data_34844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34844 _Entry.Title ; Characterization of the zinc finger u-protein HVO_0758 from Haloferax volcanii: biological roles, zinc binding, and NMR solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-08 _Entry.Accession_date 2023-08-08 _Entry.Last_release_date 2023-11-15 _Entry.Original_release_date 2023-11-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 D. Pyper D. J. . . 34844 2 H. Schwalbe H. . . . 34844 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 34844 zinc-finger . 34844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 34844 '15N chemical shifts' 54 34844 '1H chemical shifts' 373 34844 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 . . 2023-12-19 . original BMRB . 34844 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8Q5B 'BMRB Entry Tracking System' 34844 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34844 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38094630 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Characterization of the zinc finger mu-protein HVO_0758 from Haloferax volcanii: biological roles, zinc binding, and NMR solution structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Microbiol.' _Citation.Journal_name_full 'Frontiers in microbiology' _Citation.Journal_volume 14 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1664-302X _Citation.Journal_CSD 0353 _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 1280972 _Citation.Page_last 1280972 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Ueresin D. . . . 34844 1 2 D. Pyper D. J. . . 34844 1 3 A. Borst A. . . . 34844 1 4 L. Hadjeras L. . . . 34844 1 5 R. Gelhausen R. . . . 34844 1 6 R. Backofen R. . . . 34844 1 7 C. Sharma C. . . . 34844 1 8 H. Schwalbe H. . . . 34844 1 9 J. Soppa J. . . . 34844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34844 _Assembly.ID 1 _Assembly.Name 'Small CPxCG-related zinc finger protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MKTTRKGLRDGELEKDTYGR LTCSECGESLKKKNDPDEVF SVRICADCGREWKELR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6495.407 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34844 1 2 . LYS . 34844 1 3 . THR . 34844 1 4 . THR . 34844 1 5 . ARG . 34844 1 6 . LYS . 34844 1 7 . GLY . 34844 1 8 . LEU . 34844 1 9 . ARG . 34844 1 10 . ASP . 34844 1 11 . GLY . 34844 1 12 . GLU . 34844 1 13 . LEU . 34844 1 14 . GLU . 34844 1 15 . LYS . 34844 1 16 . ASP . 34844 1 17 . THR . 34844 1 18 . TYR . 34844 1 19 . GLY . 34844 1 20 . ARG . 34844 1 21 . LEU . 34844 1 22 . THR . 34844 1 23 . CYS . 34844 1 24 . SER . 34844 1 25 . GLU . 34844 1 26 . CYS . 34844 1 27 . GLY . 34844 1 28 . GLU . 34844 1 29 . SER . 34844 1 30 . LEU . 34844 1 31 . LYS . 34844 1 32 . LYS . 34844 1 33 . LYS . 34844 1 34 . ASN . 34844 1 35 . ASP . 34844 1 36 . PRO . 34844 1 37 . ASP . 34844 1 38 . GLU . 34844 1 39 . VAL . 34844 1 40 . PHE . 34844 1 41 . SER . 34844 1 42 . VAL . 34844 1 43 . ARG . 34844 1 44 . ILE . 34844 1 45 . CYS . 34844 1 46 . ALA . 34844 1 47 . ASP . 34844 1 48 . CYS . 34844 1 49 . GLY . 34844 1 50 . ARG . 34844 1 51 . GLU . 34844 1 52 . TRP . 34844 1 53 . LYS . 34844 1 54 . GLU . 34844 1 55 . LEU . 34844 1 56 . ARG . 34844 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34844 1 . LYS 2 2 34844 1 . THR 3 3 34844 1 . THR 4 4 34844 1 . ARG 5 5 34844 1 . LYS 6 6 34844 1 . GLY 7 7 34844 1 . LEU 8 8 34844 1 . ARG 9 9 34844 1 . ASP 10 10 34844 1 . GLY 11 11 34844 1 . GLU 12 12 34844 1 . LEU 13 13 34844 1 . GLU 14 14 34844 1 . LYS 15 15 34844 1 . ASP 16 16 34844 1 . THR 17 17 34844 1 . TYR 18 18 34844 1 . GLY 19 19 34844 1 . ARG 20 20 34844 1 . LEU 21 21 34844 1 . THR 22 22 34844 1 . CYS 23 23 34844 1 . SER 24 24 34844 1 . GLU 25 25 34844 1 . CYS 26 26 34844 1 . GLY 27 27 34844 1 . GLU 28 28 34844 1 . SER 29 29 34844 1 . LEU 30 30 34844 1 . LYS 31 31 34844 1 . LYS 32 32 34844 1 . LYS 33 33 34844 1 . ASN 34 34 34844 1 . ASP 35 35 34844 1 . PRO 36 36 34844 1 . ASP 37 37 34844 1 . GLU 38 38 34844 1 . VAL 39 39 34844 1 . PHE 40 40 34844 1 . SER 41 41 34844 1 . VAL 42 42 34844 1 . ARG 43 43 34844 1 . ILE 44 44 34844 1 . CYS 45 45 34844 1 . ALA 46 46 34844 1 . ASP 47 47 34844 1 . CYS 48 48 34844 1 . GLY 49 49 34844 1 . ARG 50 50 34844 1 . GLU 51 51 34844 1 . TRP 52 52 34844 1 . LYS 53 53 34844 1 . GLU 54 54 34844 1 . LEU 55 55 34844 1 . ARG 56 56 34844 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 34844 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 309800 organism . 'Haloferax volcanii DS2' 'Haloferax volcanii DS2' . . Archaea . Haloferax volcanii . . . . . . . . . . . C498_14943 . 34844 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 34844 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34844 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM BisTris, 1000 mM NaCl, 100 uM ZnCl2, 5 mM 2-mercaptoethanol, 95% H2O/5% D2O' _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 BisTris 'natural abundance' . . . . . . 25 . . mM . . . . 34844 1 2 NaCl 'natural abundance' . . . . . . 1000 . . mM . . . . 34844 1 3 ZnCl2 'natural abundance' . . . . . . 100 . . uM . . . . 34844 1 4 2-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 34844 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 34844 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 1000 . mM 34844 1 pH 7 . pH 34844 1 pressure 1 . atm 34844 1 temperature 298 . K 34844 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34844 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, Markley' . . 34844 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34844 1 'data analysis' . 34844 1 'peak picking' . 34844 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34844 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 4.1.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34844 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34844 2 processing . 34844 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34844 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34844 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34844 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34844 _Software.ID 4 _Software.Type . _Software.Name TENSOR2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dosset, Marion, Blackledge' . . 34844 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34844 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34844 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34844 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34844 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34844 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34844 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34844 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 900 . . . 34844 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 800 . . . 