data_5873 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5873 _Entry.Title ; Backbone and side chains 1H, 13C, and 15N Chemical Shift Assignments for BlaI-NTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-18 _Entry.Accession_date 2003-07-18 _Entry.Last_release_date 2004-07-07 _Entry.Original_release_date 2004-07-07 _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 Helene 'Van Melckebeke' . . . 5873 2 Christelle Vreuls . . . 5873 3 Pierre Gans . . . 5873 4 Patrice Filee . . . 5873 5 Gabriel Llabres . . . 5873 6 Bernard Joris . . . 5873 7 Jean-Pierre Simorre . . . 5873 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5873 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 513 5873 '13C chemical shifts' 351 5873 '15N chemical shifts' 76 5873 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 . . 2004-07-07 2003-07-18 original author . 5873 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5873 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22930671 _Citation.DOI . _Citation.PubMed_ID 14568532 _Citation.Full_citation . _Citation.Title ; Solution Structural Study of BlaI : Implications for the Repression of Genes Involved in Beta-lactam Antibiotic Resistance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 333 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 711 _Citation.Page_last 720 _Citation.Year 2003 _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 Helene 'Van Melckebeke' . . . 5873 1 2 Christelle Vreuls . . . 5873 1 3 Pierre Gans . . . 5873 1 4 Patrice Filee . . . 5873 1 5 Gabriel Llabres . . . 5873 1 6 Bernard Joris . . . 5873 1 7 Jean-Pierre Simorre . . . 5873 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'b-lactamase repressor BlaI' 5873 1 'NMR spectroscopy' 5873 1 'Winged Helix Protein' 5873 1 'protein-DNA interaction' 5873 1 'bacterial resistance to antibiotics' 5873 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_BlaI-NTD _Assembly.Sf_category assembly _Assembly.Sf_framecode BlaI-NTD _Assembly.Entry_ID 5873 _Assembly.ID 1 _Assembly.Name 'BlaI N-terminal domain' _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 5873 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 BlaI-NTD 1 $BlaI . . . native . . . . . 5873 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'BlaI N-terminal domain' system 5873 1 BlaI-NTD abbreviation 5873 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'repressor of the b-lactamase gene' 5873 1 'regulatory protein' 5873 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlaI _Entity.Sf_category entity _Entity.Sf_framecode BlaI _Entity.Entry_ID 5873 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'b-lactamase gene repressor' _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 ; MKKIPQISDAELEVMKVIWK HSSINTNEVIKELSKTSTWS PKTIQTMLLRLIKKGALNHH KEGRVFVYTPNIDESDYIEV KS ; _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 82 _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 '82 N-terminal amino-acids of the 128 amino -acids full-length repressor BlaI' _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 1P6R . "Solution Structure Of The Dna Binding Domain Of The Repressor Blai." . . . . . 100.00 82 100.00 100.00 5.48e-51 . . . . 5873 1 2 no PDB 2P7C . "Solution Structure Of The Bacillus Licheniformis Blai Monomeric Form In Complex With The Blap Half-Operator" . . . . . 100.00 82 100.00 100.00 5.48e-51 . . . . 5873 1 3 no GB AAA22648 . "penicillinase repressor [Bacillus licheniformis 9945A]" . . . . . 100.00 128 100.00 100.00 8.03e-51 . . . . 5873 1 4 no GB AAA22650 . "repressor protein [Bacillus licheniformis]" . . . . . 100.00 128 98.78 98.78 6.84e-50 . . . . 5873 1 5 no GB AAU21886 . "putative beta-lactamase repressor protein [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 128 98.78 100.00 2.38e-50 . . . . 5873 1 6 no GB AAU39238 . "penicillinase repressor BlaI [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 128 98.78 100.00 2.38e-50 . . . . 5873 1 7 no GB AGN34711 . "putative beta-lactamase repressor protein BlaI [Bacillus licheniformis 9945A]" . . . . . 100.00 128 100.00 100.00 8.03e-51 . . . . 5873 1 8 no REF WP_003178582 . "MULTISPECIES: beta-lactamase [Bacillus]" . . . . . 100.00 128 98.78 100.00 2.38e-50 . . . . 5873 1 9 no REF WP_020449991 . "MULTISPECIES: putative beta-lactamase repressor protein BlaI [Bacillus]" . . . . . 100.00 128 100.00 100.00 8.03e-51 . . . . 5873 1 10 no REF WP_026585720 . "beta-lactamase repressor [Bacillus sp. NSP9.1]" . . . . . 100.00 128 97.56 97.56 3.27e-49 . . . . 5873 1 11 no REF YP_006711714 . "penicillinase repressor BlaI [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 128 98.78 100.00 2.38e-50 . . . . 5873 1 12 no REF YP_008076448 . "putative beta-lactamase repressor protein BlaI [Bacillus licheniformis 9945A]" . . . . . 100.00 128 100.00 100.00 8.03e-51 . . . . 5873 1 13 no SP P06555 . "RecName: Full=Penicillinase repressor; AltName: Full=Beta-lactamase repressor protein; AltName: Full=Regulatory protein BlaI [B" . . . . . 100.00 128 100.00 100.00 8.03e-51 . . . . 5873 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'b-lactamase gene repressor' common 5873 1 'penicillase repressor' variant 5873 1 BlaI abbreviation 5873 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 . 5873 1 2 . LYS . 5873 1 3 . LYS . 5873 1 4 . ILE . 5873 1 5 . PRO . 5873 1 6 . GLN . 5873 1 7 . ILE . 5873 1 8 . SER . 5873 1 9 . ASP . 5873 1 10 . ALA . 5873 1 11 . GLU . 5873 1 12 . LEU . 5873 1 13 . GLU . 5873 1 14 . VAL . 5873 1 15 . MET . 5873 1 16 . LYS . 5873 1 17 . VAL . 5873 1 18 . ILE . 5873 1 19 . TRP . 5873 1 20 . LYS . 5873 1 21 . HIS . 5873 1 22 . SER . 5873 1 23 . SER . 5873 1 24 . ILE . 5873 1 25 . ASN . 5873 1 26 . THR . 5873 1 27 . ASN . 5873 1 28 . GLU . 5873 1 29 . VAL . 5873 1 30 . ILE . 5873 1 31 . LYS . 5873 1 32 . GLU . 5873 1 33 . LEU . 5873 1 34 . SER . 5873 1 35 . LYS . 5873 1 36 . THR . 5873 1 37 . SER . 5873 1 38 . THR . 5873 1 39 . TRP . 5873 1 40 . SER . 5873 1 41 . PRO . 5873 1 42 . LYS . 5873 1 43 . THR . 5873 1 44 . ILE . 5873 1 45 . GLN . 5873 1 46 . THR . 5873 1 47 . MET . 5873 1 48 . LEU . 5873 1 49 . LEU . 5873 1 50 . ARG . 5873 1 51 . LEU . 5873 1 52 . ILE . 5873 1 53 . LYS . 5873 1 54 . LYS . 5873 1 55 . GLY . 5873 1 56 . ALA . 5873 1 57 . LEU . 5873 1 58 . ASN . 5873 1 59 . HIS . 5873 1 60 . HIS . 5873 1 61 . LYS . 5873 1 62 . GLU . 5873 1 63 . GLY . 5873 1 64 . ARG . 5873 1 65 . VAL . 5873 1 66 . PHE . 5873 1 67 . VAL . 5873 1 68 . TYR . 5873 1 69 . THR . 5873 1 70 . PRO . 5873 1 71 . ASN . 5873 1 72 . ILE . 5873 1 73 . ASP . 5873 1 74 . GLU . 5873 1 75 . SER . 5873 1 76 . ASP . 5873 1 77 . TYR . 5873 1 78 . ILE . 5873 1 79 . GLU . 5873 1 80 . VAL . 5873 1 81 . LYS . 5873 1 82 . SER . 5873 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 5873 1 . LYS 2 2 5873 1 . LYS 3 3 5873 1 . ILE 4 4 5873 1 . PRO 5 5 5873 1 . GLN 6 6 5873 1 . ILE 7 7 5873 1 . SER 8 8 5873 1 . ASP 9 9 5873 1 . ALA 10 10 5873 1 . GLU 11 11 5873 1 . LEU 12 12 5873 1 . GLU 13 13 5873 1 . VAL 14 14 5873 1 . MET 15 15 5873 1 . LYS 16 16 5873 1 . VAL 17 17 5873 1 . ILE 18 18 5873 1 . TRP 19 19 5873 1 . LYS 20 20 5873 1 . HIS 21 21 5873 1 . SER 22 22 5873 1 . SER 23 23 5873 1 . ILE 24 24 5873 1 . ASN 25 25 5873 1 . THR 26 26 5873 1 . ASN 27 27 5873 1 . GLU 28 28 5873 1 . VAL 29 29 5873 1 . ILE 30 30 5873 1 . LYS 31 31 5873 1 . GLU 32 32 5873 1 . LEU 33 33 5873 1 . SER 34 34 5873 1 . LYS 35 35 5873 1 . THR 36 36 5873 1 . SER 37 37 5873 1 . THR 38 38 5873 1 . TRP 39 39 5873 1 . SER 40 40 5873 1 . PRO 41 41 5873 1 . LYS 42 42 5873 1 . THR 43 43 5873 1 . ILE 44 44 5873 1 . GLN 45 45 5873 1 . THR 46 46 5873 1 . MET 47 47 5873 1 . LEU 48 48 5873 1 . LEU 49 49 5873 1 . ARG 50 50 5873 1 . LEU 51 51 5873 1 . ILE 52 52 5873 1 . LYS 53 53 5873 1 . LYS 54 54 5873 1 . GLY 55 55 5873 1 . ALA 56 56 5873 1 . LEU 57 57 5873 1 . ASN 58 58 5873 1 . HIS 59 59 5873 1 . HIS 60 60 5873 1 . LYS 61 61 5873 1 . GLU 62 62 5873 1 . GLY 63 63 5873 1 . ARG 64 64 5873 1 . VAL 65 65 5873 1 . PHE 66 66 5873 1 . VAL 67 67 5873 1 . TYR 68 68 5873 1 . THR 69 69 5873 1 . PRO 70 70 5873 1 . ASN 71 71 5873 1 . ILE 72 72 5873 1 . ASP 73 73 5873 1 . GLU 74 74 5873 1 . SER 75 75 5873 1 . ASP 76 76 5873 1 . TYR 77 77 5873 1 . ILE 78 78 5873 1 . GLU 79 79 5873 1 . VAL 80 80 5873 1 . LYS 81 81 5873 1 . SER 82 82 5873 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 5873 _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 $BlaI . 1402 . . 'Bacillus licheniformis' 'Bacillus licheniformis' . . Eubacteria . Bacillus licheniformis . . . . . . . . . . . . . . . . 749/I . 'Bacteria, Firmicutes, Bacillales, Bacillaceae, Bacillus' . . 5873 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 5873 _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 $BlaI . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLys . . . . . . . . . . . . plasmid . . pET22 . . . 'The full-length protein was cleaved with papain to obtain the BlaI-NTD species.' . . 5873 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5873 _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 'b-lactamase gene repressor' '[U-13C; U-15N]' . . 1 $BlaI . . 0.5 . . mM . . . . 5873 1 2 'phosphate buffer' . . . . . . . 75 . . mM . . . . 5873 1 3 KCl . . . . . . . 300 . . mM . . . . 5873 1 4 H2O . . . . . . . 90 . . % . . . . 5873 1 5 D2O . . . . . . . 10 . . % . . . . 5873 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5873 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'b-lactamase gene repressor' [U-15N] . . 1 $BlaI . . 0.75 . . mM . . . . 