data_19535 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19535 _Entry.Title ; SGTX-Sf1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-04 _Entry.Accession_date 2013-10-04 _Entry.Last_release_date 2014-10-13 _Entry.Original_release_date 2014-10-13 _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 SOLUTION _Entry.Details 'Solution structure of the insecticidal spider toxin Sf1a from Segestria florentina.' _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 Mehdi Mobli . . . 19535 2 Niraj Bende . S. . 19535 3 Glenn King . F. . 19535 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' . 19535 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Disulfide . 19535 Heteronuclear . 19535 ICK . 19535 Insecticidal . 19535 'Maximum entropy' . 19535 'Non-uniform sampling' . 19535 Spider . 19535 Toxin . 19535 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19535 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 19535 '15N chemical shifts' 49 19535 '1H chemical shifts' 291 19535 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 . . 2014-10-13 2013-10-04 original author . 19535 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID ArachnoServer AS000116 . 19535 InterPro IPR012633 . 19535 NCBI_Taxon 31925 . 19535 Pfam PF08115 . 19535 UniProt P61095 . 19535 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19535 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of SGTX1-SF1A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Mehdi Mobli . . . 19535 1 2 Niraj Bende . S. . 19535 1 3 Glenn King . F. . 19535 1 4 Herzig Volker . . . 19535 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19535 _Assembly.ID 1 _Assembly.Name SGTX-Sf1a _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 . _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 SGTX-Sf1a 1 $SF1A A . yes native no no . . . 19535 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 4 4 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 19535 1 2 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . 19535 1 3 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 19535 1 4 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 19535 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SF1A _Entity.Sf_category entity _Entity.Sf_framecode SF1A _Entity.Entry_ID 19535 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SF1A _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 ; SKECMTDGTVCYIHNHNDCC GSCLCSNGPIARPWEMMVGN CMCGPKA ; _Entity.Polymer_seq_one_letter_code ; SKECMTDGTVCYIHNHNDCC GSCLCSNGPIARPWEMMVGN CMCGPKA ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5073.909 _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 no PDB 2MF3 . Sgtx-sf1a . . . . . 100.00 47 100.00 100.00 2.92e-25 . . . . 19535 1 2 no SP P61095 . "RecName: Full=U2-segestritoxin-Sf1a; Short=U2-SGTX-Sf1a; AltName: Full=F5.6; AltName: Full=Toxin SFI 1 [Segestria florentina]" . . . . . 97.87 46 100.00 100.00 1.24e-24 . . . . 19535 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 . SER . 19535 1 2 . LYS . 19535 1 3 . GLU . 19535 1 4 . CYS . 19535 1 5 . MET . 19535 1 6 . THR . 19535 1 7 . ASP . 19535 1 8 . GLY . 19535 1 9 . THR . 19535 1 10 . VAL . 19535 1 11 . CYS . 19535 1 12 . TYR . 19535 1 13 . ILE . 19535 1 14 . HIS . 19535 1 15 . ASN . 19535 1 16 . HIS . 19535 1 17 . ASN . 19535 1 18 . ASP . 19535 1 19 . CYS . 19535 1 20 . CYS . 19535 1 21 . GLY . 19535 1 22 . SER . 19535 1 23 . CYS . 19535 1 24 . LEU . 19535 1 25 . CYS . 19535 1 26 . SER . 19535 1 27 . ASN . 19535 1 28 . GLY . 19535 1 29 . PRO . 19535 1 30 . ILE . 19535 1 31 . ALA . 19535 1 32 . ARG . 19535 1 33 . PRO . 19535 1 34 . TRP . 19535 1 35 . GLU . 19535 1 36 . MET . 19535 1 37 . MET . 19535 1 38 . VAL . 19535 1 39 . GLY . 19535 1 40 . ASN . 19535 1 41 . CYS . 19535 1 42 . MET . 19535 1 43 . CYS . 19535 1 44 . GLY . 19535 1 45 . PRO . 19535 1 46 . LYS . 19535 1 47 . ALA . 19535 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 19535 1 . LYS 2 2 19535 1 . GLU 3 3 19535 1 . CYS 4 4 19535 1 . MET 5 5 19535 1 . THR 6 6 19535 1 . ASP 7 7 19535 1 . GLY 8 8 19535 1 . THR 9 9 19535 1 . VAL 10 10 19535 1 . CYS 11 11 19535 1 . TYR 12 12 19535 1 . ILE 13 13 19535 1 . HIS 14 14 19535 1 . ASN 15 15 19535 1 . HIS 16 16 19535 1 . ASN 17 17 19535 1 . ASP 18 18 19535 1 . CYS 19 19 19535 1 . CYS 20 20 19535 1 . GLY 21 21 19535 1 . SER 22 22 19535 1 . CYS 23 23 19535 1 . LEU 24 24 19535 1 . CYS 25 25 19535 1 . SER 26 26 19535 1 . ASN 27 27 19535 1 . GLY 28 28 19535 1 . PRO 29 29 19535 1 . ILE 30 30 19535 1 . ALA 31 31 19535 1 . ARG 32 32 19535 1 . PRO 33 33 19535 1 . TRP 34 34 19535 1 . GLU 35 35 19535 1 . MET 36 36 19535 1 . MET 37 37 19535 1 . VAL 38 38 19535 1 . GLY 39 39 19535 1 . ASN 40 40 19535 1 . CYS 41 41 19535 1 . MET 42 42 19535 1 . CYS 43 43 19535 1 . GLY 44 44 19535 1 . PRO 45 45 19535 1 . LYS 46 46 19535 1 . ALA 47 47 19535 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 19535 _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 $SF1A . 31925 organism . 'Segestria florentina' 'Tube web spider' . . Eukaryota Metazoa Segestria florentina . . . . . . . . . . . . . . . . . . . . . 19535 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 19535 _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 $SF1A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pLic-C . . . 'HIS-MBP-TEV CLEAVAGE-S-TOXIN' . . 19535 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19535 _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 SF1A '[U-99% 13C; U-99% 15N]' . . 1 $SF1A . . 0.42 . . mM . . . . 