data_26689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26689 _Entry.Title ; The chemical shifts (partial) of E. coli DnaC N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-12 _Entry.Accession_date 2015-10-12 _Entry.Last_release_date 2015-10-13 _Entry.Original_release_date 2015-10-13 _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 _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 Koji Nagata . . . . 26689 2 Shoichiro Horita . . . . 26689 3 Tsutomu Katayama . . . . 26689 4 Tadashi Ueda . . . . 26689 5 Masaru Tanokura . . . . 26689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 193 26689 '15N chemical shifts' 50 26689 '1H chemical shifts' 301 26689 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 . . 2021-07-27 . original BMRB . 26689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26689 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31665315 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Crystal structure of the complex of the interaction domains of Escherichia coli DnaB helicase and DnaC helicase loader: structural basis implying a distortion-accumulation mechanism for the DnaB ring opening caused by DnaC binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full 'Journal of biochemistry' _Citation.Journal_volume 167 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1756-2651 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1 _Citation.Page_last 14 _Citation.Year 2020 _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 Koji Nagata K. . . . 26689 1 2 Akitoshi Okada A. . . . 26689 1 3 Jun Ohtsuka J. . . . 26689 1 4 Takatoshi Ohkuri T. . . . 26689 1 5 Yusuke Akama Y. . . . 26689 1 6 Yukari Sakiyama Y. . . . 26689 1 7 Erika Miyazaki E. . . . 26689 1 8 Shoichiro Horita S. . . . 26689 1 9 Tsutomu Katayama T. . . . 26689 1 10 Tadashi Ueda T. . . . 26689 1 11 Masaru Tanokura M. . . . 26689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26689 _Assembly.ID 1 _Assembly.Name 'DnaC NTD monomer' _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 'DnaC NTD' 1 $DnaC_NTD A . yes native no no . . . 26689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaC_NTD _Entity.Sf_category entity _Entity.Sf_framecode DnaC_NTD _Entity.Entry_ID 26689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DnaC_NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKNVGDLMQRLQKMMPAHIK PAFKTGEELLAWQKEQGAIR SAALERENRAMK ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 26689 1 2 . LYS . 26689 1 3 . ASN . 26689 1 4 . VAL . 26689 1 5 . GLY . 26689 1 6 . ASP . 26689 1 7 . LEU . 26689 1 8 . MET . 26689 1 9 . GLN . 26689 1 10 . ARG . 26689 1 11 . LEU . 26689 1 12 . GLN . 26689 1 13 . LYS . 26689 1 14 . MET . 26689 1 15 . MET . 26689 1 16 . PRO . 26689 1 17 . ALA . 26689 1 18 . HIS . 26689 1 19 . ILE . 26689 1 20 . LYS . 26689 1 21 . PRO . 26689 1 22 . ALA . 26689 1 23 . PHE . 26689 1 24 . LYS . 26689 1 25 . THR . 26689 1 26 . GLY . 26689 1 27 . GLU . 26689 1 28 . GLU . 26689 1 29 . LEU . 26689 1 30 . LEU . 26689 1 31 . ALA . 26689 1 32 . TRP . 26689 1 33 . GLN . 26689 1 34 . LYS . 26689 1 35 . GLU . 26689 1 36 . GLN . 26689 1 37 . GLY . 26689 1 38 . ALA . 26689 1 39 . ILE . 26689 1 40 . ARG . 26689 1 41 . SER . 26689 1 42 . ALA . 26689 1 43 . ALA . 26689 1 44 . LEU . 26689 1 45 . GLU . 26689 1 46 . ARG . 26689 1 47 . GLU . 26689 1 48 . ASN . 26689 1 49 . ARG . 26689 1 50 . ALA . 26689 1 51 . MET . 26689 1 52 . LYS . 26689 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 26689 1 . LYS 2 2 26689 1 . ASN 3 3 26689 1 . VAL 4 4 26689 1 . GLY 5 5 26689 1 . ASP 6 6 26689 1 . LEU 7 7 26689 1 . MET 8 8 26689 1 . GLN 9 9 26689 1 . ARG 10 10 26689 1 . LEU 11 11 26689 1 . GLN 12 12 26689 1 . LYS 13 13 26689 1 . MET 14 14 26689 1 . MET 15 15 26689 1 . PRO 16 16 26689 1 . ALA 17 17 26689 1 . HIS 18 18 26689 1 . ILE 19 19 26689 1 . LYS 20 20 26689 1 . PRO 21 21 26689 1 . ALA 22 22 26689 1 . PHE 23 23 26689 1 . LYS 24 24 26689 1 . THR 25 25 26689 1 . GLY 26 26 26689 1 . GLU 27 27 26689 1 . GLU 28 28 26689 1 . LEU 29 29 26689 1 . LEU 30 30 26689 1 . ALA 31 31 26689 1 . TRP 32 32 26689 1 . GLN 33 33 26689 1 . LYS 34 34 26689 1 . GLU 35 35 26689 1 . GLN 36 36 26689 1 . GLY 37 37 26689 1 . ALA 38 38 26689 1 . ILE 39 39 26689 1 . ARG 40 40 26689 1 . SER 41 41 26689 1 . ALA 42 42 26689 1 . ALA 43 43 26689 1 . LEU 44 44 26689 1 . GLU 45 45 26689 1 . ARG 46 46 26689 1 . GLU 47 47 26689 1 . ASN 48 48 26689 1 . ARG 49 49 26689 1 . ALA 50 50 26689 1 . MET 51 51 26689 1 . LYS 52 52 26689 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 26689 _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 $DnaC_NTD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26689 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 26689 _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 $DnaC_NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 26689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26689 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'DnaC NTD' 'natural abundance' . . 1 $DnaC_NTD . . 0.5 . . mM . . . . 26689 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26689 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 26689 1 4 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26689 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 26689 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26689 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'DnaC NTD' '[U-99% 15N]' . . 1 $DnaC_NTD . . 0.5 . . mM . . . . 