data_19666 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19666 _Entry.Title ; Structure of insect-specific sodium channel toxin mu-Dc1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-08 _Entry.Accession_date 2013-12-08 _Entry.Last_release_date 2014-07-14 _Entry.Original_release_date 2014-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Niraj Bende . S. . 19666 2 Mehdi Mobli . . . 19666 3 Glenn King . F. . 19666 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19666 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Diguetia canities' . 19666 DTX9.2 . 19666 'gating modifier' . 19666 'insecticidal toxin' . 19666 'non-uniform sampling' . 19666 peptide . 19666 'sodium channel' . 19666 'spider venom' . 19666 voltage-sensor . 19666 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19666 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 19666 '15N chemical shifts' 60 19666 '1H chemical shifts' 374 19666 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 . . 2014-07-14 2013-12-08 original author . 19666 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MI5 'BMRB Entry Tracking System' 19666 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19666 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25014760 _Citation.Full_citation . _Citation.Title 'A distinct voltage-sensor locus determines insect-family selectivity of a unique sodium channel modulator found in desert bush spider venom' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 4350 _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 1 _Citation.Page_last 10 _Citation.Year 2014 _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 Niraj Bende . S. . 19666 1 2 Slawomir Dziemborowicz . . . 19666 1 3 Mehdi Mobli . . . 19666 1 4 Volker Herzig . . . 19666 1 5 John Gilchrist . . . 19666 1 6 Graham Nicholson . M. . 19666 1 7 Glenn King . F. . 19666 1 8 Frank Bosmans . . . 19666 1 stop_ save_ save_Reference_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Reference_citation_1 _Citation.Entry_ID 19666 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/0965 _Citation.PubMed_ID 8541888 _Citation.Full_citation . _Citation.Title 'Characterization and cloning of insecticidal peptides from the primitive weaving spider Diguetia canities' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Insect Biochem Mol Biol' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 9 _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 991 _Citation.Page_last 1000 _Citation.Year 1995 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Karen Krapcho . J. . 19666 2 2 Robert Kral . M. Jr. 19666 2 3 Bradford Vanwagenen . . . 19666 2 4 Kathryn Eppler . G. . 19666 2 5 Terry Morgan . K. . 19666 2 stop_ save_ save_Reference_cittaion_2 _Citation.Sf_category citations _Citation.Sf_framecode Reference_cittaion_2 _Citation.Entry_ID 19666 _Citation.ID 3 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/0041 _Citation.PubMed_ID 8896202 _Citation.Full_citation . _Citation.Title 'Mode of action of an insecticidal peptide toxin from the venom of a weaving spider (Diguetia canities)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Toxicon _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue 9 _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 1072 _Citation.Page_last 1075 _Citation.Year 1996 _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 Jeffrey Bloomquist . R. . 19666 3 2 Lyle Kinne . P. . 19666 3 3 Valarie Deutsch . . . 19666 3 4 Sandra Simpson . F. . 19666 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19666 _Assembly.ID 1 _Assembly.Name DC1A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass 6492.4 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 Dc1a 1 $Dc1a A . yes native no no . . . 19666 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . 19666 1 2 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . 19666 1 3 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 19666 1 4 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 19666 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dc1a _Entity.Sf_category entity _Entity.Sf_framecode Dc1a _Entity.Entry_ID 19666 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dc1a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SAKDGDVEGPAGCKKYDVEC DSGECCQKQYLWYKWRPLDC RCLKSGFFSSKCVCRDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6502.466 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP P49126 . DTX9.2 . . . . . . . . . . . . . . 19666 1 2 no PDB 2MI5 . "Structure Of Insect-specific Sodium Channel Toxin Mu-dc1a" . . . . . 100.00 57 100.00 100.00 1.37e-31 . . . . 19666 1 3 no GB AAB60253 . "toxin DTX9.2 precursor [Diguetia canities]" . . . . . 98.25 94 100.00 100.00 7.54e-32 . . . . 19666 1 4 no SP P49126 . "RecName: Full=Beta-diguetoxin-Dc1a; Short=Beta-DGTX-Dc1a; AltName: Full=Insecticidal toxin DTX9.2; AltName: Full=Mu-diguetoxin-" . . . . . 98.25 94 100.00 100.00 7.54e-32 . . . . 19666 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 1 SER . 19666 1 2 2 ALA . 19666 1 3 3 LYS . 19666 1 4 4 ASP . 19666 1 5 5 GLY . 19666 1 6 6 ASP . 19666 1 7 7 VAL . 19666 1 8 8 GLU . 19666 1 9 9 GLY . 19666 1 10 10 PRO . 19666 1 11 11 ALA . 19666 1 12 12 GLY . 19666 1 13 13 CYS . 19666 1 14 14 LYS . 19666 1 15 15 LYS . 19666 1 16 16 TYR . 19666 1 17 17 ASP . 19666 1 18 18 VAL . 19666 1 19 19 GLU . 19666 1 20 20 CYS . 19666 1 21 21 ASP . 19666 1 22 22 SER . 19666 1 23 23 GLY . 19666 1 24 24 GLU . 19666 1 25 25 CYS . 19666 1 26 26 CYS . 19666 1 27 27 GLN . 19666 1 28 28 LYS . 19666 1 29 29 GLN . 19666 1 30 30 TYR . 19666 1 31 31 LEU . 19666 1 32 32 TRP . 19666 1 33 33 TYR . 19666 1 34 34 LYS . 19666 1 35 35 TRP . 19666 1 36 36 ARG . 19666 1 37 37 PRO . 19666 1 38 38 LEU . 19666 1 39 39 ASP . 19666 1 40 40 CYS . 19666 1 41 41 ARG . 19666 1 42 42 CYS . 19666 1 43 43 LEU . 19666 1 44 44 LYS . 19666 1 45 45 SER . 19666 1 46 46 GLY . 19666 1 47 47 PHE . 19666 1 48 48 PHE . 19666 1 49 49 SER . 19666 1 50 50 SER . 19666 1 51 51 LYS . 19666 1 52 52 CYS . 19666 1 53 53 VAL . 19666 1 54 54 CYS . 19666 1 55 55 ARG . 19666 1 56 56 ASP . 19666 1 57 57 VAL . 19666 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 . SER 1 1 19666 1 . ALA 2 2 19666 1 . LYS 3 3 19666 1 . ASP 4 4 19666 1 . GLY 5 5 19666 1 . ASP 6 6 19666 1 . VAL 7 7 19666 1 . GLU 8 8 19666 1 . GLY 9 9 19666 1 . PRO 10 10 19666 1 . ALA 11 11 19666 1 . GLY 12 12 19666 1 . CYS 13 13 19666 1 . LYS 14 14 19666 1 . LYS 15 15 19666 1 . TYR 16 16 19666 1 . ASP 17 17 19666 1 . VAL 18 18 19666 1 . GLU 19 19 19666 1 . CYS 20 20 19666 1 . ASP 21 21 19666 1 . SER 22 22 19666 1 . GLY 23 23 19666 1 . GLU 24 24 19666 1 . CYS 25 25 19666 1 . CYS 26 26 19666 1 . GLN 27 27 19666 1 . LYS 28 28 19666 1 . GLN 29 29 19666 1 . TYR 30 30 19666 1 . LEU 31 31 19666 1 . TRP 32 32 19666 1 . TYR 33 33 19666 1 . LYS 34 34 19666 1 . TRP 35 35 19666 1 . ARG 36 36 19666 1 . PRO 37 37 19666 1 . LEU 38 38 19666 1 . ASP 39 39 19666 1 . CYS 40 40 19666 1 . ARG 41 41 19666 1 . CYS 42 42 19666 1 . LEU 43 43 19666 1 . LYS 44 44 19666 1 . SER 45 45 19666 1 . GLY 46 46 19666 1 . PHE 47 47 19666 1 . PHE 48 48 19666 1 . SER 49 49 19666 1 . SER 50 50 19666 1 . LYS 51 51 19666 1 . CYS 52 52 19666 1 . VAL 53 53 19666 1 . CYS 54 54 19666 1 . ARG 55 55 19666 1 . ASP 56 56 19666 1 . VAL 57 57 19666 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 19666 _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 $Dc1a . 38407 organism . 