19535 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19535 1 3 'Sodium citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 19535 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19535 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19535 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 19535 _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' 20 . mM 19535 1 pH 3.5 . pH 19535 1 pressure 1 . atm 19535 1 temperature 313 . K 19535 1 stop_ save_ ############################ # Computer software used # ############################ save_Rownald_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rownald_NMR_Toolkit _Software.Entry_ID 19535 _Software.ID 1 _Software.Name Rownald_NMR_Toolkit _Software.Version v3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jeffrey C. Hoch' 'University of Connecticut Health Centre' . 19535 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19535 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19535 _Software.ID 2 _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' . . 19535 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19535 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19535 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19535 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19535 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19535 _Software.ID 4 _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' . . 19535 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19535 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19535 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19535 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19535 5 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 19535 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 19535 _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 . . . 19535 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 19535 _Experiment_list.ID 1 _Experiment_list.Details 'Scalar dimensions acquired using NUS and processed using Maximum Entropy reconstruction. NOE dimensions acquired using linear sampling and processed using Linear prediction/DFT.' 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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 3 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 5 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 6 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 7 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 8 '4D HC(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 9 '2D (HB)CB(CGCC)H(ar)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 10 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19535 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19535 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19535 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced to H2O' 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 4.781 na indirect 0.251449530 . . . . . . . . . 19535 1 H 1 water protons . . . . ppm 4.781 internal direct 1.000000000 . . . . . . . . . 19535 1 N 15 water protons . . . . ppm 4.781 na indirect 0.101329118 . . . . . . . . . 19535 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 19535 _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' 1 $sample_1 . 19535 1 2 '3D CBCA(CO)NH' 1 $sample_1 . 19535 1 3 '3D HBHA(CO)NH' 1 $sample_1 . 19535 1 4 '3D HNCACB' 1 $sample_1 . 19535 1 5 '3D 1H-15N NOESY' 1 $sample_1 . 19535 1 6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19535 1 7 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19535 1 8 '4D HC(CO)NH' 1 $sample_1 . 19535 1 9 '2D (HB)CB(CGCC)H(ar)' 1 $sample_1 . 19535 1 10 '3D HNCO' 1 $sample_1 . 19535 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 4.323 0.03 . 1 . . . A 1 SER HA . 19535 1 2 . 1 1 1 1 SER HB2 H 1 4.147 0.03 . 1 . . . A 1 SER HB2 . 19535 1 3 . 1 1 1 1 SER HB3 H 1 4.147 0.03 . 1 . . . A 1 SER HB3 . 19535 1 4 . 1 1 1 1 SER C C 13 169.829 0.30 . 1 . . . A 1 SER C . 19535 1 5 . 1 1 1 1 SER CA C 13 57.700 0.30 . 1 . . . A 1 SER CA . 19535 1 6 . 1 1 1 1 SER CB C 13 63.323 0.30 . 1 . . . A 1 SER CB . 19535 1 7 . 1 1 2 2 LYS H H 1 8.776 0.03 . 1 . . . A 2 LYS H . 19535 1 8 . 1 1 2 2 LYS HA H 1 4.529 0.03 . 1 . . . A 2 LYS HA . 19535 1 9 . 1 1 2 2 LYS HB2 H 1 2.003 0.03 . 2 . . . A 2 LYS HB2 . 19535 1 10 . 1 1 2 2 LYS HB3 H 1 1.916 0.03 . 2 . . . A 2 LYS HB3 . 19535 1 11 . 1 1 2 2 LYS HG2 H 1 1.579 0.03 . 1 . . . A 2 LYS HG2 . 19535 1 12 . 1 1 2 2 LYS HG3 H 1 1.579 0.03 . 1 . . . A 2 LYS HG3 . 19535 1 13 . 1 1 2 2 LYS HD2 H 1 1.842 0.03 . 1 . . . A 2 LYS HD2 . 19535 1 14 . 1 1 2 2 LYS HD3 H 1 1.842 0.03 . 1 . . . A 2 LYS HD3 . 19535 1 15 . 1 1 2 2 LYS HE2 H 1 3.153 0.03 . 1 . . . A 2 LYS HE2 . 19535 1 16 . 1 1 2 2 LYS HE3 H 1 3.153 0.03 . 1 . . . A 2 LYS HE3 . 19535 1 17 . 1 1 2 2 LYS C C 13 175.284 0.30 . 1 . . . A 2 LYS C . 19535 1 18 . 1 1 2 2 LYS CA C 13 56.758 0.30 . 1 . . . A 2 LYS CA . 19535 1 19 . 1 1 2 2 LYS CB C 13 33.354 0.30 . 1 . . . A 2 LYS CB . 19535 1 20 . 1 1 2 2 LYS CG C 13 24.788 0.30 . 1 . . . A 2 LYS CG . 19535 1 21 . 1 1 2 2 LYS CD C 13 29.335 0.30 . 1 . . . A 2 LYS CD . 19535 1 22 . 1 1 2 2 LYS CE C 13 42.507 0.30 . 1 . . . A 2 LYS CE . 19535 1 23 . 1 1 2 2 LYS N N 15 122.024 0.30 . 1 . . . A 2 LYS N . 19535 1 24 . 1 1 3 3 GLU H H 1 8.583 0.03 . 1 . . . A 3 GLU H . 19535 1 25 . 1 1 3 3 GLU HA H 1 4.604 0.03 . 1 . . . A 3 GLU HA . 19535 1 26 . 1 1 3 3 GLU HB2 H 1 2.281 0.03 . 2 . . . A 3 GLU HB2 . 19535 1 27 . 1 1 3 3 GLU HB3 H 1 2.125 0.03 . 2 . . . A 3 GLU HB3 . 19535 1 28 . 1 1 3 3 GLU HG2 H 1 2.586 0.03 . 1 . . . A 3 GLU HG2 . 19535 1 29 . 1 1 3 3 GLU HG3 H 1 2.586 0.03 . 1 . . . A 3 GLU HG3 . 19535 1 30 . 1 1 3 3 GLU C C 13 174.367 0.30 . 1 . . . A 3 GLU C . 19535 1 31 . 1 1 3 3 GLU CA C 13 55.921 0.30 . 1 . . . A 3 GLU CA . 19535 1 32 . 1 1 3 3 GLU CB C 13 29.309 0.30 . 1 . . . A 3 GLU CB . 19535 1 33 . 1 1 3 3 GLU CG C 13 33.672 0.30 . 1 . . . A 3 GLU CG . 19535 1 34 . 1 1 3 3 GLU N N 15 122.436 0.30 . 1 . . . A 3 GLU N . 19535 1 35 . 1 1 4 4 CYS H H 1 8.165 0.03 . 