5873 2 stop_ save_ ####################### # Sample conditions # ####################### save_set_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode set_condition_1 _Sample_condition_list.Entry_ID 5873 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'phosphate buffer 75 mM pH 7.6, 300 mM KCl' 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 7.6 0.2 na 5873 1 temperature 298 1 K 5873 1 'ionic strength' 375 . mM 5873 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5873 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . 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 5873 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5873 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5873 _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 . 600 . . . 5873 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 5873 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 5873 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 3 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 4 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 6 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 7 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 8 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 9 H(C)CH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 10 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5873 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)CO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(C)CH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5873 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 2D-NOESY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5873 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5873 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5873 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5873 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_shift_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set1 _Assigned_chem_shift_list.Entry_ID 5873 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $set_condition_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 'The first four residues and the last one (residue 82) have not been assigned' _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 HNCA . . . 5873 1 2 HNCO . . . 5873 1 3 HN(CA)CO . . . 5873 1 4 CBCANH . . . 5873 1 5 CBCA(CO)NH . . . 5873 1 6 (H)C(CO)NH-TOCSY . . . 5873 1 7 H(CCO)NH-TOCSY . . . 5873 1 8 '1H-15N HSQC' . . . 5873 1 9 H(C)CH-TOCSY . . . 5873 1 10 2D-NOESY . . . 5873 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 5873 1 2 . 1 1 5 5 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5873 1 3 . 1 1 5 5 PRO HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5873 1 4 . 1 1 5 5 PRO HG2 H 1 1.93 0.02 . 1 . . . . . . . . 5873 1 5 . 1 1 5 5 PRO HG3 H 1 1.93 0.02 . 1 . . . . . . . . 5873 1 6 . 1 1 5 5 PRO HD2 H 1 3.97 0.02 . 2 . . . . . . . . 5873 1 7 . 1 1 5 5 PRO HD3 H 1 3.91 0.02 . 2 . . . . . . . . 5873 1 8 . 1 1 5 5 PRO CA C 13 62.4 0.1 . 1 . . . . . . . . 5873 1 9 . 1 1 5 5 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 5873 1 10 . 1 1 5 5 PRO CG C 13 26.8 0.2 . 1 . . . . . . . . 5873 1 11 . 1 1 5 5 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 5873 1 12 . 1 1 6 6 GLN H H 1 8.57 0.02 . 1 . . . . . . . . 5873 1 13 . 1 1 6 6 GLN HA H 1 4.47 0.02 . 1 . . . . . . . . 5873 1 14 . 1 1 6 6 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5873 1 15 . 1 1 6 6 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5873 1 16 . 1 1 6 6 GLN C C 13 174.8 0.1 . 1 . . . . . . . . 5873 1 17 . 1 1 6 6 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 5873 1 18 . 1 1 6 6 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 5873 1 19 . 1 1 6 6 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 5873 1 20 . 1 1 6 6 GLN N N 15 125.1 0.1 . 1 . . . . . . . . 5873 1 21 . 1 1 7 7 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 5873 1 22 . 1 1 7 7 ILE HA H 1 4.48 0.02 . 1 . . . . . . . . 5873 1 23 . 1 1 7 7 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 5873 1 24 . 1 1 7 7 ILE HG12 H 1 1.14 0.02 . 1 . . . . . . . . 5873 1 25 . 1 1 7 7 ILE HG13 H 1 1.14 0.02 . 1 . . . . . . . . 5873 1 26 . 1 1 7 7 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 5873 1 27 . 1 1 7 7 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 5873 1 28 . 1 1 7 7 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 5873 1 29 . 1 1 7 7 ILE HD11 H 1 0.36 0.02 . 1 . . . . . . . . 5873 1 30 . 1 1 7 7 ILE HD12 H 1 0.36 0.02 . 1 . . . . . . . . 5873 1 31 . 1 1 7 7 ILE HD13 H 1 0.36 0.02 . 1 . . . . . . . . 5873 1 32 . 1 1 7 7 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 5873 1 33 . 1 1 7 7 ILE CA C 13 58.6 0.1 . 1 . . . . . . . . 5873 1 34 . 1 1 7 7 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 5873 1 35 . 1 1 7 7 ILE CG1 C 13 25.3 0.2 . 1 . . . . . . . . 5873 1 36 . 1 1 7 7 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5873 1 37 . 1 1 7 7 ILE CD1 C 13 11.5 0.2 . 1 . . . . . . . . 5873 1 38 . 1 1 7 7 ILE N N 15 126.5 0.1 . 1 . . . . . . . . 5873 1 39 . 1 1 8 8 SER H H 1 9.00 0.02 . 1 . . . . . . . . 5873 1 40 . 1 1 8 8 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 5873 1 41 . 1 1 8 8 SER HB2 H 1 4.36 0.02 . 2 . . . . . . . . 5873 1 42 . 1 1 8 8 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 5873 1 43 . 1 1 8 8 SER C C 13 173.6 0.1 . 1 . . . . . . . . 5873 1 44 . 1 1 8 8 SER CA C 13 56.8 0.1 . 1 . . . . . . . . 5873 1 45 . 1 1 8 8 SER CB C 13 65.3 0.2 . 1 . . . . . . . . 5873 1 46 . 1 1 8 8 SER N N 15 126.2 0.1 . 1 . . . . . . . . 5873 1 47 . 1 1 9 9 ASP H H 1 8.75 0.02 . 1 . . . . . . . . 5873 1 48 . 1 1 9 9 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 5873 1 49 . 1 1 9 9 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5873 1 50 . 1 1 9 9 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5873 1 51 . 1 1 9 9 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 5873 1 52 . 1 1 9 9 ASP CA C 13 57.5 0.1 . 1 . . . . . . . . 5873 1 53 . 1 1 9 9 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5873 1 54 . 1 1 9 9 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 5873 1 55 . 1 1 10 10 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 5873 1 56 . 1 1 10 10 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5873 1 57 . 1 1 10 10 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5873 1 58 . 1 1 10 10 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5873 1 59 . 1 1 10 10 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5873 1 60 . 1 1 10 10 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5873 1 61 . 1 1 10 10 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5873 1 62 . 1 1 10 10 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5873 1 63 . 1 1 10 10 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 5873 1 64 . 1 1 11 11 GLU H H 1 7.41 0.02 . 1 . . . . . . . . 5873 1 65 . 1 1 11 11 GLU HA H 1 3.56 0.02 . 1 . . . . . . . . 5873 1 66 . 1 1 11 11 GLU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5873 1 67 . 1 1 11 11 GLU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5873 1 68 . 1 1 11 11 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 5873 1 69 . 1 1 11 11 GLU HG3 H 1 1.92 0.02 . 2 . . . . . . . . 5873 1 70 . 1 1 11 11 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5873 1 71 . 1 1 11 11 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5873 1 72 . 1 1 11 11 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 5873 1 73 . 1 1 11 11 GLU CG C 13 37.0 0.2 . 1 . . . . . . . . 5873 1 74 . 1 1 11 11 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 5873 1 75 . 1 1 12 12 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 5873 1 76 . 1 1 12 12 LEU HA H 1 3.71 0.02 . 1 . . . . . . . . 5873 1 77 . 1 1 12 12 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5873 1 78 . 1 1 12 12 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5873 1 79 . 1 1 12 12 LEU HG H 1 1.70 0.02 . 4 . . . . . . . . 5873 1 80 . 1 1 12 12 LEU HD11 H 1 1.06 0.02 . 2 . . . . . . . . 5873 1 81 . 1 1 12 12 LEU HD12 H 1 1.06 0.02 . 2 . . . . . . . . 5873 1 82 . 1 1 12 12 LEU HD13 H 1 1.06 0.02 . 2 . . . . . . . . 5873 1 83 . 1 1 12 12 LEU HD21 H 1 1.04 0.02 . 2 . . . . . . . . 5873 1 84 . 1 1 12 12 LEU HD22 H 1 1.04 0.02 . 2 . . . . . . . . 5873 1 85 . 1 1 12 12 LEU HD23 H 1 1.04 0.02 . 2 . . . . . . . . 5873 1 86 . 1 1 12 12 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5873 1 87 . 1 1 12 12 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 5873 1 88 . 1 1 12 12 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 5873 1 89 . 1 1 12 12 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 5873 1 90 . 1 1 12 12 LEU CD1 C 13 24.7 0.2 . 2 . . . . . . . . 5873 1 91 . 1 1 12 12 LEU CD2 C 13 23.8 0.2 . 2 . . . . . . . . 5873 1 92 . 1 1 12 12 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5873 1 93 . 1 1 13 13 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 5873 1 94 . 1 1 13 13 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 5873 1 95 . 1 1 13 13 GLU HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5873 1 96 . 1 1 13 13 GLU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5873 1 97 . 1 1 13 13 GLU HG2 H 1 2.54 0.02 . 2 . . . . . . . . 5873 1 98 . 1 1 13 13 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5873 1 99 . 1 1 13 13 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5873 1 100 . 1 1 13 13 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 5873 1 101 . 1 1 13 13 GLU CG C 13 35.6 0.2 . 1 . . . . . . . . 5873 1 102 . 1 1 13 13 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 5873 1 103 . 1 1 14 14 VAL H H 1 7.01 0.02 . 1 . . . . . . . . 5873 1 104 . 1 1 14 14 VAL HA H 1 3.49 0.02 . 1 . . . . . . . . 5873 1 105 . 1 1 14 14 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 5873 1 106 . 1 1 14 14 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 107 . 1 1 14 14 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 108 . 1 1 14 14 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 109 . 