'Diguetia canities' 'desert bush spider' . . Eukaryota Metazoa Diguetia canities . . . . . . . . . . . . . . . . . . 'Peptide from the venom of the desert bush spider' . . 19666 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 19666 _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 $Dc1a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pLIC . . . . . . 19666 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19666 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 Dc1a '[U-99% 13C; U-99% 15N]' . . 1 $Dc1a . . 350 . . uM . . . . 19666 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 19666 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19666 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19666 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19666 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19666 1 pH 5.0 . pH 19666 1 pressure 1 . atm 19666 1 temperature 298 . K 19666 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA_3 _Software.Sf_category software _Software.Sf_framecode CYANA_3 _Software.Entry_ID 19666 _Software.ID 1 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19666 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19666 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19666 _Software.ID 2 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19666 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19666 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19666 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19666 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19666 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19666 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19666 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19666 4 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 19666 _Software.ID 5 _Software.Name Rowland_NMR_Toolkit _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jeffrey C. Hoch, Alan S. Stern' . . 19666 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19666 5 stop_ save_ save_GENPROC _Software.Sf_category software _Software.Sf_framecode GENPROC _Software.Entry_ID 19666 _Software.ID 6 _Software.Name GENPROC _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mehdi Mobli' . . 19666 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19666 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19666 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryo-probe equipped' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19666 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'Cryo-probe equipped' . . 19666 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 19666 _Experiment_list.ID 1 _Experiment_list.Details 'All 3D and 4D except NOESY type data were acquired using non-uniform sampling and processed using maximum entropy.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 10 '4D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19666 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19666 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.251449530 . . . . . . . . . 19666 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 19666 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . . . . . 19666 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19666 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19666 1 2 '2D 1H-13C HSQC' . . . 19666 1 3 '3D HNCO' . . . 19666 1 5 '3D HBHA(CO)NH' . . . 19666 1 6 '3D CBCA(CO)NH' . . . 19666 1 7 '3D 1H-13C NOESY aliphatic' . . . 19666 1 8 '3D 1H-13C NOESY aromatic' . . . 19666 1 9 '3D 1H-15N NOESY' . . . 19666 1 10 '4D HCC(CO)NH' . . . 19666 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.127 0.03 . 1 . . . A 1 SER HA . 19666 1 2 . 1 1 1 1 SER HB2 H 1 3.967 0.03 . 2 . . . A 1 SER HB2 . 19666 1 3 . 1 1 1 1 SER HB3 H 1 3.926 0.03 . 2 . . . A 1 SER HB3 . 19666 1 4 . 1 1 1 1 SER C C 13 170.428 0.30 . 1 . . . A 1 SER C . 19666 1 5 . 1 1 1 1 SER CA C 13 57.404 0.30 . 1 . . . A 1 SER CA . 19666 1 6 . 1 1 1 1 SER CB C 13 63.183 0.30 . 1 . . . A 1 SER CB . 19666 1 7 . 1 1 2 2 ALA H H 1 8.421 0.03 . 1 . . . A 2 ALA H . 19666 1 8 . 1 1 2 2 ALA HA H 1 4.227 0.03 . 1 . . . A 2 ALA HA . 19666 1 9 . 1 1 2 2 ALA HB1 H 1 0.757 0.03 . 1 . . . A 2 ALA HB1 . 19666 1 10 . 1 1 2 2 ALA HB2 H 1 0.757 0.03 . 1 . . . A 2 ALA HB2 . 19666 1 11 . 1 1 2 2 ALA HB3 H 1 0.757 0.03 . 1 . . . A 2 ALA HB3 . 19666 1 12 . 1 1 2 2 ALA C C 13 176.106 0.30 . 1 . . . A 2 ALA C . 19666 1 13 . 1 1 2 2 ALA CA C 13 52.504 0.30 . 1 . . . A 2 ALA CA . 19666 1 14 . 1 1 2 2 ALA CB C 13 19.016 0.30 . 1 . . . A 2 ALA CB . 19666 1 15 . 1 1 2 2 ALA N N 15 124.746 0.30 . 1 . . . A 2 ALA N . 19666 1 16 . 1 1 3 3 LYS H H 1 8.275 0.03 . 1 . . . A 3 LYS H . 19666 1 17 . 1 1 3 3 LYS HA H 1 4.336 0.03 . 1 . . . A 3 LYS HA . 19666 1 18 . 1 1 3 3 LYS HB2 H 1 1.701 0.03 . 1 . . . A 3 LYS HB2 . 19666 1 19 . 1 1 3 3 LYS HB3 H 1 1.701 0.03 . 1 . . . A 3 LYS HB3 . 19666 1 20 . 1 1 3 3 LYS HG2 H 1 1.394 0.03 . 2 . . . A 3 LYS HG2 . 19666 1 21 . 1 1 3 3 LYS HG3 H 1 1.327 0.03 . 2 . . . A 3 LYS HG3 . 19666 1 22 . 1 1 3 3 LYS HD2 H 1 1.639 0.03 . 1 . . . A 3 LYS HD2 . 19666 1 23 . 1 1 3 3 LYS HD3 H 1 1.639 0.03 . 1 . . . A 3 LYS HD3 . 19666 1 24 . 1 1 3 3 LYS HE2 H 1 2.995 0.03 . 1 . . . A 3 LYS HE2 . 19666 1 25 . 1 1 3 3 LYS HE3 H 1 2.995 0.03 . 1 . . . A 3 LYS HE3 . 19666 1 26 . 1 1 3 3 LYS C C 13 175.343 0.30 . 1 . . . A 3 LYS C . 19666 1 27 . 1 1 3 3 LYS CA C 13 54.848 0.30 . 1 . . . A 3 LYS CA . 19666 1 28 . 1 1 3 3 LYS CB C 13 34.392 0.30 . 1 . . . A 3 LYS CB . 19666 1 29 . 1 1 3 3 LYS CG C 13 24.055 0.30 . 1 . . . A 3 LYS CG . 19666 1 30 . 1 1 3 3 LYS CD C 13 29.210 0.30 . 1 . . . A 3 LYS CD . 19666 1 31 . 1 1 3 3 LYS CE C 13 42.113 0.30 . 1 . . . A 3 LYS CE . 19666 1 32 . 1 1 3 3 LYS N N 15 120.527 0.30 . 1 . . . A 3 LYS N . 19666 1 33 . 1 1 4 4 ASP H H 1 8.288 0.03 . 1 . . . A 4 ASP H . 19666 1 34 . 1 1 4 4 ASP HA H 1 4.377 0.03 . 1 . . . A 4 ASP HA . 19666 1 35 . 1 1 4 4 ASP HB2 H 1 2.548 0.03 . 1 . . . A 4 ASP HB2 . 19666 1 36 . 1 1 4 4 ASP HB3 H 1 2.548 0.03 . 1 . . . A 4 ASP HB3 . 19666 1 37 . 1 1 4 4 ASP C C 13 177.084 0.30 . 1 . . . A 4 ASP C . 19666 1 38 . 1 1 4 4 ASP CA C 13 55.908 0.30 . 1 . . . A 4 ASP CA . 19666 1 39 . 1 1 4 4 ASP CB C 13 41.206 0.30 . 1 . . . A 4 ASP CB . 19666 1 40 . 1 1 4 4 ASP N N 15 120.351 0.30 . 1 . . . A 4 ASP N . 19666 1 41 . 1 1 5 5 GLY H H 1 8.823 0.03 . 1 . . . A 5 GLY H . 19666 1 42 . 1 1 5 5 GLY HA2 H 1 4.249 0.03 . 2 . . . A 5 GLY HA2 . 19666 1 43 . 1 1 5 5 GLY HA3 H 1 3.644 0.03 . 2 . . . A 5 GLY HA3 . 19666 1 44 . 1 1 5 5 GLY C C 13 174.205 0.30 . 1 . . . A 5 GLY C . 19666 1 45 . 1 1 5 5 GLY CA C 13 45.496 0.30 . 1 . . . A 5 GLY CA . 19666 1 46 . 1 1 5 5 GLY N N 15 113.320 0.30 . 1 . . . A 5 GLY N . 19666 1 47 . 1 1 6 6 ASP H H 1 8.291 0.03 . 1 . . . A 6 ASP H . 19666 1 48 . 1 1 6 6 ASP HA H 1 4.641 0.03 . 1 . . . A 6 ASP HA . 19666 1 49 . 1 1 6 6 ASP HB2 H 1 2.810 0.03 . 2 . . . A 6 ASP HB2 . 19666 1 50 . 1 1 6 6 ASP HB3 H 1 2.657 0.03 . 2 . . . A 6 ASP HB3 . 19666 1 51 . 1 1 6 6 ASP C C 13 175.139 0.30 . 1 . . . A 6 ASP C . 19666 1 52 . 1 1 6 6 ASP CA C 13 55.022 0.30 . 1 . . . A 6 ASP CA . 19666 1 53 . 1 1 6 6 ASP CB C 13 41.095 0.30 . 1 . . . A 6 ASP CB . 19666 1 54 . 1 1 6 6 ASP N N 15 121.054 0.30 . 1 . . . A 6 ASP N . 19666 1 55 . 1 1 7 7 VAL H H 1 8.242 0.03 . 1 . . . A 7 VAL H . 19666 1 56 . 1 1 7 7 VAL HA H 1 5.505 0.03 . 1 . . . A 7 VAL HA . 19666 1 57 . 1 1 7 7 VAL HB H 1 2.113 0.03 . 