1 . . . A 4 CYS H . 19535 1 36 . 1 1 4 4 CYS HA H 1 4.986 0.03 . 1 . . . A 4 CYS HA . 19535 1 37 . 1 1 4 4 CYS HB2 H 1 3.103 0.03 . 1 . . . A 4 CYS HB2 . 19535 1 38 . 1 1 4 4 CYS HB3 H 1 3.267 0.03 . 1 . . . A 4 CYS HB3 . 19535 1 39 . 1 1 4 4 CYS C C 13 172.658 0.30 . 1 . . . A 4 CYS C . 19535 1 40 . 1 1 4 4 CYS CA C 13 54.150 0.30 . 1 . . . A 4 CYS CA . 19535 1 41 . 1 1 4 4 CYS CB C 13 42.390 0.30 . 1 . . . A 4 CYS CB . 19535 1 42 . 1 1 4 4 CYS N N 15 117.664 0.30 . 1 . . . A 4 CYS N . 19535 1 43 . 1 1 5 5 MET H H 1 9.075 0.03 . 1 . . . A 5 MET H . 19535 1 44 . 1 1 5 5 MET HA H 1 4.863 0.03 . 1 . . . A 5 MET HA . 19535 1 45 . 1 1 5 5 MET HB2 H 1 2.373 0.03 . 1 . . . A 5 MET HB2 . 19535 1 46 . 1 1 5 5 MET HB3 H 1 2.195 0.03 . 1 . . . A 5 MET HB3 . 19535 1 47 . 1 1 5 5 MET HG2 H 1 2.657 0.03 . 1 . . . A 5 MET HG2 . 19535 1 48 . 1 1 5 5 MET HG3 H 1 2.834 0.03 . 1 . . . A 5 MET HG3 . 19535 1 49 . 1 1 5 5 MET HE1 H 1 2.202 0.03 . 1 . . . A 5 MET HE1 . 19535 1 50 . 1 1 5 5 MET HE2 H 1 2.202 0.03 . 1 . . . A 5 MET HE2 . 19535 1 51 . 1 1 5 5 MET HE3 H 1 2.202 0.03 . 1 . . . A 5 MET HE3 . 19535 1 52 . 1 1 5 5 MET C C 13 175.055 0.30 . 1 . . . A 5 MET C . 19535 1 53 . 1 1 5 5 MET CA C 13 55.789 0.30 . 1 . . . A 5 MET CA . 19535 1 54 . 1 1 5 5 MET CB C 13 34.599 0.30 . 1 . . . A 5 MET CB . 19535 1 55 . 1 1 5 5 MET CG C 13 31.365 0.30 . 1 . . . A 5 MET CG . 19535 1 56 . 1 1 5 5 MET CE C 13 17.402 0.30 . 1 . . . A 5 MET CE . 19535 1 57 . 1 1 5 5 MET N N 15 118.071 0.30 . 1 . . . A 5 MET N . 19535 1 58 . 1 1 6 6 THR H H 1 8.492 0.03 . 1 . . . A 6 THR H . 19535 1 59 . 1 1 6 6 THR HA H 1 4.224 0.03 . 1 . . . A 6 THR HA . 19535 1 60 . 1 1 6 6 THR HB H 1 4.459 0.03 . 1 . . . A 6 THR HB . 19535 1 61 . 1 1 6 6 THR HG21 H 1 1.460 0.03 . 1 . . . A 6 THR HG21 . 19535 1 62 . 1 1 6 6 THR HG22 H 1 1.460 0.03 . 1 . . . A 6 THR HG22 . 19535 1 63 . 1 1 6 6 THR HG23 H 1 1.460 0.03 . 1 . . . A 6 THR HG23 . 19535 1 64 . 1 1 6 6 THR C C 13 174.188 0.30 . 1 . . . A 6 THR C . 19535 1 65 . 1 1 6 6 THR CA C 13 61.777 0.30 . 1 . . . A 6 THR CA . 19535 1 66 . 1 1 6 6 THR CB C 13 70.305 0.30 . 1 . . . A 6 THR CB . 19535 1 67 . 1 1 6 6 THR CG2 C 13 22.126 0.30 . 1 . . . A 6 THR CG2 . 19535 1 68 . 1 1 6 6 THR N N 15 116.953 0.30 . 1 . . . A 6 THR N . 19535 1 69 . 1 1 7 7 ASP H H 1 8.643 0.03 . 1 . . . A 7 ASP H . 19535 1 70 . 1 1 7 7 ASP HA H 1 4.096 0.03 . 1 . . . A 7 ASP HA . 19535 1 71 . 1 1 7 7 ASP HB2 H 1 2.904 0.03 . 2 . . . A 7 ASP HB2 . 19535 1 72 . 1 1 7 7 ASP HB3 H 1 2.782 0.03 . 2 . . . A 7 ASP HB3 . 19535 1 73 . 1 1 7 7 ASP C C 13 175.284 0.30 . 1 . . . A 7 ASP C . 19535 1 74 . 1 1 7 7 ASP CA C 13 55.824 0.30 . 1 . . . A 7 ASP CA . 19535 1 75 . 1 1 7 7 ASP CB C 13 39.211 0.30 . 1 . . . A 7 ASP CB . 19535 1 76 . 1 1 7 7 ASP N N 15 123.270 0.30 . 1 . . . A 7 ASP N . 19535 1 77 . 1 1 8 8 GLY H H 1 9.329 0.03 . 1 . . . A 8 GLY H . 19535 1 78 . 1 1 8 8 GLY HA2 H 1 3.926 0.03 . 1 . . . A 8 GLY HA2 . 19535 1 79 . 1 1 8 8 GLY HA3 H 1 4.582 0.03 . 1 . . . A 8 GLY HA3 . 19535 1 80 . 1 1 8 8 GLY C C 13 173.117 0.30 . 1 . . . A 8 GLY C . 19535 1 81 . 1 1 8 8 GLY CA C 13 45.100 0.30 . 1 . . . A 8 GLY CA . 19535 1 82 . 1 1 8 8 GLY N N 15 111.423 0.30 . 1 . . . A 8 GLY N . 19535 1 83 . 1 1 9 9 THR H H 1 7.695 0.03 . 1 . . . A 9 THR H . 19535 1 84 . 1 1 9 9 THR HA H 1 4.320 0.03 . 1 . . . A 9 THR HA . 19535 1 85 . 1 1 9 9 THR HB H 1 4.035 0.03 . 1 . . . A 9 THR HB . 19535 1 86 . 1 1 9 9 THR HG21 H 1 1.609 0.03 . 1 . . . A 9 THR HG21 . 19535 1 87 . 1 1 9 9 THR HG22 H 1 1.609 0.03 . 1 . . . A 9 THR HG22 . 19535 1 88 . 1 1 9 9 THR HG23 H 1 1.609 0.03 . 1 . . . A 9 THR HG23 . 19535 1 89 . 1 1 9 9 THR C C 13 172.913 0.30 . 1 . . . A 9 THR C . 19535 1 90 . 1 1 9 9 THR CA C 13 63.312 0.30 . 1 . . . A 9 THR CA . 19535 1 91 . 1 1 9 9 THR CB C 13 70.010 0.30 . 1 . . . A 9 THR CB . 19535 1 92 . 1 1 9 9 THR CG2 C 13 22.233 0.30 . 1 . . . A 9 THR CG2 . 19535 1 93 . 1 1 9 9 THR N N 15 116.646 0.30 . 1 . . . A 9 THR N . 19535 1 94 . 1 1 10 10 VAL H H 1 8.605 0.03 . 1 . . . A 10 VAL H . 19535 1 95 . 1 1 10 10 VAL HA H 1 4.224 0.03 . 1 . . . A 10 VAL HA . 19535 1 96 . 1 1 10 10 VAL HB H 1 2.073 0.03 . 1 . . . A 10 VAL HB . 19535 1 97 . 1 1 10 10 VAL HG11 H 1 0.974 0.03 . 1 . . . A 10 VAL HG11 . 19535 1 98 . 1 1 10 10 VAL HG12 H 1 0.974 0.03 . 1 . . . A 10 VAL HG12 . 19535 1 99 . 1 1 10 10 VAL HG13 H 1 0.974 0.03 . 1 . . . A 10 VAL HG13 . 19535 1 100 . 1 1 10 10 VAL HG21 H 1 1.188 0.03 . 1 . . . A 10 VAL HG21 . 19535 1 101 . 1 1 10 10 VAL HG22 H 1 1.188 0.03 . 1 . . . A 10 VAL HG22 . 19535 1 102 . 1 1 10 10 VAL HG23 H 1 1.188 0.03 . 1 . . . A 10 VAL HG23 . 19535 1 103 . 1 1 10 10 VAL C C 13 173.194 0.30 . 1 . . . A 10 VAL C . 19535 1 104 . 1 1 10 10 VAL CA C 13 64.459 0.30 . 1 . . . A 10 VAL CA . 19535 1 105 . 1 1 10 10 VAL CB C 13 32.025 0.30 . 1 . . . A 10 VAL CB . 19535 1 106 . 1 1 10 10 VAL CG1 C 13 20.953 0.30 . 1 . . . A 10 VAL CG1 . 19535 1 107 . 1 1 10 10 VAL CG2 C 13 22.232 0.30 . 1 . . . A 10 VAL CG2 . 19535 1 108 . 1 1 10 10 VAL N N 15 127.413 0.30 . 1 . . . A 10 VAL N . 19535 1 109 . 1 1 11 11 CYS H H 1 7.743 0.03 . 1 . . . A 11 CYS H . 19535 1 110 . 1 1 11 11 CYS HA H 1 4.984 0.03 . 1 . . . A 11 CYS HA . 19535 1 111 . 1 1 11 11 CYS HB2 H 1 3.134 0.03 . 1 . . . A 11 CYS HB2 . 19535 1 112 . 1 1 11 11 CYS HB3 H 1 3.375 0.03 . 1 . . . A 11 CYS HB3 . 19535 1 113 . 1 1 11 11 CYS C C 13 169.701 0.30 . 1 . . . A 11 CYS C . 19535 1 114 . 1 1 11 11 CYS CA C 13 53.788 0.30 . 1 . . . A 11 CYS CA . 19535 1 115 . 1 1 11 11 CYS CB C 13 49.168 0.30 . 1 . . . A 11 CYS CB . 19535 1 116 . 1 1 11 11 CYS N N 15 120.712 0.30 . 1 . . . A 11 CYS N . 19535 1 117 . 1 1 12 12 TYR H H 1 8.324 0.03 . 1 . . . A 12 TYR H . 19535 1 118 . 1 1 12 12 TYR HA H 1 4.967 0.03 . 1 . . . A 12 TYR HA . 19535 1 119 . 1 1 12 12 TYR HB2 H 1 2.837 0.03 . 1 . . . A 12 TYR HB2 . 