34844 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34844 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 34844 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34844 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34844 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 5 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 6 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34844 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34844 1 9 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34844 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34844 1 12 '3D CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 13 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 14 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34844 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34844 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34844 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34844 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34844 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34844 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34844 1 2 '2D 1H-13C HSQC' . . . 34844 1 3 '3D HNCACB' . . . 34844 1 4 '3D HCCH-TOCSY' . . . 34844 1 5 '3D HCCH-COSY' . . . 34844 1 6 '3D HNHA' . . . 34844 1 7 '3D HN(CA)CO' . . . 34844 1 8 '3D HNCO' . . . 34844 1 9 '3D HN(COCA)CB' . . . 34844 1 10 '3D 1H-15N NOESY' . . . 34844 1 11 '3D 1H-13C NOESY' . . . 34844 1 12 '3D CC(CO)NH' . . . 34844 1 13 '3D (H)CC(CO)NH' . . . 34844 1 14 '3D 1H-15N TOCSY-HSQC' . . . 34844 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.883 0.00 . . . . . . A 1 MET HA . 34844 1 2 . 1 . 1 1 1 MET HB2 H 1 1.837 0.00 . . . . . . A 1 MET HB2 . 34844 1 3 . 1 . 1 1 1 MET HB3 H 1 2.109 0.00 . . . . . . A 1 MET HB3 . 34844 1 4 . 1 . 1 1 1 MET HG2 H 1 2.328 0.00 . . . . . . A 1 MET HG2 . 34844 1 5 . 1 . 1 1 1 MET HG3 H 1 2.430 0.00 . . . . . . A 1 MET HG3 . 34844 1 6 . 1 . 1 1 1 MET C C 13 173.569 0.00 . . . . . . A 1 MET C . 34844 1 7 . 1 . 1 1 1 MET CA C 13 55.623 0.10 . . . . . . A 1 MET CA . 34844 1 8 . 1 . 1 1 1 MET CB C 13 34.990 0.09 . . . . . . A 1 MET CB . 34844 1 9 . 1 . 1 1 1 MET CG C 13 30.527 0.07 . . . . . . A 1 MET CG . 34844 1 10 . 1 . 1 2 2 LYS H H 1 9.055 0.00 . . . . . . A 2 LYS H . 34844 1 11 . 1 . 1 2 2 LYS HA H 1 4.615 0.00 . . . . . . A 2 LYS HA . 34844 1 12 . 1 . 1 2 2 LYS HB2 H 1 1.953 0.00 . . . . . . A 2 LYS HB2 . 34844 1 13 . 1 . 1 2 2 LYS HB3 H 1 1.953 0.00 . . . . . . A 2 LYS HB3 . 34844 1 14 . 1 . 1 2 2 LYS HG2 H 1 1.658 0.00 . . . . . . A 2 LYS HG2 . 34844 1 15 . 1 . 1 2 2 LYS HG3 H 1 1.885 0.00 . . . . . . A 2 LYS HG3 . 34844 1 16 . 1 . 1 2 2 LYS HD2 H 1 1.683 0.00 . . . . . . A 2 LYS HD2 . 34844 1 17 . 1 . 1 2 2 LYS HD3 H 1 2.010 0.00 . . . . . . A 2 LYS HD3 . 34844 1 18 . 1 . 1 2 2 LYS HE2 H 1 2.901 0.00 . . . . . . A 2 LYS HE2 . 34844 1 19 . 1 . 1 2 2 LYS HE3 H 1 3.070 0.00 . . . . . . A 2 LYS HE3 . 34844 1 20 . 1 . 1 2 2 LYS C C 13 176.889 0.00 . . . . . . A 2 LYS C . 34844 1 21 . 1 . 1 2 2 LYS CA C 13 56.502 0.06 . . . . . . A 2 LYS CA . 34844 1 22 . 1 . 1 2 2 LYS CB C 13 34.267 0.08 . . . . . . A 2 LYS CB . 34844 1 23 . 1 . 1 2 2 LYS CG C 13 26.030 0.08 . . . . . . A 2 LYS CG . 34844 1 24 . 1 . 1 2 2 LYS CD C 13 29.718 0.06 . . . . . . A 2 LYS CD . 34844 1 25 . 1 . 1 2 2 LYS CE C 13 42.119 0.05 . . . . . . A 2 LYS CE . 34844 1 26 . 1 . 1 2 2 LYS N N 15 127.031 0.04 . . . . . . A 2 LYS N . 34844 1 27 . 1 . 1 3 3 THR H H 1 8.174 0.00 . . . . . . A 3 THR H . 34844 1 28 . 1 . 1 3 3 THR HA H 1 5.456 0.00 . . . . . . A 3 THR HA . 34844 1 29 . 1 . 1 3 3 THR HB H 1 4.999 0.01 . . . . . . A 3 THR HB . 34844 1 30 . 1 . 1 3 3 THR HG21 H 1 1.446 0.00 . . . . . . A 3 THR HG21 . 34844 1 31 . 1 . 1 3 3 THR HG22 H 1 1.446 0.00 . . . . . . A 3 THR HG22 . 34844 1 32 . 1 . 1 3 3 THR HG23 H 1 1.446 0.00 . . . . . . A 3 THR HG23 . 34844 1 33 . 1 . 1 3 3 THR C C 13 177.551 0.00 . . . . . . A 3 THR C . 34844 1 34 . 1 . 1 3 3 THR CA C 13 60.839 0.06 . . . . . . A 3 THR CA . 34844 1 35 . 1 . 1 3 3 THR CB C 13 71.586 0.07 . . . . . . A 3 THR CB . 34844 1 36 . 1 . 1 3 3 THR CG2 C 13 22.764 0.04 . . . . . . A 3 THR CG2 . 34844 1 37 . 1 . 1 3 3 THR N N 15 112.320 0.01 . . . . . . A 3 THR N . 34844 1 38 . 1 . 1 4 4 THR H H 1 9.070 0.00 . . . . . . A 4 THR H . 34844 1 39 . 1 . 1 4 4 THR HA H 1 3.689 0.00 . . . . . . A 4 THR HA . 34844 1 40 . 1 . 1 4 4 THR HB H 1 3.907 0.00 . . . . . . A 4 THR HB . 34844 1 41 . 1 . 1 4 4 THR HG21 H 1 0.943 0.00 . . . . . . A 4 THR HG21 . 34844 1 42 . 1 . 1 4 4 THR HG22 H 1 0.943 0.00 . . . . . . A 4 THR HG22 . 34844 1 43 . 1 . 1 4 4 THR HG23 H 1 0.943 0.00 . . . . . . A 4 THR HG23 . 34844 1 44 . 1 . 1 4 4 THR C C 13 176.841 0.00 . . . . . . A 4 THR C . 34844 1 45 . 1 . 1 4 4 THR CA C 13 64.553 0.04 . . . . . . A 4 THR CA . 34844 1 46 . 1 . 1 4 4 THR CB C 13 67.499 0.02 . . . . . . A 4 THR CB . 34844 1 47 . 1 . 1 4 4 THR CG2 C 13 23.817 0.06 . . . . . . A 4 THR CG2 . 34844 1 48 . 1 . 1 4 4 THR N N 15 113.115 0.02 . . . . . . A 4 THR N . 34844 1 49 . 1 . 1 5 5 ARG H H 1 7.386 0.00 . . . . . . A 5 ARG H . 34844 1 50 . 1 . 1 5 5 ARG HA H 1 4.013 0.00 . . . . . . A 5 ARG HA . 34844 1 51 . 1 . 1 5 5 ARG HB2 H 1 1.887 0.00 . . . . . . A 5 ARG HB2 . 34844 1 52 . 1 . 1 5 5 ARG HB3 H 1 2.000 0.00 . . . . . . A 5 ARG HB3 . 34844 1 53 . 1 . 1 5 5 ARG HG2 H 1 1.621 0.00 . . . . . . A 5 ARG HG2 . 34844 1 54 . 1 . 1 5 5 ARG HG3 H 1 1.776 0.00 . . . . . . A 5 ARG HG3 . 34844 1 55 . 1 . 1 5 5 ARG HD2 H 1 3.262 0.00 . . . . . . A 5 ARG HD2 . 34844 1 56 . 1 . 1 5 5 ARG HD3 H 1 3.262 0.00 . . . . . . A 5 ARG HD3 . 34844 1 57 . 1 . 1 5 5 ARG C C 13 178.781 0.01 . . . . . . A 5 ARG C . 34844 1 58 . 1 . 1 5 5 ARG CA C 13 59.786 0.09 . . . . . . A 5 ARG CA . 34844 1 59 . 1 . 1 5 5 ARG CB C 13 30.316 0.08 . . . . . . A 5 ARG CB . 34844 1 60 . 1 . 1 5 5 ARG CG C 13 27.332 0.05 . . . . . . A 5 ARG CG . 34844 1 61 . 1 . 1 5 5 ARG CD C 13 43.655 0.08 . . . . . . A 5 ARG CD . 34844 1 62 . 1 . 1 5 5 ARG N N 15 120.654 0.01 . . . . . . A 5 ARG N . 34844 1 63 . 1 . 1 6 6 LYS H H 1 8.026 0.00 . . . . . . A 6 LYS H . 34844 1 64 . 1 . 1 6 6 LYS HA H 1 4.068 0.00 . . . . . . A 6 LYS HA . 34844 1 65 . 1 . 1 6 6 LYS HB2 H 1 1.947 0.00 . . . . . . A 6 LYS HB2 . 34844 1 66 . 1 . 1 6 6 LYS HB3 H 1 2.013 0.00 . . . . . . A 6 LYS HB3 . 34844 1 67 . 1 . 1 6 6 LYS HG2 H 1 1.582 0.00 . . . . . . A 6 LYS HG2 . 34844 1 68 . 1 . 1 6 6 LYS HG3 H 1 1.582 0.00 . . . . . . A 6 LYS HG3 . 34844 1 69 . 1 . 1 6 6 LYS HD2 H 1 1.769 0.00 . . . . . . A 6 LYS HD2 . 34844 1 70 . 1 . 1 6 6 LYS HD3 H 1 1.864 0.00 . . . . . . A 6 LYS HD3 . 34844 1 71 . 1 . 1 6 6 LYS HE2 H 1 3.127 0.00 . . . . . . A 6 LYS HE2 . 34844 1 72 . 1 . 1 6 6 LYS HE3 H 1 3.127 0.00 . . . . . . A 6 LYS HE3 . 34844 1 73 . 1 . 1 6 6 LYS C C 13 178.407 0.00 . . . . . . A 6 LYS C . 34844 1 74 . 1 . 1 6 6 LYS CA C 13 58.843 0.07 . . . . . . A 6 LYS CA . 34844 1 75 . 1 . 1 6 6 LYS CB C 13 32.557 0.07 . . . . . . A 6 LYS CB . 34844 1 76 . 1 . 1 6 6 LYS CG C 13 25.535 0.10 . . . . . . A 6 LYS CG . 34844 1 77 . 1 . 1 6 6 LYS CD C 13 28.934 0.09 . . . . . . A 6 LYS CD . 34844 1 78 . 1 . 1 6 6 LYS CE C 13 42.488 0.03 . . . . . . A 6 LYS CE . 34844 1 79 . 1 . 1 6 6 LYS N N 15 122.023 0.01 . . . . . . A 6 LYS N . 34844 1 80 . 1 . 1 7 7 GLY H H 1 8.966 0.00 . . . . . . A 7 GLY H . 34844 1 81 . 1 . 1 7 7 GLY HA2 H 1 3.433 0.01 . . . . . . A 7 GLY HA2 . 34844 1 82 . 1 . 1 7 7 GLY HA3 H 1 3.889 0.01 . . . . . . A 7 GLY HA3 . 34844 1 83 . 1 . 1 7 7 GLY C C 13 176.177 0.01 . . . . . . A 7 GLY C . 34844 1 84 . 1 . 1 7 7 GLY CA C 13 47.745 0.02 . . . . . . A 7 GLY CA . 34844 1 85 . 1 . 1 7 7 GLY N N 15 107.298 0.02 . . . . . . A 7 GLY N . 34844 1 86 . 1 . 1 8 8 LEU H H 1 8.377 0.00 . . . . . . A 8 LEU H . 34844 1 87 . 1 . 1 8 8 LEU HA H 1 4.122 0.00 . . . . . . A 8 LEU HA . 34844 1 88 . 