1 1 14 14 VAL HG21 H 1 0.48 0.02 . 2 . . . . . . . . 5873 1 110 . 1 1 14 14 VAL HG22 H 1 0.48 0.02 . 2 . . . . . . . . 5873 1 111 . 1 1 14 14 VAL HG23 H 1 0.48 0.02 . 2 . . . . . . . . 5873 1 112 . 1 1 14 14 VAL C C 13 177.4 0.1 . 1 . . . . . . . . 5873 1 113 . 1 1 14 14 VAL CA C 13 65.7 0.1 . 1 . . . . . . . . 5873 1 114 . 1 1 14 14 VAL CB C 13 30.6 0.2 . 1 . . . . . . . . 5873 1 115 . 1 1 14 14 VAL CG1 C 13 22.2 0.2 . 2 . . . . . . . . 5873 1 116 . 1 1 14 14 VAL CG2 C 13 21.5 0.2 . 2 . . . . . . . . 5873 1 117 . 1 1 14 14 VAL N N 15 120.5 0.1 . 1 . . . . . . . . 5873 1 118 . 1 1 15 15 MET H H 1 7.94 0.02 . 1 . . . . . . . . 5873 1 119 . 1 1 15 15 MET HA H 1 3.69 0.02 . 1 . . . . . . . . 5873 1 120 . 1 1 15 15 MET HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5873 1 121 . 1 1 15 15 MET HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5873 1 122 . 1 1 15 15 MET HG2 H 1 1.39 0.02 . 2 . . . . . . . . 5873 1 123 . 1 1 15 15 MET HG3 H 1 -0.11 0.02 . 2 . . . . . . . . 5873 1 124 . 1 1 15 15 MET C C 13 177.0 0.1 . 1 . . . . . . . . 5873 1 125 . 1 1 15 15 MET CA C 13 54.6 0.1 . 1 . . . . . . . . 5873 1 126 . 1 1 15 15 MET CB C 13 29.6 0.2 . 1 . . . . . . . . 5873 1 127 . 1 1 15 15 MET CG C 13 26.8 0.2 . 1 . . . . . . . . 5873 1 128 . 1 1 15 15 MET N N 15 119.7 0.1 . 1 . . . . . . . . 5873 1 129 . 1 1 16 16 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5873 1 130 . 1 1 16 16 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5873 1 131 . 1 1 16 16 LYS HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5873 1 132 . 1 1 16 16 LYS HG2 H 1 1.78 0.02 . 2 . . . . . . . . 5873 1 133 . 1 1 16 16 LYS HD2 H 1 1.46 0.02 . 2 . . . . . . . . 5873 1 134 . 1 1 16 16 LYS HE2 H 1 2.98 0.02 . 2 . . . . . . . . 5873 1 135 . 1 1 16 16 LYS C C 13 179.3 0.1 . 1 . . . . . . . . 5873 1 136 . 1 1 16 16 LYS CA C 13 60.5 0.1 . 1 . . . . . . . . 5873 1 137 . 1 1 16 16 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 5873 1 138 . 1 1 16 16 LYS CG C 13 29.6 0.2 . 1 . . . . . . . . 5873 1 139 . 1 1 16 16 LYS CD C 13 26.0 0.2 . 1 . . . . . . . . 5873 1 140 . 1 1 16 16 LYS CE C 13 35.8 0.2 . 1 . . . . . . . . 5873 1 141 . 1 1 16 16 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 5873 1 142 . 1 1 17 17 VAL H H 1 7.07 0.02 . 1 . . . . . . . . 5873 1 143 . 1 1 17 17 VAL HA H 1 3.84 0.02 . 1 . . . . . . . . 5873 1 144 . 1 1 17 17 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . 5873 1 145 . 1 1 17 17 VAL HG11 H 1 1.17 0.02 . 2 . . . . . . . . 5873 1 146 . 1 1 17 17 VAL HG12 H 1 1.17 0.02 . 2 . . . . . . . . 5873 1 147 . 1 1 17 17 VAL HG13 H 1 1.17 0.02 . 2 . . . . . . . . 5873 1 148 . 1 1 17 17 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 149 . 1 1 17 17 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 150 . 1 1 17 17 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 151 . 1 1 17 17 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 5873 1 152 . 1 1 17 17 VAL CA C 13 65.8 0.1 . 1 . . . . . . . . 5873 1 153 . 1 1 17 17 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5873 1 154 . 1 1 17 17 VAL CG1 C 13 22.2 0.2 . 1 . . . . . . . . 5873 1 155 . 1 1 17 17 VAL CG2 C 13 22.2 0.2 . 1 . . . . . . . . 5873 1 156 . 1 1 17 17 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 5873 1 157 . 1 1 18 18 ILE H H 1 7.32 0.02 . 1 . . . . . . . . 5873 1 158 . 1 1 18 18 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5873 1 159 . 1 1 18 18 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 5873 1 160 . 1 1 18 18 ILE HG12 H 1 1.41 0.02 . 1 . . . . . . . . 5873 1 161 . 1 1 18 18 ILE HG13 H 1 1.15 0.02 . 2 . . . . . . . . 5873 1 162 . 1 1 18 18 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 5873 1 163 . 1 1 18 18 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 5873 1 164 . 1 1 18 18 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 5873 1 165 . 1 1 18 18 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 5873 1 166 . 1 1 18 18 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 5873 1 167 . 1 1 18 18 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 5873 1 168 . 1 1 18 18 ILE C C 13 178.1 0.1 . 1 . . . . . . . . 5873 1 169 . 1 1 18 18 ILE CA C 13 64.4 0.1 . 1 . . . . . . . . 5873 1 170 . 1 1 18 18 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 5873 1 171 . 1 1 18 18 ILE CG1 C 13 27.8 0.2 . 1 . . . . . . . . 5873 1 172 . 1 1 18 18 ILE CG2 C 13 16.3 0.2 . 1 . . . . . . . . 5873 1 173 . 1 1 18 18 ILE CD1 C 13 12.6 0.2 . 1 . . . . . . . . 5873 1 174 . 1 1 18 18 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5873 1 175 . 1 1 19 19 TRP H H 1 9.37 0.02 . 1 . . . . . . . . 5873 1 176 . 1 1 19 19 TRP HA H 1 4.59 0.02 . 1 . . . . . . . . 5873 1 177 . 1 1 19 19 TRP HB2 H 1 3.22 0.02 . 2 . . . . . . . . 5873 1 178 . 1 1 19 19 TRP HD1 H 1 7.37 0.02 . 1 . . . . . . . . 5873 1 179 . 1 1 19 19 TRP HE1 H 1 10.17 0.02 . 1 . . . . . . . . 5873 1 180 . 1 1 19 19 TRP HE3 H 1 7.42 0.02 . 1 . . . . . . . . 5873 1 181 . 1 1 19 19 TRP HZ2 H 1 6.78 0.02 . 1 . . . . . . . . 5873 1 182 . 1 1 19 19 TRP HZ3 H 1 6.82 0.02 . 1 . . . . . . . . 5873 1 183 . 1 1 19 19 TRP HH2 H 1 6.54 0.02 . 1 . . . . . . . . 5873 1 184 . 1 1 19 19 TRP C C 13 178.2 0.1 . 1 . . . . . . . . 5873 1 185 . 1 1 19 19 TRP CA C 13 60.1 0.1 . 1 . . . . . . . . 5873 1 186 . 1 1 19 19 TRP CB C 13 27.7 0.2 . 1 . . . . . . . . 5873 1 187 . 1 1 19 19 TRP CD1 C 13 124.5 0.2 . 1 . . . . . . . . 5873 1 188 . 1 1 19 19 TRP CE3 C 13 121.6 0.2 . 1 . . . . . . . . 5873 1 189 . 1 1 19 19 TRP CZ2 C 13 113.0 0.2 . 1 . . . . . . . . 5873 1 190 . 1 1 19 19 TRP CZ3 C 13 119.8 0.2 . 1 . . . . . . . . 5873 1 191 . 1 1 19 19 TRP CH2 C 13 123.2 0.2 . 1 . . . . . . . . 5873 1 192 . 1 1 19 19 TRP N N 15 121.4 0.1 . 1 . . . . . . . . 5873 1 193 . 1 1 19 19 TRP NE1 N 15 130.6 0.1 . 1 . . . . . . . . 5873 1 194 . 1 1 20 20 LYS H H 1 7.48 0.02 . 1 . . . . . . . . 5873 1 195 . 1 1 20 20 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5873 1 196 . 1 1 20 20 LYS HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5873 1 197 . 1 1 20 20 LYS HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5873 1 198 . 1 1 20 20 LYS HG2 H 1 1.85 0.02 . 2 . . . . . . . . 5873 1 199 . 1 1 20 20 LYS HG3 H 1 1.65 0.02 . 2 . . . . . . . . 5873 1 200 . 1 1 20 20 LYS HD2 H 1 1.38 0.02 . 2 . . . . . . . . 5873 1 201 . 1 1 20 20 LYS HD3 H 1 1.12 0.02 . 2 . . . . . . . . 5873 1 202 . 1 1 20 20 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 5873 1 203 . 1 1 20 20 LYS C C 13 176.8 0.1 . 1 . . . . . . . . 5873 1 204 . 1 1 20 20 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 5873 1 205 . 1 1 20 20 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 5873 1 206 . 1 1 20 20 LYS CG C 13 28.8 0.2 . 1 . . . . . . . . 5873 1 207 . 1 1 20 20 LYS CD C 13 24.3 0.2 . 1 . . . . . . . . 5873 1 208 . 1 1 20 20 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 5873 1 209 . 1 1 20 20 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5873 1 210 . 1 1 21 21 HIS H H 1 7.61 0.02 . 1 . . . . . . . . 5873 1 211 . 1 1 21 21 HIS HA H 1 4.62 0.02 . 1 . . . . . . . . 5873 1 212 . 1 1 21 21 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5873 1 213 . 1 1 21 21 HIS HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5873 1 214 . 1 1 21 21 HIS C C 13 175.4 0.1 . 1 . . . . . . . . 5873 1 215 . 1 1 21 21 HIS CA C 13 56.8 0.1 . 1 . . . . . . . . 5873 1 216 . 1 1 21 21 HIS CB C 13 31.9 0.2 . 1 . . . . . . . . 5873 1 217 . 1 1 21 21 HIS N N 15 118.8 0.1 . 1 . . . . . . . . 5873 1 218 . 1 1 22 22 SER H H 1 8.65 0.02 . 1 . . . . . . . . 5873 1 219 . 1 1 22 22 SER HA H 1 4.07 0.02 . 1 . . . . . . . . 5873 1 220 . 1 1 22 22 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5873 1 221 . 1 1 22 22 SER HB3 H 1 4.33 0.02 . 2 . . . . . . . . 5873 1 222 . 1 1 22 22 SER C C 13 174.2 0.1 . 1 . . . . . . . . 5873 1 223 . 1 1 22 22 SER CA C 13 63.6 0.1 . 1 . . . . . . . . 5873 1 224 . 1 1 22 22 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 5873 1 225 . 1 1 22 22 SER N N 15 119.4 0.1 . 1 . . . . . . . . 5873 1 226 . 1 1 23 23 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5873 1 227 . 1 1 23 23 SER HA H 1 5.05 0.02 . 1 . . . . . . . . 5873 1 228 . 1 1 23 23 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5873 1 229 . 1 1 23 23 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 5873 1 230 . 1 1 23 23 SER C C 13 173.1 0.1 . 1 . . . . . . . . 5873 1 231 . 1 1 23 23 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 5873 1 232 . 1 1 23 23 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 5873 1 233 . 1 1 23 23 SER N N 15 118.3 0.1 . 1 . . . . . . . . 5873 1 234 . 1 1 24 24 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5873 1 235 . 1 1 24 24 ILE HA H 1 4.73 0.02 . 1 . . . . . . . . 5873 1 236 . 1 1 24 24 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 5873 1 237 . 1 1 24 24 ILE HG12 H 1 1.61 0.02 . 2 . . . . . . . . 5873 1 238 . 1 1 24 24 ILE HG13 H 1 1.45 0.02 . 2 . . . . . . . . 5873 1 239 . 1 1 24 24 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5873 1 240 . 1 1 24 24 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5873 1 241 . 1 1 24 24 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5873 1 242 . 1 1 24 24 ILE HD11 H 1 0.30 0.02 . 1 . . . . . . . . 5873 1 243 . 1 1 24 24 ILE HD12 H 1 0.30 0.02 . 1 . . . . . . . . 5873 1 244 . 1 1 24 24 ILE HD13 H 1 0.30 0.02 . 1 . . . . . . . . 5873 1 245 . 1 1 24 24 ILE C C 13 171.8 0.1 . 1 . . . . . . . . 5873 1 246 . 1 1 24 24 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 5873 1 247 . 1 1 24 24 ILE CB C 13 40.0 0.2 . 1 . . . . . . . . 5873 1 248 . 1 1 24 24 ILE CG1 C 13 28.1 0.2 . 1 . . . . . . . . 5873 1 249 . 1 1 24 24 ILE CG2 C 13 15.5 0.2 . 1 . . . . . . . . 5873 1 250 . 1 1 24 24 ILE CD1 C 13 13.0 0.2 . 