26689 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26689 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 26689 2 4 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26689 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 26689 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26689 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'DnaC NTD' '[U-99% 13C; U-99% 15N]' . . 1 $DnaC_NTD . . 0.5 . . mM . . . . 26689 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26689 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 26689 3 4 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26689 3 5 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 26689 3 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 26689 _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' 0.12 . M 26689 1 pH 6.0 . pH 26689 1 pressure 1 . atm 26689 1 temperature 273 . K 26689 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 26689 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26689 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26689 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26689 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26689 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26689 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26689 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26689 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26689 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26689 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26689 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26689 4 'peak picking' . 26689 4 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 26689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26689 _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 spectrometer_1 Varian INOVA . 600 . . . 26689 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 26689 _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 DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 7 '3D HNCA' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 9 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 10 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 13 '3D C(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 14 '3D H(CCO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 15 '3D HCCH-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26689 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26689 _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 internal indirect 0.251 . . . . . 26689 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26689 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101 . . . . . 26689 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 26689 _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 $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 4 '2D 1H-15N HSQC' . . . 26689 1 6 '3D HN(CO)CA' . . . 26689 1 7 '3D HNCA' . . . 26689 1 8 '3D CBCA(CO)NH' . . . 26689 1 9 '3D HNCACB' . . . 26689 1 10 '3D HNCO' . . . 26689 1 11 '2D 1H-15N HSQC' . . . 26689 1 12 '2D 1H-13C HSQC' . . . 26689 1 13 '3D C(CO)NH' . . . 26689 1 14 '3D H(CCO)NH' . . . 26689 1 15 '3D HCCH-COSY' . . . 26689 1 16 '3D HCCH-TOCSY' . . . 26689 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 H H 1 7.944 . . . . . . . . 1 MET H . 26689 1 2 . 1 . 1 1 1 MET HA H 1 4.429 . . . . . . . . 1 MET HA . 26689 1 3 . 1 . 1 1 1 MET HB2 H 1 2.091 . . . . . . . . 1 MET HB2 . 26689 1 4 . 1 . 1 1 1 MET HB3 H 1 1.996 . . . . . . . . 1 MET HB3 . 26689 1 5 . 1 . 1 1 1 MET HG2 H 1 2.606 . . . . . . . . 1 MET HG2 . 26689 1 6 . 1 . 1 1 1 MET HG3 H 1 2.524 . . . . . . . . 1 MET HG3 . 26689 1 7 . 1 . 1 1 1 MET C C 13 175.296 . . . . . . . . 1 MET C . 26689 1 8 . 1 . 1 1 1 MET CA C 13 55.294 . . . . . . . . 1 MET CA . 26689 1 9 . 1 . 1 1 1 MET CB C 13 32.490 . . . . . . . . 1 MET CB . 26689 1 10 . 1 . 1 1 1 MET N N 15 127.547 . . . . . . . . 1 MET N . 26689 1 11 . 1 . 1 2 2 LYS H H 1 7.938 . . . . . . . . 2 LYS H . 26689 1 12 . 1 . 1 2 2 LYS HA H 1 4.033 . . . . . . . . 2 LYS HA . 26689 1 13 . 1 . 1 2 2 LYS HB2 H 1 1.753 . . . . . . . . 2 LYS QB . 26689 1 14 . 1 . 1 2 2 LYS HB3 H 1 1.753 . . . . . . . . 2 LYS QB . 26689 1 15 . 1 . 1 2 2 LYS HG2 H 1 1.374 . . . . . . . . 2 LYS QG . 26689 1 16 . 1 . 1 2 2 LYS HG3 H 1 1.374 . . . . . . . . 2 LYS QG . 26689 1 17 . 1 . 1 2 2 LYS HD2 H 1 1.668 . . . . . . . . 2 LYS QD . 26689 1 18 . 1 . 1 2 2 LYS HD3 H 1 1.668 . . . . . . . . 2 LYS QD . 26689 1 19 . 1 . 1 2 2 LYS HE2 H 1 2.947 . . . . . . . . 2 LYS HE2 . 26689 1 20 . 1 . 1 2 2 LYS HE3 H 1 2.821 . . . . . . . . 2 LYS HE3 . 26689 1 21 . 1 . 1 2 2 LYS C C 13 175.673 . . . . . . . . 2 LYS C . 26689 1 22 . 1 . 1 2 2 LYS CA C 13 56.416 . . . . . . . . 2 LYS CA . 26689 1 23 . 1 . 1 2 2 LYS CB C 13 33.282 . . . . . . . . 2 LYS CB . 26689 1 24 . 1 . 1 2 2 LYS CG C 13 24.527 . . . . . . . . 2 LYS CG . 26689 1 25 . 1 . 1 2 2 LYS CD C 13 29.232 . . . . . . . . 2 LYS CD . 26689 1 26 . 1 . 1 2 2 LYS CE C 13 42.035 . . . . . . . . 2 LYS CE . 26689 1 27 . 1 . 1 2 2 LYS N N 15 127.591 . . . . . . . . 2 LYS N . 26689 1 28 . 1 . 1 3 3 ASN H H 1 8.744 . . . . . . . . 3 ASN H . 26689 1 29 . 1 . 1 3 3 ASN HA H 1 4.701 . . . . . . . . 3 ASN HA . 26689 1 30 . 1 . 1 3 3 ASN HB2 H 1 2.768 . . . . . . . . 3 ASN HB2 . 26689 1 31 . 1 . 1 3 3 ASN HB3 H 1 2.785 . . . . . . . . 3 ASN HB3 . 26689 1 32 . 1 . 1 3 3 ASN C C 13 174.763 . . . . . . . . 3 ASN C . 26689 1 33 . 1 . 1 3 3 ASN CA C 13 45.504 . . . . . . . . 3 ASN CA . 26689 1 34 . 1 . 1 3 3 ASN CB C 13 38.910 . . . . . . . . 3 ASN CB . 26689 1 35 . 1 . 1 3 3 ASN N N 15 121.382 . . . . . . . . 3 ASN N . 26689 1 36 . 1 . 1 4 4 VAL H H 1 8.348 . . . . . . . . 4 VAL H . 26689 1 37 . 1 . 1 4 4 VAL HA H 1 4.089 . . . . . . . . 4 VAL HA . 26689 1 38 . 1 . 1 4 4 VAL HB H 1 2.118 . . . . . . . . 