 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5105 1 688 . 1 1 66 66 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5105 1 689 . 1 1 67 67 TYR N N 15 119.8 0.05 . 1 . . . . . . . . 5105 1 690 . 1 1 67 67 TYR H H 1 7.80 0.02 . 1 . . . . . . . . 5105 1 691 . 1 1 67 67 TYR CA C 13 58.5 0.05 . 1 . . . . . . . . 5105 1 692 . 1 1 67 67 TYR HA H 1 3.94 0.02 . 1 . . . . . . . . 5105 1 693 . 1 1 67 67 TYR CB C 13 40.1 0.05 . 1 . . . . . . . . 5105 1 694 . 1 1 67 67 TYR HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5105 1 695 . 1 1 67 67 TYR HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5105 1 696 . 1 1 68 68 ARG N N 15 126.3 0.05 . 1 . . . . . . . . 5105 1 697 . 1 1 68 68 ARG H H 1 7.32 0.02 . 1 . . . . . . . . 5105 1 698 . 1 1 68 68 ARG CA C 13 54.2 0.05 . 1 . . . . . . . . 5105 1 699 . 1 1 68 68 ARG HA H 1 4.37 0.02 . 1 . . . . . . . . 5105 1 700 . 1 1 68 68 ARG CB C 13 30.3 0.05 . 1 . . . . . . . . 5105 1 701 . 1 1 68 68 ARG HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5105 1 702 . 1 1 68 68 ARG HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5105 1 703 . 1 1 68 68 ARG CG C 13 26.5 0.05 . 1 . . . . . . . . 5105 1 704 . 1 1 68 68 ARG HG2 H 1 1.56 0.02 . 2 . . . . . . . . 5105 1 705 . 1 1 68 68 ARG HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5105 1 706 . 1 1 68 68 ARG CD C 13 43.5 0.05 . 1 . . . . . . . . 5105 1 707 . 1 1 68 68 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5105 1 708 . 1 1 68 68 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5105 1 stop_ save_