1 . 1 8 8 LEU HB2 H 1 1.456 0.00 . . . . . . A 8 LEU HB2 . 34844 1 89 . 1 . 1 8 8 LEU HB3 H 1 1.899 0.00 . . . . . . A 8 LEU HB3 . 34844 1 90 . 1 . 1 8 8 LEU HG H 1 1.447 0.00 . . . . . . A 8 LEU HG . 34844 1 91 . 1 . 1 8 8 LEU HD11 H 1 0.595 0.00 . . . . . . A 8 LEU HD11 . 34844 1 92 . 1 . 1 8 8 LEU HD12 H 1 0.595 0.00 . . . . . . A 8 LEU HD12 . 34844 1 93 . 1 . 1 8 8 LEU HD13 H 1 0.595 0.00 . . . . . . A 8 LEU HD13 . 34844 1 94 . 1 . 1 8 8 LEU HD21 H 1 0.773 0.00 . . . . . . A 8 LEU HD21 . 34844 1 95 . 1 . 1 8 8 LEU HD22 H 1 0.773 0.00 . . . . . . A 8 LEU HD22 . 34844 1 96 . 1 . 1 8 8 LEU HD23 H 1 0.773 0.00 . . . . . . A 8 LEU HD23 . 34844 1 97 . 1 . 1 8 8 LEU C C 13 180.104 0.00 . . . . . . A 8 LEU C . 34844 1 98 . 1 . 1 8 8 LEU CA C 13 58.037 0.07 . . . . . . A 8 LEU CA . 34844 1 99 . 1 . 1 8 8 LEU CB C 13 42.422 0.06 . . . . . . A 8 LEU CB . 34844 1 100 . 1 . 1 8 8 LEU CG C 13 27.168 0.07 . . . . . . A 8 LEU CG . 34844 1 101 . 1 . 1 8 8 LEU CD1 C 13 23.187 0.10 . . . . . . A 8 LEU CD1 . 34844 1 102 . 1 . 1 8 8 LEU CD2 C 13 25.879 0.00 . . . . . . A 8 LEU CD2 . 34844 1 103 . 1 . 1 8 8 LEU N N 15 123.650 0.01 . . . . . . A 8 LEU N . 34844 1 104 . 1 . 1 9 9 ARG H H 1 7.774 0.00 . . . . . . A 9 ARG H . 34844 1 105 . 1 . 1 9 9 ARG HA H 1 4.044 0.00 . . . . . . A 9 ARG HA . 34844 1 106 . 1 . 1 9 9 ARG HB2 H 1 2.022 0.00 . . . . . . A 9 ARG HB2 . 34844 1 107 . 1 . 1 9 9 ARG HB3 H 1 2.022 0.00 . . . . . . A 9 ARG HB3 . 34844 1 108 . 1 . 1 9 9 ARG HG2 H 1 1.715 0.00 . . . . . . A 9 ARG HG2 . 34844 1 109 . 1 . 1 9 9 ARG HG3 H 1 1.715 0.00 . . . . . . A 9 ARG HG3 . 34844 1 110 . 1 . 1 9 9 ARG HD2 H 1 3.256 0.01 . . . . . . A 9 ARG HD2 . 34844 1 111 . 1 . 1 9 9 ARG HD3 H 1 3.256 0.01 . . . . . . A 9 ARG HD3 . 34844 1 112 . 1 . 1 9 9 ARG C C 13 178.518 0.00 . . . . . . A 9 ARG C . 34844 1 113 . 1 . 1 9 9 ARG CA C 13 59.343 0.07 . . . . . . A 9 ARG CA . 34844 1 114 . 1 . 1 9 9 ARG CB C 13 30.109 0.08 . . . . . . A 9 ARG CB . 34844 1 115 . 1 . 1 9 9 ARG CG C 13 27.090 0.05 . . . . . . A 9 ARG CG . 34844 1 116 . 1 . 1 9 9 ARG CD C 13 43.681 0.12 . . . . . . A 9 ARG CD . 34844 1 117 . 1 . 1 9 9 ARG N N 15 121.998 0.01 . . . . . . A 9 ARG N . 34844 1 118 . 1 . 1 10 10 ASP H H 1 8.602 0.00 . . . . . . A 10 ASP H . 34844 1 119 . 1 . 1 10 10 ASP HA H 1 4.699 0.01 . . . . . . A 10 ASP HA . 34844 1 120 . 1 . 1 10 10 ASP HB2 H 1 2.640 0.00 . . . . . . A 10 ASP HB2 . 34844 1 121 . 1 . 1 10 10 ASP HB3 H 1 3.041 0.00 . . . . . . A 10 ASP HB3 . 34844 1 122 . 1 . 1 10 10 ASP C C 13 176.892 0.00 . . . . . . A 10 ASP C . 34844 1 123 . 1 . 1 10 10 ASP CA C 13 54.928 0.06 . . . . . . A 10 ASP CA . 34844 1 124 . 1 . 1 10 10 ASP CB C 13 40.790 0.06 . . . . . . A 10 ASP CB . 34844 1 125 . 1 . 1 10 10 ASP N N 15 116.733 0.01 . . . . . . A 10 ASP N . 34844 1 126 . 1 . 1 11 11 GLY H H 1 7.788 0.00 . . . . . . A 11 GLY H . 34844 1 127 . 1 . 1 11 11 GLY HA2 H 1 3.964 0.00 . . . . . . A 11 GLY HA2 . 34844 1 128 . 1 . 1 11 11 GLY HA3 H 1 4.242 0.00 . . . . . . A 11 GLY HA3 . 34844 1 129 . 1 . 1 11 11 GLY C C 13 174.668 0.01 . . . . . . A 11 GLY C . 34844 1 130 . 1 . 1 11 11 GLY CA C 13 46.029 0.01 . . . . . . A 11 GLY CA . 34844 1 131 . 1 . 1 11 11 GLY N N 15 107.854 0.01 . . . . . . A 11 GLY N . 34844 1 132 . 1 . 1 12 12 GLU H H 1 8.356 0.00 . . . . . . A 12 GLU H . 34844 1 133 . 1 . 1 12 12 GLU HA H 1 4.364 0.00 . . . . . . A 12 GLU HA . 34844 1 134 . 1 . 1 12 12 GLU HB2 H 1 2.104 0.00 . . . . . . A 12 GLU HB2 . 34844 1 135 . 1 . 1 12 12 GLU HB3 H 1 2.546 0.01 . . . . . . A 12 GLU HB3 . 34844 1 136 . 1 . 1 12 12 GLU HG2 H 1 2.327 0.00 . . . . . . A 12 GLU HG2 . 34844 1 137 . 1 . 1 12 12 GLU HG3 H 1 2.571 0.00 . . . . . . A 12 GLU HG3 . 34844 1 138 . 1 . 1 12 12 GLU C C 13 175.997 0.01 . . . . . . A 12 GLU C . 34844 1 139 . 1 . 1 12 12 GLU CA C 13 56.998 0.07 . . . . . . A 12 GLU CA . 34844 1 140 . 1 . 1 12 12 GLU CB C 13 31.373 0.03 . . . . . . A 12 GLU CB . 34844 1 141 . 1 . 1 12 12 GLU CG C 13 36.206 0.08 . . . . . . A 12 GLU CG . 34844 1 142 . 1 . 1 12 12 GLU N N 15 118.072 0.06 . . . . . . A 12 GLU N . 34844 1 143 . 1 . 1 13 13 LEU H H 1 6.926 0.00 . . . . . . A 13 LEU H . 34844 1 144 . 1 . 1 13 13 LEU HA H 1 5.050 0.00 . . . . . . A 13 LEU HA . 34844 1 145 . 1 . 1 13 13 LEU HB2 H 1 0.837 0.00 . . . . . . A 13 LEU HB2 . 34844 1 146 . 1 . 1 13 13 LEU HB3 H 1 0.882 0.00 . . . . . . A 13 LEU HB3 . 34844 1 147 . 1 . 1 13 13 LEU HG H 1 0.351 0.00 . . . . . . A 13 LEU HG . 34844 1 148 . 1 . 1 13 13 LEU HD11 H 1 -0.527 0.00 . . . . . . A 13 LEU HD11 . 34844 1 149 . 1 . 1 13 13 LEU HD12 H 1 -0.527 0.00 . . . . . . A 13 LEU HD12 . 34844 1 150 . 1 . 1 13 13 LEU HD13 H 1 -0.527 0.00 . . . . . . A 13 LEU HD13 . 34844 1 151 . 1 . 1 13 13 LEU HD21 H 1 -0.096 0.00 . . . . . . A 13 LEU HD21 . 34844 1 152 . 1 . 1 13 13 LEU HD22 H 1 -0.096 0.00 . . . . . . A 13 LEU HD22 . 34844 1 153 . 1 . 1 13 13 LEU HD23 H 1 -0.096 0.00 . . . . . . A 13 LEU HD23 . 34844 1 154 . 1 . 1 13 13 LEU C C 13 174.647 0.01 . . . . . . A 13 LEU C . 34844 1 155 . 1 . 1 13 13 LEU CA C 13 51.696 0.05 . . . . . . A 13 LEU CA . 34844 1 156 . 1 . 1 13 13 LEU CB C 13 47.501 0.04 . . . . . . A 13 LEU CB . 34844 1 157 . 1 . 1 13 13 LEU CG C 13 27.145 0.00 . . . . . . A 13 LEU CG . 34844 1 158 . 1 . 1 13 13 LEU CD1 C 13 24.053 0.03 . . . . . . A 13 LEU CD1 . 34844 1 159 . 1 . 1 13 13 LEU CD2 C 13 25.370 0.03 . . . . . . A 13 LEU CD2 . 34844 1 160 . 1 . 1 13 13 LEU N N 15 116.924 0.01 . . . . . . A 13 LEU N . 34844 1 161 . 1 . 1 14 14 GLU H H 1 8.567 0.00 . . . . . . A 14 GLU H . 34844 1 162 . 1 . 1 14 14 GLU HA H 1 4.413 0.00 . . . . . . A 14 GLU HA . 34844 1 163 . 1 . 1 14 14 GLU HB2 H 1 1.728 0.00 . . . . . . A 14 GLU HB2 . 34844 1 164 . 1 . 1 14 14 GLU HB3 H 1 1.855 0.00 . . . . . . A 14 GLU HB3 . 34844 1 165 . 1 . 1 14 14 GLU HG2 H 1 1.789 0.00 . . . . . . A 14 GLU HG2 . 34844 1 166 . 1 . 1 14 14 GLU HG3 H 1 1.932 0.00 . . . . . . A 14 GLU HG3 . 34844 1 167 . 1 . 1 14 14 GLU C C 13 174.135 0.00 . . . . . . A 14 GLU C . 34844 1 168 . 1 . 1 14 14 GLU CA C 13 54.078 0.08 . . . . . . A 14 GLU CA . 34844 1 169 . 1 . 1 14 14 GLU CB C 13 33.416 0.03 . . . . . . A 14 GLU CB . 34844 1 170 . 1 . 1 14 14 GLU CG C 13 35.697 0.10 . . . . . . A 14 GLU CG . 34844 1 171 . 1 . 1 14 14 GLU N N 15 117.064 0.01 . . . . . . A 14 GLU N . 34844 1 172 . 1 . 1 15 15 LYS H H 1 8.519 0.00 . . . . . . A 15 LYS H . 34844 1 173 . 1 . 1 15 15 LYS HA H 1 5.027 0.01 . . . . . . A 15 LYS HA . 34844 1 174 . 1 . 1 15 15 LYS HB2 H 1 1.558 0.01 . . . . . . A 15 LYS HB2 . 34844 1 175 . 1 . 1 15 15 LYS HB3 H 1 1.558 0.01 . . . . . . A 15 LYS HB3 . 34844 1 176 . 1 . 1 15 15 LYS HG2 H 1 1.169 0.00 . . . . . . A 15 LYS HG2 . 34844 1 177 . 1 . 1 15 15 LYS HG3 H 1 1.220 0.00 . . . . . . A 15 LYS HG3 . 34844 1 178 . 1 . 1 15 15 LYS HD2 H 1 1.574 0.00 . . . . . . A 15 LYS HD2 . 34844 1 179 . 1 . 1 15 15 LYS HD3 H 1 1.574 0.00 . . . . . . A 15 LYS HD3 . 34844 1 180 . 1 . 1 15 15 LYS HE2 H 1 2.851 0.00 . . . . . . A 15 LYS HE2 . 34844 1 181 . 1 . 1 15 15 LYS HE3 H 1 2.851 0.00 . . . . . . A 15 LYS HE3 . 34844 1 182 . 1 . 1 15 15 LYS C C 13 176.666 0.00 . . . . . . A 15 LYS C . 34844 1 183 . 1 . 1 15 15 LYS CA C 13 55.009 0.06 . . . . . . A 15 LYS CA . 34844 1 184 . 1 . 1 15 15 LYS CB C 13 35.038 0.07 . . . . . . A 15 LYS CB . 34844 1 185 . 1 . 1 15 15 LYS CG C 13 25.746 0.07 . . . . . . A 15 LYS CG . 