19535 1 120 . 1 1 12 12 TYR HB3 H 1 3.322 0.03 . 1 . . . A 12 TYR HB3 . 19535 1 121 . 1 1 12 12 TYR HD1 H 1 7.262 0.03 . 3 . . . A 12 TYR HD1 . 19535 1 122 . 1 1 12 12 TYR HD2 H 1 7.262 0.03 . 3 . . . A 12 TYR HD2 . 19535 1 123 . 1 1 12 12 TYR HE1 H 1 6.897 0.03 . 3 . . . A 12 TYR HE1 . 19535 1 124 . 1 1 12 12 TYR HE2 H 1 6.897 0.03 . 3 . . . A 12 TYR HE2 . 19535 1 125 . 1 1 12 12 TYR C C 13 175.577 0.30 . 1 . . . A 12 TYR C . 19535 1 126 . 1 1 12 12 TYR CA C 13 56.738 0.30 . 1 . . . A 12 TYR CA . 19535 1 127 . 1 1 12 12 TYR CB C 13 40.474 0.30 . 1 . . . A 12 TYR CB . 19535 1 128 . 1 1 12 12 TYR CD1 C 13 133.643 0.30 . 1 . . . A 12 TYR CD1 . 19535 1 129 . 1 1 12 12 TYR CE1 C 13 118.161 0.30 . 1 . . . A 12 TYR CE1 . 19535 1 130 . 1 1 12 12 TYR N N 15 117.867 0.30 . 1 . . . A 12 TYR N . 19535 1 131 . 1 1 13 13 ILE H H 1 8.502 0.03 . 1 . . . A 13 ILE H . 19535 1 132 . 1 1 13 13 ILE HA H 1 4.075 0.03 . 1 . . . A 13 ILE HA . 19535 1 133 . 1 1 13 13 ILE HB H 1 1.937 0.03 . 1 . . . A 13 ILE HB . 19535 1 134 . 1 1 13 13 ILE HG12 H 1 1.289 0.03 . 2 . . . A 13 ILE HG12 . 19535 1 135 . 1 1 13 13 ILE HG13 H 1 1.460 0.03 . 2 . . . A 13 ILE HG13 . 19535 1 136 . 1 1 13 13 ILE HG21 H 1 0.852 0.03 . 1 . . . A 13 ILE HG21 . 19535 1 137 . 1 1 13 13 ILE HG22 H 1 0.852 0.03 . 1 . . . A 13 ILE HG22 . 19535 1 138 . 1 1 13 13 ILE HG23 H 1 0.852 0.03 . 1 . . . A 13 ILE HG23 . 19535 1 139 . 1 1 13 13 ILE HD11 H 1 0.952 0.03 . 1 . . . A 13 ILE HD11 . 19535 1 140 . 1 1 13 13 ILE HD12 H 1 0.952 0.03 . 1 . . . A 13 ILE HD12 . 19535 1 141 . 1 1 13 13 ILE HD13 H 1 0.952 0.03 . 1 . . . A 13 ILE HD13 . 19535 1 142 . 1 1 13 13 ILE C C 13 175.629 0.30 . 1 . . . A 13 ILE C . 19535 1 143 . 1 1 13 13 ILE CA C 13 62.842 0.30 . 1 . . . A 13 ILE CA . 19535 1 144 . 1 1 13 13 ILE CB C 13 38.172 0.30 . 1 . . . A 13 ILE CB . 19535 1 145 . 1 1 13 13 ILE CG1 C 13 28.330 0.30 . 1 . . . A 13 ILE CG1 . 19535 1 146 . 1 1 13 13 ILE CG2 C 13 17.399 0.30 . 1 . . . A 13 ILE CG2 . 19535 1 147 . 1 1 13 13 ILE CD1 C 13 13.351 0.30 . 1 . . . A 13 ILE CD1 . 19535 1 148 . 1 1 13 13 ILE N N 15 122.840 0.30 . 1 . . . A 13 ILE N . 19535 1 149 . 1 1 14 14 HIS H H 1 8.437 0.03 . 1 . . . A 14 HIS H . 19535 1 150 . 1 1 14 14 HIS HA H 1 4.898 0.03 . 1 . . . A 14 HIS HA . 19535 1 151 . 1 1 14 14 HIS HB2 H 1 3.404 0.03 . 1 . . . A 14 HIS HB2 . 19535 1 152 . 1 1 14 14 HIS HB3 H 1 3.544 0.03 . 1 . . . A 14 HIS HB3 . 19535 1 153 . 1 1 14 14 HIS HD2 H 1 7.473 0.03 . 1 . . . A 14 HIS HD2 . 19535 1 154 . 1 1 14 14 HIS HE1 H 1 8.761 0.03 . 1 . . . A 14 HIS HE1 . 19535 1 155 . 1 1 14 14 HIS C C 13 173.219 0.30 . 1 . . . A 14 HIS C . 19535 1 156 . 1 1 14 14 HIS CA C 13 55.863 0.30 . 1 . . . A 14 HIS CA . 19535 1 157 . 1 1 14 14 HIS CB C 13 28.348 0.30 . 1 . . . A 14 HIS CB . 19535 1 158 . 1 1 14 14 HIS CD2 C 13 120.451 0.30 . 1 . . . A 14 HIS CD2 . 19535 1 159 . 1 1 14 14 HIS CE1 C 13 136.668 0.30 . 1 . . . A 14 HIS CE1 . 19535 1 160 . 1 1 14 14 HIS N N 15 117.156 0.30 . 1 . . . A 14 HIS N . 19535 1 161 . 1 1 15 15 ASN H H 1 7.934 0.03 . 1 . . . A 15 ASN H . 19535 1 162 . 1 1 15 15 ASN HA H 1 4.937 0.03 . 1 . . . A 15 ASN HA . 19535 1 163 . 1 1 15 15 ASN HB2 H 1 3.016 0.03 . 1 . . . A 15 ASN HB2 . 19535 1 164 . 1 1 15 15 ASN HB3 H 1 3.016 0.03 . 1 . . . A 15 ASN HB3 . 19535 1 165 . 1 1 15 15 ASN HD21 H 1 7.651 0.03 . 1 . . . A 15 ASN HD21 . 19535 1 166 . 1 1 15 15 ASN HD22 H 1 7.012 0.03 . 1 . . . A 15 ASN HD22 . 19535 1 167 . 1 1 15 15 ASN C C 13 174.010 0.30 . 1 . . . A 15 ASN C . 19535 1 168 . 1 1 15 15 ASN CA C 13 53.123 0.30 . 1 . . . A 15 ASN CA . 19535 1 169 . 1 1 15 15 ASN CB C 13 39.746 0.30 . 1 . . . A 15 ASN CB . 19535 1 170 . 1 1 15 15 ASN N N 15 117.243 0.30 . 1 . . . A 15 ASN N . 19535 1 171 . 1 1 15 15 ASN ND2 N 15 111.672 0.30 . 1 . . . A 15 ASN ND2 . 19535 1 172 . 1 1 16 16 HIS H H 1 8.402 0.03 . 1 . . . A 16 HIS H . 19535 1 173 . 1 1 16 16 HIS HA H 1 4.635 0.03 . 1 . . . A 16 HIS HA . 19535 1 174 . 1 1 16 16 HIS HB2 H 1 3.351 0.03 . 1 . . . A 16 HIS HB2 . 19535 1 175 . 1 1 16 16 HIS HB3 H 1 3.351 0.03 . 1 . . . A 16 HIS HB3 . 19535 1 176 . 1 1 16 16 HIS HD2 H 1 7.264 0.03 . 1 . . . A 16 HIS HD2 . 19535 1 177 . 1 1 16 16 HIS HE1 H 1 7.197 0.03 . 1 . . . A 16 HIS HE1 . 19535 1 178 . 1 1 16 16 HIS C C 13 173.449 0.30 . 1 . . . A 16 HIS C . 19535 1 179 . 1 1 16 16 HIS CA C 13 56.640 0.30 . 1 . . . A 16 HIS CA . 19535 1 180 . 1 1 16 16 HIS CB C 13 28.451 0.30 . 1 . . . A 16 HIS CB . 19535 1 181 . 1 1 16 16 HIS CD2 C 13 122.283 0.30 . 1 . . . A 16 HIS CD2 . 19535 1 182 . 1 1 16 16 HIS CE1 C 13 133.128 0.30 . 1 . . . A 16 HIS CE1 . 19535 1 183 . 1 1 16 16 HIS N N 15 118.072 0.30 . 1 . . . A 16 HIS N . 19535 1 184 . 1 1 17 17 ASN H H 1 8.567 0.03 . 1 . . . A 17 ASN H . 19535 1 185 . 1 1 17 17 ASN HA H 1 4.915 0.03 . 1 . . . A 17 ASN HA . 19535 1 186 . 1 1 17 17 ASN HB2 H 1 2.995 0.03 . 1 . . . A 17 ASN HB2 . 19535 1 187 . 1 1 17 17 ASN HB3 H 1 2.995 0.03 . 1 . . . A 17 ASN HB3 . 19535 1 188 . 1 1 17 17 ASN HD21 H 1 7.602 0.03 . 2 . . . A 17 ASN HD21 . 19535 1 189 . 1 1 17 17 ASN HD22 H 1 7.158 0.03 . 2 . . . A 17 ASN HD22 . 19535 1 190 . 1 1 17 17 ASN C C 13 173.857 0.30 . 1 . . . A 17 ASN C . 19535 1 191 . 1 1 17 17 ASN CA C 13 53.517 0.30 . 1 . . . A 17 ASN CA . 19535 1 192 . 1 1 17 17 ASN CB C 13 39.155 0.30 . 1 . . . A 17 ASN CB . 19535 1 193 . 1 1 17 17 ASN N N 15 120.144 0.30 . 1 . . . A 17 ASN N . 19535 1 194 . 1 1 17 17 ASN ND2 N 15 113.703 0.30 . 1 . . . A 17 ASN ND2 . 19535 1 195 . 1 1 18 18 ASP H H 1 8.623 0.03 . 1 . . . A 18 ASP H . 19535 1 196 . 1 1 18 18 ASP HA H 1 5.082 0.03 . 1 . . . A 18 ASP HA . 19535 1 197 . 1 1 18 18 ASP HB2 H 1 3.144 0.03 . 2 . . . A 18 ASP HB2 . 19535 1 198 . 1 1 18 18 ASP HB3 H 1 2.896 0.03 . 2 . . . A 18 ASP HB3 . 19535 1 199 . 1 1 18 18 ASP C C 13 175.565 0.30 . 1 . . . A 18 ASP C . 19535 1 200 . 