4 VAL HB . 26689 1 39 . 1 . 1 4 4 VAL HG11 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 40 . 1 . 1 4 4 VAL HG12 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 41 . 1 . 1 4 4 VAL HG13 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 42 . 1 . 1 4 4 VAL HG21 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 43 . 1 . 1 4 4 VAL HG22 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 44 . 1 . 1 4 4 VAL HG23 H 1 0.929 . . . . . . . . 4 VAL QG . 26689 1 45 . 1 . 1 4 4 VAL C C 13 176.748 . . . . . . . . 4 VAL C . 26689 1 46 . 1 . 1 4 4 VAL CA C 13 62.796 . . . . . . . . 4 VAL CA . 26689 1 47 . 1 . 1 4 4 VAL CB C 13 32.630 . . . . . . . . 4 VAL CB . 26689 1 48 . 1 . 1 4 4 VAL CG1 C 13 20.498 . . . . . . . . 4 VAL CG# . 26689 1 49 . 1 . 1 4 4 VAL CG2 C 13 20.498 . . . . . . . . 4 VAL CG# . 26689 1 50 . 1 . 1 4 4 VAL N N 15 120.739 . . . . . . . . 4 VAL N . 26689 1 51 . 1 . 1 5 5 GLY H H 1 8.527 . . . . . . . . 5 GLY H . 26689 1 52 . 1 . 1 5 5 GLY HA2 H 1 3.917 . . . . . . . . 5 GLY QA . 26689 1 53 . 1 . 1 5 5 GLY HA3 H 1 3.917 . . . . . . . . 5 GLY QA . 26689 1 54 . 1 . 1 5 5 GLY C C 13 178.098 . . . . . . . . 5 GLY C . 26689 1 55 . 1 . 1 5 5 GLY CA C 13 45.364 . . . . . . . . 5 GLY CA . 26689 1 56 . 1 . 1 5 5 GLY N N 15 111.759 . . . . . . . . 5 GLY N . 26689 1 57 . 1 . 1 6 6 ASP H H 1 8.185 . . . . . . . . 6 ASP H . 26689 1 58 . 1 . 1 6 6 ASP HA H 1 4.537 . . . . . . . . 6 ASP HA . 26689 1 59 . 1 . 1 6 6 ASP HB2 H 1 2.668 . . . . . . . . 6 ASP QB . 26689 1 60 . 1 . 1 6 6 ASP HB3 H 1 2.668 . . . . . . . . 6 ASP QB . 26689 1 61 . 1 . 1 6 6 ASP C C 13 176.929 . . . . . . . . 6 ASP C . 26689 1 62 . 1 . 1 6 6 ASP CA C 13 54.628 . . . . . . . . 6 ASP CA . 26689 1 63 . 1 . 1 6 6 ASP CB C 13 41.143 . . . . . . . . 6 ASP CB . 26689 1 64 . 1 . 1 6 6 ASP N N 15 120.716 . . . . . . . . 6 ASP N . 26689 1 65 . 1 . 1 7 7 LEU H H 1 8.234 . . . . . . . . 7 LEU H . 26689 1 66 . 1 . 1 7 7 LEU HA H 1 4.172 . . . . . . . . 7 LEU HA . 26689 1 67 . 1 . 1 7 7 LEU HB2 H 1 1.631 . . . . . . . . 7 LEU QB . 26689 1 68 . 1 . 1 7 7 LEU HB3 H 1 1.631 . . . . . . . . 7 LEU QB . 26689 1 69 . 1 . 1 7 7 LEU HD11 H 1 0.896 . . . . . . . . 7 LEU QD1 . 26689 1 70 . 1 . 1 7 7 LEU HD12 H 1 0.896 . . . . . . . . 7 LEU QD1 . 26689 1 71 . 1 . 1 7 7 LEU HD13 H 1 0.896 . . . . . . . . 7 LEU QD1 . 26689 1 72 . 1 . 1 7 7 LEU HD21 H 1 0.837 . . . . . . . . 7 LEU QD2 . 26689 1 73 . 1 . 1 7 7 LEU HD22 H 1 0.837 . . . . . . . . 7 LEU QD2 . 26689 1 74 . 1 . 1 7 7 LEU HD23 H 1 0.837 . . . . . . . . 7 LEU QD2 . 26689 1 75 . 1 . 1 7 7 LEU C C 13 178.104 . . . . . . . . 7 LEU C . 26689 1 76 . 1 . 1 7 7 LEU CA C 13 56.231 . . . . . . . . 7 LEU CA . 26689 1 77 . 1 . 1 7 7 LEU CB C 13 41.957 . . . . . . . . 7 LEU CB . 26689 1 78 . 1 . 1 7 7 LEU CG C 13 26.825 . . . . . . . . 7 LEU CG . 26689 1 79 . 1 . 1 7 7 LEU N N 15 122.227 . . . . . . . . 7 LEU N . 26689 1 80 . 1 . 1 8 8 MET H H 1 8.316 . . . . . . . . 8 MET H . 26689 1 81 . 1 . 1 8 8 MET HA H 1 4.333 . . . . . . . . 8 MET HA . 26689 1 82 . 1 . 1 8 8 MET HB2 H 1 2.030 . . . . . . . . 8 MET QB . 26689 1 83 . 1 . 1 8 8 MET HB3 H 1 2.030 . . . . . . . . 8 MET QB . 26689 1 84 . 1 . 1 8 8 MET HG2 H 1 2.612 . . . . . . . . 8 MET HG2 . 26689 1 85 . 1 . 1 8 8 MET HG3 H 1 2.506 . . . . . . . . 8 MET HG3 . 26689 1 86 . 1 . 1 8 8 MET C C 13 177.159 . . . . . . . . 8 MET C . 26689 1 87 . 1 . 1 8 8 MET CA C 13 56.463 . . . . . . . . 8 MET CA . 26689 1 88 . 1 . 1 8 8 MET CB C 13 32.054 . . . . . . . . 8 MET CB . 26689 1 89 . 1 . 1 8 8 MET CG C 13 32.057 . . . . . . . . 8 MET CG . 26689 1 90 . 1 . 1 8 8 MET N N 15 118.920 . . . . . . . . 8 MET N . 26689 1 91 . 1 . 1 9 9 GLN H H 1 8.218 . . . . . . . . 9 GLN H . 26689 1 92 . 1 . 1 9 9 GLN HB2 H 1 2.034 . . . . . . . . 9 GLN QB . 26689 1 93 . 1 . 1 9 9 GLN HB3 H 1 2.034 . . . . . . . . 9 GLN QB . 26689 1 94 . 1 . 1 9 9 GLN CA C 13 56.718 . . . . . . . . 9 GLN CA . 26689 1 95 . 1 . 1 9 9 GLN CB C 13 29.061 . . . . . . . . 9 GLN CB . 26689 1 96 . 1 . 1 9 9 GLN N N 15 120.500 . . . . . . . . 9 GLN N . 26689 1 97 . 1 . 1 10 10 ARG H H 1 8.215 . . . . . . . . 10 ARG H . 26689 1 98 . 1 . 1 10 10 ARG HA H 1 4.254 . . . . . . . . 10 ARG HA . 26689 1 99 . 1 . 1 10 10 ARG HB2 H 1 1.825 . . . . . . . . 10 ARG HB2 . 26689 1 100 . 1 . 1 10 10 ARG HB3 H 1 1.725 . . . . . . . . 10 ARG HB3 . 26689 1 101 . 1 . 1 10 10 ARG HG2 H 1 1.627 . . . . . . . . 10 ARG QG . 26689 1 102 . 1 . 1 10 10 ARG HG3 H 1 1.627 . . . . . . . . 10 ARG QG . 26689 1 103 . 1 . 1 10 10 ARG HD2 H 1 3.168 . . . . . . . . 10 ARG QD . 26689 1 104 . 1 . 1 10 10 ARG HD3 H 1 3.168 . . . . . . . . 10 ARG QD . 26689 1 105 . 1 . 1 10 10 ARG C C 13 176.954 . . . . . . . . 10 ARG C . 26689 1 106 . 1 . 1 10 10 ARG CA C 13 56.572 . . . . . . . . 10 ARG CA . 26689 1 107 . 1 . 1 10 10 ARG CB C 13 30.533 . . . . . . . . 10 ARG CB . 26689 1 108 . 1 . 1 10 10 ARG CG C 13 27.393 . . . . . . . . 10 ARG CG . 26689 1 109 . 1 . 1 10 10 ARG CD C 13 43.243 . . . . . . . . 10 ARG CD . 26689 1 110 . 1 . 1 10 10 ARG N N 15 121.888 . . . . . . . . 10 ARG N . 26689 1 111 . 1 . 1 11 11 LEU H H 1 8.216 . . . . . . . . 11 LEU H . 26689 1 112 . 1 . 1 11 11 LEU HA H 1 4.314 . . . . . . . . 11 LEU HA . 26689 1 113 . 1 . 1 11 11 LEU HB2 H 1 1.599 . . . . . . . . 11 LEU QB . 26689 1 114 . 1 . 1 11 11 LEU HB3 H 1 1.599 . . . . . . . . 11 LEU QB . 26689 1 115 . 1 . 1 11 11 LEU HG H 1 1.554 . . . . . . . . 11 LEU HG . 26689 1 116 . 1 . 1 11 11 LEU HD11 H 1 0.884 . . . . . . . . 11 LEU QD1 . 26689 1 117 . 1 . 1 11 11 LEU HD12 H 1 0.884 . . . . . . . . 11 LEU QD1 . 26689 1 118 . 1 . 1 11 11 LEU HD13 H 1 0.884 . . . . . . . . 11 LEU QD1 . 26689 1 119 . 1 . 