34844 1 186 . 1 . 1 15 15 LYS CD C 13 29.598 0.07 . . . . . . A 15 LYS CD . 34844 1 187 . 1 . 1 15 15 LYS CE C 13 42.151 0.12 . . . . . . A 15 LYS CE . 34844 1 188 . 1 . 1 15 15 LYS N N 15 120.869 0.01 . . . . . . A 15 LYS N . 34844 1 189 . 1 . 1 16 16 ASP H H 1 8.303 0.01 . . . . . . A 16 ASP H . 34844 1 190 . 1 . 1 16 16 ASP HA H 1 4.698 0.00 . . . . . . A 16 ASP HA . 34844 1 191 . 1 . 1 16 16 ASP HB2 H 1 2.742 0.01 . . . . . . A 16 ASP HB2 . 34844 1 192 . 1 . 1 16 16 ASP HB3 H 1 3.431 0.01 . . . . . . A 16 ASP HB3 . 34844 1 193 . 1 . 1 16 16 ASP C C 13 178.565 0.01 . . . . . . A 16 ASP C . 34844 1 194 . 1 . 1 16 16 ASP CA C 13 52.423 0.03 . . . . . . A 16 ASP CA . 34844 1 195 . 1 . 1 16 16 ASP CB C 13 41.239 0.06 . . . . . . A 16 ASP CB . 34844 1 196 . 1 . 1 16 16 ASP N N 15 123.738 0.01 . . . . . . A 16 ASP N . 34844 1 197 . 1 . 1 17 17 THR H H 1 7.957 0.00 . . . . . . A 17 THR H . 34844 1 198 . 1 . 1 17 17 THR HA H 1 3.903 0.01 . . . . . . A 17 THR HA . 34844 1 199 . 1 . 1 17 17 THR HB H 1 3.873 0.01 . . . . . . A 17 THR HB . 34844 1 200 . 1 . 1 17 17 THR HG21 H 1 0.897 0.00 . . . . . . A 17 THR HG21 . 34844 1 201 . 1 . 1 17 17 THR HG22 H 1 0.897 0.00 . . . . . . A 17 THR HG22 . 34844 1 202 . 1 . 1 17 17 THR HG23 H 1 0.897 0.00 . . . . . . A 17 THR HG23 . 34844 1 203 . 1 . 1 17 17 THR C C 13 174.820 0.01 . . . . . . A 17 THR C . 34844 1 204 . 1 . 1 17 17 THR CA C 13 64.712 0.10 . . . . . . A 17 THR CA . 34844 1 205 . 1 . 1 17 17 THR CB C 13 68.948 0.07 . . . . . . A 17 THR CB . 34844 1 206 . 1 . 1 17 17 THR CG2 C 13 21.226 0.08 . . . . . . A 17 THR CG2 . 34844 1 207 . 1 . 1 17 17 THR N N 15 111.202 0.02 . . . . . . A 17 THR N . 34844 1 208 . 1 . 1 18 18 TYR H H 1 7.967 0.00 . . . . . . A 18 TYR H . 34844 1 209 . 1 . 1 18 18 TYR HA H 1 4.566 0.00 . . . . . . A 18 TYR HA . 34844 1 210 . 1 . 1 18 18 TYR HB2 H 1 2.880 0.00 . . . . . . A 18 TYR HB2 . 34844 1 211 . 1 . 1 18 18 TYR HB3 H 1 3.363 0.00 . . . . . . A 18 TYR HB3 . 34844 1 212 . 1 . 1 18 18 TYR HD1 H 1 7.097 0.00 . . . . . . A 18 TYR HD1 . 34844 1 213 . 1 . 1 18 18 TYR HD2 H 1 7.097 0.00 . . . . . . A 18 TYR HD2 . 34844 1 214 . 1 . 1 18 18 TYR HE1 H 1 6.820 0.00 . . . . . . A 18 TYR HE1 . 34844 1 215 . 1 . 1 18 18 TYR HE2 H 1 6.820 0.00 . . . . . . A 18 TYR HE2 . 34844 1 216 . 1 . 1 18 18 TYR C C 13 176.113 0.01 . . . . . . A 18 TYR C . 34844 1 217 . 1 . 1 18 18 TYR CA C 13 57.453 0.03 . . . . . . A 18 TYR CA . 34844 1 218 . 1 . 1 18 18 TYR CB C 13 38.247 0.05 . . . . . . A 18 TYR CB . 34844 1 219 . 1 . 1 18 18 TYR CD1 C 13 133.607 0.00 . . . . . . A 18 TYR CD1 . 34844 1 220 . 1 . 1 18 18 TYR CE2 C 13 118.815 0.00 . . . . . . A 18 TYR CE2 . 34844 1 221 . 1 . 1 18 18 TYR N N 15 119.893 0.00 . . . . . . A 18 TYR N . 34844 1 222 . 1 . 1 19 19 GLY H H 1 8.190 0.01 . . . . . . A 19 GLY H . 34844 1 223 . 1 . 1 19 19 GLY HA2 H 1 3.550 0.00 . . . . . . A 19 GLY HA2 . 34844 1 224 . 1 . 1 19 19 GLY HA3 H 1 4.251 0.00 . . . . . . A 19 GLY HA3 . 34844 1 225 . 1 . 1 19 19 GLY C C 13 174.023 0.00 . . . . . . A 19 GLY C . 34844 1 226 . 1 . 1 19 19 GLY CA C 13 45.558 0.07 . . . . . . A 19 GLY CA . 34844 1 227 . 1 . 1 19 19 GLY N N 15 108.752 0.01 . . . . . . A 19 GLY N . 34844 1 228 . 1 . 1 20 20 ARG H H 1 8.565 0.00 . . . . . . A 20 ARG H . 34844 1 229 . 1 . 1 20 20 ARG HA H 1 4.447 0.00 . . . . . . A 20 ARG HA . 34844 1 230 . 1 . 1 20 20 ARG HB2 H 1 2.006 0.01 . . . . . . A 20 ARG HB2 . 34844 1 231 . 1 . 1 20 20 ARG HB3 H 1 2.006 0.01 . . . . . . A 20 ARG HB3 . 34844 1 232 . 1 . 1 20 20 ARG HG2 H 1 1.708 0.01 . . . . . . A 20 ARG HG2 . 34844 1 233 . 1 . 1 20 20 ARG HG3 H 1 1.708 0.01 . . . . . . A 20 ARG HG3 . 34844 1 234 . 1 . 1 20 20 ARG HD2 H 1 3.181 0.01 . . . . . . A 20 ARG HD2 . 34844 1 235 . 1 . 1 20 20 ARG HD3 H 1 3.270 0.01 . . . . . . A 20 ARG HD3 . 34844 1 236 . 1 . 1 20 20 ARG C C 13 177.327 0.00 . . . . . . A 20 ARG C . 34844 1 237 . 1 . 1 20 20 ARG CA C 13 55.956 0.09 . . . . . . A 20 ARG CA . 34844 1 238 . 1 . 1 20 20 ARG CB C 13 30.340 0.10 . . . . . . A 20 ARG CB . 34844 1 239 . 1 . 1 20 20 ARG CG C 13 27.137 0.13 . . . . . . A 20 ARG CG . 34844 1 240 . 1 . 1 20 20 ARG CD C 13 43.643 0.05 . . . . . . A 20 ARG CD . 34844 1 241 . 1 . 1 20 20 ARG N N 15 121.485 0.01 . . . . . . A 20 ARG N . 34844 1 242 . 1 . 1 21 21 LEU H H 1 8.626 0.00 . . . . . . A 21 LEU H . 34844 1 243 . 1 . 1 21 21 LEU HA H 1 4.523 0.00 . . . . . . A 21 LEU HA . 34844 1 244 . 1 . 1 21 21 LEU HB2 H 1 1.030 0.00 . . . . . . A 21 LEU HB2 . 34844 1 245 . 1 . 1 21 21 LEU HB3 H 1 1.685 0.01 . . . . . . A 21 LEU HB3 . 34844 1 246 . 1 . 1 21 21 LEU HG H 1 1.732 0.00 . . . . . . A 21 LEU HG . 34844 1 247 . 1 . 1 21 21 LEU HD11 H 1 0.674 0.00 . . . . . . A 21 LEU HD11 . 34844 1 248 . 1 . 1 21 21 LEU HD12 H 1 0.674 0.00 . . . . . . A 21 LEU HD12 . 34844 1 249 . 1 . 1 21 21 LEU HD13 H 1 0.674 0.00 . . . . . . A 21 LEU HD13 . 34844 1 250 . 1 . 1 21 21 LEU HD21 H 1 0.771 0.00 . . . . . . A 21 LEU HD21 . 34844 1 251 . 1 . 1 21 21 LEU HD22 H 1 0.771 0.00 . . . . . . A 21 LEU HD22 . 34844 1 252 . 1 . 1 21 21 LEU HD23 H 1 0.771 0.00 . . . . . . A 21 LEU HD23 . 34844 1 253 . 1 . 1 21 21 LEU C C 13 177.110 0.00 . . . . . . A 21 LEU C . 34844 1 254 . 1 . 1 21 21 LEU CA C 13 55.460 0.10 . . . . . . A 21 LEU CA . 34844 1 255 . 1 . 1 21 21 LEU CB C 13 43.945 0.07 . . . . . . A 21 LEU CB . 34844 1 256 . 1 . 1 21 21 LEU CG C 13 26.735 0.00 . . . . . . A 21 LEU CG . 34844 1 257 . 1 . 1 21 21 LEU CD1 C 13 24.021 0.05 . . . . . . A 21 LEU CD1 . 34844 1 258 . 1 . 1 21 21 LEU CD2 C 13 25.938 0.10 . . . . . . A 21 LEU CD2 . 34844 1 259 . 1 . 1 21 21 LEU N N 15 124.278 0.01 . . . . . . A 21 LEU N . 34844 1 260 . 1 . 1 22 22 THR H H 1 8.845 0.01 . . . . . . A 22 THR H . 34844 1 261 . 1 . 1 22 22 THR HA H 1 4.650 0.00 . . . . . . A 22 THR HA . 34844 1 262 . 1 . 1 22 22 THR HB H 1 3.555 0.00 . . . . . . A 22 THR HB . 34844 1 263 . 1 . 1 22 22 THR HG21 H 1 0.831 0.00 . . . . . . A 22 THR HG21 . 34844 1 264 . 1 . 1 22 22 THR HG22 H 1 0.831 0.00 . . . . . . A 22 THR HG22 . 34844 1 265 . 1 . 1 22 22 THR HG23 H 1 0.831 0.00 . . . . . . A 22 THR HG23 . 34844 1 266 . 1 . 1 22 22 THR C C 13 172.338 0.00 . . . . . . A 22 THR C . 34844 1 267 . 1 . 1 22 22 THR CA C 13 60.644 0.17 . . . . . . A 22 THR CA . 34844 1 268 . 1 . 1 22 22 THR CB C 13 72.481 0.08 . . . . . . A 22 THR CB . 34844 1 269 . 1 . 1 22 22 THR CG2 C 13 20.731 0.11 . . . . . . A 22 THR CG2 . 34844 1 270 . 1 . 1 22 22 THR N N 15 117.740 0.01 . . . . . . A 22 THR N . 34844 1 271 . 1 . 1 23 23 CYS H H 1 8.265 0.01 . . . . . . A 23 CYS H . 34844 1 272 . 1 . 1 23 23 CYS HA H 1 4.207 0.00 . . . . . . A 23 CYS HA . 34844 1 273 . 1 . 1 23 23 CYS HB2 H 1 3.102 0.00 . . . . . . A 23 CYS HB2 . 34844 1 274 . 1 . 1 23 23 CYS HB3 H 1 3.217 0.00 . . . . . . A 23 CYS HB3 . 34844 1 275 . 1 . 1 23 23 CYS C C 13 177.666 0.01 . . . . . . A 23 CYS C . 34844 1 276 . 1 . 1 23 23 CYS CA C 13 59.928 0.16 . . . . . . A 23 CYS CA . 34844 1 277 . 1 . 1 23 23 CYS CB C 13 32.250 0.06 . . . . . . A 23 CYS CB . 34844 1 278 . 1 . 1 23 23 CYS N N 15 126.105 0.01 . . . . . . A 23 CYS N . 34844 1 279 . 1 . 1 24 24 SER H H 1 8.666 0.00 . . . . . . A 24 SER H . 34844 1 280 . 1 . 1 24 24 SER HA H 1 4.073 0.01 . . . . . . A 24 SER HA . 34844 1 281 . 1 . 1 24 24 SER HB2 H 1 3.648 0.00 . . . . . . A 24 SER HB2 . 34844 1 282 . 1 . 