1 1 18 18 ASP CA C 13 53.337 0.30 . 1 . . . A 18 ASP CA . 19535 1 201 . 1 1 18 18 ASP CB C 13 40.035 0.30 . 1 . . . A 18 ASP CB . 19535 1 202 . 1 1 18 18 ASP N N 15 121.570 0.30 . 1 . . . A 18 ASP N . 19535 1 203 . 1 1 19 19 CYS H H 1 8.370 0.03 . 1 . . . A 19 CYS H . 19535 1 204 . 1 1 19 19 CYS HA H 1 4.872 0.03 . 1 . . . A 19 CYS HA . 19535 1 205 . 1 1 19 19 CYS HB2 H 1 2.631 0.03 . 1 . . . A 19 CYS HB2 . 19535 1 206 . 1 1 19 19 CYS HB3 H 1 3.249 0.03 . 1 . . . A 19 CYS HB3 . 19535 1 207 . 1 1 19 19 CYS C C 13 174.188 0.30 . 1 . . . A 19 CYS C . 19535 1 208 . 1 1 19 19 CYS CA C 13 55.126 0.30 . 1 . . . A 19 CYS CA . 19535 1 209 . 1 1 19 19 CYS CB C 13 36.169 0.30 . 1 . . . A 19 CYS CB . 19535 1 210 . 1 1 19 19 CYS N N 15 119.788 0.30 . 1 . . . A 19 CYS N . 19535 1 211 . 1 1 20 20 CYS H H 1 9.556 0.03 . 1 . . . A 20 CYS H . 19535 1 212 . 1 1 20 20 CYS HA H 1 4.608 0.03 . 1 . . . A 20 CYS HA . 19535 1 213 . 1 1 20 20 CYS HB2 H 1 2.898 0.03 . 1 . . . A 20 CYS HB2 . 19535 1 214 . 1 1 20 20 CYS HB3 H 1 3.312 0.03 . 1 . . . A 20 CYS HB3 . 19535 1 215 . 1 1 20 20 CYS C C 13 175.514 0.30 . 1 . . . A 20 CYS C . 19535 1 216 . 1 1 20 20 CYS CA C 13 57.344 0.30 . 1 . . . A 20 CYS CA . 19535 1 217 . 1 1 20 20 CYS CB C 13 39.211 0.30 . 1 . . . A 20 CYS CB . 19535 1 218 . 1 1 20 20 CYS N N 15 123.247 0.30 . 1 . . . A 20 CYS N . 19535 1 219 . 1 1 21 21 GLY H H 1 8.968 0.03 . 1 . . . A 21 GLY H . 19535 1 220 . 1 1 21 21 GLY HA2 H 1 4.388 0.03 . 1 . . . A 21 GLY HA2 . 19535 1 221 . 1 1 21 21 GLY HA3 H 1 4.098 0.03 . 1 . . . A 21 GLY HA3 . 19535 1 222 . 1 1 21 21 GLY C C 13 171.945 0.30 . 1 . . . A 21 GLY C . 19535 1 223 . 1 1 21 21 GLY CA C 13 45.117 0.30 . 1 . . . A 21 GLY CA . 19535 1 224 . 1 1 21 21 GLY N N 15 109.083 0.30 . 1 . . . A 21 GLY N . 19535 1 225 . 1 1 22 22 SER H H 1 9.116 0.03 . 1 . . . A 22 SER H . 19535 1 226 . 1 1 22 22 SER HA H 1 4.798 0.03 . 1 . . . A 22 SER HA . 19535 1 227 . 1 1 22 22 SER HB2 H 1 3.606 0.03 . 1 . . . A 22 SER HB2 . 19535 1 228 . 1 1 22 22 SER HB3 H 1 3.830 0.03 . 1 . . . A 22 SER HB3 . 19535 1 229 . 1 1 22 22 SER C C 13 170.670 0.30 . 1 . . . A 22 SER C . 19535 1 230 . 1 1 22 22 SER CA C 13 57.668 0.30 . 1 . . . A 22 SER CA . 19535 1 231 . 1 1 22 22 SER CB C 13 66.662 0.30 . 1 . . . A 22 SER CB . 19535 1 232 . 1 1 22 22 SER N N 15 121.727 0.30 . 1 . . . A 22 SER N . 19535 1 233 . 1 1 23 23 CYS H H 1 8.848 0.03 . 1 . . . A 23 CYS H . 19535 1 234 . 1 1 23 23 CYS HA H 1 4.946 0.03 . 1 . . . A 23 CYS HA . 19535 1 235 . 1 1 23 23 CYS HB2 H 1 2.963 0.03 . 1 . . . A 23 CYS HB2 . 19535 1 236 . 1 1 23 23 CYS HB3 H 1 3.186 0.03 . 1 . . . A 23 CYS HB3 . 19535 1 237 . 1 1 23 23 CYS C C 13 171.894 0.30 . 1 . . . A 23 CYS C . 19535 1 238 . 1 1 23 23 CYS CA C 13 55.865 0.30 . 1 . . . A 23 CYS CA . 19535 1 239 . 1 1 23 23 CYS CB C 13 39.214 0.30 . 1 . . . A 23 CYS CB . 19535 1 240 . 1 1 23 23 CYS N N 15 123.558 0.30 . 1 . . . A 23 CYS N . 19535 1 241 . 1 1 24 24 LEU H H 1 8.582 0.03 . 1 . . . A 24 LEU H . 19535 1 242 . 1 1 24 24 LEU HA H 1 4.746 0.03 . 1 . . . A 24 LEU HA . 19535 1 243 . 1 1 24 24 LEU HB2 H 1 2.092 0.03 . 1 . . . A 24 LEU HB2 . 19535 1 244 . 1 1 24 24 LEU HB3 H 1 1.577 0.03 . 1 . . . A 24 LEU HB3 . 19535 1 245 . 1 1 24 24 LEU HG H 1 1.689 0.03 . 1 . . . A 24 LEU HG . 19535 1 246 . 1 1 24 24 LEU HD11 H 1 1.029 0.03 . 1 . . . A 24 LEU HD11 . 19535 1 247 . 1 1 24 24 LEU HD12 H 1 1.029 0.03 . 1 . . . A 24 LEU HD12 . 19535 1 248 . 1 1 24 24 LEU HD13 H 1 1.029 0.03 . 1 . . . A 24 LEU HD13 . 19535 1 249 . 1 1 24 24 LEU HD21 H 1 0.925 0.03 . 1 . . . A 24 LEU HD21 . 19535 1 250 . 1 1 24 24 LEU HD22 H 1 0.925 0.03 . 1 . . . A 24 LEU HD22 . 19535 1 251 . 1 1 24 24 LEU HD23 H 1 0.925 0.03 . 1 . . . A 24 LEU HD23 . 19535 1 252 . 1 1 24 24 LEU C C 13 175.871 0.30 . 1 . . . A 24 LEU C . 19535 1 253 . 1 1 24 24 LEU CA C 13 54.601 0.30 . 1 . . . A 24 LEU CA . 19535 1 254 . 1 1 24 24 LEU CB C 13 43.222 0.30 . 1 . . . A 24 LEU CB . 19535 1 255 . 1 1 24 24 LEU CG C 13 26.729 0.30 . 1 . . . A 24 LEU CG . 19535 1 256 . 1 1 24 24 LEU CD1 C 13 25.782 0.30 . 1 . . . A 24 LEU CD1 . 19535 1 257 . 1 1 24 24 LEU CD2 C 13 23.268 0.30 . 1 . . . A 24 LEU CD2 . 19535 1 258 . 1 1 24 24 LEU N N 15 131.578 0.30 . 1 . . . A 24 LEU N . 19535 1 259 . 1 1 25 25 CYS H H 1 8.832 0.03 . 1 . . . A 25 CYS H . 19535 1 260 . 1 1 25 25 CYS HA H 1 5.332 0.03 . 1 . . . A 25 CYS HA . 19535 1 261 . 1 1 25 25 CYS HB2 H 1 2.978 0.03 . 1 . . . A 25 CYS HB2 . 19535 1 262 . 1 1 25 25 CYS HB3 H 1 3.181 0.03 . 1 . . . A 25 CYS HB3 . 19535 1 263 . 1 1 25 25 CYS C C 13 173.806 0.30 . 1 . . . A 25 CYS C . 19535 1 264 . 1 1 25 25 CYS CA C 13 54.567 0.30 . 1 . . . A 25 CYS CA . 19535 1 265 . 1 1 25 25 CYS CB C 13 45.295 0.30 . 1 . . . A 25 CYS CB . 19535 1 266 . 1 1 25 25 CYS N N 15 122.657 0.30 . 1 . . . A 25 CYS N . 19535 1 267 . 1 1 26 26 SER H H 1 8.550 0.03 . 1 . . . A 26 SER H . 19535 1 268 . 1 1 26 26 SER HA H 1 4.648 0.03 . 1 . . . A 26 SER HA . 19535 1 269 . 1 1 26 26 SER HB2 H 1 4.048 0.03 . 1 . . . A 26 SER HB2 . 19535 1 270 . 1 1 26 26 SER HB3 H 1 4.048 0.03 . 1 . . . A 26 SER HB3 . 19535 1 271 . 1 1 26 26 SER C C 13 173.194 0.30 . 1 . . . A 26 SER C . 19535 1 272 . 1 1 26 26 SER CA C 13 58.458 0.30 . 1 . . . A 26 SER CA . 19535 1 273 . 1 1 26 26 SER CB C 13 64.218 0.30 . 1 . . . A 26 SER CB . 19535 1 274 . 1 1 26 26 SER N N 15 117.664 0.30 . 1 . . . A 26 SER N . 19535 1 275 . 1 1 27 27 ASN H H 1 8.663 0.03 . 1 . . . A 27 ASN H . 19535 1 276 . 1 1 27 27 ASN HA H 1 4.954 0.03 . 1 . . . A 27 ASN HA . 19535 1 277 . 1 1 27 27 ASN HB2 H 1 2.991 0.03 . 2 . . . A 27 ASN HB2 . 19535 1 278 . 1 1 27 27 ASN HB3 H 1 2.889 0.03 . 2 . . . A 27 ASN HB3 . 19535 1 279 . 1 1 27 27 ASN HD21 H 1 7.605 0.03 . 2 . . . A 27 ASN HD21 . 19535 1 280 . 1 1 27 27 ASN HD22 H 1 6.959 0.03 . 2 . . . A 27 ASN HD22 . 19535 1 281 . 