1 11 11 LEU HD21 H 1 0.817 . . . . . . . . 11 LEU QD2 . 26689 1 120 . 1 . 1 11 11 LEU HD22 H 1 0.817 . . . . . . . . 11 LEU QD2 . 26689 1 121 . 1 . 1 11 11 LEU HD23 H 1 0.817 . . . . . . . . 11 LEU QD2 . 26689 1 122 . 1 . 1 11 11 LEU C C 13 177.246 . . . . . . . . 11 LEU C . 26689 1 123 . 1 . 1 11 11 LEU CA C 13 55.310 . . . . . . . . 11 LEU CA . 26689 1 124 . 1 . 1 11 11 LEU CB C 13 42.057 . . . . . . . . 11 LEU CB . 26689 1 125 . 1 . 1 11 11 LEU CG C 13 26.900 . . . . . . . . 11 LEU CG . 26689 1 126 . 1 . 1 11 11 LEU CD1 C 13 24.712 . . . . . . . . 11 LEU CD1 . 26689 1 127 . 1 . 1 11 11 LEU CD2 C 13 23.453 . . . . . . . . 11 LEU CD2 . 26689 1 128 . 1 . 1 11 11 LEU N N 15 121.898 . . . . . . . . 11 LEU N . 26689 1 129 . 1 . 1 12 12 GLN H H 1 8.677 . . . . . . . . 12 GLN H . 26689 1 130 . 1 . 1 12 12 GLN CA C 13 56.814 . . . . . . . . 12 GLN CA . 26689 1 131 . 1 . 1 12 12 GLN CB C 13 30.090 . . . . . . . . 12 GLN CB . 26689 1 132 . 1 . 1 12 12 GLN N N 15 123.000 . . . . . . . . 12 GLN N . 26689 1 133 . 1 . 1 14 14 MET C C 13 176.396 . . . . . . . . 14 MET C . 26689 1 134 . 1 . 1 14 14 MET CA C 13 55.213 . . . . . . . . 14 MET CA . 26689 1 135 . 1 . 1 14 14 MET CB C 13 32.896 . . . . . . . . 14 MET CB . 26689 1 136 . 1 . 1 15 15 MET H H 1 8.271 . . . . . . . . 15 MET H . 26689 1 137 . 1 . 1 15 15 MET N N 15 120.957 . . . . . . . . 15 MET N . 26689 1 138 . 1 . 1 16 16 PRO H H 1 8.160 . . . . . . . . 16 PRO H . 26689 1 139 . 1 . 1 16 16 PRO HA H 1 4.302 . . . . . . . . 16 PRO HA . 26689 1 140 . 1 . 1 16 16 PRO HB2 H 1 2.205 . . . . . . . . 16 PRO HB2 . 26689 1 141 . 1 . 1 16 16 PRO HB3 H 1 1.753 . . . . . . . . 16 PRO HB3 . 26689 1 142 . 1 . 1 16 16 PRO HG2 H 1 1.976 . . . . . . . . 16 PRO HG2 . 26689 1 143 . 1 . 1 16 16 PRO HG3 H 1 1.785 . . . . . . . . 16 PRO HG3 . 26689 1 144 . 1 . 1 16 16 PRO HD2 H 1 3.843 . . . . . . . . 16 PRO HD2 . 26689 1 145 . 1 . 1 16 16 PRO HD3 H 1 3.619 . . . . . . . . 16 PRO HD3 . 26689 1 146 . 1 . 1 16 16 PRO C C 13 175.686 . . . . . . . . 16 PRO C . 26689 1 147 . 1 . 1 16 16 PRO CA C 13 62.729 . . . . . . . . 16 PRO CA . 26689 1 148 . 1 . 1 16 16 PRO CB C 13 32.130 . . . . . . . . 16 PRO CB . 26689 1 149 . 1 . 1 16 16 PRO CG C 13 27.160 . . . . . . . . 16 PRO CG . 26689 1 150 . 1 . 1 16 16 PRO CD C 13 50.631 . . . . . . . . 16 PRO CD . 26689 1 151 . 1 . 1 16 16 PRO N N 15 123.739 . . . . . . . . 16 PRO N . 26689 1 152 . 1 . 1 17 17 ALA H H 1 8.144 . . . . . . . . 17 ALA H . 26689 1 153 . 1 . 1 17 17 ALA HA H 1 4.195 . . . . . . . . 17 ALA HA . 26689 1 154 . 1 . 1 17 17 ALA HB1 H 1 1.308 . . . . . . . . 17 ALA HB . 26689 1 155 . 1 . 1 17 17 ALA HB2 H 1 1.308 . . . . . . . . 17 ALA HB . 26689 1 156 . 1 . 1 17 17 ALA HB3 H 1 1.308 . . . . . . . . 17 ALA HB . 26689 1 157 . 1 . 1 17 17 ALA C C 13 177.585 . . . . . . . . 17 ALA C . 26689 1 158 . 1 . 1 17 17 ALA CA C 13 52.428 . . . . . . . . 17 ALA CA . 26689 1 159 . 1 . 1 17 17 ALA CB C 13 19.325 . . . . . . . . 17 ALA CB . 26689 1 160 . 1 . 1 17 17 ALA N N 15 123.841 . . . . . . . . 17 ALA N . 26689 1 161 . 1 . 1 18 18 HIS H H 1 8.434 . . . . . . . . 18 HIS H . 26689 1 162 . 1 . 1 18 18 HIS HA H 1 4.619 . . . . . . . . 18 HIS HA . 26689 1 163 . 1 . 1 18 18 HIS HB2 H 1 3.110 . . . . . . . . 18 HIS QB . 26689 1 164 . 1 . 1 18 18 HIS HB3 H 1 3.110 . . . . . . . . 18 HIS QB . 26689 1 165 . 1 . 1 18 18 HIS C C 13 174.522 . . . . . . . . 18 HIS C . 26689 1 166 . 1 . 1 18 18 HIS CA C 13 55.309 . . . . . . . . 18 HIS CA . 26689 1 167 . 1 . 1 18 18 HIS CB C 13 29.703 . . . . . . . . 18 HIS CB . 26689 1 168 . 1 . 1 18 18 HIS N N 15 117.946 . . . . . . . . 18 HIS N . 26689 1 169 . 1 . 1 19 19 ILE H H 1 8.157 . . . . . . . . 19 ILE H . 26689 1 170 . 1 . 1 19 19 ILE HA H 1 4.089 . . . . . . . . 19 ILE HA . 26689 1 171 . 1 . 1 19 19 ILE HB H 1 1.965 . . . . . . . . 19 ILE HB . 26689 1 172 . 1 . 1 19 19 ILE HG12 H 1 1.358 . . . . . . . . 19 ILE QG1 . 26689 1 173 . 1 . 1 19 19 ILE HG13 H 1 1.358 . . . . . . . . 19 ILE QG1 . 26689 1 174 . 1 . 1 19 19 ILE HG21 H 1 1.088 . . . . . . . . 19 ILE QG2 . 26689 1 175 . 1 . 1 19 19 ILE HG22 H 1 1.088 . . . . . . . . 19 ILE QG2 . 26689 1 176 . 1 . 1 19 19 ILE HG23 H 1 1.088 . . . . . . . . 19 ILE QG2 . 26689 1 177 . 1 . 1 19 19 ILE HD11 H 1 0.818 . . . . . . . . 19 ILE QD1 . 26689 1 178 . 1 . 1 19 19 ILE HD12 H 1 0.818 . . . . . . . . 19 ILE QD1 . 26689 1 179 . 1 . 1 19 19 ILE HD13 H 1 0.818 . . . . . . . . 19 ILE QD1 . 26689 1 180 . 1 . 1 19 19 ILE C C 13 175.677 . . . . . . . . 19 ILE C . 26689 1 181 . 1 . 1 19 19 ILE CA C 13 60.657 . . . . . . . . 19 ILE CA . 26689 1 182 . 1 . 1 19 19 ILE CB C 13 38.629 . . . . . . . . 19 ILE CB . 26689 1 183 . 1 . 1 19 19 ILE CG1 C 13 27.338 . . . . . . . . 19 ILE CG1 . 26689 1 184 . 1 . 1 19 19 ILE CG2 C 13 17.326 . . . . . . . . 19 ILE CG2 . 26689 1 185 . 1 . 1 19 19 ILE CD1 C 13 12.815 . . . . . . . . 19 ILE CD1 . 26689 1 186 . 1 . 1 19 19 ILE N N 15 123.209 . . . . . . . . 19 ILE N . 26689 1 187 . 1 . 1 20 20 LYS H H 1 8.448 . . . . . . . . 20 LYS H . 26689 1 188 . 1 . 1 20 20 LYS HA H 1 4.528 . . . . . . . . 20 LYS HA . 26689 1 189 . 1 . 1 20 20 LYS HB2 H 1 1.779 . . . . . . . . 20 LYS QB . 26689 1 190 . 1 . 1 20 20 LYS HB3 H 1 1.779 . . . . . . . . 20 LYS QB . 26689 1 191 . 1 . 1 20 20 LYS HG2 H 1 1.434 . . . . . . . . 20 LYS QG . 26689 1 192 . 1 . 1 20 20 LYS HG3 H 1 1.434 . . . . . . . . 20 LYS QG . 26689 1 193 . 1 . 1 20 20 LYS HD2 H 1 1.678 . . . . . . . . 20 LYS QD . 26689 1 194 . 1 . 1 20 20 LYS HD3 H 1 1.678 . . . . . . . . 20 LYS QD . 26689 1 195 . 1 . 1 20 20 LYS HE2 H 1 2.975 . . . . . . . . 20 LYS QE . 26689 1 196 . 1 . 1 20 20 LYS HE3 H 1 2.975 . . . . . . . . 20 LYS QE . 26689 1 197 . 1 . 