1 . . . . . . . . 5873 1 251 . 1 1 24 24 ILE N N 15 125.3 0.1 . 1 . . . . . . . . 5873 1 252 . 1 1 25 25 ASN H H 1 8.76 0.02 . 1 . . . . . . . . 5873 1 253 . 1 1 25 25 ASN HA H 1 5.91 0.02 . 1 . . . . . . . . 5873 1 254 . 1 1 25 25 ASN HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5873 1 255 . 1 1 25 25 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5873 1 256 . 1 1 25 25 ASN C C 13 176.3 0.1 . 1 . . . . . . . . 5873 1 257 . 1 1 25 25 ASN CA C 13 51.2 0.1 . 1 . . . . . . . . 5873 1 258 . 1 1 25 25 ASN CB C 13 39.9 0.2 . 1 . . . . . . . . 5873 1 259 . 1 1 25 25 ASN N N 15 127.9 0.1 . 1 . . . . . . . . 5873 1 260 . 1 1 26 26 THR H H 1 8.38 0.02 . 1 . . . . . . . . 5873 1 261 . 1 1 26 26 THR HA H 1 3.76 0.02 . 1 . . . . . . . . 5873 1 262 . 1 1 26 26 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 5873 1 263 . 1 1 26 26 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 264 . 1 1 26 26 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 265 . 1 1 26 26 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 266 . 1 1 26 26 THR C C 13 174.8 0.1 . 1 . . . . . . . . 5873 1 267 . 1 1 26 26 THR CA C 13 67.4 0.1 . 1 . . . . . . . . 5873 1 268 . 1 1 26 26 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 5873 1 269 . 1 1 26 26 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5873 1 270 . 1 1 26 26 THR N N 15 114.6 0.1 . 1 . . . . . . . . 5873 1 271 . 1 1 27 27 ASN H H 1 7.92 0.02 . 1 . . . . . . . . 5873 1 272 . 1 1 27 27 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5873 1 273 . 1 1 27 27 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5873 1 274 . 1 1 27 27 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5873 1 275 . 1 1 27 27 ASN C C 13 177.8 0.1 . 1 . . . . . . . . 5873 1 276 . 1 1 27 27 ASN CA C 13 56.0 0.1 . 1 . . . . . . . . 5873 1 277 . 1 1 27 27 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . 5873 1 278 . 1 1 27 27 ASN N N 15 119.8 0.1 . 1 . . . . . . . . 5873 1 279 . 1 1 28 28 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 5873 1 280 . 1 1 28 28 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 5873 1 281 . 1 1 28 28 GLU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5873 1 282 . 1 1 28 28 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5873 1 283 . 1 1 28 28 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5873 1 284 . 1 1 28 28 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5873 1 285 . 1 1 28 28 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5873 1 286 . 1 1 28 28 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5873 1 287 . 1 1 28 28 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 5873 1 288 . 1 1 28 28 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5873 1 289 . 1 1 28 28 GLU N N 15 124.2 0.1 . 1 . . . . . . . . 5873 1 290 . 1 1 29 29 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 5873 1 291 . 1 1 29 29 VAL HA H 1 3.42 0.02 . 1 . . . . . . . . 5873 1 292 . 1 1 29 29 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 5873 1 293 . 1 1 29 29 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 294 . 1 1 29 29 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 295 . 1 1 29 29 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 296 . 1 1 29 29 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 5873 1 297 . 1 1 29 29 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 5873 1 298 . 1 1 29 29 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 5873 1 299 . 1 1 29 29 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 5873 1 300 . 1 1 29 29 VAL CA C 13 66.8 0.1 . 1 . . . . . . . . 5873 1 301 . 1 1 29 29 VAL CB C 13 30.9 0.2 . 1 . . . . . . . . 5873 1 302 . 1 1 29 29 VAL CG1 C 13 23.1 0.2 . 2 . . . . . . . . 5873 1 303 . 1 1 29 29 VAL CG2 C 13 21.6 0.2 . 2 . . . . . . . . 5873 1 304 . 1 1 29 29 VAL N N 15 123.4 0.1 . 1 . . . . . . . . 5873 1 305 . 1 1 30 30 ILE H H 1 7.84 0.02 . 1 . . . . . . . . 5873 1 306 . 1 1 30 30 ILE HA H 1 3.60 0.02 . 1 . . . . . . . . 5873 1 307 . 1 1 30 30 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 5873 1 308 . 1 1 30 30 ILE HG12 H 1 1.96 0.02 . 2 . . . . . . . . 5873 1 309 . 1 1 30 30 ILE HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5873 1 310 . 1 1 30 30 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 5873 1 311 . 1 1 30 30 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 5873 1 312 . 1 1 30 30 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 5873 1 313 . 1 1 30 30 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 5873 1 314 . 1 1 30 30 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 5873 1 315 . 1 1 30 30 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 5873 1 316 . 1 1 30 30 ILE C C 13 178.3 0.1 . 1 . . . . . . . . 5873 1 317 . 1 1 30 30 ILE CA C 13 65.5 0.1 . 1 . . . . . . . . 5873 1 318 . 1 1 30 30 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5873 1 319 . 1 1 30 30 ILE CG1 C 13 29.9 0.2 . 1 . . . . . . . . 5873 1 320 . 1 1 30 30 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5873 1 321 . 1 1 30 30 ILE CD1 C 13 14.0 0.2 . 1 . . . . . . . . 5873 1 322 . 1 1 30 30 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 5873 1 323 . 1 1 31 31 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 5873 1 324 . 1 1 31 31 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 5873 1 325 . 1 1 31 31 LYS HB2 H 1 1.42 0.02 . 2 . . . . . . . . 5873 1 326 . 1 1 31 31 LYS HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5873 1 327 . 1 1 31 31 LYS HD2 H 1 1.96 0.02 . 2 . . . . . . . . 5873 1 328 . 1 1 31 31 LYS HD3 H 1 1.57 0.02 . 2 . . . . . . . . 5873 1 329 . 1 1 31 31 LYS HE2 H 1 3.00 0.02 . 2 . . . . . . . . 5873 1 330 . 1 1 31 31 LYS C C 13 179.2 0.1 . 1 . . . . . . . . 5873 1 331 . 1 1 31 31 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5873 1 332 . 1 1 31 31 LYS CB C 13 31.9 0.2 . 1 . . . . . . . . 5873 1 333 . 1 1 31 31 LYS CG C 13 28.8 0.2 . 1 . . . . . . . . 5873 1 334 . 1 1 31 31 LYS CD C 13 24.3 0.2 . 1 . . . . . . . . 5873 1 335 . 1 1 31 31 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 5873 1 336 . 1 1 32 32 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 5873 1 337 . 1 1 32 32 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5873 1 338 . 1 1 32 32 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5873 1 339 . 1 1 32 32 GLU HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5873 1 340 . 1 1 32 32 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 5873 1 341 . 1 1 32 32 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 5873 1 342 . 1 1 32 32 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5873 1 343 . 1 1 32 32 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5873 1 344 . 1 1 32 32 GLU CG C 13 35.5 0.2 . 1 . . . . . . . . 5873 1 345 . 1 1 32 32 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 5873 1 346 . 1 1 33 33 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 5873 1 347 . 1 1 33 33 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5873 1 348 . 1 1 33 33 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5873 1 349 . 1 1 33 33 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5873 1 350 . 1 1 33 33 LEU HG H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 351 . 1 1 33 33 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 352 . 1 1 33 33 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 353 . 1 1 33 33 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 354 . 1 1 33 33 LEU C C 13 179.1 0.1 . 1 . . . . . . . . 5873 1 355 . 1 1 33 33 LEU CA C 13 56.3 0.1 . 1 . . . . . . . . 5873 1 356 . 1 1 33 33 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 5873 1 357 . 1 1 33 33 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 5873 1 358 . 1 1 33 33 LEU CD1 C 13 23.2 0.2 . 2 . . . . . . . . 5873 1 359 . 1 1 33 33 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 5873 1 360 . 1 1 34 34 SER H H 1 8.15 0.02 . 1 . . . . . . . . 5873 1 361 . 1 1 34 34 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5873 1 362 . 1 1 34 34 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5873 1 363 . 1 1 34 34 SER C C 13 174.2 0.1 . 1 . . . . . . . . 5873 1 364 . 1 1 34 34 SER CA C 13 60.8 0.1 . 1 . . . . . . . . 5873 1 365 . 1 1 34 34 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 5873 1 366 . 1 1 34 34 SER N N 15 119.2 0.1 . 1 . . . . . . . . 5873 1 367 . 1 1 35 35 LYS H H 1 7.23 0.02 . 1 . . . . . . . . 5873 1 368 . 1 1 35 35 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5873 1 369 . 1 1 35 35 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5873 1 370 . 1 1 35 35 LYS HG2 H 1 1.49 0.02 . 2 . . . . . . . . 5873 1 371 . 1 1 35 35 LYS HG3 H 1 1.78 0.02 . 2 . . . . . . . . 5873 1 372 . 1 1 35 35 LYS HD2 H 1 1.73 0.02 . 2 . . . . . . . . 5873 1 373 . 1 1 35 35 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 5873 1 374 . 1 1 35 35 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 5873 1 375 . 1 1 35 35 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5873 1 376 . 1 1 35 35 LYS CG C 13 29.0 0.2 . 1 . . . . . . . . 5873 1 377 . 1 1 35 35 LYS CD C 13 25.0 0.2 . 1 . . . . . . . . 5873 1 378 . 1 1 35 35 LYS CE C 13 41.5 0.2 . 1 . . . . . . . . 5873 1 379 . 1 1 35 35 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5873 1 380 . 1 1 36 36 THR H H 1 7.24 0.02 . 1 . . . . . . . . 5873 1 381 . 1 1 36 36 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 5873 1 382 . 1 1 36 36 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 5873 1 383 . 1 1 36 36 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5873 1 384 . 1 1 36 36 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5873 1 385 . 1 1 36 36 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5873 1 386 . 1 1 36 36 THR C C 13 173.3 0.1 . 1 . . . . . . . . 5873 1 387 . 