1 . . . A 7 VAL HB . 19666 1 58 . 1 1 7 7 VAL HG11 H 1 0.943 0.03 . 1 . . . A 7 VAL HG11 . 19666 1 59 . 1 1 7 7 VAL HG12 H 1 0.943 0.03 . 1 . . . A 7 VAL HG12 . 19666 1 60 . 1 1 7 7 VAL HG13 H 1 0.943 0.03 . 1 . . . A 7 VAL HG13 . 19666 1 61 . 1 1 7 7 VAL HG21 H 1 0.886 0.03 . 1 . . . A 7 VAL HG21 . 19666 1 62 . 1 1 7 7 VAL HG22 H 1 0.886 0.03 . 1 . . . A 7 VAL HG22 . 19666 1 63 . 1 1 7 7 VAL HG23 H 1 0.886 0.03 . 1 . . . A 7 VAL HG23 . 19666 1 64 . 1 1 7 7 VAL C C 13 175.917 0.30 . 1 . . . A 7 VAL C . 19666 1 65 . 1 1 7 7 VAL CA C 13 59.486 0.30 . 1 . . . A 7 VAL CA . 19666 1 66 . 1 1 7 7 VAL CB C 13 37.503 0.30 . 1 . . . A 7 VAL CB . 19666 1 67 . 1 1 7 7 VAL CG1 C 13 22.387 0.30 . 1 . . . A 7 VAL CG1 . 19666 1 68 . 1 1 7 7 VAL CG2 C 13 17.855 0.30 . 1 . . . A 7 VAL CG2 . 19666 1 69 . 1 1 7 7 VAL N N 15 110.156 0.30 . 1 . . . A 7 VAL N . 19666 1 70 . 1 1 8 8 GLU H H 1 8.428 0.03 . 1 . . . A 8 GLU H . 19666 1 71 . 1 1 8 8 GLU HA H 1 4.708 0.03 . 1 . . . A 8 GLU HA . 19666 1 72 . 1 1 8 8 GLU HB2 H 1 1.820 0.03 . 2 . . . A 8 GLU HB2 . 19666 1 73 . 1 1 8 8 GLU HB3 H 1 1.537 0.03 . 2 . . . A 8 GLU HB3 . 19666 1 74 . 1 1 8 8 GLU HG2 H 1 1.932 0.03 . 1 . . . A 8 GLU HG2 . 19666 1 75 . 1 1 8 8 GLU HG3 H 1 1.932 0.03 . 1 . . . A 8 GLU HG3 . 19666 1 76 . 1 1 8 8 GLU C C 13 175.138 0.30 . 1 . . . A 8 GLU C . 19666 1 77 . 1 1 8 8 GLU CA C 13 55.018 0.30 . 1 . . . A 8 GLU CA . 19666 1 78 . 1 1 8 8 GLU CB C 13 32.660 0.30 . 1 . . . A 8 GLU CB . 19666 1 79 . 1 1 8 8 GLU CG C 13 35.205 0.30 . 1 . . . A 8 GLU CG . 19666 1 80 . 1 1 8 8 GLU N N 15 119.824 0.30 . 1 . . . A 8 GLU N . 19666 1 81 . 1 1 9 9 GLY H H 1 8.498 0.03 . 1 . . . A 9 GLY H . 19666 1 82 . 1 1 9 9 GLY HA2 H 1 4.051 0.03 . 1 . . . A 9 GLY HA2 . 19666 1 83 . 1 1 9 9 GLY HA3 H 1 4.051 0.03 . 1 . . . A 9 GLY HA3 . 19666 1 84 . 1 1 9 9 GLY CA C 13 44.687 0.30 . 1 . . . A 9 GLY CA . 19666 1 85 . 1 1 9 9 GLY N N 15 112.265 0.30 . 1 . . . A 9 GLY N . 19666 1 86 . 1 1 10 10 PRO HA H 1 4.453 0.03 . 1 . . . A 10 PRO HA . 19666 1 87 . 1 1 10 10 PRO HB2 H 1 2.289 0.03 . 2 . . . A 10 PRO HB2 . 19666 1 88 . 1 1 10 10 PRO HB3 H 1 1.894 0.03 . 2 . . . A 10 PRO HB3 . 19666 1 89 . 1 1 10 10 PRO HG2 H 1 2.020 0.03 . 2 . . . A 10 PRO HG2 . 19666 1 90 . 1 1 10 10 PRO HG3 H 1 1.931 0.03 . 2 . . . A 10 PRO HG3 . 19666 1 91 . 1 1 10 10 PRO HD2 H 1 3.654 0.03 . 1 . . . A 10 PRO HD2 . 19666 1 92 . 1 1 10 10 PRO HD3 H 1 3.654 0.03 . 1 . . . A 10 PRO HD3 . 19666 1 93 . 1 1 10 10 PRO C C 13 175.902 0.30 . 1 . . . A 10 PRO C . 19666 1 94 . 1 1 10 10 PRO CA C 13 62.256 0.30 . 1 . . . A 10 PRO CA . 19666 1 95 . 1 1 10 10 PRO CB C 13 32.312 0.30 . 1 . . . A 10 PRO CB . 19666 1 96 . 1 1 10 10 PRO CG C 13 27.345 0.30 . 1 . . . A 10 PRO CG . 19666 1 97 . 1 1 10 10 PRO CD C 13 49.584 0.30 . 1 . . . A 10 PRO CD . 19666 1 98 . 1 1 11 11 ALA H H 1 8.424 0.03 . 1 . . . A 11 ALA H . 19666 1 99 . 1 1 11 11 ALA HA H 1 4.161 0.03 . 1 . . . A 11 ALA HA . 19666 1 100 . 1 1 11 11 ALA HB1 H 1 1.366 0.03 . 1 . . . A 11 ALA HB1 . 19666 1 101 . 1 1 11 11 ALA HB2 H 1 1.366 0.03 . 1 . . . A 11 ALA HB2 . 19666 1 102 . 1 1 11 11 ALA HB3 H 1 1.366 0.03 . 1 . . . A 11 ALA HB3 . 19666 1 103 . 1 1 11 11 ALA C C 13 179.442 0.30 . 1 . . . A 11 ALA C . 19666 1 104 . 1 1 11 11 ALA CA C 13 53.666 0.30 . 1 . . . A 11 ALA CA . 19666 1 105 . 1 1 11 11 ALA CB C 13 17.902 0.30 . 1 . . . A 11 ALA CB . 19666 1 106 . 1 1 11 11 ALA N N 15 123.340 0.30 . 1 . . . A 11 ALA N . 19666 1 107 . 1 1 12 12 GLY H H 1 8.795 0.03 . 1 . . . A 12 GLY H . 19666 1 108 . 1 1 12 12 GLY HA2 H 1 4.168 0.03 . 2 . . . A 12 GLY HA2 . 19666 1 109 . 1 1 12 12 GLY HA3 H 1 3.691 0.03 . 2 . . . A 12 GLY HA3 . 19666 1 110 . 1 1 12 12 GLY C C 13 174.908 0.30 . 1 . . . A 12 GLY C . 19666 1 111 . 1 1 12 12 GLY CA C 13 45.155 0.30 . 1 . . . A 12 GLY CA . 19666 1 112 . 1 1 12 12 GLY N N 15 111.386 0.30 . 1 . . . A 12 GLY N . 19666 1 113 . 1 1 13 13 CYS H H 1 8.051 0.03 . 1 . . . A 13 CYS H . 19666 1 114 . 1 1 13 13 CYS HA H 1 4.575 0.03 . 1 . . . A 13 CYS HA . 19666 1 115 . 1 1 13 13 CYS HB2 H 1 3.162 0.03 . 2 . . . A 13 CYS HB2 . 19666 1 116 . 1 1 13 13 CYS HB3 H 1 3.135 0.03 . 2 . . . A 13 CYS HB3 . 19666 1 117 . 1 1 13 13 CYS C C 13 173.390 0.30 . 1 . . . A 13 CYS C . 19666 1 118 . 1 1 13 13 CYS CA C 13 55.412 0.30 . 1 . . . A 13 CYS CA . 19666 1 119 . 1 1 13 13 CYS CB C 13 40.858 0.30 . 1 . . . A 13 CYS CB . 19666 1 120 . 1 1 13 13 CYS N N 15 118.593 0.30 . 1 . . . A 13 CYS N . 19666 1 121 . 1 1 14 14 LYS H H 1 8.661 0.03 . 1 . . . A 14 LYS H . 19666 1 122 . 1 1 14 14 LYS HA H 1 4.413 0.03 . 1 . . . A 14 LYS HA . 19666 1 123 . 1 1 14 14 LYS HB2 H 1 1.715 0.03 . 2 . . . A 14 LYS HB2 . 19666 1 124 . 1 1 14 14 LYS HB3 H 1 1.595 0.03 . 2 . . . A 14 LYS HB3 . 19666 1 125 . 1 1 14 14 LYS HG2 H 1 1.629 0.03 . 2 . . . A 14 LYS HG2 . 19666 1 126 . 1 1 14 14 LYS HG3 H 1 1.332 0.03 . 2 . . . A 14 LYS HG3 . 19666 1 127 . 1 1 14 14 LYS HD2 H 1 1.819 0.03 . 2 . . . A 14 LYS HD2 . 19666 1 128 . 1 1 14 14 LYS HD3 H 1 1.571 0.03 . 2 . . . A 14 LYS HD3 . 19666 1 129 . 1 1 14 14 LYS HE2 H 1 2.974 0.03 . 2 . . . A 14 LYS HE2 . 19666 1 130 . 1 1 14 14 LYS HE3 H 1 2.924 0.03 . 2 . . . A 14 LYS HE3 . 19666 1 131 . 1 1 14 14 LYS C C 13 174.523 0.30 . 1 . . . A 14 LYS C . 19666 1 132 . 1 1 14 14 LYS CA C 13 56.695 0.30 . 1 . . . A 14 LYS CA . 19666 1 133 . 1 1 14 14 LYS CB C 13 34.840 0.30 . 1 . . . A 14 LYS CB . 19666 1 134 . 1 1 14 14 LYS CG C 13 26.406 0.30 . 1 . . . A 14 LYS CG . 19666 1 135 . 1 1 14 14 LYS CD C 13 28.750 0.30 . 1 . . . A 14 LYS CD . 19666 1 136 . 1 1 14 14 LYS CE C 13 42.812 0.30 . 1 . . . A 14 LYS CE . 19666 1 137 . 1 1 14 14 LYS N N 15 120.527 0.30 . 1 . . . A 14 LYS N . 19666 1 138 . 1 1 15 15 LYS H H 1 7.335 0.03 . 1 . . . A 15 LYS H . 19666 1 139 . 1 1 15 15 LYS HA H 1 4.045 0.03 . 1 . . . A 15 LYS HA . 19666 1 140 . 1 1 15 15 LYS HB2 H 1 2.136 0.03 . 2 . . . A 15 LYS HB2 . 19666 1 141 . 1 1 15 15 LYS HB3 H 1 1.555 0.03 . 2 . . . A 15 LYS HB3 . 19666 1 142 . 1 1 15 15 LYS HG2 H 1 1.615 0.03 . 2 . . . A 15 LYS HG2 . 19666 1 143 . 1 1 15 15 LYS HG3 H 1 1.143 0.03 . 2 . . . A 15 LYS HG3 . 19666 1 144 . 1 1 15 15 LYS HD2 H 1 1.686 0.03 . 2 . . . A 15 LYS HD2 . 19666 1 145 . 1 1 15 15 LYS HD3 H 1 1.596 0.03 . 2 . . . A 15 LYS HD3 . 19666 1 146 . 1 1 15 15 LYS HE2 H 1 2.952 0.03 . 1 . . . A 15 LYS HE2 . 19666 1 147 . 1 1 15 15 LYS HE3 H 1 2.952 0.03 . 1 . . . A 15 LYS HE3 . 19666 1 148 . 1 1 15 15 LYS C C 13 174.446 0.30 . 1 . . . A 15 LYS C . 19666 1 149 . 1 1 15 15 LYS CA C 13 55.806 0.30 . 1 . . . A 15 LYS CA . 19666 1 150 . 1 1 15 15 LYS CB C 13 34.975 0.30 . 1 . . . A 15 LYS CB . 19666 1 151 . 1 1 15 15 LYS CG C 13 26.930 0.30 . 1 . . . A 15 LYS CG . 19666 1 152 . 1 1 15 15 LYS CD C 13 29.724 0.30 . 1 . . . A 15 LYS CD . 19666 1 153 . 1 1 15 15 LYS CE C 13 42.349 0.30 . 1 . . . A 15 LYS CE . 19666 1 154 . 1 1 15 15 LYS N N 15 120.000 0.30 . 1 . . . A 15 LYS N . 19666 1 155 . 1 1 16 16 TYR H H 1 9.183 0.03 . 1 . . . A 16 TYR H . 19666 1 156 . 1 1 16 16 TYR HA H 1 3.609 0.03 . 1 . . . A 16 TYR HA . 19666 1 157 . 1 1 16 16 TYR HB2 H 1 2.748 0.03 . 2 . . . A 16 TYR HB2 . 19666 1 158 . 1 1 16 16 TYR HB3 H 1 2.602 0.03 . 2 . . . A 16 TYR HB3 . 19666 1 159 . 1 1 16 16 TYR HD1 H 1 6.809 0.03 . 1 . . . A 16 TYR HD1 . 19666 1 160 . 1 1 16 16 TYR HD2 H 1 6.809 0.03 . 1 . . . A 16 TYR HD2 . 19666 1 161 . 1 1 16 16 TYR HE1 H 1 7.121 0.03 . 1 . . . A 16 TYR HE1 . 19666 1 162 . 1 1 16 16 TYR HE2 H 1 7.121 0.03 . 1 . . . A 16 TYR HE2 . 19666 1 163 . 