1 24 24 SER HB3 H 1 3.680 0.00 . . . . . . A 24 SER HB3 . 34844 1 283 . 1 . 1 24 24 SER C C 13 175.470 0.00 . . . . . . A 24 SER C . 34844 1 284 . 1 . 1 24 24 SER CA C 13 61.564 0.09 . . . . . . A 24 SER CA . 34844 1 285 . 1 . 1 24 24 SER CB C 13 63.523 0.05 . . . . . . A 24 SER CB . 34844 1 286 . 1 . 1 24 24 SER N N 15 127.133 0.02 . . . . . . A 24 SER N . 34844 1 287 . 1 . 1 25 25 GLU H H 1 8.460 0.00 . . . . . . A 25 GLU H . 34844 1 288 . 1 . 1 25 25 GLU HA H 1 4.217 0.00 . . . . . . A 25 GLU HA . 34844 1 289 . 1 . 1 25 25 GLU HB2 H 1 2.155 0.00 . . . . . . A 25 GLU HB2 . 34844 1 290 . 1 . 1 25 25 GLU HB3 H 1 2.241 0.00 . . . . . . A 25 GLU HB3 . 34844 1 291 . 1 . 1 25 25 GLU HG2 H 1 2.336 0.00 . . . . . . A 25 GLU HG2 . 34844 1 292 . 1 . 1 25 25 GLU HG3 H 1 2.373 0.00 . . . . . . A 25 GLU HG3 . 34844 1 293 . 1 . 1 25 25 GLU C C 13 178.685 0.01 . . . . . . A 25 GLU C . 34844 1 294 . 1 . 1 25 25 GLU CA C 13 59.296 0.07 . . . . . . A 25 GLU CA . 34844 1 295 . 1 . 1 25 25 GLU CB C 13 30.649 0.08 . . . . . . A 25 GLU CB . 34844 1 296 . 1 . 1 25 25 GLU CG C 13 36.366 0.07 . . . . . . A 25 GLU CG . 34844 1 297 . 1 . 1 25 25 GLU N N 15 123.179 0.01 . . . . . . A 25 GLU N . 34844 1 298 . 1 . 1 26 26 CYS H H 1 8.813 0.00 . . . . . . A 26 CYS H . 34844 1 299 . 1 . 1 26 26 CYS HA H 1 4.243 0.00 . . . . . . A 26 CYS HA . 34844 1 300 . 1 . 1 26 26 CYS HB2 H 1 2.784 0.00 . . . . . . A 26 CYS HB2 . 34844 1 301 . 1 . 1 26 26 CYS HB3 H 1 3.179 0.00 . . . . . . A 26 CYS HB3 . 34844 1 302 . 1 . 1 26 26 CYS C C 13 177.849 0.01 . . . . . . A 26 CYS C . 34844 1 303 . 1 . 1 26 26 CYS CA C 13 60.659 0.04 . . . . . . A 26 CYS CA . 34844 1 304 . 1 . 1 26 26 CYS CB C 13 32.293 0.08 . . . . . . A 26 CYS CB . 34844 1 305 . 1 . 1 26 26 CYS N N 15 120.695 0.01 . . . . . . A 26 CYS N . 34844 1 306 . 1 . 1 27 27 GLY H H 1 8.516 0.00 . . . . . . A 27 GLY H . 34844 1 307 . 1 . 1 27 27 GLY HA2 H 1 3.753 0.00 . . . . . . A 27 GLY HA2 . 34844 1 308 . 1 . 1 27 27 GLY HA3 H 1 4.023 0.01 . . . . . . A 27 GLY HA3 . 34844 1 309 . 1 . 1 27 27 GLY C C 13 173.857 0.00 . . . . . . A 27 GLY C . 34844 1 310 . 1 . 1 27 27 GLY CA C 13 45.888 0.01 . . . . . . A 27 GLY CA . 34844 1 311 . 1 . 1 27 27 GLY N N 15 107.841 0.02 . . . . . . A 27 GLY N . 34844 1 312 . 1 . 1 28 28 GLU HA H 1 4.624 0.00 . . . . . . A 28 GLU HA . 34844 1 313 . 1 . 1 28 28 GLU HB2 H 1 2.057 0.00 . . . . . . A 28 GLU HB2 . 34844 1 314 . 1 . 1 28 28 GLU HB3 H 1 2.311 0.00 . . . . . . A 28 GLU HB3 . 34844 1 315 . 1 . 1 28 28 GLU HG2 H 1 2.195 0.01 . . . . . . A 28 GLU HG2 . 34844 1 316 . 1 . 1 28 28 GLU HG3 H 1 2.515 0.00 . . . . . . A 28 GLU HG3 . 34844 1 317 . 1 . 1 28 28 GLU C C 13 176.044 0.00 . . . . . . A 28 GLU C . 34844 1 318 . 1 . 1 28 28 GLU CA C 13 54.466 0.08 . . . . . . A 28 GLU CA . 34844 1 319 . 1 . 1 28 28 GLU CB C 13 33.019 0.01 . . . . . . A 28 GLU CB . 34844 1 320 . 1 . 1 28 28 GLU CG C 13 35.710 0.08 . . . . . . A 28 GLU CG . 34844 1 321 . 1 . 1 29 29 SER H H 1 8.798 0.00 . . . . . . A 29 SER H . 34844 1 322 . 1 . 1 29 29 SER HA H 1 4.615 0.00 . . . . . . A 29 SER HA . 34844 1 323 . 1 . 1 29 29 SER HB2 H 1 3.861 0.00 . . . . . . A 29 SER HB2 . 34844 1 324 . 1 . 1 29 29 SER HB3 H 1 3.914 0.00 . . . . . . A 29 SER HB3 . 34844 1 325 . 1 . 1 29 29 SER C C 13 174.960 0.00 . . . . . . A 29 SER C . 34844 1 326 . 1 . 1 29 29 SER CA C 13 58.706 0.06 . . . . . . A 29 SER CA . 34844 1 327 . 1 . 1 29 29 SER CB C 13 63.418 0.08 . . . . . . A 29 SER CB . 34844 1 328 . 1 . 1 29 29 SER N N 15 119.184 0.01 . . . . . . A 29 SER N . 34844 1 329 . 1 . 1 30 30 LEU H H 1 8.224 0.00 . . . . . . A 30 LEU H . 34844 1 330 . 1 . 1 30 30 LEU HA H 1 4.585 0.00 . . . . . . A 30 LEU HA . 34844 1 331 . 1 . 1 30 30 LEU HB2 H 1 1.451 0.00 . . . . . . A 30 LEU HB2 . 34844 1 332 . 1 . 1 30 30 LEU HB3 H 1 1.656 0.00 . . . . . . A 30 LEU HB3 . 34844 1 333 . 1 . 1 30 30 LEU HG H 1 1.367 0.00 . . . . . . A 30 LEU HG . 34844 1 334 . 1 . 1 30 30 LEU HD11 H 1 0.557 0.00 . . . . . . A 30 LEU HD11 . 34844 1 335 . 1 . 1 30 30 LEU HD12 H 1 0.557 0.00 . . . . . . A 30 LEU HD12 . 34844 1 336 . 1 . 1 30 30 LEU HD13 H 1 0.557 0.00 . . . . . . A 30 LEU HD13 . 34844 1 337 . 1 . 1 30 30 LEU HD21 H 1 0.728 0.00 . . . . . . A 30 LEU HD21 . 34844 1 338 . 1 . 1 30 30 LEU HD22 H 1 0.728 0.00 . . . . . . A 30 LEU HD22 . 34844 1 339 . 1 . 1 30 30 LEU HD23 H 1 0.728 0.00 . . . . . . A 30 LEU HD23 . 34844 1 340 . 1 . 1 30 30 LEU C C 13 178.715 0.01 . . . . . . A 30 LEU C . 34844 1 341 . 1 . 1 30 30 LEU CA C 13 54.938 0.09 . . . . . . A 30 LEU CA . 34844 1 342 . 1 . 1 30 30 LEU CB C 13 42.401 0.06 . . . . . . A 30 LEU CB . 34844 1 343 . 1 . 1 30 30 LEU CG C 13 26.919 0.21 . . . . . . A 30 LEU CG . 34844 1 344 . 1 . 1 30 30 LEU CD1 C 13 27.189 0.05 . . . . . . A 30 LEU CD1 . 34844 1 345 . 1 . 1 30 30 LEU CD2 C 13 22.840 0.08 . . . . . . A 30 LEU CD2 . 34844 1 346 . 1 . 1 30 30 LEU N N 15 121.734 0.01 . . . . . . A 30 LEU N . 34844 1 347 . 1 . 1 31 31 LYS H H 1 9.168 0.00 . . . . . . A 31 LYS H . 34844 1 348 . 1 . 1 31 31 LYS HA H 1 4.683 0.01 . . . . . . A 31 LYS HA . 34844 1 349 . 1 . 1 31 31 LYS HB2 H 1 1.808 0.00 . . . . . . A 31 LYS HB2 . 34844 1 350 . 1 . 1 31 31 LYS HB3 H 1 2.032 0.00 . . . . . . A 31 LYS HB3 . 34844 1 351 . 1 . 1 31 31 LYS HG2 H 1 1.640 0.00 . . . . . . A 31 LYS HG2 . 34844 1 352 . 1 . 1 31 31 LYS HG3 H 1 1.640 0.00 . . . . . . A 31 LYS HG3 . 34844 1 353 . 1 . 1 31 31 LYS HD2 H 1 1.741 0.00 . . . . . . A 31 LYS HD2 . 34844 1 354 . 1 . 1 31 31 LYS HD3 H 1 1.741 0.00 . . . . . . A 31 LYS HD3 . 34844 1 355 . 1 . 1 31 31 LYS HE2 H 1 3.053 0.00 . . . . . . A 31 LYS HE2 . 34844 1 356 . 1 . 1 31 31 LYS HE3 H 1 3.053 0.00 . . . . . . A 31 LYS HE3 . 34844 1 357 . 1 . 1 31 31 LYS C C 13 176.632 0.00 . . . . . . A 31 LYS C . 34844 1 358 . 1 . 1 31 31 LYS CA C 13 55.001 0.08 . . . . . . A 31 LYS CA . 34844 1 359 . 1 . 1 31 31 LYS CB C 13 34.103 0.06 . . . . . . A 31 LYS CB . 34844 1 360 . 1 . 1 31 31 LYS CG C 13 25.173 0.09 . . . . . . A 31 LYS CG . 34844 1 361 . 1 . 1 31 31 LYS CD C 13 28.896 0.06 . . . . . . A 31 LYS CD . 34844 1 362 . 1 . 1 31 31 LYS CE C 13 42.404 0.05 . . . . . . A 31 LYS CE . 34844 1 363 . 1 . 1 31 31 LYS N N 15 123.445 0.01 . . . . . . A 31 LYS N . 34844 1 364 . 1 . 1 32 32 LYS H H 1 8.765 0.00 . . . . . . A 32 LYS H . 34844 1 365 . 1 . 1 32 32 LYS HA H 1 4.864 0.00 . . . . . . A 32 LYS HA . 34844 1 366 . 1 . 1 32 32 LYS HB2 H 1 1.653 0.01 . . . . . . A 32 LYS HB2 . 34844 1 367 . 1 . 1 32 32 LYS HB3 H 1 1.864 0.00 . . . . . . A 32 LYS HB3 . 34844 1 368 . 1 . 1 32 32 LYS HG2 H 1 1.311 0.00 . . . . . . A 32 LYS HG2 . 34844 1 369 . 1 . 1 32 32 LYS HG3 H 1 1.402 0.00 . . . . . . A 32 LYS HG3 . 34844 1 370 . 1 . 1 32 32 LYS HD2 H 1 1.699 0.00 . . . . . . A 32 LYS HD2 . 34844 1 371 . 1 . 1 32 32 LYS HD3 H 1 1.699 0.00 . . . . . . A 32 LYS HD3 . 34844 1 372 . 1 . 1 32 32 LYS HE2 H 1 2.995 0.00 . . . . . . A 32 LYS HE2 . 34844 1 373 . 1 . 1 32 32 LYS HE3 H 1 2.995 0.00 . . . . . . A 32 LYS HE3 . 34844 1 374 . 1 . 1 32 32 LYS C C 13 175.477 0.00 . . . . . . A 32 LYS C . 34844 1 375 . 1 . 1 32 32 LYS CA C 13 56.522 0.06 . . . . . . A 32 LYS CA . 34844 1 376 . 1 . 1 32 32 LYS CB C 13 34.570 0.08 . . . . . . A 32 LYS CB . 34844 1 377 . 1 . 1 32 32 LYS CG C 13 25.424 0.07 . . . . . . A 32 LYS CG . 34844 1 378 . 1 . 1 32 32 LYS CD C 13 29.639 0.05 . . . . . . A 32 LYS CD . 