1 1 36 36 THR CA C 13 60.9 0.1 . 1 . . . . . . . . 5873 1 388 . 1 1 36 36 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5873 1 389 . 1 1 36 36 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5873 1 390 . 1 1 36 36 THR N N 15 108.2 0.1 . 1 . . . . . . . . 5873 1 391 . 1 1 37 37 SER H H 1 7.87 0.02 . 1 . . . . . . . . 5873 1 392 . 1 1 37 37 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5873 1 393 . 1 1 37 37 SER HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5873 1 394 . 1 1 37 37 SER HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5873 1 395 . 1 1 37 37 SER C C 13 173.7 0.1 . 1 . . . . . . . . 5873 1 396 . 1 1 37 37 SER CA C 13 57.3 0.1 . 1 . . . . . . . . 5873 1 397 . 1 1 37 37 SER CB C 13 65.6 0.2 . 1 . . . . . . . . 5873 1 398 . 1 1 37 37 SER N N 15 120.5 0.1 . 1 . . . . . . . . 5873 1 399 . 1 1 38 38 THR H H 1 7.89 0.02 . 1 . . . . . . . . 5873 1 400 . 1 1 38 38 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5873 1 401 . 1 1 38 38 THR HB H 1 4.40 0.02 . 4 . . . . . . . . 5873 1 402 . 1 1 38 38 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5873 1 403 . 1 1 38 38 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5873 1 404 . 1 1 38 38 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5873 1 405 . 1 1 38 38 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5873 1 406 . 1 1 38 38 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 5873 1 407 . 1 1 38 38 THR CB C 13 67.9 0.2 . 1 . . . . . . . . 5873 1 408 . 1 1 38 38 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . 5873 1 409 . 1 1 38 38 THR N N 15 113.5 0.1 . 1 . . . . . . . . 5873 1 410 . 1 1 39 39 TRP H H 1 7.42 0.02 . 1 . . . . . . . . 5873 1 411 . 1 1 39 39 TRP HA H 1 4.87 0.02 . 1 . . . . . . . . 5873 1 412 . 1 1 39 39 TRP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5873 1 413 . 1 1 39 39 TRP HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5873 1 414 . 1 1 39 39 TRP HD1 H 1 7.27 0.02 . 1 . . . . . . . . 5873 1 415 . 1 1 39 39 TRP HE1 H 1 10.23 0.02 . 1 . . . . . . . . 5873 1 416 . 1 1 39 39 TRP HE3 H 1 7.32 0.02 . 1 . . . . . . . . 5873 1 417 . 1 1 39 39 TRP HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 5873 1 418 . 1 1 39 39 TRP HZ3 H 1 6.89 0.02 . 1 . . . . . . . . 5873 1 419 . 1 1 39 39 TRP HH2 H 1 7.32 0.02 . 1 . . . . . . . . 5873 1 420 . 1 1 39 39 TRP C C 13 175.7 0.1 . 1 . . . . . . . . 5873 1 421 . 1 1 39 39 TRP CA C 13 55.8 0.1 . 1 . . . . . . . . 5873 1 422 . 1 1 39 39 TRP CB C 13 29.6 0.2 . 1 . . . . . . . . 5873 1 423 . 1 1 39 39 TRP CD1 C 13 125.5 0.2 . 1 . . . . . . . . 5873 1 424 . 1 1 39 39 TRP CE3 C 13 120.6 0.2 . 1 . . . . . . . . 5873 1 425 . 1 1 39 39 TRP CZ2 C 13 114.0 0.2 . 1 . . . . . . . . 5873 1 426 . 1 1 39 39 TRP CZ3 C 13 119.8 0.2 . 1 . . . . . . . . 5873 1 427 . 1 1 39 39 TRP CH2 C 13 124.1 0.2 . 1 . . . . . . . . 5873 1 428 . 1 1 39 39 TRP N N 15 125.1 0.1 . 1 . . . . . . . . 5873 1 429 . 1 1 39 39 TRP NE1 N 15 131.7 0.1 . 1 . . . . . . . . 5873 1 430 . 1 1 40 40 SER H H 1 8.77 0.02 . 1 . . . . . . . . 5873 1 431 . 1 1 40 40 SER C C 13 172.9 0.1 . 1 . . . . . . . . 5873 1 432 . 1 1 40 40 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5873 1 433 . 1 1 40 40 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 5873 1 434 . 1 1 40 40 SER N N 15 121.4 0.1 . 1 . . . . . . . . 5873 1 435 . 1 1 41 41 PRO HA H 1 4.08 0.02 . 1 . . . . . . . . 5873 1 436 . 1 1 41 41 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5873 1 437 . 1 1 41 41 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 5873 1 438 . 1 1 41 41 PRO HD2 H 1 4.02 0.02 . 2 . . . . . . . . 5873 1 439 . 1 1 41 41 PRO CA C 13 65.9 0.1 . 1 . . . . . . . . 5873 1 440 . 1 1 41 41 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 5873 1 441 . 1 1 41 41 PRO CG C 13 27.7 0.2 . 1 . . . . . . . . 5873 1 442 . 1 1 41 41 PRO CD C 13 49.6 0.2 . 1 . . . . . . . . 5873 1 443 . 1 1 42 42 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 5873 1 444 . 1 1 42 42 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5873 1 445 . 1 1 42 42 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5873 1 446 . 1 1 42 42 LYS HB3 H 1 1.78 0.02 . 4 . . . . . . . . 5873 1 447 . 1 1 42 42 LYS HD2 H 1 1.54 0.02 . 4 . . . . . . . . 5873 1 448 . 1 1 42 42 LYS HD3 H 1 1.87 0.02 . 4 . . . . . . . . 5873 1 449 . 1 1 42 42 LYS HG2 H 1 1.62 0.02 . 4 . . . . . . . . 5873 1 450 . 1 1 42 42 LYS HG3 H 1 1.42 0.02 . 4 . . . . . . . . 5873 1 451 . 1 1 42 42 LYS HE2 H 1 3.00 0.02 . 2 . . . . . . . . 5873 1 452 . 1 1 42 42 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 5873 1 453 . 1 1 42 42 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 5873 1 454 . 1 1 42 42 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 5873 1 455 . 1 1 42 42 LYS CG C 13 28.6 0.2 . 1 . . . . . . . . 5873 1 456 . 1 1 42 42 LYS CD C 13 24.5 0.2 . 1 . . . . . . . . 5873 1 457 . 1 1 42 42 LYS CE C 13 40.7 0.2 . 1 . . . . . . . . 5873 1 458 . 1 1 42 42 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 5873 1 459 . 1 1 43 43 THR H H 1 7.87 0.02 . 1 . . . . . . . . 5873 1 460 . 1 1 43 43 THR HA H 1 3.74 0.02 . 1 . . . . . . . . 5873 1 461 . 1 1 43 43 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 5873 1 462 . 1 1 43 43 THR HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5873 1 463 . 1 1 43 43 THR HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5873 1 464 . 1 1 43 43 THR HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5873 1 465 . 1 1 43 43 THR C C 13 175.9 0.1 . 1 . . . . . . . . 5873 1 466 . 1 1 43 43 THR CA C 13 66.2 0.1 . 1 . . . . . . . . 5873 1 467 . 1 1 43 43 THR CB C 13 67.9 0.2 . 1 . . . . . . . . 5873 1 468 . 1 1 43 43 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 5873 1 469 . 1 1 43 43 THR N N 15 122.6 0.1 . 1 . . . . . . . . 5873 1 470 . 1 1 44 44 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 5873 1 471 . 1 1 44 44 ILE HA H 1 3.25 0.02 . 1 . . . . . . . . 5873 1 472 . 1 1 44 44 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 5873 1 473 . 1 1 44 44 ILE HG12 H 1 1.88 0.02 . 2 . . . . . . . . 5873 1 474 . 1 1 44 44 ILE HG13 H 1 0.80 0.02 . 2 . . . . . . . . 5873 1 475 . 1 1 44 44 ILE HG21 H 1 0.68 0.02 . 1 . . . . . . . . 5873 1 476 . 1 1 44 44 ILE HG22 H 1 0.68 0.02 . 1 . . . . . . . . 5873 1 477 . 1 1 44 44 ILE HG23 H 1 0.68 0.02 . 1 . . . . . . . . 5873 1 478 . 1 1 44 44 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5873 1 479 . 1 1 44 44 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5873 1 480 . 1 1 44 44 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5873 1 481 . 1 1 44 44 ILE C C 13 176.7 0.1 . 1 . . . . . . . . 5873 1 482 . 1 1 44 44 ILE CA C 13 65.8 0.1 . 1 . . . . . . . . 5873 1 483 . 1 1 44 44 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 5873 1 484 . 1 1 44 44 ILE CG1 C 13 29.6 0.2 . 1 . . . . . . . . 5873 1 485 . 1 1 44 44 ILE CG2 C 13 17.5 0.2 . 1 . . . . . . . . 5873 1 486 . 1 1 44 44 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 5873 1 487 . 1 1 44 44 ILE N N 15 124.9 0.1 . 1 . . . . . . . . 5873 1 488 . 1 1 45 45 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5873 1 489 . 1 1 45 45 GLN HA H 1 3.89 0.02 . 1 . . . . . . . . 5873 1 490 . 1 1 45 45 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5873 1 491 . 1 1 45 45 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5873 1 492 . 1 1 45 45 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5873 1 493 . 1 1 45 45 GLN HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5873 1 494 . 1 1 45 45 GLN C C 13 178.1 0.1 . 1 . . . . . . . . 5873 1 495 . 1 1 45 45 GLN CA C 13 59.4 0.1 . 1 . . . . . . . . 5873 1 496 . 1 1 45 45 GLN CB C 13 28.0 0.2 . 1 . . . . . . . . 5873 1 497 . 1 1 45 45 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 5873 1 498 . 1 1 45 45 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 5873 1 499 . 1 1 46 46 THR H H 1 8.07 0.02 . 1 . . . . . . . . 5873 1 500 . 1 1 46 46 THR HA H 1 3.84 0.02 . 1 . . . . . . . . 5873 1 501 . 1 1 46 46 THR HB H 1 4.31 0.02 . 1 . . . . . . . . 5873 1 502 . 1 1 46 46 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 503 . 1 1 46 46 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 504 . 1 1 46 46 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 505 . 1 1 46 46 THR C C 13 175.9 0.1 . 1 . . . . . . . . 5873 1 506 . 1 1 46 46 THR CA C 13 66.5 0.1 . 1 . . . . . . . . 5873 1 507 . 1 1 46 46 THR CB C 13 67.9 0.2 . 1 . . . . . . . . 5873 1 508 . 1 1 46 46 THR CG2 C 13 21.0 0.2 . 1 . . . . . . . . 5873 1 509 . 1 1 46 46 THR N N 15 119.5 0.1 . 1 . . . . . . . . 5873 1 510 . 1 1 47 47 MET H H 1 7.90 0.02 . 1 . . . . . . . . 5873 1 511 . 1 1 47 47 MET HA H 1 3.88 0.02 . 1 . . . . . . . . 5873 1 512 . 1 1 47 47 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5873 1 513 . 1 1 47 47 MET HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5873 1 514 . 1 1 47 47 MET HG2 H 1 2.48 0.02 . 2 . . . . . . . . 5873 1 515 . 1 1 47 47 MET HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5873 1 516 . 1 1 47 47 MET C C 13 177.7 0.1 . 1 . . . . . . . . 5873 1 517 . 1 1 47 47 MET CA C 13 59.5 0.1 . 1 . . . . . . . . 5873 1 518 . 1 1 47 47 MET CB C 13 33.2 0.2 . 1 . . . . . . . . 5873 1 519 . 1 1 47 47 MET CG C 13 31.6 0.2 . 1 . . . . . . . . 5873 1 520 . 1 1 47 47 MET N N 15 124.1 0.1 . 1 . . . . . . . . 5873 1 521 . 1 1 48 48 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 5873 1 522 . 1 1 48 48 LEU HA H 1 3.53 0.02 . 1 . . . . . . . . 5873 1 523 . 1 1 48 48 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5873 1 524 . 1 1 48 48 LEU HB3 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 525 . 1 1 48 48 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 5873 1 526 . 1 1 48 48 LEU HD11 H 1 0.58 0.02 . 2 . . . . . . . . 5873 1 527 . 