1 1 16 16 TYR C C 13 176.146 0.30 . 1 . . . A 16 TYR C . 19666 1 164 . 1 1 16 16 TYR CA C 13 59.985 0.30 . 1 . . . A 16 TYR CA . 19666 1 165 . 1 1 16 16 TYR CB C 13 39.182 0.30 . 1 . . . A 16 TYR CB . 19666 1 166 . 1 1 16 16 TYR CD1 C 13 133.203 0.30 . 1 . . . A 16 TYR CD1 . 19666 1 167 . 1 1 16 16 TYR CD2 C 13 133.203 0.30 . 1 . . . A 16 TYR CD2 . 19666 1 168 . 1 1 16 16 TYR CE1 C 13 118.160 0.30 . 1 . . . A 16 TYR CE1 . 19666 1 169 . 1 1 16 16 TYR CE2 C 13 118.160 0.30 . 1 . . . A 16 TYR CE2 . 19666 1 170 . 1 1 16 16 TYR N N 15 118.242 0.30 . 1 . . . A 16 TYR N . 19666 1 171 . 1 1 17 17 ASP H H 1 9.185 0.03 . 1 . . . A 17 ASP H . 19666 1 172 . 1 1 17 17 ASP HA H 1 4.089 0.03 . 1 . . . A 17 ASP HA . 19666 1 173 . 1 1 17 17 ASP HB2 H 1 2.911 0.03 . 2 . . . A 17 ASP HB2 . 19666 1 174 . 1 1 17 17 ASP HB3 H 1 2.510 0.03 . 2 . . . A 17 ASP HB3 . 19666 1 175 . 1 1 17 17 ASP C C 13 174.793 0.30 . 1 . . . A 17 ASP C . 19666 1 176 . 1 1 17 17 ASP CA C 13 55.382 0.30 . 1 . . . A 17 ASP CA . 19666 1 177 . 1 1 17 17 ASP CB C 13 39.934 0.30 . 1 . . . A 17 ASP CB . 19666 1 178 . 1 1 17 17 ASP N N 15 123.164 0.30 . 1 . . . A 17 ASP N . 19666 1 179 . 1 1 18 18 VAL H H 1 7.873 0.03 . 1 . . . A 18 VAL H . 19666 1 180 . 1 1 18 18 VAL HA H 1 3.969 0.03 . 1 . . . A 18 VAL HA . 19666 1 181 . 1 1 18 18 VAL HB H 1 2.278 0.03 . 1 . . . A 18 VAL HB . 19666 1 182 . 1 1 18 18 VAL HG11 H 1 0.825 0.03 . 2 . . . A 18 VAL HG11 . 19666 1 183 . 1 1 18 18 VAL HG12 H 1 0.825 0.03 . 2 . . . A 18 VAL HG12 . 19666 1 184 . 1 1 18 18 VAL HG13 H 1 0.825 0.03 . 2 . . . A 18 VAL HG13 . 19666 1 185 . 1 1 18 18 VAL HG21 H 1 1.157 0.03 . 2 . . . A 18 VAL HG21 . 19666 1 186 . 1 1 18 18 VAL HG22 H 1 1.157 0.03 . 2 . . . A 18 VAL HG22 . 19666 1 187 . 1 1 18 18 VAL HG23 H 1 1.157 0.03 . 2 . . . A 18 VAL HG23 . 19666 1 188 . 1 1 18 18 VAL C C 13 175.615 0.30 . 1 . . . A 18 VAL C . 19666 1 189 . 1 1 18 18 VAL CA C 13 62.527 0.30 . 1 . . . A 18 VAL CA . 19666 1 190 . 1 1 18 18 VAL CB C 13 31.705 0.30 . 1 . . . A 18 VAL CB . 19666 1 191 . 1 1 18 18 VAL CG1 C 13 22.655 0.30 . 1 . . . A 18 VAL CG1 . 19666 1 192 . 1 1 18 18 VAL CG2 C 13 21.259 0.30 . 1 . . . A 18 VAL CG2 . 19666 1 193 . 1 1 18 18 VAL N N 15 121.230 0.30 . 1 . . . A 18 VAL N . 19666 1 194 . 1 1 19 19 GLU H H 1 8.437 0.03 . 1 . . . A 19 GLU H . 19666 1 195 . 1 1 19 19 GLU HA H 1 4.851 0.03 . 1 . . . A 19 GLU HA . 19666 1 196 . 1 1 19 19 GLU HB2 H 1 2.030 0.03 . 2 . . . A 19 GLU HB2 . 19666 1 197 . 1 1 19 19 GLU HB3 H 1 1.989 0.03 . 2 . . . A 19 GLU HB3 . 19666 1 198 . 1 1 19 19 GLU HG2 H 1 2.480 0.03 . 2 . . . A 19 GLU HG2 . 19666 1 199 . 1 1 19 19 GLU HG3 H 1 2.298 0.03 . 2 . . . A 19 GLU HG3 . 19666 1 200 . 1 1 19 19 GLU C C 13 175.883 0.30 . 1 . . . A 19 GLU C . 19666 1 201 . 1 1 19 19 GLU CA C 13 57.427 0.30 . 1 . . . A 19 GLU CA . 19666 1 202 . 1 1 19 19 GLU CB C 13 29.543 0.30 . 1 . . . A 19 GLU CB . 19666 1 203 . 1 1 19 19 GLU CG C 13 36.243 0.30 . 1 . . . A 19 GLU CG . 19666 1 204 . 1 1 19 19 GLU N N 15 126.328 0.30 . 1 . . . A 19 GLU N . 19666 1 205 . 1 1 20 20 CYS H H 1 8.357 0.03 . 1 . . . A 20 CYS H . 19666 1 206 . 1 1 20 20 CYS HA H 1 4.920 0.03 . 1 . . . A 20 CYS HA . 19666 1 207 . 1 1 20 20 CYS HB2 H 1 3.303 0.03 . 2 . . . A 20 CYS HB2 . 19666 1 208 . 1 1 20 20 CYS HB3 H 1 2.938 0.03 . 2 . . . A 20 CYS HB3 . 19666 1 209 . 1 1 20 20 CYS C C 13 172.746 0.30 . 1 . . . A 20 CYS C . 19666 1 210 . 1 1 20 20 CYS CA C 13 53.849 0.30 . 1 . . . A 20 CYS CA . 19666 1 211 . 1 1 20 20 CYS CB C 13 45.604 0.30 . 1 . . . A 20 CYS CB . 19666 1 212 . 1 1 20 20 CYS N N 15 117.715 0.30 . 1 . . . A 20 CYS N . 19666 1 213 . 1 1 21 21 ASP H H 1 8.077 0.03 . 1 . . . A 21 ASP H . 19666 1 214 . 1 1 21 21 ASP HA H 1 4.780 0.03 . 1 . . . A 21 ASP HA . 19666 1 215 . 1 1 21 21 ASP HB2 H 1 2.926 0.03 . 2 . . . A 21 ASP HB2 . 19666 1 216 . 1 1 21 21 ASP HB3 H 1 2.685 0.03 . 2 . . . A 21 ASP HB3 . 19666 1 217 . 1 1 21 21 ASP C C 13 175.903 0.30 . 1 . . . A 21 ASP C . 19666 1 218 . 1 1 21 21 ASP CA C 13 53.839 0.30 . 1 . . . A 21 ASP CA . 19666 1 219 . 1 1 21 21 ASP N N 15 119.297 0.30 . 1 . . . A 21 ASP N . 19666 1 220 . 1 1 22 22 SER H H 1 8.477 0.03 . 1 . . . A 22 SER H . 19666 1 221 . 1 1 22 22 SER HA H 1 4.066 0.03 . 1 . . . A 22 SER HA . 19666 1 222 . 1 1 22 22 SER HB2 H 1 3.823 0.03 . 2 . . . A 22 SER HB2 . 19666 1 223 . 1 1 22 22 SER HB3 H 1 3.808 0.03 . 2 . . . A 22 SER HB3 . 19666 1 224 . 1 1 22 22 SER C C 13 175.610 0.30 . 1 . . . A 22 SER C . 19666 1 225 . 1 1 22 22 SER CA C 13 59.986 0.30 . 1 . . . A 22 SER CA . 19666 1 226 . 1 1 22 22 SER CB C 13 63.377 0.30 . 1 . . . A 22 SER CB . 19666 1 227 . 1 1 22 22 SER N N 15 113.751 0.30 . 1 . . . A 22 SER N . 19666 1 228 . 1 1 23 23 GLY H H 1 8.666 0.03 . 1 . . . A 23 GLY H . 19666 1 229 . 1 1 23 23 GLY HA2 H 1 4.188 0.03 . 2 . . . A 23 GLY HA2 . 19666 1 230 . 1 1 23 23 GLY HA3 H 1 3.897 0.03 . 2 . . . A 23 GLY HA3 . 19666 1 231 . 1 1 23 23 GLY C C 13 175.341 0.30 . 1 . . . A 23 GLY C . 19666 1 232 . 1 1 23 23 GLY CA C 13 45.625 0.30 . 1 . . . A 23 GLY CA . 19666 1 233 . 1 1 23 23 GLY N N 15 112.441 0.30 . 1 . . . A 23 GLY N . 19666 1 234 . 1 1 24 24 GLU H H 1 7.852 0.03 . 1 . . . A 24 GLU H . 19666 1 235 . 1 1 24 24 GLU HA H 1 4.320 0.03 . 1 . . . A 24 GLU HA . 19666 1 236 . 1 1 24 24 GLU HB2 H 1 2.180 0.03 . 1 . . . A 24 GLU HB2 . 19666 1 237 . 1 1 24 24 GLU HB3 H 1 2.180 0.03 . 1 . . . A 24 GLU HB3 . 19666 1 238 . 1 1 24 24 GLU HG2 H 1 2.262 0.03 . 2 . . . A 24 GLU HG2 . 19666 1 239 . 1 1 24 24 GLU HG3 H 1 2.203 0.03 . 2 . . . A 24 GLU HG3 . 19666 1 240 . 1 1 24 24 GLU CA C 13 56.875 0.30 . 1 . . . A 24 GLU CA . 19666 1 241 . 1 1 24 24 GLU CB C 13 32.969 0.30 . 1 . . . A 24 GLU CB . 19666 1 242 . 1 1 24 24 GLU CG C 13 36.719 0.30 . 1 . . . A 24 GLU CG . 19666 1 243 . 1 1 24 24 GLU N N 15 115.429 0.30 . 1 . . . A 24 GLU N . 19666 1 244 . 1 1 25 25 CYS HA H 1 4.880 0.03 . 1 . . . A 25 CYS HA . 19666 1 245 . 1 1 25 25 CYS HB2 H 1 2.923 0.03 . 2 . . . A 25 CYS HB2 . 19666 1 246 . 1 1 25 25 CYS HB3 H 1 2.865 0.03 . 2 . . . A 25 CYS HB3 . 19666 1 247 . 1 1 25 25 CYS C C 13 175.605 0.30 . 1 . . . A 25 CYS C . 19666 1 248 . 1 1 25 25 CYS CA C 13 56.417 0.30 . 1 . . . A 25 CYS CA . 19666 1 249 . 1 1 25 25 CYS CB C 13 40.007 0.30 . 1 . . . A 25 CYS CB . 19666 1 250 . 1 1 26 26 CYS H H 1 9.987 0.03 . 1 . . . A 26 CYS H . 19666 1 251 . 1 1 26 26 CYS HA H 1 4.569 0.03 . 1 . . . A 26 CYS HA . 19666 1 252 . 1 1 26 26 CYS HB2 H 1 3.473 0.03 . 2 . . . A 26 CYS HB2 . 19666 1 253 . 1 1 26 26 CYS HB3 H 1 2.275 0.03 . 2 . . . A 26 CYS HB3 . 19666 1 254 . 1 1 26 26 CYS C C 13 172.335 0.30 . 1 . . . A 26 CYS C . 19666 1 255 . 1 1 26 26 CYS CA C 13 55.441 0.30 . 1 . . . A 26 CYS CA . 19666 1 256 . 1 1 26 26 CYS CB C 13 38.977 0.30 . 1 . . . A 26 CYS CB . 19666 1 257 . 1 1 26 26 CYS N N 15 122.988 0.30 . 1 . . . A 26 CYS N . 19666 1 258 . 1 1 27 27 GLN H H 1 8.129 0.03 . 1 . . . A 27 GLN H . 19666 1 259 . 1 1 27 27 GLN HA H 1 4.156 0.03 . 1 . . . A 27 GLN HA . 19666 1 260 . 1 1 27 27 GLN HB2 H 1 2.106 0.03 . 2 . . . A 27 GLN HB2 . 19666 1 261 . 1 1 27 27 GLN HB3 H 1 2.056 0.03 . 2 . . . A 27 GLN HB3 . 19666 1 262 . 1 1 27 27 GLN HG2 H 1 2.546 0.03 . 1 . . . A 27 GLN HG2 . 19666 1 263 . 1 1 27 27 GLN HG3 H 1 2.546 0.03 . 1 . . . A 27 GLN HG3 . 19666 1 264 . 1 1 27 27 GLN HE21 H 1 7.753 0.03 . 2 . . . A 27 GLN HE21 . 19666 1 265 . 1 1 27 27 GLN HE22 H 1 6.836 0.03 . 2 . . . A 27 GLN HE22 . 19666 1 266 . 1 1 27 27 GLN C C 13 178.958 0.30 . 1 . . . A 27 GLN C . 