34844 1 379 . 1 . 1 32 32 LYS CE C 13 42.133 0.07 . . . . . . A 32 LYS CE . 34844 1 380 . 1 . 1 32 32 LYS N N 15 123.520 0.01 . . . . . . A 32 LYS N . 34844 1 381 . 1 . 1 33 33 LYS H H 1 8.913 0.00 . . . . . . A 33 LYS H . 34844 1 382 . 1 . 1 33 33 LYS HA H 1 4.447 0.00 . . . . . . A 33 LYS HA . 34844 1 383 . 1 . 1 33 33 LYS HB2 H 1 1.607 0.00 . . . . . . A 33 LYS HB2 . 34844 1 384 . 1 . 1 33 33 LYS HB3 H 1 1.817 0.00 . . . . . . A 33 LYS HB3 . 34844 1 385 . 1 . 1 33 33 LYS HG2 H 1 1.280 0.00 . . . . . . A 33 LYS HG2 . 34844 1 386 . 1 . 1 33 33 LYS HG3 H 1 1.403 0.00 . . . . . . A 33 LYS HG3 . 34844 1 387 . 1 . 1 33 33 LYS C C 13 175.284 0.00 . . . . . . A 33 LYS C . 34844 1 388 . 1 . 1 33 33 LYS CA C 13 55.998 0.13 . . . . . . A 33 LYS CA . 34844 1 389 . 1 . 1 33 33 LYS CB C 13 34.772 0.02 . . . . . . A 33 LYS CB . 34844 1 390 . 1 . 1 33 33 LYS CG C 13 25.106 0.00 . . . . . . A 33 LYS CG . 34844 1 391 . 1 . 1 33 33 LYS N N 15 126.695 0.01 . . . . . . A 33 LYS N . 34844 1 392 . 1 . 1 34 34 ASN H H 1 8.821 0.00 . . . . . . A 34 ASN H . 34844 1 393 . 1 . 1 34 34 ASN HA H 1 4.868 0.00 . . . . . . A 34 ASN HA . 34844 1 394 . 1 . 1 34 34 ASN HB2 H 1 2.692 0.01 . . . . . . A 34 ASN HB2 . 34844 1 395 . 1 . 1 34 34 ASN HB3 H 1 2.796 0.00 . . . . . . A 34 ASN HB3 . 34844 1 396 . 1 . 1 34 34 ASN C C 13 174.090 0.01 . . . . . . A 34 ASN C . 34844 1 397 . 1 . 1 34 34 ASN CA C 13 53.101 0.13 . . . . . . A 34 ASN CA . 34844 1 398 . 1 . 1 34 34 ASN CB C 13 39.477 0.04 . . . . . . A 34 ASN CB . 34844 1 399 . 1 . 1 34 34 ASN N N 15 123.561 0.03 . . . . . . A 34 ASN N . 34844 1 400 . 1 . 1 35 35 ASP H H 1 8.521 0.00 . . . . . . A 35 ASP H . 34844 1 401 . 1 . 1 35 35 ASP HA H 1 4.920 0.00 . . . . . . A 35 ASP HA . 34844 1 402 . 1 . 1 35 35 ASP HB2 H 1 2.403 0.00 . . . . . . A 35 ASP HB2 . 34844 1 403 . 1 . 1 35 35 ASP HB3 H 1 2.723 0.00 . . . . . . A 35 ASP HB3 . 34844 1 404 . 1 . 1 35 35 ASP C C 13 175.218 0.00 . . . . . . A 35 ASP C . 34844 1 405 . 1 . 1 35 35 ASP CA C 13 51.849 0.01 . . . . . . A 35 ASP CA . 34844 1 406 . 1 . 1 35 35 ASP CB C 13 42.498 0.01 . . . . . . A 35 ASP CB . 34844 1 407 . 1 . 1 35 35 ASP N N 15 124.184 0.01 . . . . . . A 35 ASP N . 34844 1 408 . 1 . 1 36 36 PRO HA H 1 4.374 0.00 . . . . . . A 36 PRO HA . 34844 1 409 . 1 . 1 36 36 PRO HB2 H 1 1.975 0.01 . . . . . . A 36 PRO HB2 . 34844 1 410 . 1 . 1 36 36 PRO HB3 H 1 2.305 0.00 . . . . . . A 36 PRO HB3 . 34844 1 411 . 1 . 1 36 36 PRO HG2 H 1 1.994 0.00 . . . . . . A 36 PRO HG2 . 34844 1 412 . 1 . 1 36 36 PRO HG3 H 1 1.994 0.00 . . . . . . A 36 PRO HG3 . 34844 1 413 . 1 . 1 36 36 PRO HD2 H 1 3.776 0.00 . . . . . . A 36 PRO HD2 . 34844 1 414 . 1 . 1 36 36 PRO HD3 H 1 3.835 0.00 . . . . . . A 36 PRO HD3 . 34844 1 415 . 1 . 1 36 36 PRO C C 13 176.987 0.00 . . . . . . A 36 PRO C . 34844 1 416 . 1 . 1 36 36 PRO CA C 13 64.319 0.07 . . . . . . A 36 PRO CA . 34844 1 417 . 1 . 1 36 36 PRO CB C 13 32.245 0.11 . . . . . . A 36 PRO CB . 34844 1 418 . 1 . 1 36 36 PRO CG C 13 27.188 0.10 . . . . . . A 36 PRO CG . 34844 1 419 . 1 . 1 36 36 PRO CD C 13 51.071 0.08 . . . . . . A 36 PRO CD . 34844 1 420 . 1 . 1 37 37 ASP H H 1 8.362 0.00 . . . . . . A 37 ASP H . 34844 1 421 . 1 . 1 37 37 ASP HA H 1 4.626 0.00 . . . . . . A 37 ASP HA . 34844 1 422 . 1 . 1 37 37 ASP HB2 H 1 2.581 0.00 . . . . . . A 37 ASP HB2 . 34844 1 423 . 1 . 1 37 37 ASP HB3 H 1 2.768 0.00 . . . . . . A 37 ASP HB3 . 34844 1 424 . 1 . 1 37 37 ASP C C 13 175.964 0.01 . . . . . . A 37 ASP C . 34844 1 425 . 1 . 1 37 37 ASP CA C 13 54.808 0.03 . . . . . . A 37 ASP CA . 34844 1 426 . 1 . 1 37 37 ASP CB C 13 41.450 0.06 . . . . . . A 37 ASP CB . 34844 1 427 . 1 . 1 37 37 ASP N N 15 117.722 0.05 . . . . . . A 37 ASP N . 34844 1 428 . 1 . 1 38 38 GLU H H 1 7.721 0.00 . . . . . . A 38 GLU H . 34844 1 429 . 1 . 1 38 38 GLU HA H 1 4.406 0.00 . . . . . . A 38 GLU HA . 34844 1 430 . 1 . 1 38 38 GLU HB2 H 1 1.694 0.00 . . . . . . A 38 GLU HB2 . 34844 1 431 . 1 . 1 38 38 GLU HB3 H 1 1.694 0.00 . . . . . . A 38 GLU HB3 . 34844 1 432 . 1 . 1 38 38 GLU HG2 H 1 2.059 0.00 . . . . . . A 38 GLU HG2 . 34844 1 433 . 1 . 1 38 38 GLU HG3 H 1 2.059 0.00 . . . . . . A 38 GLU HG3 . 34844 1 434 . 1 . 1 38 38 GLU C C 13 176.764 0.00 . . . . . . A 38 GLU C . 34844 1 435 . 1 . 1 38 38 GLU CA C 13 55.431 0.09 . . . . . . A 38 GLU CA . 34844 1 436 . 1 . 1 38 38 GLU CB C 13 30.720 0.06 . . . . . . A 38 GLU CB . 34844 1 437 . 1 . 1 38 38 GLU CG C 13 35.697 0.10 . . . . . . A 38 GLU CG . 34844 1 438 . 1 . 1 38 38 GLU N N 15 119.073 0.01 . . . . . . A 38 GLU N . 34844 1 439 . 1 . 1 39 39 VAL H H 1 8.622 0.00 . . . . . . A 39 VAL H . 34844 1 440 . 1 . 1 39 39 VAL HA H 1 4.073 0.00 . . . . . . A 39 VAL HA . 34844 1 441 . 1 . 1 39 39 VAL HB H 1 2.162 0.00 . . . . . . A 39 VAL HB . 34844 1 442 . 1 . 1 39 39 VAL HG11 H 1 0.820 0.00 . . . . . . A 39 VAL HG11 . 34844 1 443 . 1 . 1 39 39 VAL HG12 H 1 0.820 0.00 . . . . . . A 39 VAL HG12 . 34844 1 444 . 1 . 1 39 39 VAL HG13 H 1 0.820 0.00 . . . . . . A 39 VAL HG13 . 34844 1 445 . 1 . 1 39 39 VAL HG21 H 1 0.915 0.00 . . . . . . A 39 VAL HG21 . 34844 1 446 . 1 . 1 39 39 VAL HG22 H 1 0.915 0.00 . . . . . . A 39 VAL HG22 . 34844 1 447 . 1 . 1 39 39 VAL HG23 H 1 0.915 0.00 . . . . . . A 39 VAL HG23 . 34844 1 448 . 1 . 1 39 39 VAL C C 13 175.802 0.00 . . . . . . A 39 VAL C . 34844 1 449 . 1 . 1 39 39 VAL CA C 13 63.174 0.06 . . . . . . A 39 VAL CA . 34844 1 450 . 1 . 1 39 39 VAL CB C 13 31.950 0.08 . . . . . . A 39 VAL CB . 34844 1 451 . 1 . 1 39 39 VAL CG1 C 13 21.331 0.00 . . . . . . A 39 VAL CG1 . 34844 1 452 . 1 . 1 39 39 VAL CG2 C 13 20.334 0.00 . . . . . . A 39 VAL CG2 . 34844 1 453 . 1 . 1 39 39 VAL N N 15 118.162 0.01 . . . . . . A 39 VAL N . 34844 1 454 . 1 . 1 40 40 PHE H H 1 7.328 0.01 . . . . . . A 40 PHE H . 34844 1 455 . 1 . 1 40 40 PHE HA H 1 5.048 0.00 . . . . . . A 40 PHE HA . 34844 1 456 . 1 . 1 40 40 PHE HB2 H 1 3.130 0.00 . . . . . . A 40 PHE HB2 . 34844 1 457 . 1 . 1 40 40 PHE HB3 H 1 3.130 0.00 . . . . . . A 40 PHE HB3 . 34844 1 458 . 1 . 1 40 40 PHE HD1 H 1 7.165 0.00 . . . . . . A 40 PHE HD1 . 34844 1 459 . 1 . 1 40 40 PHE HD2 H 1 7.165 0.00 . . . . . . A 40 PHE HD2 . 34844 1 460 . 1 . 1 40 40 PHE HE1 H 1 7.336 0.00 . . . . . . A 40 PHE HE1 . 34844 1 461 . 1 . 1 40 40 PHE HE2 H 1 7.336 0.00 . . . . . . A 40 PHE HE2 . 34844 1 462 . 1 . 1 40 40 PHE HZ H 1 7.324 0.00 . . . . . . A 40 PHE HZ . 34844 1 463 . 1 . 1 40 40 PHE C C 13 174.732 0.01 . . . . . . A 40 PHE C . 34844 1 464 . 1 . 1 40 40 PHE CA C 13 55.542 0.02 . . . . . . A 40 PHE CA . 34844 1 465 . 1 . 1 40 40 PHE CB C 13 41.012 0.06 . . . . . . A 40 PHE CB . 34844 1 466 . 1 . 1 40 40 PHE CD1 C 13 132.930 0.00 . . . . . . A 40 PHE CD1 . 34844 1 467 . 1 . 1 40 40 PHE CE1 C 13 132.106 0.00 . . . . . . A 40 PHE CE1 . 34844 1 468 . 1 . 1 40 40 PHE CZ C 13 130.820 0.00 . . . . . . A 40 PHE CZ . 34844 1 469 . 1 . 1 40 40 PHE N N 15 117.046 0.01 . . . . . . A 40 PHE N . 34844 1 470 . 1 . 1 41 41 SER H H 1 8.887 0.00 . . . . . . A 41 SER H . 34844 1 471 . 1 . 1 41 41 SER HA H 1 4.850 0.01 . . . . . . A 41 SER HA . 34844 1 472 . 1 . 1 41 41 SER HB2 H 1 3.883 0.00 . . . . . . A 41 SER HB2 . 34844 1 473 . 1 . 1 41 41 SER HB3 H 1 3.946 0.00 . . . . . . A 41 SER HB3 . 34844 1 474 . 1 . 1 41 41 SER C C 13 173.139 0.01 . . . . . . A 41 SER C . 34844 1 475 . 1 . 