1 1 48 48 LEU HD12 H 1 0.58 0.02 . 2 . . . . . . . . 5873 1 528 . 1 1 48 48 LEU HD13 H 1 0.58 0.02 . 2 . . . . . . . . 5873 1 529 . 1 1 48 48 LEU HD21 H 1 -0.09 0.02 . 2 . . . . . . . . 5873 1 530 . 1 1 48 48 LEU HD22 H 1 -0.09 0.02 . 2 . . . . . . . . 5873 1 531 . 1 1 48 48 LEU HD23 H 1 -0.09 0.02 . 2 . . . . . . . . 5873 1 532 . 1 1 48 48 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 5873 1 533 . 1 1 48 48 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5873 1 534 . 1 1 48 48 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 5873 1 535 . 1 1 48 48 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 5873 1 536 . 1 1 48 48 LEU CD1 C 13 24.9 0.2 . 2 . . . . . . . . 5873 1 537 . 1 1 48 48 LEU CD2 C 13 22.0 0.2 . 2 . . . . . . . . 5873 1 538 . 1 1 48 48 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5873 1 539 . 1 1 49 49 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 5873 1 540 . 1 1 49 49 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 5873 1 541 . 1 1 49 49 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5873 1 542 . 1 1 49 49 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5873 1 543 . 1 1 49 49 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5873 1 544 . 1 1 49 49 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 545 . 1 1 49 49 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 546 . 1 1 49 49 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5873 1 547 . 1 1 49 49 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 548 . 1 1 49 49 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 549 . 1 1 49 49 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 5873 1 550 . 1 1 49 49 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5873 1 551 . 1 1 49 49 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 5873 1 552 . 1 1 49 49 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 5873 1 553 . 1 1 49 49 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 5873 1 554 . 1 1 49 49 LEU CD1 C 13 24.2 0.2 . 2 . . . . . . . . 5873 1 555 . 1 1 49 49 LEU CD2 C 13 22.9 0.2 . 2 . . . . . . . . 5873 1 556 . 1 1 49 49 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5873 1 557 . 1 1 50 50 ARG H H 1 7.95 0.02 . 1 . . . . . . . . 5873 1 558 . 1 1 50 50 ARG HA H 1 3.96 0.02 . 1 . . . . . . . . 5873 1 559 . 1 1 50 50 ARG HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5873 1 560 . 1 1 50 50 ARG HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5873 1 561 . 1 1 50 50 ARG HG2 H 1 1.81 0.02 . 2 . . . . . . . . 5873 1 562 . 1 1 50 50 ARG HG3 H 1 1.61 0.02 . 2 . . . . . . . . 5873 1 563 . 1 1 50 50 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 5873 1 564 . 1 1 50 50 ARG C C 13 178.6 0.1 . 1 . . . . . . . . 5873 1 565 . 1 1 50 50 ARG CA C 13 59.0 0.1 . 1 . . . . . . . . 5873 1 566 . 1 1 50 50 ARG CB C 13 29.4 0.2 . 1 . . . . . . . . 5873 1 567 . 1 1 50 50 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 5873 1 568 . 1 1 50 50 ARG CD C 13 43.2 0.2 . 1 . . . . . . . . 5873 1 569 . 1 1 50 50 ARG N N 15 123.2 0.1 . 1 . . . . . . . . 5873 1 570 . 1 1 51 51 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 5873 1 571 . 1 1 51 51 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 5873 1 572 . 1 1 51 51 LEU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5873 1 573 . 1 1 51 51 LEU HB3 H 1 1.07 0.02 . 2 . . . . . . . . 5873 1 574 . 1 1 51 51 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 5873 1 575 . 1 1 51 51 LEU HD11 H 1 0.56 0.02 . 2 . . . . . . . . 5873 1 576 . 1 1 51 51 LEU HD12 H 1 0.56 0.02 . 2 . . . . . . . . 5873 1 577 . 1 1 51 51 LEU HD13 H 1 0.56 0.02 . 2 . . . . . . . . 5873 1 578 . 1 1 51 51 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 5873 1 579 . 1 1 51 51 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 5873 1 580 . 1 1 51 51 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 5873 1 581 . 1 1 51 51 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 5873 1 582 . 1 1 51 51 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 5873 1 583 . 1 1 51 51 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 5873 1 584 . 1 1 51 51 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 5873 1 585 . 1 1 51 51 LEU CD1 C 13 24.0 0.2 . 2 . . . . . . . . 5873 1 586 . 1 1 51 51 LEU CD2 C 13 22.5 0.2 . 2 . . . . . . . . 5873 1 587 . 1 1 51 51 LEU N N 15 122.8 0.1 . 1 . . . . . . . . 5873 1 588 . 1 1 52 52 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 5873 1 589 . 1 1 52 52 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 5873 1 590 . 1 1 52 52 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 5873 1 591 . 1 1 52 52 ILE HG12 H 1 1.66 0.02 . 2 . . . . . . . . 5873 1 592 . 1 1 52 52 ILE HG13 H 1 0.79 0.02 . 2 . . . . . . . . 5873 1 593 . 1 1 52 52 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 594 . 1 1 52 52 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 595 . 1 1 52 52 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 596 . 1 1 52 52 ILE HD11 H 1 0.40 0.02 . 1 . . . . . . . . 5873 1 597 . 1 1 52 52 ILE HD12 H 1 0.40 0.02 . 1 . . . . . . . . 5873 1 598 . 1 1 52 52 ILE HD13 H 1 0.40 0.02 . 1 . . . . . . . . 5873 1 599 . 1 1 52 52 ILE C C 13 179.7 0.1 . 1 . . . . . . . . 5873 1 600 . 1 1 52 52 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 5873 1 601 . 1 1 52 52 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5873 1 602 . 1 1 52 52 ILE CG1 C 13 28.0 0.2 . 1 . . . . . . . . 5873 1 603 . 1 1 52 52 ILE CG2 C 13 16.3 0.2 . 1 . . . . . . . . 5873 1 604 . 1 1 52 52 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 5873 1 605 . 1 1 52 52 ILE N N 15 124.8 0.1 . 1 . . . . . . . . 5873 1 606 . 1 1 53 53 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 5873 1 607 . 1 1 53 53 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5873 1 608 . 1 1 53 53 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5873 1 609 . 1 1 53 53 LYS HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5873 1 610 . 1 1 53 53 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5873 1 611 . 1 1 53 53 LYS HD2 H 1 1.75 0.02 . 4 . . . . . . . . 5873 1 612 . 1 1 53 53 LYS HE2 H 1 2.99 0.02 . 2 . . . . . . . . 5873 1 613 . 1 1 53 53 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 5873 1 614 . 1 1 53 53 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 5873 1 615 . 1 1 53 53 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 5873 1 616 . 1 1 53 53 LYS CG C 13 28.6 0.2 . 1 . . . . . . . . 5873 1 617 . 1 1 53 53 LYS CD C 13 24.6 0.2 . 1 . . . . . . . . 5873 1 618 . 1 1 53 53 LYS CE C 13 41.6 0.2 . 1 . . . . . . . . 5873 1 619 . 1 1 53 53 LYS N N 15 125.3 0.1 . 1 . . . . . . . . 5873 1 620 . 1 1 54 54 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 5873 1 621 . 1 1 54 54 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5873 1 622 . 1 1 54 54 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5873 1 623 . 1 1 54 54 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 5873 1 624 . 1 1 54 54 LYS HG3 H 1 1.70 0.02 . 2 . . . . . . . . 5873 1 625 . 1 1 54 54 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 5873 1 626 . 1 1 54 54 LYS HD3 H 1 1.61 0.02 . 2 . . . . . . . . 5873 1 627 . 1 1 54 54 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 5873 1 628 . 1 1 54 54 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 5873 1 629 . 1 1 54 54 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5873 1 630 . 1 1 54 54 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 5873 1 631 . 1 1 54 54 LYS CD C 13 30.1 0.2 . 1 . . . . . . . . 5873 1 632 . 1 1 54 54 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 5873 1 633 . 1 1 54 54 LYS N N 15 117.3 0.1 . 1 . . . . . . . . 5873 1 634 . 1 1 55 55 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 5873 1 635 . 1 1 55 55 GLY HA2 H 1 4.23 0.02 . 2 . . . . . . . . 5873 1 636 . 1 1 55 55 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 5873 1 637 . 1 1 55 55 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 5873 1 638 . 1 1 55 55 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5873 1 639 . 1 1 55 55 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 5873 1 640 . 1 1 56 56 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 5873 1 641 . 1 1 56 56 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5873 1 642 . 1 1 56 56 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 643 . 1 1 56 56 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 644 . 1 1 56 56 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5873 1 645 . 1 1 56 56 ALA C C 13 176.1 0.1 . 1 . . . . . . . . 5873 1 646 . 1 1 56 56 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5873 1 647 . 1 1 56 56 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 5873 1 648 . 1 1 56 56 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5873 1 649 . 1 1 57 57 LEU H H 1 6.80 0.02 . 1 . . . . . . . . 5873 1 650 . 1 1 57 57 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 5873 1 651 . 1 1 57 57 LEU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 5873 1 652 . 1 1 57 57 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 5873 1 653 . 1 1 57 57 LEU HG H 1 0.79 0.02 . 1 . . . . . . . . 5873 1 654 . 1 1 57 57 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 5873 1 655 . 1 1 57 57 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 5873 1 656 . 1 1 57 57 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 5873 1 657 . 1 1 57 57 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5873 1 658 . 1 1 57 57 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5873 1 659 . 1 1 57 57 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5873 1 660 . 1 1 57 57 LEU C C 13 174.8 0.1 . 1 . . . . . . . . 5873 1 661 . 1 1 57 57 LEU CA C 13 52.1 0.1 . 1 . . . . . . . . 5873 1 662 . 1 1 57 57 LEU CB C 13 46.7 0.2 . 