19666 1 267 . 1 1 27 27 GLN CA C 13 59.397 0.30 . 1 . . . A 27 GLN CA . 19666 1 268 . 1 1 27 27 GLN CB C 13 29.134 0.30 . 1 . . . A 27 GLN CB . 19666 1 269 . 1 1 27 27 GLN CG C 13 34.519 0.30 . 1 . . . A 27 GLN CG . 19666 1 270 . 1 1 27 27 GLN N N 15 119.472 0.30 . 1 . . . A 27 GLN N . 19666 1 271 . 1 1 27 27 GLN NE2 N 15 112.265 0.30 . 1 . . . A 27 GLN NE2 . 19666 1 272 . 1 1 28 28 LYS H H 1 7.945 0.03 . 1 . . . A 28 LYS H . 19666 1 273 . 1 1 28 28 LYS HA H 1 5.398 0.03 . 1 . . . A 28 LYS HA . 19666 1 274 . 1 1 28 28 LYS HB2 H 1 1.916 0.03 . 2 . . . A 28 LYS HB2 . 19666 1 275 . 1 1 28 28 LYS HB3 H 1 1.596 0.03 . 2 . . . A 28 LYS HB3 . 19666 1 276 . 1 1 28 28 LYS HG2 H 1 1.327 0.03 . 1 . . . A 28 LYS HG2 . 19666 1 277 . 1 1 28 28 LYS HG3 H 1 1.327 0.03 . 1 . . . A 28 LYS HG3 . 19666 1 278 . 1 1 28 28 LYS HD2 H 1 1.340 0.03 . 2 . . . A 28 LYS HD2 . 19666 1 279 . 1 1 28 28 LYS HD3 H 1 1.421 0.03 . 2 . . . A 28 LYS HD3 . 19666 1 280 . 1 1 28 28 LYS HE2 H 1 2.779 0.03 . 2 . . . A 28 LYS HE2 . 19666 1 281 . 1 1 28 28 LYS HE3 H 1 2.630 0.03 . 2 . . . A 28 LYS HE3 . 19666 1 282 . 1 1 28 28 LYS C C 13 174.506 0.30 . 1 . . . A 28 LYS C . 19666 1 283 . 1 1 28 28 LYS CA C 13 54.717 0.30 . 1 . . . A 28 LYS CA . 19666 1 284 . 1 1 28 28 LYS CB C 13 40.222 0.30 . 1 . . . A 28 LYS CB . 19666 1 285 . 1 1 28 28 LYS CG C 13 25.475 0.30 . 1 . . . A 28 LYS CG . 19666 1 286 . 1 1 28 28 LYS CD C 13 30.169 0.30 . 1 . . . A 28 LYS CD . 19666 1 287 . 1 1 28 28 LYS CE C 13 41.872 0.30 . 1 . . . A 28 LYS CE . 19666 1 288 . 1 1 28 28 LYS N N 15 111.211 0.30 . 1 . . . A 28 LYS N . 19666 1 289 . 1 1 29 29 GLN H H 1 9.096 0.03 . 1 . . . A 29 GLN H . 19666 1 290 . 1 1 29 29 GLN HA H 1 5.273 0.03 . 1 . . . A 29 GLN HA . 19666 1 291 . 1 1 29 29 GLN HB2 H 1 2.198 0.03 . 2 . . . A 29 GLN HB2 . 19666 1 292 . 1 1 29 29 GLN HB3 H 1 1.429 0.03 . 2 . . . A 29 GLN HB3 . 19666 1 293 . 1 1 29 29 GLN HG2 H 1 2.437 0.03 . 2 . . . A 29 GLN HG2 . 19666 1 294 . 1 1 29 29 GLN HG3 H 1 1.820 0.03 . 2 . . . A 29 GLN HG3 . 19666 1 295 . 1 1 29 29 GLN HE21 H 1 7.334 0.03 . 2 . . . A 29 GLN HE21 . 19666 1 296 . 1 1 29 29 GLN HE22 H 1 6.970 0.03 . 2 . . . A 29 GLN HE22 . 19666 1 297 . 1 1 29 29 GLN C C 13 173.392 0.30 . 1 . . . A 29 GLN C . 19666 1 298 . 1 1 29 29 GLN CA C 13 54.499 0.30 . 1 . . . A 29 GLN CA . 19666 1 299 . 1 1 29 29 GLN CB C 13 32.993 0.30 . 1 . . . A 29 GLN CB . 19666 1 300 . 1 1 29 29 GLN CG C 13 32.969 0.30 . 1 . . . A 29 GLN CG . 19666 1 301 . 1 1 29 29 GLN N N 15 120.527 0.30 . 1 . . . A 29 GLN N . 19666 1 302 . 1 1 29 29 GLN NE2 N 15 107.578 0.30 . 1 . . . A 29 GLN NE2 . 19666 1 303 . 1 1 30 30 TYR H H 1 8.378 0.03 . 1 . . . A 30 TYR H . 19666 1 304 . 1 1 30 30 TYR HA H 1 3.824 0.03 . 1 . . . A 30 TYR HA . 19666 1 305 . 1 1 30 30 TYR HB2 H 1 2.350 0.03 . 2 . . . A 30 TYR HB2 . 19666 1 306 . 1 1 30 30 TYR HB3 H 1 0.279 0.03 . 2 . . . A 30 TYR HB3 . 19666 1 307 . 1 1 30 30 TYR HD1 H 1 5.519 0.03 . 1 . . . A 30 TYR HD1 . 19666 1 308 . 1 1 30 30 TYR HD2 H 1 5.519 0.03 . 1 . . . A 30 TYR HD2 . 19666 1 309 . 1 1 30 30 TYR HE1 H 1 6.301 0.03 . 1 . . . A 30 TYR HE1 . 19666 1 310 . 1 1 30 30 TYR HE2 H 1 6.301 0.03 . 1 . . . A 30 TYR HE2 . 19666 1 311 . 1 1 30 30 TYR C C 13 173.213 0.30 . 1 . . . A 30 TYR C . 19666 1 312 . 1 1 30 30 TYR CA C 13 58.018 0.30 . 1 . . . A 30 TYR CA . 19666 1 313 . 1 1 30 30 TYR CB C 13 35.574 0.30 . 1 . . . A 30 TYR CB . 19666 1 314 . 1 1 30 30 TYR CD1 C 13 132.383 0.30 . 1 . . . A 30 TYR CD1 . 19666 1 315 . 1 1 30 30 TYR CD2 C 13 132.383 0.30 . 1 . . . A 30 TYR CD2 . 19666 1 316 . 1 1 30 30 TYR CE1 C 13 116.797 0.30 . 1 . . . A 30 TYR CE1 . 19666 1 317 . 1 1 30 30 TYR CE2 C 13 116.797 0.30 . 1 . . . A 30 TYR CE2 . 19666 1 318 . 1 1 30 30 TYR N N 15 130.371 0.30 . 1 . . . A 30 TYR N . 19666 1 319 . 1 1 31 31 LEU H H 1 8.015 0.03 . 1 . . . A 31 LEU H . 19666 1 320 . 1 1 31 31 LEU HA H 1 3.855 0.03 . 1 . . . A 31 LEU HA . 19666 1 321 . 1 1 31 31 LEU HB2 H 1 0.545 0.03 . 2 . . . A 31 LEU HB2 . 19666 1 322 . 1 1 31 31 LEU HB3 H 1 0.142 0.03 . 2 . . . A 31 LEU HB3 . 19666 1 323 . 1 1 31 31 LEU HG H 1 0.234 0.03 . 1 . . . A 31 LEU HG . 19666 1 324 . 1 1 31 31 LEU HD11 H 1 -0.049 0.03 . 1 . . . A 31 LEU HD11 . 19666 1 325 . 1 1 31 31 LEU HD12 H 1 -0.049 0.03 . 1 . . . A 31 LEU HD12 . 19666 1 326 . 1 1 31 31 LEU HD13 H 1 -0.049 0.03 . 1 . . . A 31 LEU HD13 . 19666 1 327 . 1 1 31 31 LEU HD21 H 1 -0.285 0.03 . 1 . . . A 31 LEU HD21 . 19666 1 328 . 1 1 31 31 LEU HD22 H 1 -0.285 0.03 . 1 . . . A 31 LEU HD22 . 19666 1 329 . 1 1 31 31 LEU HD23 H 1 -0.285 0.03 . 1 . . . A 31 LEU HD23 . 19666 1 330 . 1 1 31 31 LEU C C 13 174.716 0.30 . 1 . . . A 31 LEU C . 19666 1 331 . 1 1 31 31 LEU CA C 13 52.890 0.30 . 1 . . . A 31 LEU CA . 19666 1 332 . 1 1 31 31 LEU CB C 13 46.322 0.30 . 1 . . . A 31 LEU CB . 19666 1 333 . 1 1 31 31 LEU CG C 13 25.938 0.30 . 1 . . . A 31 LEU CG . 19666 1 334 . 1 1 31 31 LEU CD1 C 13 24.531 0.30 . 1 . . . A 31 LEU CD1 . 19666 1 335 . 1 1 31 31 LEU CD2 C 13 23.594 0.30 . 1 . . . A 31 LEU CD2 . 19666 1 336 . 1 1 31 31 LEU N N 15 132.129 0.30 . 1 . . . A 31 LEU N . 19666 1 337 . 1 1 32 32 TRP H H 1 8.835 0.03 . 1 . . . A 32 TRP H . 19666 1 338 . 1 1 32 32 TRP HA H 1 3.674 0.03 . 1 . . . A 32 TRP HA . 19666 1 339 . 1 1 32 32 TRP HB2 H 1 3.239 0.03 . 2 . . . A 32 TRP HB2 . 19666 1 340 . 1 1 32 32 TRP HB3 H 1 2.922 0.03 . 2 . . . A 32 TRP HB3 . 19666 1 341 . 1 1 32 32 TRP HD1 H 1 6.982 0.03 . 1 . . . A 32 TRP HD1 . 19666 1 342 . 1 1 32 32 TRP HE1 H 1 9.916 0.03 . 1 . . . A 32 TRP HE1 . 19666 1 343 . 1 1 32 32 TRP HE3 H 1 7.007 0.03 . 1 . . . A 32 TRP HE3 . 19666 1 344 . 1 1 32 32 TRP HZ2 H 1 7.124 0.03 . 1 . . . A 32 TRP HZ2 . 19666 1 345 . 1 1 32 32 TRP HZ3 H 1 6.764 0.03 . 1 . . . A 32 TRP HZ3 . 19666 1 346 . 1 1 32 32 TRP HH2 H 1 6.870 0.03 . 1 . . . A 32 TRP HH2 . 19666 1 347 . 1 1 32 32 TRP C C 13 176.444 0.30 . 1 . . . A 32 TRP C . 19666 1 348 . 1 1 32 32 TRP CA C 13 57.808 0.30 . 1 . . . A 32 TRP CA . 19666 1 349 . 1 1 32 32 TRP CB C 13 24.551 0.30 . 1 . . . A 32 TRP CB . 19666 1 350 . 1 1 32 32 TRP CD1 C 13 125.963 0.30 . 1 . . . A 32 TRP CD1 . 19666 1 351 . 1 1 32 32 TRP CE3 C 13 120.004 0.30 . 1 . . . A 32 TRP CE3 . 19666 1 352 . 1 1 32 32 TRP CZ2 C 13 114.077 0.30 . 1 . . . A 32 TRP CZ2 . 19666 1 353 . 1 1 32 32 TRP CZ3 C 13 121.607 0.30 . 1 . . . A 32 TRP CZ3 . 19666 1 354 . 1 1 32 32 TRP CH2 C 13 118.252 0.30 . 1 . . . A 32 TRP CH2 . 19666 1 355 . 1 1 32 32 TRP N N 15 126.855 0.30 . 1 . . . A 32 TRP N . 19666 1 356 . 1 1 32 32 TRP NE1 N 15 129.375 0.30 . 1 . . . A 32 TRP NE1 . 19666 1 357 . 1 1 33 33 TYR H H 1 8.021 0.03 . 1 . . . A 33 TYR H . 19666 1 358 . 1 1 33 33 TYR HA H 1 3.441 0.03 . 1 . . . A 33 TYR HA . 19666 1 359 . 1 1 33 33 TYR HB2 H 1 3.259 0.03 . 2 . . . A 33 TYR HB2 . 19666 1 360 . 1 1 33 33 TYR HB3 H 1 3.115 0.03 . 2 . . . A 33 TYR HB3 . 19666 1 361 . 1 1 33 33 TYR HD1 H 1 7.029 0.03 . 1 . . . A 33 TYR HD1 . 19666 1 362 . 1 1 33 33 TYR HD2 H 1 7.029 0.03 . 1 . . . A 33 TYR HD2 . 19666 1 363 . 1 1 33 33 TYR HE1 H 1 6.812 0.03 . 1 . . . A 33 TYR HE1 . 19666 1 364 . 1 1 33 33 TYR HE2 H 1 6.812 0.03 . 1 . . . A 33 TYR HE2 . 19666 1 365 . 1 1 33 33 TYR C C 13 173.802 0.30 . 1 . . . A 33 TYR C . 19666 1 366 . 1 1 33 33 TYR CA C 13 59.804 0.30 . 1 . . . A 33 TYR CA . 19666 1 367 . 1 1 33 33 TYR CB C 13 35.213 0.30 . 1 . . . A 33 TYR CB . 19666 1 368 . 1 1 33 33 TYR CD1 C 13 133.223 0.30 . 1 . . . A 33 TYR CD1 . 19666 1 369 . 1 1 33 33 TYR CD2 C 13 133.223 0.30 . 1 . . . A 33 TYR CD2 . 