1 20 20 LYS CA C 13 54.070 . . . . . . . . 20 LYS CA . 26689 1 198 . 1 . 1 20 20 LYS CB C 13 32.486 . . . . . . . . 20 LYS CB . 26689 1 199 . 1 . 1 20 20 LYS N N 15 127.690 . . . . . . . . 20 LYS N . 26689 1 200 . 1 . 1 21 21 PRO H H 1 8.464 . . . . . . . . 21 PRO H . 26689 1 201 . 1 . 1 21 21 PRO HA H 1 4.344 . . . . . . . . 21 PRO HA . 26689 1 202 . 1 . 1 21 21 PRO HB2 H 1 2.271 . . . . . . . . 21 PRO HB2 . 26689 1 203 . 1 . 1 21 21 PRO HB3 H 1 1.808 . . . . . . . . 21 PRO HB3 . 26689 1 204 . 1 . 1 21 21 PRO HG2 H 1 1.980 . . . . . . . . 21 PRO QG . 26689 1 205 . 1 . 1 21 21 PRO HG3 H 1 1.980 . . . . . . . . 21 PRO QG . 26689 1 206 . 1 . 1 21 21 PRO HD2 H 1 3.721 . . . . . . . . 21 PRO HD . 26689 1 207 . 1 . 1 21 21 PRO HD3 H 1 3.721 . . . . . . . . 21 PRO HD . 26689 1 208 . 1 . 1 21 21 PRO C C 13 176.399 . . . . . . . . 21 PRO C . 26689 1 209 . 1 . 1 21 21 PRO CA C 13 62.945 . . . . . . . . 21 PRO CA . 26689 1 210 . 1 . 1 21 21 PRO CB C 13 32.155 . . . . . . . . 21 PRO CB . 26689 1 211 . 1 . 1 21 21 PRO CG C 13 27.502 . . . . . . . . 21 PRO CG . 26689 1 212 . 1 . 1 21 21 PRO CD C 13 50.699 . . . . . . . . 21 PRO CD . 26689 1 213 . 1 . 1 21 21 PRO N N 15 124.159 . . . . . . . . 21 PRO N . 26689 1 214 . 1 . 1 22 22 ALA H H 1 8.465 . . . . . . . . 22 ALA H . 26689 1 215 . 1 . 1 22 22 ALA HA H 1 4.130 . . . . . . . . 22 ALA HA . 26689 1 216 . 1 . 1 22 22 ALA HB1 H 1 1.289 . . . . . . . . 22 ALA HB . 26689 1 217 . 1 . 1 22 22 ALA HB2 H 1 1.289 . . . . . . . . 22 ALA HB . 26689 1 218 . 1 . 1 22 22 ALA HB3 H 1 1.289 . . . . . . . . 22 ALA HB . 26689 1 219 . 1 . 1 22 22 ALA C C 13 177.254 . . . . . . . . 22 ALA C . 26689 1 220 . 1 . 1 22 22 ALA CA C 13 52.641 . . . . . . . . 22 ALA CA . 26689 1 221 . 1 . 1 22 22 ALA CB C 13 19.229 . . . . . . . . 22 ALA CB . 26689 1 222 . 1 . 1 22 22 ALA N N 15 124.133 . . . . . . . . 22 ALA N . 26689 1 223 . 1 . 1 23 23 PHE H H 1 8.156 . . . . . . . . 23 PHE H . 26689 1 224 . 1 . 1 23 23 PHE HA H 1 4.571 . . . . . . . . 23 PHE HA . 26689 1 225 . 1 . 1 23 23 PHE HB2 H 1 3.059 . . . . . . . . 23 PHE HB2 . 26689 1 226 . 1 . 1 23 23 PHE HB3 H 1 3.019 . . . . . . . . 23 PHE HB3 . 26689 1 227 . 1 . 1 23 23 PHE C C 13 175.578 . . . . . . . . 23 PHE C . 26689 1 228 . 1 . 1 23 23 PHE CA C 13 57.290 . . . . . . . . 23 PHE CA . 26689 1 229 . 1 . 1 23 23 PHE CB C 13 39.931 . . . . . . . . 23 PHE CB . 26689 1 230 . 1 . 1 23 23 PHE N N 15 119.424 . . . . . . . . 23 PHE N . 26689 1 231 . 1 . 1 24 24 LYS H H 1 8.344 . . . . . . . . 24 LYS H . 26689 1 232 . 1 . 1 24 24 LYS HA H 1 4.339 . . . . . . . . 24 LYS HA . 26689 1 233 . 1 . 1 24 24 LYS HB2 H 1 1.642 . . . . . . . . 24 LYS QB . 26689 1 234 . 1 . 1 24 24 LYS HB3 H 1 1.642 . . . . . . . . 24 LYS QB . 26689 1 235 . 1 . 1 24 24 LYS HG2 H 1 1.340 . . . . . . . . 24 LYS QG . 26689 1 236 . 1 . 1 24 24 LYS HG3 H 1 1.340 . . . . . . . . 24 LYS QG . 26689 1 237 . 1 . 1 24 24 LYS HE2 H 1 2.974 . . . . . . . . 24 LYS QE . 26689 1 238 . 1 . 1 24 24 LYS HE3 H 1 2.974 . . . . . . . . 24 LYS QE . 26689 1 239 . 1 . 1 24 24 LYS C C 13 176.260 . . . . . . . . 24 LYS C . 26689 1 240 . 1 . 1 24 24 LYS CA C 13 56.091 . . . . . . . . 24 LYS CA . 26689 1 241 . 1 . 1 24 24 LYS CB C 13 33.681 . . . . . . . . 24 LYS CB . 26689 1 242 . 1 . 1 24 24 LYS CG C 13 24.472 . . . . . . . . 24 LYS CG . 26689 1 243 . 1 . 1 24 24 LYS CD C 13 29.287 . . . . . . . . 24 LYS CD . 26689 1 244 . 1 . 1 24 24 LYS CE C 13 41.980 . . . . . . . . 24 LYS CE . 26689 1 245 . 1 . 1 24 24 LYS N N 15 123.926 . . . . . . . . 24 LYS N . 26689 1 246 . 1 . 1 25 25 THR H H 1 8.409 . . . . . . . . 25 THR H . 26689 1 247 . 1 . 1 25 25 THR HA H 1 4.248 . . . . . . . . 25 THR HA . 26689 1 248 . 1 . 1 25 25 THR HB H 1 4.219 . . . . . . . . 25 THR HB . 26689 1 249 . 1 . 1 25 25 THR HG21 H 1 1.212 . . . . . . . . 25 THR HG2 . 26689 1 250 . 1 . 1 25 25 THR HG22 H 1 1.212 . . . . . . . . 25 THR HG2 . 26689 1 251 . 1 . 1 25 25 THR HG23 H 1 1.212 . . . . . . . . 25 THR HG2 . 26689 1 252 . 1 . 1 25 25 THR C C 13 175.305 . . . . . . . . 25 THR C . 26689 1 253 . 1 . 1 25 25 THR CA C 13 61.787 . . . . . . . . 25 THR CA . 26689 1 254 . 1 . 1 25 25 THR CB C 13 70.148 . . . . . . . . 25 THR CB . 26689 1 255 . 1 . 1 25 25 THR CG2 C 13 21.393 . . . . . . . . 25 THR CG . 26689 1 256 . 1 . 1 25 25 THR N N 15 116.038 . . . . . . . . 25 THR N . 26689 1 257 . 1 . 1 26 26 GLY H H 1 8.694 . . . . . . . . 26 GLY H . 26689 1 258 . 1 . 1 26 26 GLY HA2 H 1 3.947 . . . . . . . . 26 GLY QA . 26689 1 259 . 1 . 1 26 26 GLY HA3 H 1 3.947 . . . . . . . . 26 GLY QA . 26689 1 260 . 1 . 1 26 26 GLY C C 13 175.397 . . . . . . . . 26 GLY C . 26689 1 261 . 1 . 1 26 26 GLY CA C 13 45.864 . . . . . . . . 26 GLY CA . 26689 1 262 . 1 . 1 26 26 GLY N N 15 111.876 . . . . . . . . 26 GLY N . 26689 1 263 . 1 . 1 27 27 GLU H H 1 8.326 . . . . . . . . 27 GLU H . 26689 1 264 . 1 . 1 27 27 GLU HA H 1 4.221 . . . . . . . . 27 GLU HA . 26689 1 265 . 1 . 1 27 27 GLU HB2 H 1 2.020 . . . . . . . . 27 GLU HB2 . 26689 1 266 . 1 . 1 27 27 GLU HB3 H 1 1.909 . . . . . . . . 27 GLU HB3 . 26689 1 267 . 1 . 1 27 27 GLU HG2 H 1 2.341 . . . . . . . . 27 GLU HG1 . 26689 1 268 . 1 . 1 27 27 GLU HG3 H 1 2.198 . . . . . . . . 27 GLU HG2 . 26689 1 269 . 1 . 1 27 27 GLU C C 13 176.572 . . . . . . . . 27 GLU C . 26689 1 270 . 1 . 1 27 27 GLU CA C 13 56.747 . . . . . . . . 27 GLU CA . 26689 1 271 . 1 . 1 27 27 GLU CB C 13 29.816 . . . . . . . . 27 GLU CB . 26689 1 272 . 1 . 1 27 27 GLU CG C 13 36.290 . . . . . . . . 27 GLU CG . 26689 1 273 . 1 . 1 27 27 GLU N N 15 120.738 . . . . . . . . 27 GLU N . 26689 1 274 . 1 . 1 28 28 GLU H H 1 8.631 . . . . . . . . 28 GLU H . 26689 1 275 . 1 . 