1 . . . . . . . . 5873 1 663 . 1 1 57 57 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 5873 1 664 . 1 1 57 57 LEU CD1 C 13 26.4 0.2 . 2 . . . . . . . . 5873 1 665 . 1 1 57 57 LEU CD2 C 13 25.5 0.2 . 2 . . . . . . . . 5873 1 666 . 1 1 57 57 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 5873 1 667 . 1 1 58 58 ASN H H 1 8.92 0.02 . 1 . . . . . . . . 5873 1 668 . 1 1 58 58 ASN HA H 1 5.12 0.02 . 1 . . . . . . . . 5873 1 669 . 1 1 58 58 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5873 1 670 . 1 1 58 58 ASN C C 13 173.7 0.1 . 1 . . . . . . . . 5873 1 671 . 1 1 58 58 ASN CA C 13 51.5 0.1 . 1 . . . . . . . . 5873 1 672 . 1 1 58 58 ASN CB C 13 40.2 0.2 . 1 . . . . . . . . 5873 1 673 . 1 1 58 58 ASN N N 15 121.9 0.1 . 1 . . . . . . . . 5873 1 674 . 1 1 59 59 HIS H H 1 8.46 0.02 . 1 . . . . . . . . 5873 1 675 . 1 1 59 59 HIS HA H 1 5.80 0.02 . 1 . . . . . . . . 5873 1 676 . 1 1 59 59 HIS HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5873 1 677 . 1 1 59 59 HIS HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5873 1 678 . 1 1 59 59 HIS HD2 H 1 6.16 0.02 . 1 . . . . . . . . 5873 1 679 . 1 1 59 59 HIS HE1 H 1 7.45 0.02 . 1 . . . . . . . . 5873 1 680 . 1 1 59 59 HIS C C 13 173.3 0.1 . 1 . . . . . . . . 5873 1 681 . 1 1 59 59 HIS CA C 13 53.8 0.1 . 1 . . . . . . . . 5873 1 682 . 1 1 59 59 HIS CB C 13 33.5 0.2 . 1 . . . . . . . . 5873 1 683 . 1 1 59 59 HIS CD2 C 13 121.3 0.2 . 1 . . . . . . . . 5873 1 684 . 1 1 59 59 HIS CE1 C 13 138.1 0.2 . 1 . . . . . . . . 5873 1 685 . 1 1 59 59 HIS N N 15 120.3 0.1 . 1 . . . . . . . . 5873 1 686 . 1 1 60 60 HIS H H 1 8.34 0.02 . 1 . . . . . . . . 5873 1 687 . 1 1 60 60 HIS HA H 1 4.71 0.02 . 1 . . . . . . . . 5873 1 688 . 1 1 60 60 HIS HB2 H 1 3.09 0.02 . 2 . . . . . . . . 5873 1 689 . 1 1 60 60 HIS C C 13 172.1 0.1 . 1 . . . . . . . . 5873 1 690 . 1 1 60 60 HIS CA C 13 54.7 0.1 . 1 . . . . . . . . 5873 1 691 . 1 1 60 60 HIS CB C 13 31.4 0.2 . 1 . . . . . . . . 5873 1 692 . 1 1 60 60 HIS N N 15 119.8 0.1 . 1 . . . . . . . . 5873 1 693 . 1 1 61 61 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 5873 1 694 . 1 1 61 61 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 5873 1 695 . 1 1 61 61 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5873 1 696 . 1 1 61 61 LYS HB3 H 1 1.31 0.02 . 2 . . . . . . . . 5873 1 697 . 1 1 61 61 LYS HD2 H 1 1.35 0.02 . 2 . . . . . . . . 5873 1 698 . 1 1 61 61 LYS HG2 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 699 . 1 1 61 61 LYS HG3 H 1 0.80 0.02 . 2 . . . . . . . . 5873 1 700 . 1 1 61 61 LYS HE2 H 1 2.70 0.02 . 2 . . . . . . . . 5873 1 701 . 1 1 61 61 LYS HE3 H 1 2.60 0.02 . 2 . . . . . . . . 5873 1 702 . 1 1 61 61 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 5873 1 703 . 1 1 61 61 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5873 1 704 . 1 1 61 61 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 5873 1 705 . 1 1 61 61 LYS CD C 13 28.6 0.2 . 1 . . . . . . . . 5873 1 706 . 1 1 61 61 LYS CG C 13 24.3 0.2 . 1 . . . . . . . . 5873 1 707 . 1 1 61 61 LYS N N 15 126.0 0.1 . 1 . . . . . . . . 5873 1 708 . 1 1 62 62 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 5873 1 709 . 1 1 62 62 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5873 1 710 . 1 1 62 62 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5873 1 711 . 1 1 62 62 GLU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5873 1 712 . 1 1 62 62 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5873 1 713 . 1 1 62 62 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 5873 1 714 . 1 1 62 62 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5873 1 715 . 1 1 62 62 GLU CA C 13 54.9 0.1 . 1 . . . . . . . . 5873 1 716 . 1 1 62 62 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 5873 1 717 . 1 1 62 62 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 5873 1 718 . 1 1 62 62 GLU N N 15 130.2 0.1 . 1 . . . . . . . . 5873 1 719 . 1 1 63 63 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5873 1 720 . 1 1 63 63 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5873 1 721 . 1 1 63 63 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 5873 1 722 . 1 1 63 63 GLY CA C 13 46.5 0.1 . 1 . . . . . . . . 5873 1 723 . 1 1 63 63 GLY N N 15 118.5 0.1 . 1 . . . . . . . . 5873 1 724 . 1 1 64 64 ARG H H 1 8.79 0.02 . 1 . . . . . . . . 5873 1 725 . 1 1 64 64 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 5873 1 726 . 1 1 64 64 ARG HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5873 1 727 . 1 1 64 64 ARG HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5873 1 728 . 1 1 64 64 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 5873 1 729 . 1 1 64 64 ARG HG3 H 1 1.65 0.02 . 2 . . . . . . . . 5873 1 730 . 1 1 64 64 ARG HD2 H 1 3.19 0.02 . 2 . . . . . . . . 5873 1 731 . 1 1 64 64 ARG C C 13 175.5 0.1 . 1 . . . . . . . . 5873 1 732 . 1 1 64 64 ARG CA C 13 55.7 0.1 . 1 . . . . . . . . 5873 1 733 . 1 1 64 64 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 5873 1 734 . 1 1 64 64 ARG CG C 13 27.0 0.2 . 1 . . . . . . . . 5873 1 735 . 1 1 64 64 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 5873 1 736 . 1 1 64 64 ARG N N 15 127.4 0.1 . 1 . . . . . . . . 5873 1 737 . 1 1 65 65 VAL H H 1 7.49 0.02 . 1 . . . . . . . . 5873 1 738 . 1 1 65 65 VAL HA H 1 4.54 0.02 . 1 . . . . . . . . 5873 1 739 . 1 1 65 65 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5873 1 740 . 1 1 65 65 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 741 . 1 1 65 65 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 742 . 1 1 65 65 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 5873 1 743 . 1 1 65 65 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 5873 1 744 . 1 1 65 65 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 5873 1 745 . 1 1 65 65 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 5873 1 746 . 1 1 65 65 VAL C C 13 173.3 0.1 . 1 . . . . . . . . 5873 1 747 . 1 1 65 65 VAL CA C 13 59.5 0.1 . 1 . . . . . . . . 5873 1 748 . 1 1 65 65 VAL CB C 13 34.5 0.2 . 1 . . . . . . . . 5873 1 749 . 1 1 65 65 VAL CG1 C 13 21.1 0.2 . 2 . . . . . . . . 5873 1 750 . 1 1 65 65 VAL CG2 C 13 19.2 0.2 . 2 . . . . . . . . 5873 1 751 . 1 1 65 65 VAL N N 15 118.0 0.1 . 1 . . . . . . . . 5873 1 752 . 1 1 66 66 PHE H H 1 8.07 0.02 . 1 . . . . . . . . 5873 1 753 . 1 1 66 66 PHE HA H 1 4.76 0.02 . 1 . . . . . . . . 5873 1 754 . 1 1 66 66 PHE HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5873 1 755 . 1 1 66 66 PHE HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5873 1 756 . 1 1 66 66 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 5873 1 757 . 1 1 66 66 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 5873 1 758 . 1 1 66 66 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 5873 1 759 . 1 1 66 66 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 5873 1 760 . 1 1 66 66 PHE C C 13 174.0 0.1 . 1 . . . . . . . . 5873 1 761 . 1 1 66 66 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 5873 1 762 . 1 1 66 66 PHE CB C 13 40.0 0.2 . 1 . . . . . . . . 5873 1 763 . 1 1 66 66 PHE CD1 C 13 130.7 0.2 . 1 . . . . . . . . 5873 1 764 . 1 1 66 66 PHE CD2 C 13 130.7 0.2 . 1 . . . . . . . . 5873 1 765 . 1 1 66 66 PHE CE1 C 13 130.8 0.2 . 1 . . . . . . . . 5873 1 766 . 1 1 66 66 PHE CE2 C 13 130.8 0.2 . 1 . . . . . . . . 5873 1 767 . 1 1 66 66 PHE CZ C 13 129.2 0.2 . 1 . . . . . . . . 5873 1 768 . 1 1 66 66 PHE N N 15 123.4 0.1 . 1 . . . . . . . . 5873 1 769 . 1 1 67 67 VAL H H 1 8.46 0.02 . 1 . . . . . . . . 5873 1 770 . 1 1 67 67 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5873 1 771 . 1 1 67 67 VAL HB H 1 1.11 0.02 . 2 . . . . . . . . 5873 1 772 . 1 1 67 67 VAL HG11 H 1 0.72 0.02 . 2 . . . . . . . . 5873 1 773 . 1 1 67 67 VAL HG12 H 1 0.72 0.02 . 2 . . . . . . . . 5873 1 774 . 1 1 67 67 VAL HG13 H 1 0.72 0.02 . 2 . . . . . . . . 5873 1 775 . 1 1 67 67 VAL HG21 H 1 0.67 0.02 . 2 . . . . . . . . 5873 1 776 . 1 1 67 67 VAL HG22 H 1 0.67 0.02 . 2 . . . . . . . . 5873 1 777 . 1 1 67 67 VAL HG23 H 1 0.67 0.02 . 2 . . . . . . . . 5873 1 778 . 1 1 67 67 VAL C C 13 174.2 0.1 . 1 . . . . . . . . 5873 1 779 . 1 1 67 67 VAL CA C 13 60.4 0.1 . 1 . . . . . . . . 5873 1 780 . 1 1 67 67 VAL CB C 13 33.2 0.2 . 1 . . . . . . . . 5873 1 781 . 1 1 67 67 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5873 1 782 . 1 1 67 67 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 5873 1 783 . 1 1 67 67 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 5873 1 784 . 1 1 68 68 TYR H H 1 8.74 0.02 . 1 . . . . . . . . 5873 1 785 . 1 1 68 68 TYR HA H 1 5.44 0.02 . 1 . . . . . . . . 5873 1 786 . 1 1 68 68 TYR HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5873 1 787 . 1 1 68 68 TYR HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5873 1 788 . 1 1 68 68 TYR HD1 H 1 6.99 0.02 . 3 . . . . . . . . 5873 1 789 . 1 1 68 68 TYR HE1 H 1 6.57 0.02 . 3 . . . . . . . . 5873 1 790 . 1 1 68 68 TYR C C 13 175.0 0.1 . 1 . . . . . . . . 5873 1 791 . 1 1 68 68 TYR CA C 13 56.4 0.1 . 1 . . . . . . . . 5873 1 792 . 1 1 68 68 TYR CB C 13 41.0 0.2 . 1 . . . . . . . . 5873 1 793 . 1 1 68 68 TYR CD1 C 13 132.5 0.2 . 1 . . . . . . . . 5873 1 794 . 1 1 68 68 TYR CD2 C 13 132.5 0.2 . 1 . . . . . . . . 5873 1 795 . 1 1 68 68 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 5873 1 796 . 1 1 68 68 TYR CE2 C 13 117.5 0.2 . 1 . . . . . . . . 5873 1 797 . 1 1 68 68 TYR N N 15 126.3 0.1 . 1 . . . . . . . . 5873 1 798 . 1 1 69 69 THR H H 1 8.35 0.02 . 1 . . . . . . . . 5873 1 799 . 1 1 69 69 THR HA H 1 5.04 0.02 . 1 . . . . . . . . 5873 1 800 . 1 1 69 69 THR HB H 1 4.39 0.02 . 1 . . . . . . . . 5873 1 801 . 1 1 69 69 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 802 . 1 1 69 69 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 803 . 