19666 1 370 . 1 1 33 33 TYR CE1 C 13 117.891 0.30 . 1 . . . A 33 TYR CE1 . 19666 1 371 . 1 1 33 33 TYR CE2 C 13 117.891 0.30 . 1 . . . A 33 TYR CE2 . 19666 1 372 . 1 1 33 33 TYR N N 15 109.453 0.30 . 1 . . . A 33 TYR N . 19666 1 373 . 1 1 34 34 LYS H H 1 6.799 0.03 . 1 . . . A 34 LYS H . 19666 1 374 . 1 1 34 34 LYS HA H 1 4.415 0.03 . 1 . . . A 34 LYS HA . 19666 1 375 . 1 1 34 34 LYS HB2 H 1 1.705 0.03 . 2 . . . A 34 LYS HB2 . 19666 1 376 . 1 1 34 34 LYS HB3 H 1 1.563 0.03 . 2 . . . A 34 LYS HB3 . 19666 1 377 . 1 1 34 34 LYS HG2 H 1 1.428 0.03 . 1 . . . A 34 LYS HG2 . 19666 1 378 . 1 1 34 34 LYS HG3 H 1 1.428 0.03 . 1 . . . A 34 LYS HG3 . 19666 1 379 . 1 1 34 34 LYS HD2 H 1 1.689 0.03 . 1 . . . A 34 LYS HD2 . 19666 1 380 . 1 1 34 34 LYS HD3 H 1 1.689 0.03 . 1 . . . A 34 LYS HD3 . 19666 1 381 . 1 1 34 34 LYS HE2 H 1 3.072 0.03 . 1 . . . A 34 LYS HE2 . 19666 1 382 . 1 1 34 34 LYS HE3 H 1 3.072 0.03 . 1 . . . A 34 LYS HE3 . 19666 1 383 . 1 1 34 34 LYS C C 13 174.545 0.30 . 1 . . . A 34 LYS C . 19666 1 384 . 1 1 34 34 LYS CA C 13 55.268 0.30 . 1 . . . A 34 LYS CA . 19666 1 385 . 1 1 34 34 LYS CB C 13 37.142 0.30 . 1 . . . A 34 LYS CB . 19666 1 386 . 1 1 34 34 LYS CG C 13 25.000 0.30 . 1 . . . A 34 LYS CG . 19666 1 387 . 1 1 34 34 LYS CD C 13 29.681 0.30 . 1 . . . A 34 LYS CD . 19666 1 388 . 1 1 34 34 LYS CE C 13 42.274 0.30 . 1 . . . A 34 LYS CE . 19666 1 389 . 1 1 34 34 LYS N N 15 116.660 0.30 . 1 . . . A 34 LYS N . 19666 1 390 . 1 1 35 35 TRP H H 1 8.786 0.03 . 1 . . . A 35 TRP H . 19666 1 391 . 1 1 35 35 TRP HA H 1 4.565 0.03 . 1 . . . A 35 TRP HA . 19666 1 392 . 1 1 35 35 TRP HB2 H 1 3.210 0.03 . 2 . . . A 35 TRP HB2 . 19666 1 393 . 1 1 35 35 TRP HB3 H 1 2.882 0.03 . 2 . . . A 35 TRP HB3 . 19666 1 394 . 1 1 35 35 TRP HD1 H 1 7.472 0.03 . 1 . . . A 35 TRP HD1 . 19666 1 395 . 1 1 35 35 TRP HE1 H 1 10.121 0.03 . 1 . . . A 35 TRP HE1 . 19666 1 396 . 1 1 35 35 TRP HE3 H 1 7.047 0.03 . 1 . . . A 35 TRP HE3 . 19666 1 397 . 1 1 35 35 TRP HZ2 H 1 7.425 0.03 . 1 . . . A 35 TRP HZ2 . 19666 1 398 . 1 1 35 35 TRP HZ3 H 1 6.660 0.03 . 1 . . . A 35 TRP HZ3 . 19666 1 399 . 1 1 35 35 TRP HH2 H 1 6.915 0.03 . 1 . . . A 35 TRP HH2 . 19666 1 400 . 1 1 35 35 TRP C C 13 176.720 0.30 . 1 . . . A 35 TRP C . 19666 1 401 . 1 1 35 35 TRP CA C 13 58.264 0.30 . 1 . . . A 35 TRP CA . 19666 1 402 . 1 1 35 35 TRP CB C 13 29.346 0.30 . 1 . . . A 35 TRP CB . 19666 1 403 . 1 1 35 35 TRP CD1 C 13 127.315 0.30 . 1 . . . A 35 TRP CD1 . 19666 1 404 . 1 1 35 35 TRP CE3 C 13 118.711 0.30 . 1 . . . A 35 TRP CE3 . 19666 1 405 . 1 1 35 35 TRP CZ2 C 13 115.430 0.30 . 1 . . . A 35 TRP CZ2 . 19666 1 406 . 1 1 35 35 TRP CZ3 C 13 121.967 0.30 . 1 . . . A 35 TRP CZ3 . 19666 1 407 . 1 1 35 35 TRP CH2 C 13 124.561 0.30 . 1 . . . A 35 TRP CH2 . 19666 1 408 . 1 1 35 35 TRP N N 15 122.637 0.30 . 1 . . . A 35 TRP N . 19666 1 409 . 1 1 35 35 TRP NE1 N 15 130.078 0.30 . 1 . . . A 35 TRP NE1 . 19666 1 410 . 1 1 36 36 ARG H H 1 9.128 0.03 . 1 . . . A 36 ARG H . 19666 1 411 . 1 1 36 36 ARG HA H 1 5.133 0.03 . 1 . . . A 36 ARG HA . 19666 1 412 . 1 1 36 36 ARG HB2 H 1 1.963 0.03 . 2 . . . A 36 ARG HB2 . 19666 1 413 . 1 1 36 36 ARG HB3 H 1 1.637 0.03 . 2 . . . A 36 ARG HB3 . 19666 1 414 . 1 1 36 36 ARG HG2 H 1 1.750 0.03 . 2 . . . A 36 ARG HG2 . 19666 1 415 . 1 1 36 36 ARG HG3 H 1 1.617 0.03 . 2 . . . A 36 ARG HG3 . 19666 1 416 . 1 1 36 36 ARG HD2 H 1 3.562 0.03 . 2 . . . A 36 ARG HD2 . 19666 1 417 . 1 1 36 36 ARG HD3 H 1 2.793 0.03 . 2 . . . A 36 ARG HD3 . 19666 1 418 . 1 1 36 36 ARG HE H 1 7.398 0.03 . 1 . . . A 36 ARG HE . 19666 1 419 . 1 1 36 36 ARG CA C 13 53.125 0.30 . 1 . . . A 36 ARG CA . 19666 1 420 . 1 1 36 36 ARG CB C 13 31.094 0.30 . 1 . . . A 36 ARG CB . 19666 1 421 . 1 1 36 36 ARG CG C 13 28.750 0.30 . 1 . . . A 36 ARG CG . 19666 1 422 . 1 1 36 36 ARG CD C 13 43.281 0.30 . 1 . . . A 36 ARG CD . 19666 1 423 . 1 1 36 36 ARG N N 15 125.976 0.30 . 1 . . . A 36 ARG N . 19666 1 424 . 1 1 36 36 ARG NE N 15 88.186 0.30 . 1 . . . A 36 ARG NE . 19666 1 425 . 1 1 37 37 PRO HA H 1 5.364 0.03 . 1 . . . A 37 PRO HA . 19666 1 426 . 1 1 37 37 PRO HB2 H 1 2.380 0.03 . 2 . . . A 37 PRO HB2 . 19666 1 427 . 1 1 37 37 PRO HB3 H 1 1.979 0.03 . 2 . . . A 37 PRO HB3 . 19666 1 428 . 1 1 37 37 PRO HG2 H 1 2.335 0.03 . 2 . . . A 37 PRO HG2 . 19666 1 429 . 1 1 37 37 PRO HG3 H 1 1.986 0.03 . 2 . . . A 37 PRO HG3 . 19666 1 430 . 1 1 37 37 PRO HD2 H 1 4.022 0.03 . 2 . . . A 37 PRO HD2 . 19666 1 431 . 1 1 37 37 PRO HD3 H 1 3.922 0.03 . 2 . . . A 37 PRO HD3 . 19666 1 432 . 1 1 37 37 PRO C C 13 175.961 0.30 . 1 . . . A 37 PRO C . 19666 1 433 . 1 1 37 37 PRO CA C 13 62.020 0.30 . 1 . . . A 37 PRO CA . 19666 1 434 . 1 1 37 37 PRO CB C 13 32.149 0.30 . 1 . . . A 37 PRO CB . 19666 1 435 . 1 1 37 37 PRO CG C 13 27.813 0.30 . 1 . . . A 37 PRO CG . 19666 1 436 . 1 1 37 37 PRO CD C 13 51.250 0.30 . 1 . . . A 37 PRO CD . 19666 1 437 . 1 1 38 38 LEU H H 1 7.047 0.03 . 1 . . . A 38 LEU H . 19666 1 438 . 1 1 38 38 LEU HA H 1 5.613 0.03 . 1 . . . A 38 LEU HA . 19666 1 439 . 1 1 38 38 LEU HB2 H 1 2.423 0.03 . 2 . . . A 38 LEU HB2 . 19666 1 440 . 1 1 38 38 LEU HB3 H 1 1.010 0.03 . 2 . . . A 38 LEU HB3 . 19666 1 441 . 1 1 38 38 LEU HG H 1 1.514 0.03 . 1 . . . A 38 LEU HG . 19666 1 442 . 1 1 38 38 LEU HD11 H 1 0.941 0.03 . 1 . . . A 38 LEU HD11 . 19666 1 443 . 1 1 38 38 LEU HD12 H 1 0.941 0.03 . 1 . . . A 38 LEU HD12 . 19666 1 444 . 1 1 38 38 LEU HD13 H 1 0.941 0.03 . 1 . . . A 38 LEU HD13 . 19666 1 445 . 1 1 38 38 LEU HD21 H 1 0.714 0.03 . 1 . . . A 38 LEU HD21 . 19666 1 446 . 1 1 38 38 LEU HD22 H 1 0.714 0.03 . 1 . . . A 38 LEU HD22 . 19666 1 447 . 1 1 38 38 LEU HD23 H 1 0.714 0.03 . 1 . . . A 38 LEU HD23 . 19666 1 448 . 1 1 38 38 LEU C C 13 177.828 0.30 . 1 . . . A 38 LEU C . 19666 1 449 . 1 1 38 38 LEU CA C 13 52.488 0.30 . 1 . . . A 38 LEU CA . 19666 1 450 . 1 1 38 38 LEU CB C 13 45.969 0.30 . 1 . . . A 38 LEU CB . 19666 1 451 . 1 1 38 38 LEU CG C 13 27.344 0.30 . 1 . . . A 38 LEU CG . 19666 1 452 . 1 1 38 38 LEU CD1 C 13 26.406 0.30 . 1 . . . A 38 LEU CD1 . 19666 1 453 . 1 1 38 38 LEU CD2 C 13 23.125 0.30 . 1 . . . A 38 LEU CD2 . 19666 1 454 . 1 1 38 38 LEU N N 15 116.660 0.30 . 1 . . . A 38 LEU N . 19666 1 455 . 1 1 39 39 ASP H H 1 9.136 0.03 . 1 . . . A 39 ASP H . 19666 1 456 . 1 1 39 39 ASP HA H 1 4.665 0.03 . 1 . . . A 39 ASP HA . 19666 1 457 . 1 1 39 39 ASP HB2 H 1 2.740 0.03 . 2 . . . A 39 ASP HB2 . 19666 1 458 . 1 1 39 39 ASP HB3 H 1 2.388 0.03 . 2 . . . A 39 ASP HB3 . 19666 1 459 . 1 1 39 39 ASP C C 13 173.855 0.30 . 1 . . . A 39 ASP C . 19666 1 460 . 1 1 39 39 ASP CA C 13 53.115 0.30 . 1 . . . A 39 ASP CA . 19666 1 461 . 1 1 39 39 ASP CB C 13 44.870 0.30 . 1 . . . A 39 ASP CB . 19666 1 462 . 1 1 39 39 ASP N N 15 117.187 0.30 . 1 . . . A 39 ASP N . 19666 1 463 . 1 1 40 40 CYS H H 1 8.704 0.03 . 1 . . . A 40 CYS H . 19666 1 464 . 1 1 40 40 CYS HA H 1 4.645 0.03 . 1 . . . A 40 CYS HA . 19666 1 465 . 1 1 40 40 CYS HB2 H 1 3.010 0.03 . 2 . . . A 40 CYS HB2 . 19666 1 466 . 1 1 40 40 CYS HB3 H 1 2.877 0.03 . 2 . . . A 40 CYS HB3 . 19666 1 467 . 1 1 40 40 CYS C C 13 173.638 0.30 . 1 . . . A 40 CYS C . 19666 1 468 . 1 1 40 40 CYS CA C 13 56.149 0.30 . 1 . . . A 40 CYS CA . 19666 1 469 . 1 1 40 40 CYS CB C 13 38.887 0.30 . 1 . . . A 40 CYS CB . 19666 1 470 . 1 1 40 40 CYS N N 15 122.812 0.30 . 1 . . . A 40 CYS N . 19666 1 471 . 1 1 41 41 ARG H H 1 8.742 0.03 . 1 . . . A 41 ARG H . 19666 1 472 . 1 1 41 41 ARG HA H 1 4.686 0.03 . 1 . . . A 41 ARG HA . 19666 1 473 . 