1 1 27 27 ASN C C 13 174.341 0.30 . 1 . . . A 27 ASN C . 19535 1 282 . 1 1 27 27 ASN CA C 13 53.498 0.30 . 1 . . . A 27 ASN CA . 19535 1 283 . 1 1 27 27 ASN CB C 13 39.401 0.30 . 1 . . . A 27 ASN CB . 19535 1 284 . 1 1 27 27 ASN N N 15 120.609 0.30 . 1 . . . A 27 ASN N . 19535 1 285 . 1 1 27 27 ASN ND2 N 15 112.281 0.30 . 1 . . . A 27 ASN ND2 . 19535 1 286 . 1 1 28 28 GLY H H 1 8.232 0.03 . 1 . . . A 28 GLY H . 19535 1 287 . 1 1 28 28 GLY HA2 H 1 4.203 0.03 . 1 . . . A 28 GLY HA2 . 19535 1 288 . 1 1 28 28 GLY HA3 H 1 4.203 0.03 . 1 . . . A 28 GLY HA3 . 19535 1 289 . 1 1 28 28 GLY CA C 13 45.293 0.30 . 1 . . . A 28 GLY CA . 19535 1 290 . 1 1 28 28 GLY N N 15 109.128 0.30 . 1 . . . A 28 GLY N . 19535 1 291 . 1 1 29 29 PRO HA H 1 4.573 0.03 . 1 . . . A 29 PRO HA . 19535 1 292 . 1 1 29 29 PRO HB2 H 1 2.371 0.03 . 2 . . . A 29 PRO HB2 . 19535 1 293 . 1 1 29 29 PRO HB3 H 1 2.052 0.03 . 2 . . . A 29 PRO HB3 . 19535 1 294 . 1 1 29 29 PRO HG2 H 1 2.141 0.03 . 1 . . . A 29 PRO HG2 . 19535 1 295 . 1 1 29 29 PRO HG3 H 1 2.141 0.03 . 1 . . . A 29 PRO HG3 . 19535 1 296 . 1 1 29 29 PRO HD2 H 1 3.746 0.03 . 1 . . . A 29 PRO HD2 . 19535 1 297 . 1 1 29 29 PRO HD3 H 1 3.746 0.03 . 1 . . . A 29 PRO HD3 . 19535 1 298 . 1 1 29 29 PRO C C 13 176.100 0.30 . 1 . . . A 29 PRO C . 19535 1 299 . 1 1 29 29 PRO CA C 13 63.446 0.30 . 1 . . . A 29 PRO CA . 19535 1 300 . 1 1 29 29 PRO CB C 13 32.141 0.30 . 1 . . . A 29 PRO CB . 19535 1 301 . 1 1 29 29 PRO CG C 13 27.294 0.30 . 1 . . . A 29 PRO CG . 19535 1 302 . 1 1 29 29 PRO CD C 13 50.027 0.30 . 1 . . . A 29 PRO CD . 19535 1 303 . 1 1 30 30 ILE H H 1 8.059 0.03 . 1 . . . A 30 ILE H . 19535 1 304 . 1 1 30 30 ILE HA H 1 4.258 0.03 . 1 . . . A 30 ILE HA . 19535 1 305 . 1 1 30 30 ILE HB H 1 1.969 0.03 . 1 . . . A 30 ILE HB . 19535 1 306 . 1 1 30 30 ILE HG12 H 1 1.293 0.03 . 2 . . . A 30 ILE HG12 . 19535 1 307 . 1 1 30 30 ILE HG13 H 1 1.584 0.03 . 2 . . . A 30 ILE HG13 . 19535 1 308 . 1 1 30 30 ILE HG21 H 1 1.002 0.03 . 1 . . . A 30 ILE HG21 . 19535 1 309 . 1 1 30 30 ILE HG22 H 1 1.002 0.03 . 1 . . . A 30 ILE HG22 . 19535 1 310 . 1 1 30 30 ILE HG23 H 1 1.002 0.03 . 1 . . . A 30 ILE HG23 . 19535 1 311 . 1 1 30 30 ILE HD11 H 1 0.970 0.03 . 1 . . . A 30 ILE HD11 . 19535 1 312 . 1 1 30 30 ILE HD12 H 1 0.970 0.03 . 1 . . . A 30 ILE HD12 . 19535 1 313 . 1 1 30 30 ILE HD13 H 1 0.970 0.03 . 1 . . . A 30 ILE HD13 . 19535 1 314 . 1 1 30 30 ILE C C 13 174.928 0.30 . 1 . . . A 30 ILE C . 19535 1 315 . 1 1 30 30 ILE CA C 13 61.164 0.30 . 1 . . . A 30 ILE CA . 19535 1 316 . 1 1 30 30 ILE CB C 13 39.008 0.30 . 1 . . . A 30 ILE CB . 19535 1 317 . 1 1 30 30 ILE CG1 C 13 27.550 0.30 . 1 . . . A 30 ILE CG1 . 19535 1 318 . 1 1 30 30 ILE CG2 C 13 17.740 0.30 . 1 . . . A 30 ILE CG2 . 19535 1 319 . 1 1 30 30 ILE CD1 C 13 13.120 0.30 . 1 . . . A 30 ILE CD1 . 19535 1 320 . 1 1 30 30 ILE N N 15 120.101 0.30 . 1 . . . A 30 ILE N . 19535 1 321 . 1 1 31 31 ALA H H 1 8.303 0.03 . 1 . . . A 31 ALA H . 19535 1 322 . 1 1 31 31 ALA HA H 1 4.432 0.03 . 1 . . . A 31 ALA HA . 19535 1 323 . 1 1 31 31 ALA HB1 H 1 1.488 0.03 . 1 . . . A 31 ALA HB1 . 19535 1 324 . 1 1 31 31 ALA HB2 H 1 1.488 0.03 . 1 . . . A 31 ALA HB2 . 19535 1 325 . 1 1 31 31 ALA HB3 H 1 1.488 0.03 . 1 . . . A 31 ALA HB3 . 19535 1 326 . 1 1 31 31 ALA C C 13 176.355 0.30 . 1 . . . A 31 ALA C . 19535 1 327 . 1 1 31 31 ALA CA C 13 52.896 0.30 . 1 . . . A 31 ALA CA . 19535 1 328 . 1 1 31 31 ALA CB C 13 19.465 0.30 . 1 . . . A 31 ALA CB . 19535 1 329 . 1 1 31 31 ALA N N 15 127.003 0.30 . 1 . . . A 31 ALA N . 19535 1 330 . 1 1 32 32 ARG H H 1 7.910 0.03 . 1 . . . A 32 ARG H . 19535 1 331 . 1 1 32 32 ARG HA H 1 4.479 0.03 . 1 . . . A 32 ARG HA . 19535 1 332 . 1 1 32 32 ARG HB2 H 1 1.449 0.03 . 2 . . . A 32 ARG HB2 . 19535 1 333 . 1 1 32 32 ARG HB3 H 1 1.242 0.03 . 2 . . . A 32 ARG HB3 . 19535 1 334 . 1 1 32 32 ARG HG2 H 1 1.645 0.03 . 1 . . . A 32 ARG HG2 . 19535 1 335 . 1 1 32 32 ARG HG3 H 1 1.645 0.03 . 1 . . . A 32 ARG HG3 . 19535 1 336 . 1 1 32 32 ARG HD2 H 1 3.316 0.03 . 1 . . . A 32 ARG HD2 . 19535 1 337 . 1 1 32 32 ARG HD3 H 1 3.316 0.03 . 1 . . . A 32 ARG HD3 . 19535 1 338 . 1 1 32 32 ARG HE H 1 7.313 0.03 . 1 . . . A 32 ARG HE . 19535 1 339 . 1 1 32 32 ARG CA C 13 53.593 0.30 . 1 . . . A 32 ARG CA . 19535 1 340 . 1 1 32 32 ARG CB C 13 30.351 0.30 . 1 . . . A 32 ARG CB . 19535 1 341 . 1 1 32 32 ARG CG C 13 27.031 0.30 . 1 . . . A 32 ARG CG . 19535 1 342 . 1 1 32 32 ARG CD C 13 43.632 0.30 . 1 . . . A 32 ARG CD . 19535 1 343 . 1 1 32 32 ARG N N 15 118.980 0.30 . 1 . . . A 32 ARG N . 19535 1 344 . 1 1 32 32 ARG NE N 15 84.859 0.30 . 1 . . . A 32 ARG NE . 19535 1 345 . 1 1 33 33 PRO HA H 1 4.389 0.03 . 1 . . . A 33 PRO HA . 19535 1 346 . 1 1 33 33 PRO HB2 H 1 2.022 0.03 . 1 . . . A 33 PRO HB2 . 19535 1 347 . 1 1 33 33 PRO HB3 H 1 2.371 0.03 . 1 . . . A 33 PRO HB3 . 19535 1 348 . 1 1 33 33 PRO HG2 H 1 2.140 0.03 . 1 . . . A 33 PRO HG2 . 19535 1 349 . 1 1 33 33 PRO HG3 H 1 2.140 0.03 . 1 . . . A 33 PRO HG3 . 19535 1 350 . 1 1 33 33 PRO HD2 H 1 3.613 0.03 . 2 . . . A 33 PRO HD2 . 19535 1 351 . 1 1 33 33 PRO HD3 H 1 3.751 0.03 . 2 . . . A 33 PRO HD3 . 19535 1 352 . 1 1 33 33 PRO C C 13 175.947 0.30 . 1 . . . A 33 PRO C . 19535 1 353 . 1 1 33 33 PRO CA C 13 64.559 0.30 . 1 . . . A 33 PRO CA . 19535 1 354 . 1 1 33 33 PRO CB C 13 31.935 0.30 . 1 . . . A 33 PRO CB . 19535 1 355 . 1 1 33 33 PRO CG C 13 27.031 0.30 . 1 . . . A 33 PRO CG . 19535 1 356 . 1 1 33 33 PRO CD C 13 50.672 0.30 . 1 . . . A 33 PRO CD . 19535 1 357 . 1 1 34 34 TRP H H 1 7.479 0.03 . 1 . . . A 34 TRP H . 19535 1 358 . 1 1 34 34 TRP HA H 1 4.770 0.03 . 1 . . . A 34 TRP HA . 19535 1 359 . 1 1 34 34 TRP HB2 H 1 3.469 0.03 . 1 . . . A 34 TRP HB2 . 19535 1 360 . 1 1 34 34 TRP HB3 H 1 3.544 0.03 . 1 . . . A 34 TRP HB3 . 19535 1 361 . 1 1 34 34 TRP HD1 H 1 7.390 0.03 . 