1 41 41 SER CA C 13 57.989 0.05 . . . . . . A 41 SER CA . 34844 1 476 . 1 . 1 41 41 SER CB C 13 64.635 0.02 . . . . . . A 41 SER CB . 34844 1 477 . 1 . 1 41 41 SER N N 15 115.893 0.01 . . . . . . A 41 SER N . 34844 1 478 . 1 . 1 42 42 VAL H H 1 8.782 0.00 . . . . . . A 42 VAL H . 34844 1 479 . 1 . 1 42 42 VAL HA H 1 4.782 0.00 . . . . . . A 42 VAL HA . 34844 1 480 . 1 . 1 42 42 VAL HB H 1 1.977 0.00 . . . . . . A 42 VAL HB . 34844 1 481 . 1 . 1 42 42 VAL HG11 H 1 0.953 0.00 . . . . . . A 42 VAL HG11 . 34844 1 482 . 1 . 1 42 42 VAL HG12 H 1 0.953 0.00 . . . . . . A 42 VAL HG12 . 34844 1 483 . 1 . 1 42 42 VAL HG13 H 1 0.953 0.00 . . . . . . A 42 VAL HG13 . 34844 1 484 . 1 . 1 42 42 VAL HG21 H 1 1.041 0.00 . . . . . . A 42 VAL HG21 . 34844 1 485 . 1 . 1 42 42 VAL HG22 H 1 1.041 0.00 . . . . . . A 42 VAL HG22 . 34844 1 486 . 1 . 1 42 42 VAL HG23 H 1 1.041 0.00 . . . . . . A 42 VAL HG23 . 34844 1 487 . 1 . 1 42 42 VAL C C 13 175.311 0.00 . . . . . . A 42 VAL C . 34844 1 488 . 1 . 1 42 42 VAL CA C 13 62.078 0.07 . . . . . . A 42 VAL CA . 34844 1 489 . 1 . 1 42 42 VAL CB C 13 34.560 0.10 . . . . . . A 42 VAL CB . 34844 1 490 . 1 . 1 42 42 VAL CG1 C 13 21.994 0.00 . . . . . . A 42 VAL CG1 . 34844 1 491 . 1 . 1 42 42 VAL CG2 C 13 22.068 0.00 . . . . . . A 42 VAL CG2 . 34844 1 492 . 1 . 1 42 42 VAL N N 15 124.579 0.01 . . . . . . A 42 VAL N . 34844 1 493 . 1 . 1 43 43 ARG H H 1 9.545 0.00 . . . . . . A 43 ARG H . 34844 1 494 . 1 . 1 43 43 ARG HA H 1 5.437 0.00 . . . . . . A 43 ARG HA . 34844 1 495 . 1 . 1 43 43 ARG HB2 H 1 1.812 0.01 . . . . . . A 43 ARG HB2 . 34844 1 496 . 1 . 1 43 43 ARG HB3 H 1 1.812 0.01 . . . . . . A 43 ARG HB3 . 34844 1 497 . 1 . 1 43 43 ARG HG2 H 1 1.527 0.00 . . . . . . A 43 ARG HG2 . 34844 1 498 . 1 . 1 43 43 ARG HG3 H 1 1.573 0.00 . . . . . . A 43 ARG HG3 . 34844 1 499 . 1 . 1 43 43 ARG HD2 H 1 2.994 0.00 . . . . . . A 43 ARG HD2 . 34844 1 500 . 1 . 1 43 43 ARG HD3 H 1 2.994 0.00 . . . . . . A 43 ARG HD3 . 34844 1 501 . 1 . 1 43 43 ARG C C 13 174.940 0.00 . . . . . . A 43 ARG C . 34844 1 502 . 1 . 1 43 43 ARG CA C 13 51.952 0.05 . . . . . . A 43 ARG CA . 34844 1 503 . 1 . 1 43 43 ARG CB C 13 31.737 0.07 . . . . . . A 43 ARG CB . 34844 1 504 . 1 . 1 43 43 ARG CG C 13 26.839 0.08 . . . . . . A 43 ARG CG . 34844 1 505 . 1 . 1 43 43 ARG CD C 13 42.092 0.00 . . . . . . A 43 ARG CD . 34844 1 506 . 1 . 1 43 43 ARG N N 15 125.709 0.01 . . . . . . A 43 ARG N . 34844 1 507 . 1 . 1 44 44 ILE H H 1 8.460 0.01 . . . . . . A 44 ILE H . 34844 1 508 . 1 . 1 44 44 ILE HA H 1 5.503 0.00 . . . . . . A 44 ILE HA . 34844 1 509 . 1 . 1 44 44 ILE HB H 1 1.533 0.01 . . . . . . A 44 ILE HB . 34844 1 510 . 1 . 1 44 44 ILE HG12 H 1 0.862 0.01 . . . . . . A 44 ILE HG12 . 34844 1 511 . 1 . 1 44 44 ILE HG21 H 1 0.820 0.00 . . . . . . A 44 ILE HG21 . 34844 1 512 . 1 . 1 44 44 ILE HG22 H 1 0.820 0.00 . . . . . . A 44 ILE HG22 . 34844 1 513 . 1 . 1 44 44 ILE HG23 H 1 0.820 0.00 . . . . . . A 44 ILE HG23 . 34844 1 514 . 1 . 1 44 44 ILE HD11 H 1 0.806 0.00 . . . . . . A 44 ILE HD11 . 34844 1 515 . 1 . 1 44 44 ILE HD12 H 1 0.806 0.00 . . . . . . A 44 ILE HD12 . 34844 1 516 . 1 . 1 44 44 ILE HD13 H 1 0.806 0.00 . . . . . . A 44 ILE HD13 . 34844 1 517 . 1 . 1 44 44 ILE C C 13 174.657 0.01 . . . . . . A 44 ILE C . 34844 1 518 . 1 . 1 44 44 ILE CA C 13 58.897 0.09 . . . . . . A 44 ILE CA . 34844 1 519 . 1 . 1 44 44 ILE CB C 13 43.695 0.10 . . . . . . A 44 ILE CB . 34844 1 520 . 1 . 1 44 44 ILE CG1 C 13 28.084 0.03 . . . . . . A 44 ILE CG1 . 34844 1 521 . 1 . 1 44 44 ILE CG2 C 13 17.188 0.10 . . . . . . A 44 ILE CG2 . 34844 1 522 . 1 . 1 44 44 ILE CD1 C 13 14.807 0.12 . . . . . . A 44 ILE CD1 . 34844 1 523 . 1 . 1 44 44 ILE N N 15 119.219 0.01 . . . . . . A 44 ILE N . 34844 1 524 . 1 . 1 45 45 CYS H H 1 8.859 0.01 . . . . . . A 45 CYS H . 34844 1 525 . 1 . 1 45 45 CYS HA H 1 4.861 0.01 . . . . . . A 45 CYS HA . 34844 1 526 . 1 . 1 45 45 CYS HB2 H 1 2.720 0.00 . . . . . . A 45 CYS HB2 . 34844 1 527 . 1 . 1 45 45 CYS HB3 H 1 3.483 0.01 . . . . . . A 45 CYS HB3 . 34844 1 528 . 1 . 1 45 45 CYS C C 13 176.676 0.01 . . . . . . A 45 CYS C . 34844 1 529 . 1 . 1 45 45 CYS CA C 13 58.679 0.06 . . . . . . A 45 CYS CA . 34844 1 530 . 1 . 1 45 45 CYS CB C 13 31.041 0.08 . . . . . . A 45 CYS CB . 34844 1 531 . 1 . 1 45 45 CYS N N 15 128.517 0.00 . . . . . . A 45 CYS N . 34844 1 532 . 1 . 1 46 46 ALA H H 1 9.071 0.00 . . . . . . A 46 ALA H . 34844 1 533 . 1 . 1 46 46 ALA HA H 1 4.156 0.01 . . . . . . A 46 ALA HA . 34844 1 534 . 1 . 1 46 46 ALA HB1 H 1 1.477 0.01 . . . . . . A 46 ALA HB1 . 34844 1 535 . 1 . 1 46 46 ALA HB2 H 1 1.477 0.01 . . . . . . A 46 ALA HB2 . 34844 1 536 . 1 . 1 46 46 ALA HB3 H 1 1.477 0.01 . . . . . . A 46 ALA HB3 . 34844 1 537 . 1 . 1 46 46 ALA C C 13 177.534 0.00 . . . . . . A 46 ALA C . 34844 1 538 . 1 . 1 46 46 ALA CA C 13 54.102 0.09 . . . . . . A 46 ALA CA . 34844 1 539 . 1 . 1 46 46 ALA CB C 13 19.191 0.07 . . . . . . A 46 ALA CB . 34844 1 540 . 1 . 1 46 46 ALA N N 15 132.268 0.00 . . . . . . A 46 ALA N . 34844 1 541 . 1 . 1 47 47 ASP H H 1 8.841 0.00 . . . . . . A 47 ASP H . 34844 1 542 . 1 . 1 47 47 ASP HA H 1 4.701 0.01 . . . . . . A 47 ASP HA . 34844 1 543 . 1 . 1 47 47 ASP HB2 H 1 2.756 0.00 . . . . . . A 47 ASP HB2 . 34844 1 544 . 1 . 1 47 47 ASP HB3 H 1 3.296 0.00 . . . . . . A 47 ASP HB3 . 34844 1 545 . 1 . 1 47 47 ASP C C 13 177.254 0.00 . . . . . . A 47 ASP C . 34844 1 546 . 1 . 1 47 47 ASP CA C 13 56.720 0.11 . . . . . . A 47 ASP CA . 34844 1 547 . 1 . 1 47 47 ASP CB C 13 42.363 0.07 . . . . . . A 47 ASP CB . 34844 1 548 . 1 . 1 47 47 ASP N N 15 121.080 0.01 . . . . . . A 47 ASP N . 34844 1 549 . 1 . 1 48 48 CYS H H 1 8.498 0.01 . . . . . . A 48 CYS H . 34844 1 550 . 1 . 1 48 48 CYS HA H 1 4.659 0.00 . . . . . . A 48 CYS HA . 34844 1 551 . 1 . 1 48 48 CYS HB2 H 1 2.747 0.00 . . . . . . A 48 CYS HB2 . 34844 1 552 . 1 . 1 48 48 CYS HB3 H 1 3.081 0.00 . . . . . . A 48 CYS HB3 . 34844 1 553 . 1 . 1 48 48 CYS C C 13 177.602 0.00 . . . . . . A 48 CYS C . 34844 1 554 . 1 . 1 48 48 CYS CA C 13 59.847 0.07 . . . . . . A 48 CYS CA . 34844 1 555 . 1 . 1 48 48 CYS CB C 13 31.535 0.06 . . . . . . A 48 CYS CB . 34844 1 556 . 1 . 1 48 48 CYS N N 15 118.715 0.01 . . . . . . A 48 CYS N . 34844 1 557 . 1 . 1 49 49 GLY H H 1 8.061 0.00 . . . . . . A 49 GLY H . 34844 1 558 . 1 . 1 49 49 GLY HA2 H 1 3.835 0.00 . . . . . . A 49 GLY HA2 . 34844 1 559 . 1 . 1 49 49 GLY HA3 H 1 4.048 0.00 . . . . . . A 49 GLY HA3 . 34844 1 560 . 1 . 1 49 49 GLY C C 13 174.325 0.01 . . . . . . A 49 GLY C . 34844 1 561 . 1 . 1 49 49 GLY CA C 13 46.262 0.02 . . . . . . A 49 GLY CA . 34844 1 562 . 1 . 1 49 49 GLY N N 15 112.988 0.02 . . . . . . A 49 GLY N . 34844 1 563 . 1 . 1 50 50 ARG H H 1 8.094 0.00 . . . . . . A 50 ARG H . 34844 1 564 . 1 . 1 50 50 ARG HA H 1 3.847 0.00 . . . . . . A 50 ARG HA . 34844 1 565 . 1 . 1 50 50 ARG HB2 H 1 0.638 0.00 . . . . . . A 50 ARG HB2 . 34844 1 566 . 1 . 1 50 50 ARG HB3 H 1 1.487 0.00 . . . . . . A 50 ARG HB3 . 34844 1 567 . 1 . 1 50 50 ARG HG2 H 1 1.219 0.00 . . . . . . A 50 ARG HG2 . 34844 1 568 . 1 . 1 50 50 ARG HG3 H 1 1.752 0.00 . . . . . . A 50 ARG HG3 . 34844 1 569 . 1 . 1 50 50 ARG HD2 H 1 3.130 0.00 . . . . . . A 50 ARG HD2 . 34844 1 570 . 1 . 1 50 50 ARG HD3 H 1 3.160 0.00 . . . . . . A 50 ARG HD3 . 34844 1 571 . 1 . 1 50 50 ARG C C 13 173.250 0.01 . . . . . . A 50 ARG C . 