1 1 41 41 ARG HB2 H 1 1.826 0.03 . 2 . . . A 41 ARG HB2 . 19666 1 474 . 1 1 41 41 ARG HB3 H 1 1.731 0.03 . 2 . . . A 41 ARG HB3 . 19666 1 475 . 1 1 41 41 ARG HG2 H 1 1.639 0.03 . 2 . . . A 41 ARG HG2 . 19666 1 476 . 1 1 41 41 ARG HG3 H 1 1.444 0.03 . 2 . . . A 41 ARG HG3 . 19666 1 477 . 1 1 41 41 ARG HD2 H 1 3.211 0.03 . 2 . . . A 41 ARG HD2 . 19666 1 478 . 1 1 41 41 ARG HD3 H 1 3.139 0.03 . 2 . . . A 41 ARG HD3 . 19666 1 479 . 1 1 41 41 ARG HE H 1 7.519 0.03 . 1 . . . A 41 ARG HE . 19666 1 480 . 1 1 41 41 ARG C C 13 175.082 0.30 . 1 . . . A 41 ARG C . 19666 1 481 . 1 1 41 41 ARG CA C 13 54.050 0.30 . 1 . . . A 41 ARG CA . 19666 1 482 . 1 1 41 41 ARG CB C 13 32.462 0.30 . 1 . . . A 41 ARG CB . 19666 1 483 . 1 1 41 41 ARG CG C 13 26.410 0.30 . 1 . . . A 41 ARG CG . 19666 1 484 . 1 1 41 41 ARG CD C 13 42.809 0.30 . 1 . . . A 41 ARG CD . 19666 1 485 . 1 1 41 41 ARG N N 15 131.953 0.30 . 1 . . . A 41 ARG N . 19666 1 486 . 1 1 41 41 ARG NE N 15 84.436 0.30 . 1 . . . A 41 ARG NE . 19666 1 487 . 1 1 42 42 CYS H H 1 8.945 0.03 . 1 . . . A 42 CYS H . 19666 1 488 . 1 1 42 42 CYS HA H 1 5.216 0.03 . 1 . . . A 42 CYS HA . 19666 1 489 . 1 1 42 42 CYS HB2 H 1 2.918 0.03 . 2 . . . A 42 CYS HB2 . 19666 1 490 . 1 1 42 42 CYS HB3 H 1 2.833 0.03 . 2 . . . A 42 CYS HB3 . 19666 1 491 . 1 1 42 42 CYS C C 13 174.439 0.30 . 1 . . . A 42 CYS C . 19666 1 492 . 1 1 42 42 CYS CA C 13 55.531 0.30 . 1 . . . A 42 CYS CA . 19666 1 493 . 1 1 42 42 CYS CB C 13 44.384 0.30 . 1 . . . A 42 CYS CB . 19666 1 494 . 1 1 42 42 CYS N N 15 123.340 0.30 . 1 . . . A 42 CYS N . 19666 1 495 . 1 1 43 43 LEU H H 1 8.722 0.03 . 1 . . . A 43 LEU H . 19666 1 496 . 1 1 43 43 LEU HA H 1 4.544 0.03 . 1 . . . A 43 LEU HA . 19666 1 497 . 1 1 43 43 LEU HB2 H 1 1.755 0.03 . 2 . . . A 43 LEU HB2 . 19666 1 498 . 1 1 43 43 LEU HB3 H 1 1.591 0.03 . 2 . . . A 43 LEU HB3 . 19666 1 499 . 1 1 43 43 LEU HG H 1 1.676 0.03 . 1 . . . A 43 LEU HG . 19666 1 500 . 1 1 43 43 LEU HD11 H 1 0.850 0.03 . 2 . . . A 43 LEU HD11 . 19666 1 501 . 1 1 43 43 LEU HD12 H 1 0.850 0.03 . 2 . . . A 43 LEU HD12 . 19666 1 502 . 1 1 43 43 LEU HD13 H 1 0.850 0.03 . 2 . . . A 43 LEU HD13 . 19666 1 503 . 1 1 43 43 LEU HD21 H 1 0.843 0.03 . 2 . . . A 43 LEU HD21 . 19666 1 504 . 1 1 43 43 LEU HD22 H 1 0.843 0.03 . 2 . . . A 43 LEU HD22 . 19666 1 505 . 1 1 43 43 LEU HD23 H 1 0.843 0.03 . 2 . . . A 43 LEU HD23 . 19666 1 506 . 1 1 43 43 LEU C C 13 176.723 0.30 . 1 . . . A 43 LEU C . 19666 1 507 . 1 1 43 43 LEU CA C 13 54.458 0.30 . 1 . . . A 43 LEU CA . 19666 1 508 . 1 1 43 43 LEU CB C 13 43.516 0.30 . 1 . . . A 43 LEU CB . 19666 1 509 . 1 1 43 43 LEU CG C 13 26.912 0.30 . 1 . . . A 43 LEU CG . 19666 1 510 . 1 1 43 43 LEU CD1 C 13 25.072 0.30 . 1 . . . A 43 LEU CD1 . 19666 1 511 . 1 1 43 43 LEU CD2 C 13 23.623 0.30 . 1 . . . A 43 LEU CD2 . 19666 1 512 . 1 1 43 43 LEU N N 15 125.976 0.30 . 1 . . . A 43 LEU N . 19666 1 513 . 1 1 44 44 LYS H H 1 8.577 0.03 . 1 . . . A 44 LYS H . 19666 1 514 . 1 1 44 44 LYS HA H 1 4.521 0.03 . 1 . . . A 44 LYS HA . 19666 1 515 . 1 1 44 44 LYS HB2 H 1 1.875 0.03 . 2 . . . A 44 LYS HB2 . 19666 1 516 . 1 1 44 44 LYS HB3 H 1 1.714 0.03 . 2 . . . A 44 LYS HB3 . 19666 1 517 . 1 1 44 44 LYS HG2 H 1 1.455 0.03 . 2 . . . A 44 LYS HG2 . 19666 1 518 . 1 1 44 44 LYS HG3 H 1 1.369 0.03 . 2 . . . A 44 LYS HG3 . 19666 1 519 . 1 1 44 44 LYS HD2 H 1 1.640 0.03 . 2 . . . A 44 LYS HD2 . 19666 1 520 . 1 1 44 44 LYS HD3 H 1 1.570 0.03 . 2 . . . A 44 LYS HD3 . 19666 1 521 . 1 1 44 44 LYS HE2 H 1 2.948 0.03 . 1 . . . A 44 LYS HE2 . 19666 1 522 . 1 1 44 44 LYS HE3 H 1 2.948 0.03 . 1 . . . A 44 LYS HE3 . 19666 1 523 . 1 1 44 44 LYS C C 13 176.254 0.30 . 1 . . . A 44 LYS C . 19666 1 524 . 1 1 44 44 LYS CA C 13 56.395 0.30 . 1 . . . A 44 LYS CA . 19666 1 525 . 1 1 44 44 LYS CB C 13 33.171 0.30 . 1 . . . A 44 LYS CB . 19666 1 526 . 1 1 44 44 LYS CG C 13 24.961 0.30 . 1 . . . A 44 LYS CG . 19666 1 527 . 1 1 44 44 LYS CD C 13 29.176 0.30 . 1 . . . A 44 LYS CD . 19666 1 528 . 1 1 44 44 LYS CE C 13 41.875 0.30 . 1 . . . A 44 LYS CE . 19666 1 529 . 1 1 44 44 LYS N N 15 122.285 0.30 . 1 . . . A 44 LYS N . 19666 1 530 . 1 1 45 45 SER H H 1 8.254 0.03 . 1 . . . A 45 SER H . 19666 1 531 . 1 1 45 45 SER HA H 1 4.562 0.03 . 1 . . . A 45 SER HA . 19666 1 532 . 1 1 45 45 SER HB2 H 1 3.811 0.03 . 2 . . . A 45 SER HB2 . 19666 1 533 . 1 1 45 45 SER HB3 H 1 3.701 0.03 . 2 . . . A 45 SER HB3 . 19666 1 534 . 1 1 45 45 SER C C 13 174.264 0.30 . 1 . . . A 45 SER C . 19666 1 535 . 1 1 45 45 SER CA C 13 57.318 0.30 . 1 . . . A 45 SER CA . 19666 1 536 . 1 1 45 45 SER CB C 13 64.221 0.30 . 1 . . . A 45 SER CB . 19666 1 537 . 1 1 45 45 SER N N 15 117.715 0.30 . 1 . . . A 45 SER N . 19666 1 538 . 1 1 46 46 GLY H H 1 8.405 0.03 . 1 . . . A 46 GLY H . 19666 1 539 . 1 1 46 46 GLY HA2 H 1 3.960 0.03 . 2 . . . A 46 GLY HA2 . 19666 1 540 . 1 1 46 46 GLY HA3 H 1 3.746 0.03 . 2 . . . A 46 GLY HA3 . 19666 1 541 . 1 1 46 46 GLY C C 13 174.068 0.30 . 1 . . . A 46 GLY C . 19666 1 542 . 1 1 46 46 GLY CA C 13 45.310 0.30 . 1 . . . A 46 GLY CA . 19666 1 543 . 1 1 46 46 GLY N N 15 111.386 0.30 . 1 . . . A 46 GLY N . 19666 1 544 . 1 1 47 47 PHE H H 1 8.362 0.03 . 1 . . . A 47 PHE H . 19666 1 545 . 1 1 47 47 PHE HA H 1 4.364 0.03 . 1 . . . A 47 PHE HA . 19666 1 546 . 1 1 47 47 PHE HB2 H 1 2.836 0.03 . 2 . . . A 47 PHE HB2 . 19666 1 547 . 1 1 47 47 PHE HB3 H 1 2.714 0.03 . 2 . . . A 47 PHE HB3 . 19666 1 548 . 1 1 47 47 PHE HD1 H 1 7.008 0.03 . 1 . . . A 47 PHE HD1 . 19666 1 549 . 1 1 47 47 PHE HD2 H 1 7.008 0.03 . 1 . . . A 47 PHE HD2 . 19666 1 550 . 1 1 47 47 PHE HE1 H 1 7.390 0.03 . 1 . . . A 47 PHE HE1 . 19666 1 551 . 1 1 47 47 PHE HE2 H 1 7.390 0.03 . 1 . . . A 47 PHE HE2 . 19666 1 552 . 1 1 47 47 PHE HZ H 1 7.366 0.03 . 1 . . . A 47 PHE HZ . 19666 1 553 . 1 1 47 47 PHE C C 13 176.313 0.30 . 1 . . . A 47 PHE C . 19666 1 554 . 1 1 47 47 PHE CA C 13 58.892 0.30 . 1 . . . A 47 PHE CA . 19666 1 555 . 1 1 47 47 PHE CB C 13 39.249 0.30 . 1 . . . A 47 PHE CB . 19666 1 556 . 1 1 47 47 PHE CD1 C 13 133.323 0.30 . 1 . . . A 47 PHE CD1 . 19666 1 557 . 1 1 47 47 PHE CD2 C 13 133.323 0.30 . 1 . . . A 47 PHE CD2 . 19666 1 558 . 1 1 47 47 PHE CE1 C 13 131.621 0.30 . 1 . . . A 47 PHE CE1 . 19666 1 559 . 1 1 47 47 PHE CE2 C 13 131.621 0.30 . 1 . . . A 47 PHE CE2 . 19666 1 560 . 1 1 47 47 PHE CZ C 13 129.505 0.30 . 1 . . . A 47 PHE CZ . 19666 1 561 . 1 1 47 47 PHE N N 15 120.703 0.30 . 1 . . . A 47 PHE N . 19666 1 562 . 1 1 48 48 PHE H H 1 8.316 0.03 . 1 . . . A 48 PHE H . 19666 1 563 . 1 1 48 48 PHE HA H 1 4.670 0.03 . 1 . . . A 48 PHE HA . 19666 1 564 . 1 1 48 48 PHE HB2 H 1 3.336 0.03 . 2 . . . A 48 PHE HB2 . 19666 1 565 . 1 1 48 48 PHE HB3 H 1 3.007 0.03 . 2 . . . A 48 PHE HB3 . 19666 1 566 . 1 1 48 48 PHE HD1 H 1 7.280 0.03 . 1 . . . A 48 PHE HD1 . 19666 1 567 . 1 1 48 48 PHE HD2 H 1 7.280 0.03 . 1 . . . A 48 PHE HD2 . 19666 1 568 . 1 1 48 48 PHE HE1 H 1 7.006 0.03 . 1 . . . A 48 PHE HE1 . 19666 1 569 . 1 1 48 48 PHE HE2 H 1 7.006 0.03 . 1 . . . A 48 PHE HE2 . 19666 1 570 . 1 1 48 48 PHE C C 13 175.325 0.30 . 1 . . . A 48 PHE C . 19666 1 571 . 1 1 48 48 PHE CA C 13 57.687 0.30 . 1 . . . A 48 PHE CA . 19666 1 572 . 1 1 48 48 PHE CB C 13 39.669 0.30 . 1 . . . A 48 PHE CB . 19666 1 573 . 1 1 48 48 PHE CD1 C 13 131.562 0.30 . 1 . . . A 48 PHE CD1 . 19666 1 574 . 1 1 48 48 PHE CD2 C 13 131.562 0.30 . 1 . . . A 48 PHE CD2 . 19666 1 575 . 1 1 48 48 PHE CE1 C 13 131.289 0.30 . 1 . . . A 48 PHE CE1 . 19666 1 576 . 1 1 48 48 PHE CE2 C 13 131.289 0.30 . 