1 1 69 69 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5873 1 804 . 1 1 69 69 THR C C 13 171.7 0.1 . 1 . . . . . . . . 5873 1 805 . 1 1 69 69 THR CA C 13 57.3 0.1 . 1 . . . . . . . . 5873 1 806 . 1 1 69 69 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 5873 1 807 . 1 1 69 69 THR CG2 C 13 21.0 0.2 . 1 . . . . . . . . 5873 1 808 . 1 1 69 69 THR N N 15 112.8 0.1 . 1 . . . . . . . . 5873 1 809 . 1 1 70 70 PRO HA H 1 4.65 0.02 . 1 . . . . . . . . 5873 1 810 . 1 1 70 70 PRO HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5873 1 811 . 1 1 70 70 PRO HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5873 1 812 . 1 1 70 70 PRO HG2 H 1 2.71 0.02 . 2 . . . . . . . . 5873 1 813 . 1 1 70 70 PRO HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5873 1 814 . 1 1 70 70 PRO HD2 H 1 4.05 0.02 . 2 . . . . . . . . 5873 1 815 . 1 1 70 70 PRO HD3 H 1 3.93 0.02 . 2 . . . . . . . . 5873 1 816 . 1 1 70 70 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 5873 1 817 . 1 1 70 70 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5873 1 818 . 1 1 70 70 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 5873 1 819 . 1 1 70 70 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 5873 1 820 . 1 1 71 71 ASN H H 1 8.57 0.02 . 1 . . . . . . . . 5873 1 821 . 1 1 71 71 ASN HA H 1 5.13 0.02 . 1 . . . . . . . . 5873 1 822 . 1 1 71 71 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5873 1 823 . 1 1 71 71 ASN HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5873 1 824 . 1 1 71 71 ASN C C 13 173.2 0.1 . 1 . . . . . . . . 5873 1 825 . 1 1 71 71 ASN CA C 13 51.7 0.1 . 1 . . . . . . . . 5873 1 826 . 1 1 71 71 ASN CB C 13 39.9 0.2 . 1 . . . . . . . . 5873 1 827 . 1 1 71 71 ASN N N 15 122.3 0.1 . 1 . . . . . . . . 5873 1 828 . 1 1 72 72 ILE H H 1 7.17 0.02 . 1 . . . . . . . . 5873 1 829 . 1 1 72 72 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5873 1 830 . 1 1 72 72 ILE HB H 1 2.40 0.02 . 1 . . . . . . . . 5873 1 831 . 1 1 72 72 ILE HG12 H 1 1.68 0.02 . 2 . . . . . . . . 5873 1 832 . 1 1 72 72 ILE HG13 H 1 1.58 0.02 . 2 . . . . . . . . 5873 1 833 . 1 1 72 72 ILE HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5873 1 834 . 1 1 72 72 ILE HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5873 1 835 . 1 1 72 72 ILE HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5873 1 836 . 1 1 72 72 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5873 1 837 . 1 1 72 72 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5873 1 838 . 1 1 72 72 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5873 1 839 . 1 1 72 72 ILE C C 13 174.5 0.1 . 1 . . . . . . . . 5873 1 840 . 1 1 72 72 ILE CA C 13 58.7 0.1 . 1 . . . . . . . . 5873 1 841 . 1 1 72 72 ILE CB C 13 41.3 0.2 . 1 . . . . . . . . 5873 1 842 . 1 1 72 72 ILE CG1 C 13 24.8 0.2 . 1 . . . . . . . . 5873 1 843 . 1 1 72 72 ILE CG2 C 13 18.8 0.2 . 1 . . . . . . . . 5873 1 844 . 1 1 72 72 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 5873 1 845 . 1 1 72 72 ILE N N 15 113.6 0.1 . 1 . . . . . . . . 5873 1 846 . 1 1 73 73 ASP H H 1 9.53 0.02 . 1 . . . . . . . . 5873 1 847 . 1 1 73 73 ASP HA H 1 4.79 0.02 . 1 . . . . . . . . 5873 1 848 . 1 1 73 73 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5873 1 849 . 1 1 73 73 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5873 1 850 . 1 1 73 73 ASP C C 13 175.4 0.1 . 1 . . . . . . . . 5873 1 851 . 1 1 73 73 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . 5873 1 852 . 1 1 73 73 ASP CB C 13 42.5 0.2 . 1 . . . . . . . . 5873 1 853 . 1 1 73 73 ASP N N 15 128.8 0.1 . 1 . . . . . . . . 5873 1 854 . 1 1 74 74 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 5873 1 855 . 1 1 74 74 GLU HA H 1 1.97 0.02 . 1 . . . . . . . . 5873 1 856 . 1 1 74 74 GLU HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5873 1 857 . 1 1 74 74 GLU HG3 H 1 1.34 0.02 . 2 . . . . . . . . 5873 1 858 . 1 1 74 74 GLU HB2 H 1 1.07 0.02 . 2 . . . . . . . . 5873 1 859 . 1 1 74 74 GLU HB3 H 1 0.52 0.02 . 2 . . . . . . . . 5873 1 860 . 1 1 74 74 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 5873 1 861 . 1 1 74 74 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5873 1 862 . 1 1 74 74 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5873 1 863 . 1 1 74 74 GLU CG C 13 35.2 0.2 . 1 . . . . . . . . 5873 1 864 . 1 1 74 74 GLU N N 15 129.1 0.1 . 1 . . . . . . . . 5873 1 865 . 1 1 75 75 SER H H 1 8.12 0.02 . 1 . . . . . . . . 5873 1 866 . 1 1 75 75 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 5873 1 867 . 1 1 75 75 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 5873 1 868 . 1 1 75 75 SER HB3 H 1 3.76 0.02 . 2 . . . . . . . . 5873 1 869 . 1 1 75 75 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5873 1 870 . 1 1 75 75 SER CA C 13 60.0 0.1 . 1 . . . . . . . . 5873 1 871 . 1 1 75 75 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 5873 1 872 . 1 1 75 75 SER N N 15 114.2 0.1 . 1 . . . . . . . . 5873 1 873 . 1 1 76 76 ASP H H 1 7.51 0.02 . 1 . . . . . . . . 5873 1 874 . 1 1 76 76 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5873 1 875 . 1 1 76 76 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5873 1 876 . 1 1 76 76 ASP HB3 H 1 2.39 0.02 . 2 . . . . . . . . 5873 1 877 . 1 1 76 76 ASP C C 13 175.2 0.1 . 1 . . . . . . . . 5873 1 878 . 1 1 76 76 ASP CA C 13 55.4 0.1 . 1 . . . . . . . . 5873 1 879 . 1 1 76 76 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5873 1 880 . 1 1 76 76 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5873 1 881 . 1 1 77 77 TYR H H 1 7.61 0.02 . 1 . . . . . . . . 5873 1 882 . 1 1 77 77 TYR HA H 1 4.40 0.02 . 1 . . . . . . . . 5873 1 883 . 1 1 77 77 TYR HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5873 1 884 . 1 1 77 77 TYR HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5873 1 885 . 1 1 77 77 TYR HD1 H 1 7.33 0.02 . 3 . . . . . . . . 5873 1 886 . 1 1 77 77 TYR HE1 H 1 6.99 0.02 . 3 . . . . . . . . 5873 1 887 . 1 1 77 77 TYR C C 13 174.6 0.1 . 1 . . . . . . . . 5873 1 888 . 1 1 77 77 TYR CA C 13 59.3 0.1 . 1 . . . . . . . . 5873 1 889 . 1 1 77 77 TYR CB C 13 41.0 0.2 . 1 . . . . . . . . 5873 1 890 . 1 1 77 77 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 5873 1 891 . 1 1 77 77 TYR CD2 C 13 132.9 0.2 . 1 . . . . . . . . 5873 1 892 . 1 1 77 77 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 5873 1 893 . 1 1 77 77 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 5873 1 894 . 1 1 77 77 TYR N N 15 119.6 0.1 . 1 . . . . . . . . 5873 1 895 . 1 1 78 78 ILE H H 1 7.67 0.02 . 1 . . . . . . . . 5873 1 896 . 1 1 78 78 ILE HA H 1 4.26 0.02 . 1 . . . . . . . . 5873 1 897 . 1 1 78 78 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 5873 1 898 . 1 1 78 78 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5873 1 899 . 1 1 78 78 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 5873 1 900 . 1 1 78 78 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 901 . 1 1 78 78 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 902 . 1 1 78 78 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 903 . 1 1 78 78 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 904 . 1 1 78 78 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 905 . 1 1 78 78 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5873 1 906 . 1 1 78 78 ILE C C 13 174.7 0.1 . 1 . . . . . . . . 5873 1 907 . 1 1 78 78 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 5873 1 908 . 1 1 78 78 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 5873 1 909 . 1 1 78 78 ILE CG1 C 13 26.4 0.2 . 1 . . . . . . . . 5873 1 910 . 1 1 78 78 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 5873 1 911 . 1 1 78 78 ILE CD1 C 13 12.6 0.2 . 1 . . . . . . . . 5873 1 912 . 1 1 78 78 ILE N N 15 122.2 0.1 . 1 . . . . . . . . 5873 1 913 . 1 1 79 79 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 5873 1 914 . 1 1 79 79 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 5873 1 915 . 1 1 79 79 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5873 1 916 . 1 1 79 79 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5873 1 917 . 1 1 79 79 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5873 1 918 . 1 1 79 79 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 5873 1 919 . 1 1 79 79 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5873 1 920 . 1 1 79 79 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5873 1 921 . 1 1 79 79 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 5873 1 922 . 1 1 79 79 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5873 1 923 . 1 1 79 79 GLU N N 15 127.6 0.1 . 1 . . . . . . . . 5873 1 924 . 1 1 80 80 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 5873 1 925 . 1 1 80 80 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 5873 1 926 . 1 1 80 80 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 5873 1 927 . 1 1 80 80 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 928 . 1 1 80 80 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 929 . 1 1 80 80 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 5873 1 930 . 1 1 80 80 VAL C C 13 174.7 0.1 . 1 . . . . . . . . 5873 1 931 . 1 1 80 80 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 5873 1 932 . 1 1 80 80 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 5873 1 933 . 1 1 80 80 VAL CG1 C 13 20.7 0.2 . 1 . . . . . . . . 5873 1 934 . 1 1 80 80 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5873 1 935 . 1 1 80 80 VAL N N 15 126.3 0.1 . 1 . . . . . . . . 5873 1 936 . 1 1 81 81 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 5873 1 937 . 1 1 81 81 LYS C C 13 174.0 0.1 . 1 . . . . . . . . 5873 1 938 . 1 1 81 81 LYS CA C 13 57.1 0.1 . 1 . . . . . . . . 5873 1 939 . 1 1 81 81 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 5873 1 940 . 1 1 81 81 LYS N N 15 133.6 0.1 . 1 . . . . . . . . 5873 1 stop_ save_