1 28 28 GLU HA H 1 4.122 . . . . . . . . 28 GLU HA . 26689 1 276 . 1 . 1 28 28 GLU HB2 H 1 1.996 . . . . . . . . 28 GLU HB2 . 26689 1 277 . 1 . 1 28 28 GLU HB3 H 1 1.917 . . . . . . . . 28 GLU HB3 . 26689 1 278 . 1 . 1 28 28 GLU HG2 H 1 2.262 . . . . . . . . 28 GLU HG2 . 26689 1 279 . 1 . 1 28 28 GLU HG3 H 1 2.210 . . . . . . . . 28 GLU HG3 . 26689 1 280 . 1 . 1 28 28 GLU C C 13 177.622 . . . . . . . . 28 GLU C . 26689 1 281 . 1 . 1 28 28 GLU CA C 13 57.103 . . . . . . . . 28 GLU CA . 26689 1 282 . 1 . 1 28 28 GLU CB C 13 29.932 . . . . . . . . 28 GLU CB . 26689 1 283 . 1 . 1 28 28 GLU CG C 13 36.146 . . . . . . . . 28 GLU CG . 26689 1 284 . 1 . 1 28 28 GLU N N 15 121.671 . . . . . . . . 28 GLU N . 26689 1 285 . 1 . 1 29 29 LEU HA H 1 4.057 . . . . . . . . 29 LEU HA . 26689 1 286 . 1 . 1 29 29 LEU HB2 H 1 1.784 . . . . . . . . 29 LEU QB . 26689 1 287 . 1 . 1 29 29 LEU HB3 H 1 1.784 . . . . . . . . 29 LEU QB . 26689 1 288 . 1 . 1 29 29 LEU HG H 1 1.391 . . . . . . . . 29 LEU HG . 26689 1 289 . 1 . 1 29 29 LEU HD11 H 1 0.898 . . . . . . . . 29 LEU HD1 . 26689 1 290 . 1 . 1 29 29 LEU HD12 H 1 0.898 . . . . . . . . 29 LEU HD1 . 26689 1 291 . 1 . 1 29 29 LEU HD13 H 1 0.898 . . . . . . . . 29 LEU HD1 . 26689 1 292 . 1 . 1 29 29 LEU HD21 H 1 0.895 . . . . . . . . 29 LEU HD2 . 26689 1 293 . 1 . 1 29 29 LEU HD22 H 1 0.895 . . . . . . . . 29 LEU HD2 . 26689 1 294 . 1 . 1 29 29 LEU HD23 H 1 0.895 . . . . . . . . 29 LEU HD2 . 26689 1 295 . 1 . 1 29 29 LEU C C 13 177.966 . . . . . . . . 29 LEU C . 26689 1 296 . 1 . 1 29 29 LEU CA C 13 56.640 . . . . . . . . 29 LEU CA . 26689 1 297 . 1 . 1 29 29 LEU CB C 13 41.142 . . . . . . . . 29 LEU CB . 26689 1 298 . 1 . 1 29 29 LEU CG C 13 24.965 . . . . . . . . 29 LEU CG . 26689 1 299 . 1 . 1 29 29 LEU CD1 C 13 23.597 . . . . . . . . 29 LEU CD . 26689 1 300 . 1 . 1 29 29 LEU CD2 C 13 23.597 . . . . . . . . 29 LEU CD . 26689 1 301 . 1 . 1 29 29 LEU N N 15 122.041 . . . . . . . . 29 LEU N . 26689 1 302 . 1 . 1 30 30 LEU H H 1 7.946 . . . . . . . . 30 LEU H . 26689 1 303 . 1 . 1 30 30 LEU HA H 1 4.239 . . . . . . . . 30 LEU HA . 26689 1 304 . 1 . 1 30 30 LEU HB2 H 1 1.621 . . . . . . . . 30 LEU QB . 26689 1 305 . 1 . 1 30 30 LEU HB3 H 1 1.621 . . . . . . . . 30 LEU QB . 26689 1 306 . 1 . 1 30 30 LEU HG H 1 0.882 . . . . . . . . 30 LEU HG . 26689 1 307 . 1 . 1 30 30 LEU HD11 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 308 . 1 . 1 30 30 LEU HD12 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 309 . 1 . 1 30 30 LEU HD13 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 310 . 1 . 1 30 30 LEU HD21 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 311 . 1 . 1 30 30 LEU HD22 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 312 . 1 . 1 30 30 LEU HD23 H 1 0.874 . . . . . . . . 30 LEU QD . 26689 1 313 . 1 . 1 30 30 LEU C C 13 177.459 . . . . . . . . 30 LEU C . 26689 1 314 . 1 . 1 30 30 LEU CA C 13 55.275 . . . . . . . . 30 LEU CA . 26689 1 315 . 1 . 1 30 30 LEU CB C 13 41.705 . . . . . . . . 30 LEU CB . 26689 1 316 . 1 . 1 30 30 LEU CG C 13 24.801 . . . . . . . . 30 LEU CG . 26689 1 317 . 1 . 1 30 30 LEU CD1 C 13 23.488 . . . . . . . . 30 LEU CD . 26689 1 318 . 1 . 1 30 30 LEU CD2 C 13 23.488 . . . . . . . . 30 LEU CD . 26689 1 319 . 1 . 1 30 30 LEU N N 15 122.394 . . . . . . . . 30 LEU N . 26689 1 320 . 1 . 1 31 31 ALA H H 1 8.012 . . . . . . . . 31 ALA H . 26689 1 321 . 1 . 1 31 31 ALA HA H 1 4.317 . . . . . . . . 31 ALA HA . 26689 1 322 . 1 . 1 31 31 ALA HB1 H 1 1.486 . . . . . . . . 31 ALA HB . 26689 1 323 . 1 . 1 31 31 ALA HB2 H 1 1.486 . . . . . . . . 31 ALA HB . 26689 1 324 . 1 . 1 31 31 ALA HB3 H 1 1.486 . . . . . . . . 31 ALA HB . 26689 1 325 . 1 . 1 31 31 ALA C C 13 180.116 . . . . . . . . 31 ALA C . 26689 1 326 . 1 . 1 31 31 ALA CA C 13 54.880 . . . . . . . . 31 ALA CA . 26689 1 327 . 1 . 1 31 31 ALA CB C 13 18.781 . . . . . . . . 31 ALA CB . 26689 1 328 . 1 . 1 31 31 ALA N N 15 121.411 . . . . . . . . 31 ALA N . 26689 1 329 . 1 . 1 32 32 TRP H H 1 7.991 . . . . . . . . 32 TRP H . 26689 1 330 . 1 . 1 32 32 TRP HA H 1 4.391 . . . . . . . . 32 TRP HA . 26689 1 331 . 1 . 1 32 32 TRP HB2 H 1 3.469 . . . . . . . . 32 TRP HB2 . 26689 1 332 . 1 . 1 32 32 TRP HB3 H 1 3.345 . . . . . . . . 32 TRP HB3 . 26689 1 333 . 1 . 1 32 32 TRP C C 13 178.206 . . . . . . . . 32 TRP C . 26689 1 334 . 1 . 1 32 32 TRP CA C 13 60.734 . . . . . . . . 32 TRP CA . 26689 1 335 . 1 . 1 32 32 TRP CB C 13 28.861 . . . . . . . . 32 TRP CB . 26689 1 336 . 1 . 1 32 32 TRP N N 15 120.745 . . . . . . . . 32 TRP N . 26689 1 337 . 1 . 1 33 33 GLN H H 1 8.683 . . . . . . . . 33 GLN H . 26689 1 338 . 1 . 1 33 33 GLN HA H 1 4.194 . . . . . . . . 33 GLN HA . 26689 1 339 . 1 . 1 33 33 GLN HB2 H 1 1.677 . . . . . . . . 33 GLN QB . 26689 1 340 . 1 . 1 33 33 GLN HB3 H 1 1.677 . . . . . . . . 33 GLN QB . 26689 1 341 . 1 . 1 33 33 GLN HG2 H 1 2.204 . . . . . . . . 33 GLN QG . 26689 1 342 . 1 . 1 33 33 GLN HG3 H 1 2.204 . . . . . . . . 33 GLN QG . 26689 1 343 . 1 . 1 33 33 GLN C C 13 176.170 . . . . . . . . 33 GLN C . 26689 1 344 . 1 . 1 33 33 GLN CA C 13 58.672 . . . . . . . . 33 GLN CA . 26689 1 345 . 1 . 1 33 33 GLN CB C 13 29.326 . . . . . . . . 33 GLN CB . 26689 1 346 . 1 . 1 33 33 GLN N N 15 119.261 . . . . . . . . 33 GLN N . 26689 1 347 . 1 . 1 34 34 LYS H H 1 8.218 . . . . . . . . 34 LYS H . 26689 1 348 . 1 . 1 34 34 LYS HA H 1 3.990 . . . . . . . . 34 LYS HA . 26689 1 349 . 1 . 1 34 34 LYS HB2 H 1 1.714 . . . . . . . . 34 LYS HB2 . 26689 1 350 . 1 . 1 34 34 LYS HB3 H 1 1.667 . . . . . . . . 34 LYS HB3 . 26689 1 351 . 1 . 1 34 34 LYS HG2 H 1 1.373 . . . . . . . . 34 LYS QG . 26689 1 352 . 1 . 1 34 34 LYS HG3 H 1 1.373 . . . . . . . . 