1 . . . A 34 TRP HD1 . 19535 1 362 . 1 1 34 34 TRP HE1 H 1 10.385 0.03 . 1 . . . A 34 TRP HE1 . 19535 1 363 . 1 1 34 34 TRP HE3 H 1 7.762 0.03 . 1 . . . A 34 TRP HE3 . 19535 1 364 . 1 1 34 34 TRP HZ2 H 1 7.651 0.03 . 1 . . . A 34 TRP HZ2 . 19535 1 365 . 1 1 34 34 TRP HZ3 H 1 7.357 0.03 . 1 . . . A 34 TRP HZ3 . 19535 1 366 . 1 1 34 34 TRP HH2 H 1 7.420 0.03 . 1 . . . A 34 TRP HH2 . 19535 1 367 . 1 1 34 34 TRP C C 13 175.488 0.30 . 1 . . . A 34 TRP C . 19535 1 368 . 1 1 34 34 TRP CA C 13 57.887 0.30 . 1 . . . A 34 TRP CA . 19535 1 369 . 1 1 34 34 TRP CB C 13 28.588 0.30 . 1 . . . A 34 TRP CB . 19535 1 370 . 1 1 34 34 TRP CD1 C 13 127.499 0.30 . 1 . . . A 34 TRP CD1 . 19535 1 371 . 1 1 34 34 TRP CE3 C 13 120.663 0.30 . 1 . . . A 34 TRP CE3 . 19535 1 372 . 1 1 34 34 TRP CZ2 C 13 115.003 0.30 . 1 . . . A 34 TRP CZ2 . 19535 1 373 . 1 1 34 34 TRP CZ3 C 13 122.544 0.30 . 1 . . . A 34 TRP CZ3 . 19535 1 374 . 1 1 34 34 TRP CH2 C 13 125.040 0.30 . 1 . . . A 34 TRP CH2 . 19535 1 375 . 1 1 34 34 TRP N N 15 116.547 0.30 . 1 . . . A 34 TRP N . 19535 1 376 . 1 1 34 34 TRP NE1 N 15 130.359 0.30 . 1 . . . A 34 TRP NE1 . 19535 1 377 . 1 1 35 35 GLU H H 1 7.817 0.03 . 1 . . . A 35 GLU H . 19535 1 378 . 1 1 35 35 GLU HA H 1 4.382 0.03 . 1 . . . A 35 GLU HA . 19535 1 379 . 1 1 35 35 GLU HB2 H 1 2.135 0.03 . 2 . . . A 35 GLU HB2 . 19535 1 380 . 1 1 35 35 GLU HB3 H 1 1.960 0.03 . 2 . . . A 35 GLU HB3 . 19535 1 381 . 1 1 35 35 GLU HG2 H 1 2.187 0.03 . 2 . . . A 35 GLU HG2 . 19535 1 382 . 1 1 35 35 GLU HG3 H 1 2.331 0.03 . 2 . . . A 35 GLU HG3 . 19535 1 383 . 1 1 35 35 GLU C C 13 174.902 0.30 . 1 . . . A 35 GLU C . 19535 1 384 . 1 1 35 35 GLU CA C 13 56.567 0.30 . 1 . . . A 35 GLU CA . 19535 1 385 . 1 1 35 35 GLU CB C 13 29.320 0.30 . 1 . . . A 35 GLU CB . 19535 1 386 . 1 1 35 35 GLU CG C 13 33.897 0.30 . 1 . . . A 35 GLU CG . 19535 1 387 . 1 1 35 35 GLU N N 15 120.618 0.30 . 1 . . . A 35 GLU N . 19535 1 388 . 1 1 36 36 MET H H 1 8.132 0.03 . 1 . . . A 36 MET H . 19535 1 389 . 1 1 36 36 MET HA H 1 4.535 0.03 . 1 . . . A 36 MET HA . 19535 1 390 . 1 1 36 36 MET HB2 H 1 2.232 0.03 . 2 . . . A 36 MET HB2 . 19535 1 391 . 1 1 36 36 MET HB3 H 1 2.142 0.03 . 2 . . . A 36 MET HB3 . 19535 1 392 . 1 1 36 36 MET HG2 H 1 2.718 0.03 . 2 . . . A 36 MET HG2 . 19535 1 393 . 1 1 36 36 MET HG3 H 1 2.645 0.03 . 2 . . . A 36 MET HG3 . 19535 1 394 . 1 1 36 36 MET HE1 H 1 2.191 0.03 . 1 . . . A 36 MET HE1 . 19535 1 395 . 1 1 36 36 MET HE2 H 1 2.191 0.03 . 1 . . . A 36 MET HE2 . 19535 1 396 . 1 1 36 36 MET HE3 H 1 2.191 0.03 . 1 . . . A 36 MET HE3 . 19535 1 397 . 1 1 36 36 MET C C 13 175.182 0.30 . 1 . . . A 36 MET C . 19535 1 398 . 1 1 36 36 MET CA C 13 56.026 0.30 . 1 . . . A 36 MET CA . 19535 1 399 . 1 1 36 36 MET CB C 13 33.032 0.30 . 1 . . . A 36 MET CB . 19535 1 400 . 1 1 36 36 MET CG C 13 32.344 0.30 . 1 . . . A 36 MET CG . 19535 1 401 . 1 1 36 36 MET CE C 13 17.402 0.30 . 1 . . . A 36 MET CE . 19535 1 402 . 1 1 36 36 MET N N 15 119.553 0.30 . 1 . . . A 36 MET N . 19535 1 403 . 1 1 37 37 MET H H 1 8.289 0.03 . 1 . . . A 37 MET H . 19535 1 404 . 1 1 37 37 MET HA H 1 4.629 0.03 . 1 . . . A 37 MET HA . 19535 1 405 . 1 1 37 37 MET HB2 H 1 2.254 0.03 . 2 . . . A 37 MET HB2 . 19535 1 406 . 1 1 37 37 MET HB3 H 1 2.165 0.03 . 2 . . . A 37 MET HB3 . 19535 1 407 . 1 1 37 37 MET HG2 H 1 2.711 0.03 . 2 . . . A 37 MET HG2 . 19535 1 408 . 1 1 37 37 MET HG3 H 1 2.645 0.03 . 2 . . . A 37 MET HG3 . 19535 1 409 . 1 1 37 37 MET HE1 H 1 2.195 0.03 . 1 . . . A 37 MET HE1 . 19535 1 410 . 1 1 37 37 MET HE2 H 1 2.195 0.03 . 1 . . . A 37 MET HE2 . 19535 1 411 . 1 1 37 37 MET HE3 H 1 2.195 0.03 . 1 . . . A 37 MET HE3 . 19535 1 412 . 1 1 37 37 MET C C 13 175.081 0.30 . 1 . . . A 37 MET C . 19535 1 413 . 1 1 37 37 MET CA C 13 56.043 0.30 . 1 . . . A 37 MET CA . 19535 1 414 . 1 1 37 37 MET CB C 13 33.041 0.30 . 1 . . . A 37 MET CB . 19535 1 415 . 1 1 37 37 MET CG C 13 32.344 0.30 . 1 . . . A 37 MET CG . 19535 1 416 . 1 1 37 37 MET CE C 13 17.402 0.30 . 1 . . . A 37 MET CE . 19535 1 417 . 1 1 37 37 MET N N 15 120.609 0.30 . 1 . . . A 37 MET N . 19535 1 418 . 1 1 38 38 VAL H H 1 8.054 0.03 . 1 . . . A 38 VAL H . 19535 1 419 . 1 1 38 38 VAL HA H 1 4.338 0.03 . 1 . . . A 38 VAL HA . 19535 1 420 . 1 1 38 38 VAL HB H 1 2.250 0.03 . 1 . . . A 38 VAL HB . 19535 1 421 . 1 1 38 38 VAL HG11 H 1 1.076 0.03 . 2 . . . A 38 VAL HG11 . 19535 1 422 . 1 1 38 38 VAL HG12 H 1 1.076 0.03 . 2 . . . A 38 VAL HG12 . 19535 1 423 . 1 1 38 38 VAL HG13 H 1 1.076 0.03 . 2 . . . A 38 VAL HG13 . 19535 1 424 . 1 1 38 38 VAL HG21 H 1 1.078 0.03 . 2 . . . A 38 VAL HG21 . 19535 1 425 . 1 1 38 38 VAL HG22 H 1 1.078 0.03 . 2 . . . A 38 VAL HG22 . 19535 1 426 . 1 1 38 38 VAL HG23 H 1 1.078 0.03 . 2 . . . A 38 VAL HG23 . 19535 1 427 . 1 1 38 38 VAL C C 13 175.335 0.30 . 1 . . . A 38 VAL C . 19535 1 428 . 1 1 38 38 VAL CA C 13 62.647 0.30 . 1 . . . A 38 VAL CA . 19535 1 429 . 1 1 38 38 VAL CB C 13 32.887 0.30 . 1 . . . A 38 VAL CB . 19535 1 430 . 1 1 38 38 VAL CG1 C 13 21.056 0.30 . 1 . . . A 38 VAL CG1 . 19535 1 431 . 1 1 38 38 VAL CG2 C 13 20.404 0.30 . 1 . . . A 38 VAL CG2 . 19535 1 432 . 1 1 38 38 VAL N N 15 119.594 0.30 . 1 . . . A 38 VAL N . 19535 1 433 . 1 1 39 39 GLY H H 1 8.329 0.03 . 1 . . . A 39 GLY H . 19535 1 434 . 1 1 39 39 GLY HA2 H 1 4.167 0.03 . 2 . . . A 39 GLY HA2 . 19535 1 435 . 1 1 39 39 GLY HA3 H 1 4.116 0.03 . 2 . . . A 39 GLY HA3 . 19535 1 436 . 1 1 39 39 GLY C C 13 172.429 0.30 . 1 . . . A 39 GLY C . 19535 1 437 . 1 1 39 39 GLY CA C 13 45.473 0.30 . 1 . . . A 39 GLY CA . 19535 1 438 . 1 1 39 39 GLY N N 15 111.351 0.30 . 1 . . . A 39 GLY N . 19535 1 439 . 1 1 40 40 ASN H H 1 8.359 0.03 . 1 . . . A 40 ASN H . 19535 1 440 . 1 1 40 40 ASN HA H 1 4.945 0.03 . 1 . . . A 40 ASN HA . 19535 1 441 . 1 1 40 40 ASN HB2 H 1 3.007 0.03 . 2 . . . A 40 ASN HB2 . 19535 1 442 . 