34844 1 572 . 1 . 1 50 50 ARG CA C 13 57.776 0.06 . . . . . . A 50 ARG CA . 34844 1 573 . 1 . 1 50 50 ARG CB C 13 32.595 0.04 . . . . . . A 50 ARG CB . 34844 1 574 . 1 . 1 50 50 ARG CG C 13 29.388 0.03 . . . . . . A 50 ARG CG . 34844 1 575 . 1 . 1 50 50 ARG CD C 13 44.271 0.03 . . . . . . A 50 ARG CD . 34844 1 576 . 1 . 1 50 50 ARG N N 15 122.526 0.02 . . . . . . A 50 ARG N . 34844 1 577 . 1 . 1 51 51 GLU H H 1 6.974 0.00 . . . . . . A 51 GLU H . 34844 1 578 . 1 . 1 51 51 GLU HA H 1 5.192 0.00 . . . . . . A 51 GLU HA . 34844 1 579 . 1 . 1 51 51 GLU HB2 H 1 1.588 0.00 . . . . . . A 51 GLU HB2 . 34844 1 580 . 1 . 1 51 51 GLU HB3 H 1 1.794 0.01 . . . . . . A 51 GLU HB3 . 34844 1 581 . 1 . 1 51 51 GLU HG2 H 1 1.903 0.00 . . . . . . A 51 GLU HG2 . 34844 1 582 . 1 . 1 51 51 GLU HG3 H 1 2.165 0.00 . . . . . . A 51 GLU HG3 . 34844 1 583 . 1 . 1 51 51 GLU C C 13 175.007 0.00 . . . . . . A 51 GLU C . 34844 1 584 . 1 . 1 51 51 GLU CA C 13 54.076 0.07 . . . . . . A 51 GLU CA . 34844 1 585 . 1 . 1 51 51 GLU CB C 13 34.048 0.04 . . . . . . A 51 GLU CB . 34844 1 586 . 1 . 1 51 51 GLU CG C 13 36.232 0.09 . . . . . . A 51 GLU CG . 34844 1 587 . 1 . 1 51 51 GLU N N 15 115.498 0.01 . . . . . . A 51 GLU N . 34844 1 588 . 1 . 1 52 52 TRP H H 1 9.235 0.00 . . . . . . A 52 TRP H . 34844 1 589 . 1 . 1 52 52 TRP HA H 1 5.061 0.00 . . . . . . A 52 TRP HA . 34844 1 590 . 1 . 1 52 52 TRP HB2 H 1 2.681 0.00 . . . . . . A 52 TRP HB2 . 34844 1 591 . 1 . 1 52 52 TRP HB3 H 1 2.768 0.00 . . . . . . A 52 TRP HB3 . 34844 1 592 . 1 . 1 52 52 TRP HD1 H 1 6.759 0.00 . . . . . . A 52 TRP HD1 . 34844 1 593 . 1 . 1 52 52 TRP HE1 H 1 10.590 0.00 . . . . . . A 52 TRP HE1 . 34844 1 594 . 1 . 1 52 52 TRP HE3 H 1 7.431 0.00 . . . . . . A 52 TRP HE3 . 34844 1 595 . 1 . 1 52 52 TRP HZ2 H 1 7.240 0.00 . . . . . . A 52 TRP HZ2 . 34844 1 596 . 1 . 1 52 52 TRP HZ3 H 1 6.697 0.00 . . . . . . A 52 TRP HZ3 . 34844 1 597 . 1 . 1 52 52 TRP HH2 H 1 7.177 0.00 . . . . . . A 52 TRP HH2 . 34844 1 598 . 1 . 1 52 52 TRP C C 13 174.745 0.01 . . . . . . A 52 TRP C . 34844 1 599 . 1 . 1 52 52 TRP CA C 13 57.690 0.02 . . . . . . A 52 TRP CA . 34844 1 600 . 1 . 1 52 52 TRP CB C 13 35.288 0.06 . . . . . . A 52 TRP CB . 34844 1 601 . 1 . 1 52 52 TRP CD1 C 13 125.859 0.00 . . . . . . A 52 TRP CD1 . 34844 1 602 . 1 . 1 52 52 TRP CE3 C 13 122.086 0.00 . . . . . . A 52 TRP CE3 . 34844 1 603 . 1 . 1 52 52 TRP CZ2 C 13 114.422 0.00 . . . . . . A 52 TRP CZ2 . 34844 1 604 . 1 . 1 52 52 TRP CZ3 C 13 123.724 0.00 . . . . . . A 52 TRP CZ3 . 34844 1 605 . 1 . 1 52 52 TRP CH2 C 13 126.024 0.00 . . . . . . A 52 TRP CH2 . 34844 1 606 . 1 . 1 52 52 TRP N N 15 120.113 0.01 . . . . . . A 52 TRP N . 34844 1 607 . 1 . 1 52 52 TRP NE1 N 15 127.016 0.00 . . . . . . A 52 TRP NE1 . 34844 1 608 . 1 . 1 53 53 LYS H H 1 9.049 0.00 . . . . . . A 53 LYS H . 34844 1 609 . 1 . 1 53 53 LYS HA H 1 4.890 0.00 . . . . . . A 53 LYS HA . 34844 1 610 . 1 . 1 53 53 LYS HB2 H 1 1.538 0.00 . . . . . . A 53 LYS HB2 . 34844 1 611 . 1 . 1 53 53 LYS HB3 H 1 1.538 0.00 . . . . . . A 53 LYS HB3 . 34844 1 612 . 1 . 1 53 53 LYS HG2 H 1 1.061 0.01 . . . . . . A 53 LYS HG2 . 34844 1 613 . 1 . 1 53 53 LYS HG3 H 1 1.061 0.01 . . . . . . A 53 LYS HG3 . 34844 1 614 . 1 . 1 53 53 LYS HD2 H 1 1.043 0.00 . . . . . . A 53 LYS HD2 . 34844 1 615 . 1 . 1 53 53 LYS HD3 H 1 1.115 0.00 . . . . . . A 53 LYS HD3 . 34844 1 616 . 1 . 1 53 53 LYS HE2 H 1 2.268 0.00 . . . . . . A 53 LYS HE2 . 34844 1 617 . 1 . 1 53 53 LYS HE3 H 1 2.313 0.00 . . . . . . A 53 LYS HE3 . 34844 1 618 . 1 . 1 53 53 LYS C C 13 175.186 0.03 . . . . . . A 53 LYS C . 34844 1 619 . 1 . 1 53 53 LYS CA C 13 55.390 0.10 . . . . . . A 53 LYS CA . 34844 1 620 . 1 . 1 53 53 LYS CB C 13 34.803 0.07 . . . . . . A 53 LYS CB . 34844 1 621 . 1 . 1 53 53 LYS CG C 13 24.810 0.09 . . . . . . A 53 LYS CG . 34844 1 622 . 1 . 1 53 53 LYS CD C 13 29.568 0.06 . . . . . . A 53 LYS CD . 34844 1 623 . 1 . 1 53 53 LYS CE C 13 41.549 0.05 . . . . . . A 53 LYS CE . 34844 1 624 . 1 . 1 53 53 LYS N N 15 121.436 0.01 . . . . . . A 53 LYS N . 34844 1 625 . 1 . 1 54 54 GLU H H 1 9.117 0.00 . . . . . . A 54 GLU H . 34844 1 626 . 1 . 1 54 54 GLU HA H 1 4.807 0.01 . . . . . . A 54 GLU HA . 34844 1 627 . 1 . 1 54 54 GLU HB2 H 1 1.757 0.00 . . . . . . A 54 GLU HB2 . 34844 1 628 . 1 . 1 54 54 GLU HB3 H 1 2.160 0.00 . . . . . . A 54 GLU HB3 . 34844 1 629 . 1 . 1 54 54 GLU HG2 H 1 2.143 0.00 . . . . . . A 54 GLU HG2 . 34844 1 630 . 1 . 1 54 54 GLU HG3 H 1 2.175 0.00 . . . . . . A 54 GLU HG3 . 34844 1 631 . 1 . 1 54 54 GLU C C 13 175.259 0.00 . . . . . . A 54 GLU C . 34844 1 632 . 1 . 1 54 54 GLU CA C 13 55.321 0.09 . . . . . . A 54 GLU CA . 34844 1 633 . 1 . 1 54 54 GLU CB C 13 31.897 0.06 . . . . . . A 54 GLU CB . 34844 1 634 . 1 . 1 54 54 GLU CG C 13 36.661 0.08 . . . . . . A 54 GLU CG . 34844 1 635 . 1 . 1 54 54 GLU N N 15 127.093 0.02 . . . . . . A 54 GLU N . 34844 1 636 . 1 . 1 55 55 LEU H H 1 8.493 0.00 . . . . . . A 55 LEU H . 34844 1 637 . 1 . 1 55 55 LEU HA H 1 4.430 0.01 . . . . . . A 55 LEU HA . 34844 1 638 . 1 . 1 55 55 LEU HB2 H 1 1.691 0.00 . . . . . . A 55 LEU HB2 . 34844 1 639 . 1 . 1 55 55 LEU HB3 H 1 1.691 0.00 . . . . . . A 55 LEU HB3 . 34844 1 640 . 1 . 1 55 55 LEU HG H 1 1.714 0.00 . . . . . . A 55 LEU HG . 34844 1 641 . 1 . 1 55 55 LEU HD11 H 1 0.874 0.00 . . . . . . A 55 LEU HD11 . 34844 1 642 . 1 . 1 55 55 LEU HD12 H 1 0.874 0.00 . . . . . . A 55 LEU HD12 . 34844 1 643 . 1 . 1 55 55 LEU HD13 H 1 0.874 0.00 . . . . . . A 55 LEU HD13 . 34844 1 644 . 1 . 1 55 55 LEU HD21 H 1 0.969 0.00 . . . . . . A 55 LEU HD21 . 34844 1 645 . 1 . 1 55 55 LEU HD22 H 1 0.969 0.00 . . . . . . A 55 LEU HD22 . 34844 1 646 . 1 . 1 55 55 LEU HD23 H 1 0.969 0.00 . . . . . . A 55 LEU HD23 . 34844 1 647 . 1 . 1 55 55 LEU C C 13 176.473 0.00 . . . . . . A 55 LEU C . 34844 1 648 . 1 . 1 55 55 LEU CA C 13 55.578 0.10 . . . . . . A 55 LEU CA . 34844 1 649 . 1 . 1 55 55 LEU CB C 13 42.377 0.09 . . . . . . A 55 LEU CB . 34844 1 650 . 1 . 1 55 55 LEU CG C 13 27.486 0.10 . . . . . . A 55 LEU CG . 34844 1 651 . 1 . 1 55 55 LEU CD1 C 13 23.833 0.10 . . . . . . A 55 LEU CD1 . 34844 1 652 . 1 . 1 55 55 LEU CD2 C 13 25.344 0.04 . . . . . . A 55 LEU CD2 . 34844 1 653 . 1 . 1 55 55 LEU N N 15 128.210 0.01 . . . . . . A 55 LEU N . 34844 1 654 . 1 . 1 56 56 ARG H H 1 8.039 0.00 . . . . . . A 56 ARG H . 34844 1 655 . 1 . 1 56 56 ARG HA H 1 4.149 0.00 . . . . . . A 56 ARG HA . 34844 1 656 . 1 . 1 56 56 ARG HB2 H 1 1.722 0.00 . . . . . . A 56 ARG HB2 . 34844 1 657 . 1 . 1 56 56 ARG HB3 H 1 1.860 0.00 . . . . . . A 56 ARG HB3 . 34844 1 658 . 1 . 1 56 56 ARG HG2 H 1 1.620 0.00 . . . . . . A 56 ARG HG2 . 34844 1 659 . 1 . 1 56 56 ARG HG3 H 1 1.620 0.00 . . . . . . A 56 ARG HG3 . 34844 1 660 . 1 . 1 56 56 ARG HD2 H 1 3.203 0.00 . . . . . . A 56 ARG HD2 . 34844 1 661 . 1 . 1 56 56 ARG HD3 H 1 3.203 0.00 . . . . . . A 56 ARG HD3 . 34844 1 662 . 1 . 1 56 56 ARG C C 13 172.242 0.00 . . . . . . A 56 ARG C . 34844 1 663 . 1 . 1 56 56 ARG CA C 13 57.935 0.05 . . . . . . A 56 ARG CA . 34844 1 664 . 1 . 1 56 56 ARG CB C 13 31.430 0.00 . . . . . . A 56 ARG CB . 34844 1 665 . 1 . 1 56 56 ARG CG C 13 27.642 0.00 . . . . . . A 56 ARG CG . 34844 1 666 . 1 . 1 56 56 ARG CD C 13 43.591 0.00 . . . . . . A 56 ARG CD . 34844 1 667 . 1 . 1 56 56 ARG N N 15 127.181 0.01 . . . . . . A 56 ARG N . 34844 1 stop_ save_