34 LYS QG . 26689 1 353 . 1 . 1 34 34 LYS HD2 H 1 1.671 . . . . . . . . 34 LYS QD . 26689 1 354 . 1 . 1 34 34 LYS HD3 H 1 1.671 . . . . . . . . 34 LYS QD . 26689 1 355 . 1 . 1 34 34 LYS HE2 H 1 2.957 . . . . . . . . 34 LYS QE . 26689 1 356 . 1 . 1 34 34 LYS HE3 H 1 2.957 . . . . . . . . 34 LYS QE . 26689 1 357 . 1 . 1 34 34 LYS C C 13 177.793 . . . . . . . . 34 LYS C . 26689 1 358 . 1 . 1 34 34 LYS CA C 13 56.903 . . . . . . . . 34 LYS CA . 26689 1 359 . 1 . 1 34 34 LYS CB C 13 32.903 . . . . . . . . 34 LYS CB . 26689 1 360 . 1 . 1 34 34 LYS CG C 13 24.582 . . . . . . . . 34 LYS CG . 26689 1 361 . 1 . 1 34 34 LYS CD C 13 29.342 . . . . . . . . 34 LYS CD . 26689 1 362 . 1 . 1 34 34 LYS CE C 13 41.981 . . . . . . . . 34 LYS CE . 26689 1 363 . 1 . 1 34 34 LYS N N 15 121.649 . . . . . . . . 34 LYS N . 26689 1 364 . 1 . 1 35 35 GLU H H 1 8.633 . . . . . . . . 35 GLU H . 26689 1 365 . 1 . 1 35 35 GLU HA H 1 4.153 . . . . . . . . 35 GLU HA . 26689 1 366 . 1 . 1 35 35 GLU HB2 H 1 1.967 . . . . . . . . 35 GLU QB . 26689 1 367 . 1 . 1 35 35 GLU HB3 H 1 1.967 . . . . . . . . 35 GLU QB . 26689 1 368 . 1 . 1 35 35 GLU HG2 H 1 2.309 . . . . . . . . 35 GLU HG2 . 26689 1 369 . 1 . 1 35 35 GLU HG3 H 1 2.230 . . . . . . . . 35 GLU HG3 . 26689 1 370 . 1 . 1 35 35 GLU C C 13 177.813 . . . . . . . . 35 GLU C . 26689 1 371 . 1 . 1 35 35 GLU CA C 13 57.795 . . . . . . . . 35 GLU CA . 26689 1 372 . 1 . 1 35 35 GLU CB C 13 29.516 . . . . . . . . 35 GLU CB . 26689 1 373 . 1 . 1 35 35 GLU CG C 13 36.092 . . . . . . . . 35 GLU CG . 26689 1 374 . 1 . 1 35 35 GLU N N 15 122.340 . . . . . . . . 35 GLU N . 26689 1 375 . 1 . 1 36 36 GLN H H 1 7.988 . . . . . . . . 36 GLN H . 26689 1 376 . 1 . 1 36 36 GLN HA H 1 4.099 . . . . . . . . 36 GLN HA . 26689 1 377 . 1 . 1 36 36 GLN HB2 H 1 2.069 . . . . . . . . 36 GLN HB2 . 26689 1 378 . 1 . 1 36 36 GLN HB3 H 1 1.923 . . . . . . . . 36 GLN HB3 . 26689 1 379 . 1 . 1 36 36 GLN HG2 H 1 2.304 . . . . . . . . 36 GLN HG . 26689 1 380 . 1 . 1 36 36 GLN HG3 H 1 2.304 . . . . . . . . 36 GLN HG . 26689 1 381 . 1 . 1 36 36 GLN C C 13 177.548 . . . . . . . . 36 GLN C . 26689 1 382 . 1 . 1 36 36 GLN CA C 13 56.835 . . . . . . . . 36 GLN CA . 26689 1 383 . 1 . 1 36 36 GLN CB C 13 29.286 . . . . . . . . 36 GLN CB . 26689 1 384 . 1 . 1 36 36 GLN CG C 13 33.883 . . . . . . . . 36 GLN CG . 26689 1 385 . 1 . 1 36 36 GLN N N 15 119.708 . . . . . . . . 36 GLN N . 26689 1 386 . 1 . 1 37 37 GLY H H 1 8.491 . . . . . . . . 37 GLY H . 26689 1 387 . 1 . 1 37 37 GLY HA2 H 1 3.899 . . . . . . . . 37 GLY QA . 26689 1 388 . 1 . 1 37 37 GLY HA3 H 1 3.899 . . . . . . . . 37 GLY QA . 26689 1 389 . 1 . 1 37 37 GLY C C 13 174.376 . . . . . . . . 37 GLY C . 26689 1 390 . 1 . 1 37 37 GLY CA C 13 45.558 . . . . . . . . 37 GLY CA . 26689 1 391 . 1 . 1 37 37 GLY N N 15 110.084 . . . . . . . . 37 GLY N . 26689 1 392 . 1 . 1 38 38 ALA H H 1 8.189 . . . . . . . . 38 ALA H . 26689 1 393 . 1 . 1 38 38 ALA HA H 1 4.240 . . . . . . . . 38 ALA HA . 26689 1 394 . 1 . 1 38 38 ALA HB1 H 1 1.331 . . . . . . . . 38 ALA HB . 26689 1 395 . 1 . 1 38 38 ALA HB2 H 1 1.331 . . . . . . . . 38 ALA HB . 26689 1 396 . 1 . 1 38 38 ALA HB3 H 1 1.331 . . . . . . . . 38 ALA HB . 26689 1 397 . 1 . 1 38 38 ALA C C 13 176.935 . . . . . . . . 38 ALA C . 26689 1 398 . 1 . 1 38 38 ALA CA C 13 54.309 . . . . . . . . 38 ALA CA . 26689 1 399 . 1 . 1 38 38 ALA CB C 13 18.998 . . . . . . . . 38 ALA CB . 26689 1 400 . 1 . 1 38 38 ALA N N 15 123.749 . . . . . . . . 38 ALA N . 26689 1 401 . 1 . 1 39 39 ILE H H 1 8.181 . . . . . . . . 39 ILE H . 26689 1 402 . 1 . 1 39 39 ILE HA H 1 4.032 . . . . . . . . 39 ILE HA . 26689 1 403 . 1 . 1 39 39 ILE HB H 1 1.815 . . . . . . . . 39 ILE HB . 26689 1 404 . 1 . 1 39 39 ILE HG12 H 1 1.456 . . . . . . . . 39 ILE QG1 . 26689 1 405 . 1 . 1 39 39 ILE HG13 H 1 1.456 . . . . . . . . 39 ILE QG1 . 26689 1 406 . 1 . 1 39 39 ILE HG21 H 1 1.162 . . . . . . . . 39 ILE QG2 . 26689 1 407 . 1 . 1 39 39 ILE HG22 H 1 1.162 . . . . . . . . 39 ILE QG2 . 26689 1 408 . 1 . 1 39 39 ILE HG23 H 1 1.162 . . . . . . . . 39 ILE QG2 . 26689 1 409 . 1 . 1 39 39 ILE HD11 H 1 0.844 . . . . . . . . 39 ILE QD1 . 26689 1 410 . 1 . 1 39 39 ILE HD12 H 1 0.844 . . . . . . . . 39 ILE QD1 . 26689 1 411 . 1 . 1 39 39 ILE HD13 H 1 0.844 . . . . . . . . 39 ILE QD1 . 26689 1 412 . 1 . 1 39 39 ILE C C 13 177.016 . . . . . . . . 39 ILE C . 26689 1 413 . 1 . 1 39 39 ILE CA C 13 61.758 . . . . . . . . 39 ILE CA . 26689 1 414 . 1 . 1 39 39 ILE CB C 13 38.417 . . . . . . . . 39 ILE CB . 26689 1 415 . 1 . 1 39 39 ILE CG1 C 13 27.447 . . . . . . . . 39 ILE CG1 . 26689 1 416 . 1 . 1 39 39 ILE CG2 C 13 17.435 . . . . . . . . 39 ILE CG2 . 26689 1 417 . 1 . 1 39 39 ILE CD1 C 13 12.795 . . . . . . . . 39 ILE CD1 . 26689 1 418 . 1 . 1 39 39 ILE N N 15 120.700 . . . . . . . . 39 ILE N . 26689 1 419 . 1 . 1 40 40 ARG H H 1 8.478 . . . . . . . . 40 ARG H . 26689 1 420 . 1 . 1 40 40 ARG HA H 1 4.310 . . . . . . . . 40 ARG HA . 26689 1 421 . 1 . 1 40 40 ARG HB2 H 1 1.638 . . . . . . . . 40 ARG QB . 26689 1 422 . 1 . 1 40 40 ARG HB3 H 1 1.638 . . . . . . . . 40 ARG QB . 26689 1 423 . 1 . 1 40 40 ARG HD2 H 1 3.143 . . . . . . . . 40 ARG QD . 26689 1 424 . 1 . 1 40 40 ARG HD3 H 1 3.143 . . . . . . . . 40 ARG QD . 26689 1 425 . 1 . 1 40 40 ARG C C 13 176.413 . . . . . . . . 40 ARG C . 26689 1 426 . 1 . 1 40 40 ARG CA C 13 56.464 . . . . . . . . 40 ARG CA . 26689 1 427 . 1 . 1 40 40 ARG CB C 13 30.756 . . . . . . . . 40 ARG CB . 26689 1 428 . 1 . 1 40 40 ARG CG C 13 27.174 . . . . . . . . 40 ARG CG . 26689 1 429 . 1 . 1 40 40 ARG CD C 13 43.204 . . . . . . . . 40 ARG CD . 26689 1 430 . 1 . 1 40 40 ARG N N 15 125.623 . . . . . . . . 