1 . . . A 48 PHE CE2 . 19666 1 577 . 1 1 48 48 PHE N N 15 117.363 0.30 . 1 . . . A 48 PHE N . 19666 1 578 . 1 1 49 49 SER H H 1 7.831 0.03 . 1 . . . A 49 SER H . 19666 1 579 . 1 1 49 49 SER HA H 1 4.498 0.03 . 1 . . . A 49 SER HA . 19666 1 580 . 1 1 49 49 SER HB2 H 1 3.822 0.03 . 2 . . . A 49 SER HB2 . 19666 1 581 . 1 1 49 49 SER HB3 H 1 3.825 0.03 . 2 . . . A 49 SER HB3 . 19666 1 582 . 1 1 49 49 SER C C 13 174.190 0.30 . 1 . . . A 49 SER C . 19666 1 583 . 1 1 49 49 SER CA C 13 58.441 0.30 . 1 . . . A 49 SER CA . 19666 1 584 . 1 1 49 49 SER CB C 13 64.234 0.30 . 1 . . . A 49 SER CB . 19666 1 585 . 1 1 49 49 SER N N 15 114.726 0.30 . 1 . . . A 49 SER N . 19666 1 586 . 1 1 50 50 SER H H 1 8.396 0.03 . 1 . . . A 50 SER H . 19666 1 587 . 1 1 50 50 SER HA H 1 4.682 0.03 . 1 . . . A 50 SER HA . 19666 1 588 . 1 1 50 50 SER HB2 H 1 3.799 0.03 . 2 . . . A 50 SER HB2 . 19666 1 589 . 1 1 50 50 SER HB3 H 1 3.770 0.03 . 2 . . . A 50 SER HB3 . 19666 1 590 . 1 1 50 50 SER C C 13 173.200 0.30 . 1 . . . A 50 SER C . 19666 1 591 . 1 1 50 50 SER CA C 13 58.394 0.30 . 1 . . . A 50 SER CA . 19666 1 592 . 1 1 50 50 SER CB C 13 64.843 0.30 . 1 . . . A 50 SER CB . 19666 1 593 . 1 1 50 50 SER N N 15 117.363 0.30 . 1 . . . A 50 SER N . 19666 1 594 . 1 1 51 51 LYS H H 1 8.453 0.03 . 1 . . . A 51 LYS H . 19666 1 595 . 1 1 51 51 LYS HA H 1 4.528 0.03 . 1 . . . A 51 LYS HA . 19666 1 596 . 1 1 51 51 LYS HB2 H 1 1.781 0.03 . 2 . . . A 51 LYS HB2 . 19666 1 597 . 1 1 51 51 LYS HB3 H 1 1.741 0.03 . 2 . . . A 51 LYS HB3 . 19666 1 598 . 1 1 51 51 LYS HG2 H 1 1.350 0.03 . 2 . . . A 51 LYS HG2 . 19666 1 599 . 1 1 51 51 LYS HG3 H 1 1.296 0.03 . 2 . . . A 51 LYS HG3 . 19666 1 600 . 1 1 51 51 LYS HD2 H 1 1.565 0.03 . 1 . . . A 51 LYS HD2 . 19666 1 601 . 1 1 51 51 LYS HD3 H 1 1.565 0.03 . 1 . . . A 51 LYS HD3 . 19666 1 602 . 1 1 51 51 LYS HE2 H 1 2.838 0.03 . 1 . . . A 51 LYS HE2 . 19666 1 603 . 1 1 51 51 LYS HE3 H 1 2.838 0.03 . 1 . . . A 51 LYS HE3 . 19666 1 604 . 1 1 51 51 LYS C C 13 175.239 0.30 . 1 . . . A 51 LYS C . 19666 1 605 . 1 1 51 51 LYS CA C 13 55.759 0.30 . 1 . . . A 51 LYS CA . 19666 1 606 . 1 1 51 51 LYS CB C 13 34.450 0.30 . 1 . . . A 51 LYS CB . 19666 1 607 . 1 1 51 51 LYS CG C 13 24.538 0.30 . 1 . . . A 51 LYS CG . 19666 1 608 . 1 1 51 51 LYS CD C 13 29.219 0.30 . 1 . . . A 51 LYS CD . 19666 1 609 . 1 1 51 51 LYS CE C 13 42.036 0.30 . 1 . . . A 51 LYS CE . 19666 1 610 . 1 1 51 51 LYS N N 15 122.812 0.30 . 1 . . . A 51 LYS N . 19666 1 611 . 1 1 52 52 CYS H H 1 8.828 0.03 . 1 . . . A 52 CYS H . 19666 1 612 . 1 1 52 52 CYS HA H 1 5.525 0.03 . 1 . . . A 52 CYS HA . 19666 1 613 . 1 1 52 52 CYS HB2 H 1 3.493 0.03 . 2 . . . A 52 CYS HB2 . 19666 1 614 . 1 1 52 52 CYS HB3 H 1 2.677 0.03 . 2 . . . A 52 CYS HB3 . 19666 1 615 . 1 1 52 52 CYS C C 13 174.345 0.30 . 1 . . . A 52 CYS C . 19666 1 616 . 1 1 52 52 CYS CA C 13 55.786 0.30 . 1 . . . A 52 CYS CA . 19666 1 617 . 1 1 52 52 CYS CB C 13 47.500 0.30 . 1 . . . A 52 CYS CB . 19666 1 618 . 1 1 52 52 CYS N N 15 124.922 0.30 . 1 . . . A 52 CYS N . 19666 1 619 . 1 1 53 53 VAL H H 1 8.625 0.03 . 1 . . . A 53 VAL H . 19666 1 620 . 1 1 53 53 VAL HA H 1 5.011 0.03 . 1 . . . A 53 VAL HA . 19666 1 621 . 1 1 53 53 VAL HB H 1 1.558 0.03 . 1 . . . A 53 VAL HB . 19666 1 622 . 1 1 53 53 VAL HG11 H 1 0.617 0.03 . 1 . . . A 53 VAL HG11 . 19666 1 623 . 1 1 53 53 VAL HG12 H 1 0.617 0.03 . 1 . . . A 53 VAL HG12 . 19666 1 624 . 1 1 53 53 VAL HG13 H 1 0.617 0.03 . 1 . . . A 53 VAL HG13 . 19666 1 625 . 1 1 53 53 VAL HG21 H 1 0.668 0.03 . 1 . . . A 53 VAL HG21 . 19666 1 626 . 1 1 53 53 VAL HG22 H 1 0.668 0.03 . 1 . . . A 53 VAL HG22 . 19666 1 627 . 1 1 53 53 VAL HG23 H 1 0.668 0.03 . 1 . . . A 53 VAL HG23 . 19666 1 628 . 1 1 53 53 VAL C C 13 176.396 0.30 . 1 . . . A 53 VAL C . 19666 1 629 . 1 1 53 53 VAL CA C 13 59.190 0.30 . 1 . . . A 53 VAL CA . 19666 1 630 . 1 1 53 53 VAL CB C 13 37.293 0.30 . 1 . . . A 53 VAL CB . 19666 1 631 . 1 1 53 53 VAL CG1 C 13 21.935 0.30 . 1 . . . A 53 VAL CG1 . 19666 1 632 . 1 1 53 53 VAL CG2 C 13 18.750 0.30 . 1 . . . A 53 VAL CG2 . 19666 1 633 . 1 1 53 53 VAL N N 15 117.187 0.30 . 1 . . . A 53 VAL N . 19666 1 634 . 1 1 54 54 CYS H H 1 8.072 0.03 . 1 . . . A 54 CYS H . 19666 1 635 . 1 1 54 54 CYS HA H 1 5.012 0.03 . 1 . . . A 54 CYS HA . 19666 1 636 . 1 1 54 54 CYS HB2 H 1 3.416 0.03 . 2 . . . A 54 CYS HB2 . 19666 1 637 . 1 1 54 54 CYS HB3 H 1 2.515 0.03 . 2 . . . A 54 CYS HB3 . 19666 1 638 . 1 1 54 54 CYS C C 13 175.637 0.30 . 1 . . . A 54 CYS C . 19666 1 639 . 1 1 54 54 CYS CA C 13 55.432 0.30 . 1 . . . A 54 CYS CA . 19666 1 640 . 1 1 54 54 CYS CB C 13 40.268 0.30 . 1 . . . A 54 CYS CB . 19666 1 641 . 1 1 54 54 CYS N N 15 120.703 0.30 . 1 . . . A 54 CYS N . 19666 1 642 . 1 1 55 55 ARG H H 1 9.378 0.03 . 1 . . . A 55 ARG H . 19666 1 643 . 1 1 55 55 ARG HA H 1 4.853 0.03 . 1 . . . A 55 ARG HA . 19666 1 644 . 1 1 55 55 ARG HB2 H 1 2.087 0.03 . 2 . . . A 55 ARG HB2 . 19666 1 645 . 1 1 55 55 ARG HB3 H 1 1.681 0.03 . 2 . . . A 55 ARG HB3 . 19666 1 646 . 1 1 55 55 ARG HG2 H 1 1.707 0.03 . 2 . . . A 55 ARG HG2 . 19666 1 647 . 1 1 55 55 ARG HG3 H 1 1.640 0.03 . 2 . . . A 55 ARG HG3 . 19666 1 648 . 1 1 55 55 ARG HD2 H 1 3.202 0.03 . 2 . . . A 55 ARG HD2 . 19666 1 649 . 1 1 55 55 ARG HD3 H 1 3.097 0.03 . 2 . . . A 55 ARG HD3 . 19666 1 650 . 1 1 55 55 ARG HE H 1 7.228 0.03 . 1 . . . A 55 ARG HE . 19666 1 651 . 1 1 55 55 ARG C C 13 174.029 0.30 . 1 . . . A 55 ARG C . 19666 1 652 . 1 1 55 55 ARG CA C 13 53.194 0.30 . 1 . . . A 55 ARG CA . 19666 1 653 . 1 1 55 55 ARG CB C 13 35.049 0.30 . 1 . . . A 55 ARG CB . 19666 1 654 . 1 1 55 55 ARG CG C 13 26.416 0.30 . 1 . . . A 55 ARG CG . 19666 1 655 . 1 1 55 55 ARG CD C 13 42.802 0.30 . 1 . . . A 55 ARG CD . 19666 1 656 . 1 1 55 55 ARG N N 15 124.922 0.30 . 1 . . . A 55 ARG N . 19666 1 657 . 1 1 55 55 ARG NE N 15 83.967 0.30 . 1 . . . A 55 ARG NE . 19666 1 658 . 1 1 56 56 ASP H H 1 9.693 0.03 . 1 . . . A 56 ASP H . 19666 1 659 . 1 1 56 56 ASP HA H 1 5.244 0.03 . 1 . . . A 56 ASP HA . 19666 1 660 . 1 1 56 56 ASP HB2 H 1 2.747 0.03 . 2 . . . A 56 ASP HB2 . 19666 1 661 . 1 1 56 56 ASP HB3 H 1 2.303 0.03 . 2 . . . A 56 ASP HB3 . 19666 1 662 . 1 1 56 56 ASP C C 13 175.192 0.30 . 1 . . . A 56 ASP C . 19666 1 663 . 1 1 56 56 ASP CA C 13 53.525 0.30 . 1 . . . A 56 ASP CA . 19666 1 664 . 1 1 56 56 ASP CB C 13 39.655 0.30 . 1 . . . A 56 ASP CB . 19666 1 665 . 1 1 56 56 ASP N N 15 117.011 0.30 . 1 . . . A 56 ASP N . 19666 1 666 . 1 1 57 57 VAL H H 1 7.849 0.03 . 1 . . . A 57 VAL H . 19666 1 667 . 1 1 57 57 VAL HA H 1 4.183 0.03 . 1 . . . A 57 VAL HA . 19666 1 668 . 1 1 57 57 VAL HB H 1 2.149 0.03 . 1 . . . A 57 VAL HB . 19666 1 669 . 1 1 57 57 VAL HG11 H 1 0.735 0.03 . 2 . . . A 57 VAL HG11 . 19666 1 670 . 1 1 57 57 VAL HG12 H 1 0.735 0.03 . 2 . . . A 57 VAL HG12 . 19666 1 671 . 1 1 57 57 VAL HG13 H 1 0.735 0.03 . 2 . . . A 57 VAL HG13 . 19666 1 672 . 1 1 57 57 VAL HG21 H 1 0.872 0.03 . 2 . . . A 57 VAL HG21 . 19666 1 673 . 1 1 57 57 VAL HG22 H 1 0.872 0.03 . 2 . . . A 57 VAL HG22 . 19666 1 674 . 1 1 57 57 VAL HG23 H 1 0.872 0.03 . 2 . . . A 57 VAL HG23 . 19666 1 675 . 1 1 57 57 VAL CA C 13 62.968 0.30 . 1 . . . A 57 VAL CA . 19666 1 676 . 1 1 57 57 VAL CB C 13 33.906 0.30 . 1 . . . A 57 VAL CB . 19666 1 677 . 1 1 57 57 VAL CG1 C 13 19.844 0.30 . 1 . . . A 57 VAL CG1 . 19666 1 678 . 1 1 57 57 VAL CG2 C 13 22.188 0.30 . 1 . . . A 57 VAL CG2 . 19666 1 679 . 1 1 57 57 VAL N N 15 123.164 0.30 . 1 . . . A 57 VAL N . 19666 1 stop_ save_