1 1 40 40 ASN HB3 H 1 2.902 0.03 . 2 . . . A 40 ASN HB3 . 19535 1 443 . 1 1 40 40 ASN HD21 H 1 7.602 0.03 . 2 . . . A 40 ASN HD21 . 19535 1 444 . 1 1 40 40 ASN HD22 H 1 6.985 0.03 . 2 . . . A 40 ASN HD22 . 19535 1 445 . 1 1 40 40 ASN C C 13 173.984 0.30 . 1 . . . A 40 ASN C . 19535 1 446 . 1 1 40 40 ASN CA C 13 53.754 0.30 . 1 . . . A 40 ASN CA . 19535 1 447 . 1 1 40 40 ASN CB C 13 39.972 0.30 . 1 . . . A 40 ASN CB . 19535 1 448 . 1 1 40 40 ASN N N 15 118.075 0.30 . 1 . . . A 40 ASN N . 19535 1 449 . 1 1 40 40 ASN ND2 N 15 112.484 0.30 . 1 . . . A 40 ASN ND2 . 19535 1 450 . 1 1 41 41 CYS H H 1 8.653 0.03 . 1 . . . A 41 CYS H . 19535 1 451 . 1 1 41 41 CYS HA H 1 5.538 0.03 . 1 . . . A 41 CYS HA . 19535 1 452 . 1 1 41 41 CYS HB2 H 1 3.621 0.03 . 1 . . . A 41 CYS HB2 . 19535 1 453 . 1 1 41 41 CYS HB3 H 1 2.768 0.03 . 1 . . . A 41 CYS HB3 . 19535 1 454 . 1 1 41 41 CYS C C 13 172.689 0.30 . 1 . . . A 41 CYS C . 19535 1 455 . 1 1 41 41 CYS CA C 13 56.317 0.30 . 1 . . . A 41 CYS CA . 19535 1 456 . 1 1 41 41 CYS CB C 13 48.409 0.30 . 1 . . . A 41 CYS CB . 19535 1 457 . 1 1 41 41 CYS N N 15 120.609 0.30 . 1 . . . A 41 CYS N . 19535 1 458 . 1 1 42 42 MET H H 1 8.967 0.03 . 1 . . . A 42 MET H . 19535 1 459 . 1 1 42 42 MET HA H 1 5.164 0.03 . 1 . . . A 42 MET HA . 19535 1 460 . 1 1 42 42 MET HB2 H 1 1.901 0.03 . 1 . . . A 42 MET HB2 . 19535 1 461 . 1 1 42 42 MET HB3 H 1 1.941 0.03 . 1 . . . A 42 MET HB3 . 19535 1 462 . 1 1 42 42 MET HG2 H 1 2.447 0.03 . 2 . . . A 42 MET HG2 . 19535 1 463 . 1 1 42 42 MET HG3 H 1 2.538 0.03 . 2 . . . A 42 MET HG3 . 19535 1 464 . 1 1 42 42 MET HE1 H 1 2.179 0.03 . 1 . . . A 42 MET HE1 . 19535 1 465 . 1 1 42 42 MET HE2 H 1 2.179 0.03 . 1 . . . A 42 MET HE2 . 19535 1 466 . 1 1 42 42 MET HE3 H 1 2.179 0.03 . 1 . . . A 42 MET HE3 . 19535 1 467 . 1 1 42 42 MET C C 13 175.208 0.30 . 1 . . . A 42 MET C . 19535 1 468 . 1 1 42 42 MET CA C 13 54.853 0.30 . 1 . . . A 42 MET CA . 19535 1 469 . 1 1 42 42 MET CB C 13 37.960 0.30 . 1 . . . A 42 MET CB . 19535 1 470 . 1 1 42 42 MET CG C 13 31.882 0.30 . 1 . . . A 42 MET CG . 19535 1 471 . 1 1 42 42 MET CE C 13 17.402 0.30 . 1 . . . A 42 MET CE . 19535 1 472 . 1 1 42 42 MET N N 15 120.998 0.30 . 1 . . . A 42 MET N . 19535 1 473 . 1 1 43 43 CYS H H 1 9.478 0.03 . 1 . . . A 43 CYS H . 19535 1 474 . 1 1 43 43 CYS HA H 1 5.505 0.03 . 1 . . . A 43 CYS HA . 19535 1 475 . 1 1 43 43 CYS HB2 H 1 2.885 0.03 . 1 . . . A 43 CYS HB2 . 19535 1 476 . 1 1 43 43 CYS HB3 H 1 4.036 0.03 . 1 . . . A 43 CYS HB3 . 19535 1 477 . 1 1 43 43 CYS C C 13 175.820 0.30 . 1 . . . A 43 CYS C . 19535 1 478 . 1 1 43 43 CYS CA C 13 53.494 0.30 . 1 . . . A 43 CYS CA . 19535 1 479 . 1 1 43 43 CYS CB C 13 35.707 0.30 . 1 . . . A 43 CYS CB . 19535 1 480 . 1 1 43 43 CYS N N 15 122.297 0.30 . 1 . . . A 43 CYS N . 19535 1 481 . 1 1 44 44 GLY H H 1 9.712 0.03 . 1 . . . A 44 GLY H . 19535 1 482 . 1 1 44 44 GLY HA2 H 1 4.474 0.03 . 1 . . . A 44 GLY HA2 . 19535 1 483 . 1 1 44 44 GLY HA3 H 1 4.024 0.03 . 1 . . . A 44 GLY HA3 . 19535 1 484 . 1 1 44 44 GLY CA C 13 45.625 0.30 . 1 . . . A 44 GLY CA . 19535 1 485 . 1 1 44 44 GLY N N 15 114.932 0.30 . 1 . . . A 44 GLY N . 19535 1 486 . 1 1 45 45 PRO HA H 1 4.616 0.03 . 1 . . . A 45 PRO HA . 19535 1 487 . 1 1 45 45 PRO HB2 H 1 2.478 0.03 . 2 . . . A 45 PRO HB2 . 19535 1 488 . 1 1 45 45 PRO HB3 H 1 2.000 0.03 . 2 . . . A 45 PRO HB3 . 19535 1 489 . 1 1 45 45 PRO HG2 H 1 2.147 0.03 . 1 . . . A 45 PRO HG2 . 19535 1 490 . 1 1 45 45 PRO HG3 H 1 2.147 0.03 . 1 . . . A 45 PRO HG3 . 19535 1 491 . 1 1 45 45 PRO HD2 H 1 3.611 0.03 . 1 . . . A 45 PRO HD2 . 19535 1 492 . 1 1 45 45 PRO HD3 H 1 3.611 0.03 . 1 . . . A 45 PRO HD3 . 19535 1 493 . 1 1 45 45 PRO C C 13 175.386 0.30 . 1 . . . A 45 PRO C . 19535 1 494 . 1 1 45 45 PRO CA C 13 62.940 0.30 . 1 . . . A 45 PRO CA . 19535 1 495 . 1 1 45 45 PRO CB C 13 32.225 0.30 . 1 . . . A 45 PRO CB . 19535 1 496 . 1 1 45 45 PRO CG C 13 27.031 0.30 . 1 . . . A 45 PRO CG . 19535 1 497 . 1 1 45 45 PRO CD C 13 49.667 0.30 . 1 . . . A 45 PRO CD . 19535 1 498 . 1 1 46 46 LYS H H 1 8.421 0.03 . 1 . . . A 46 LYS H . 19535 1 499 . 1 1 46 46 LYS HA H 1 4.278 0.03 . 1 . . . A 46 LYS HA . 19535 1 500 . 1 1 46 46 LYS HB2 H 1 1.924 0.03 . 2 . . . A 46 LYS HB2 . 19535 1 501 . 1 1 46 46 LYS HB3 H 1 1.816 0.03 . 2 . . . A 46 LYS HB3 . 19535 1 502 . 1 1 46 46 LYS HG2 H 1 1.584 0.03 . 1 . . . A 46 LYS HG2 . 19535 1 503 . 1 1 46 46 LYS HG3 H 1 1.584 0.03 . 1 . . . A 46 LYS HG3 . 19535 1 504 . 1 1 46 46 LYS HD2 H 1 1.594 0.03 . 1 . . . A 46 LYS HD2 . 19535 1 505 . 1 1 46 46 LYS HD3 H 1 1.594 0.03 . 1 . . . A 46 LYS HD3 . 19535 1 506 . 1 1 46 46 LYS HE2 H 1 3.172 0.03 . 1 . . . A 46 LYS HE2 . 19535 1 507 . 1 1 46 46 LYS HE3 H 1 3.172 0.03 . 1 . . . A 46 LYS HE3 . 19535 1 508 . 1 1 46 46 LYS C C 13 174.902 0.30 . 1 . . . A 46 LYS C . 19535 1 509 . 1 1 46 46 LYS CA C 13 56.807 0.30 . 1 . . . A 46 LYS CA . 19535 1 510 . 1 1 46 46 LYS CB C 13 33.533 0.30 . 1 . . . A 46 LYS CB . 19535 1 511 . 1 1 46 46 LYS CG C 13 24.781 0.30 . 1 . . . A 46 LYS CG . 19535 1 512 . 1 1 46 46 LYS CD C 13 29.374 0.30 . 1 . . . A 46 LYS CD . 19535 1 513 . 1 1 46 46 LYS CE C 13 42.519 0.30 . 1 . . . A 46 LYS CE . 19535 1 514 . 1 1 46 46 LYS N N 15 121.021 0.30 . 1 . . . A 46 LYS N . 19535 1 515 . 1 1 47 47 ALA H H 1 8.289 0.03 . 1 . . . A 47 ALA H . 19535 1 516 . 1 1 47 47 ALA HA H 1 4.378 0.03 . 1 . . . A 47 ALA HA . 19535 1 517 . 1 1 47 47 ALA HB1 H 1 1.494 0.03 . 1 . . . A 47 ALA HB1 . 19535 1 518 . 1 1 47 47 ALA HB2 H 1 1.494 0.03 . 1 . . . A 47 ALA HB2 . 19535 1 519 . 1 1 47 47 ALA HB3 H 1 1.494 0.03 . 1 . . . A 47 ALA HB3 . 19535 1 520 . 1 1 47 47 ALA CA C 13 52.929 0.30 . 1 . . . A 47 ALA CA . 19535 1 521 . 1 1 47 47 ALA CB C 13 19.727 0.30 . 1 . . . A 47 ALA CB . 19535 1 522 . 1 1 47 47 ALA N N 15 130.659 0.30 . 1 . . . A 47 ALA N . 19535 1 stop_ save_