40 ARG N . 26689 1 431 . 1 . 1 41 41 SER H H 1 8.395 . . . . . . . . 41 SER H . 26689 1 432 . 1 . 1 41 41 SER HA H 1 4.349 . . . . . . . . 41 SER HA . 26689 1 433 . 1 . 1 41 41 SER HB2 H 1 3.879 . . . . . . . . 41 SER HB2 . 26689 1 434 . 1 . 1 41 41 SER HB3 H 1 3.826 . . . . . . . . 41 SER HB3 . 26689 1 435 . 1 . 1 41 41 SER C C 13 174.627 . . . . . . . . 41 SER C . 26689 1 436 . 1 . 1 41 41 SER CA C 13 58.989 . . . . . . . . 41 SER CA . 26689 1 437 . 1 . 1 41 41 SER CB C 13 63.259 . . . . . . . . 41 SER CB . 26689 1 438 . 1 . 1 41 41 SER N N 15 117.442 . . . . . . . . 41 SER N . 26689 1 439 . 1 . 1 42 42 ALA H H 1 8.447 . . . . . . . . 42 ALA H . 26689 1 440 . 1 . 1 42 42 ALA HA H 1 4.211 . . . . . . . . 42 ALA HA . 26689 1 441 . 1 . 1 42 42 ALA HB1 H 1 1.367 . . . . . . . . 42 ALA HB . 26689 1 442 . 1 . 1 42 42 ALA HB2 H 1 1.367 . . . . . . . . 42 ALA HB . 26689 1 443 . 1 . 1 42 42 ALA HB3 H 1 1.367 . . . . . . . . 42 ALA HB . 26689 1 444 . 1 . 1 42 42 ALA C C 13 178.683 . . . . . . . . 42 ALA C . 26689 1 445 . 1 . 1 42 42 ALA CA C 13 53.480 . . . . . . . . 42 ALA CA . 26689 1 446 . 1 . 1 42 42 ALA CB C 13 18.623 . . . . . . . . 42 ALA CB . 26689 1 447 . 1 . 1 42 42 ALA N N 15 126.466 . . . . . . . . 42 ALA N . 26689 1 448 . 1 . 1 43 43 ALA H H 1 8.194 . . . . . . . . 43 ALA H . 26689 1 449 . 1 . 1 43 43 ALA HA H 1 4.216 . . . . . . . . 43 ALA HA . 26689 1 450 . 1 . 1 43 43 ALA HB1 H 1 1.364 . . . . . . . . 43 ALA HB . 26689 1 451 . 1 . 1 43 43 ALA HB2 H 1 1.364 . . . . . . . . 43 ALA HB . 26689 1 452 . 1 . 1 43 43 ALA HB3 H 1 1.364 . . . . . . . . 43 ALA HB . 26689 1 453 . 1 . 1 43 43 ALA C C 13 177.553 . . . . . . . . 43 ALA C . 26689 1 454 . 1 . 1 43 43 ALA CA C 13 52.856 . . . . . . . . 43 ALA CA . 26689 1 455 . 1 . 1 43 43 ALA CB C 13 18.879 . . . . . . . . 43 ALA CB . 26689 1 456 . 1 . 1 43 43 ALA N N 15 122.380 . . . . . . . . 43 ALA N . 26689 1 457 . 1 . 1 44 44 LEU H H 1 8.075 . . . . . . . . 44 LEU H . 26689 1 458 . 1 . 1 44 44 LEU HA H 1 4.246 . . . . . . . . 44 LEU HA . 26689 1 459 . 1 . 1 44 44 LEU HB2 H 1 1.639 . . . . . . . . 44 LEU QB . 26689 1 460 . 1 . 1 44 44 LEU HB3 H 1 1.639 . . . . . . . . 44 LEU QB . 26689 1 461 . 1 . 1 44 44 LEU HD11 H 1 0.897 . . . . . . . . 44 LEU QD1 . 26689 1 462 . 1 . 1 44 44 LEU HD12 H 1 0.897 . . . . . . . . 44 LEU QD1 . 26689 1 463 . 1 . 1 44 44 LEU HD13 H 1 0.897 . . . . . . . . 44 LEU QD1 . 26689 1 464 . 1 . 1 44 44 LEU HD21 H 1 0.827 . . . . . . . . 44 LEU QD2 . 26689 1 465 . 1 . 1 44 44 LEU HD22 H 1 0.827 . . . . . . . . 44 LEU QD2 . 26689 1 466 . 1 . 1 44 44 LEU HD23 H 1 0.827 . . . . . . . . 44 LEU QD2 . 26689 1 467 . 1 . 1 44 44 LEU C C 13 178.332 . . . . . . . . 44 LEU C . 26689 1 468 . 1 . 1 44 44 LEU CA C 13 55.817 . . . . . . . . 44 LEU CA . 26689 1 469 . 1 . 1 44 44 LEU CB C 13 42.108 . . . . . . . . 44 LEU CB . 26689 1 470 . 1 . 1 44 44 LEU CG C 13 27.174 . . . . . . . . 44 LEU CG . 26689 1 471 . 1 . 1 44 44 LEU CD1 C 13 15.793 . . . . . . . . 44 LEU CD . 26689 1 472 . 1 . 1 44 44 LEU CD2 C 13 15.793 . . . . . . . . 44 LEU CD . 26689 1 473 . 1 . 1 44 44 LEU N N 15 120.592 . . . . . . . . 44 LEU N . 26689 1 474 . 1 . 1 45 45 GLU H H 1 8.240 . . . . . . . . 45 GLU H . 26689 1 475 . 1 . 1 45 45 GLU HA H 1 4.095 . . . . . . . . 45 GLU HA . 26689 1 476 . 1 . 1 45 45 GLU HB2 H 1 1.613 . . . . . . . . 45 GLU QB . 26689 1 477 . 1 . 1 45 45 GLU HB3 H 1 1.613 . . . . . . . . 45 GLU QB . 26689 1 478 . 1 . 1 45 45 GLU HG2 H 1 2.247 . . . . . . . . 45 GLU QG . 26689 1 479 . 1 . 1 45 45 GLU HG3 H 1 2.247 . . . . . . . . 45 GLU QG . 26689 1 480 . 1 . 1 45 45 GLU C C 13 177.560 . . . . . . . . 45 GLU C . 26689 1 481 . 1 . 1 45 45 GLU CA C 13 57.809 . . . . . . . . 45 GLU CA . 26689 1 482 . 1 . 1 45 45 GLU CB C 13 29.451 . . . . . . . . 45 GLU CB . 26689 1 483 . 1 . 1 45 45 GLU CG C 13 35.852 . . . . . . . . 45 GLU CG . 26689 1 484 . 1 . 1 45 45 GLU N N 15 120.955 . . . . . . . . 45 GLU N . 26689 1 485 . 1 . 1 46 46 ARG H H 1 8.178 . . . . . . . . 46 ARG H . 26689 1 486 . 1 . 1 46 46 ARG HB2 H 1 1.651 . . . . . . . . 46 ARG QB . 26689 1 487 . 1 . 1 46 46 ARG HB3 H 1 1.651 . . . . . . . . 46 ARG QB . 26689 1 488 . 1 . 1 46 46 ARG HD2 H 1 3.191 . . . . . . . . 46 ARG QD . 26689 1 489 . 1 . 1 46 46 ARG HD3 H 1 3.191 . . . . . . . . 46 ARG QD . 26689 1 490 . 1 . 1 46 46 ARG C C 13 176.962 . . . . . . . . 46 ARG C . 26689 1 491 . 1 . 1 46 46 ARG CA C 13 56.902 . . . . . . . . 46 ARG CA . 26689 1 492 . 1 . 1 46 46 ARG CB C 13 29.967 . . . . . . . . 46 ARG CB . 26689 1 493 . 1 . 1 46 46 ARG CG C 13 27.256 . . . . . . . . 46 ARG CG . 26689 1 494 . 1 . 1 46 46 ARG CD C 13 43.286 . . . . . . . . 46 ARG CD . 26689 1 495 . 1 . 1 46 46 ARG N N 15 117.722 . . . . . . . . 46 ARG N . 26689 1 496 . 1 . 1 47 47 GLU H H 1 8.334 . . . . . . . . 47 GLU H . 26689 1 497 . 1 . 1 47 47 GLU HG2 H 1 2.344 . . . . . . . . 47 GLU QG . 26689 1 498 . 1 . 1 47 47 GLU HG3 H 1 2.344 . . . . . . . . 47 GLU QG . 26689 1 499 . 1 . 1 47 47 GLU C C 13 176.596 . . . . . . . . 47 GLU C . 26689 1 500 . 1 . 1 47 47 GLU CA C 13 57.055 . . . . . . . . 47 GLU CA . 26689 1 501 . 1 . 1 47 47 GLU CB C 13 30.138 . . . . . . . . 47 GLU CB . 26689 1 502 . 1 . 1 47 47 GLU CG C 13 36.181 . . . . . . . . 47 GLU CG . 26689 1 503 . 1 . 1 47 47 GLU N N 15 121.020 . . . . . . . . 47 GLU N . 26689 1 504 . 1 . 1 48 48 ASN H H 1 8.315 . . . . . . . . 48 ASN H . 26689 1 505 . 1 . 1 48 48 ASN HA H 1 4.647 . . . . . . . . 48 ASN HA . 26689 1 506 . 1 . 1 48 48 ASN HB2 H 1 2.817 . . . . . . . . 48 ASN HB2 . 26689 1 507 . 1 . 1 48 48 ASN HB3 H 1 2.738 . . . . . . . . 48 ASN HB3 . 26689 1 508 . 1 . 1 48 48 ASN C C 13 175.479 . . . . . . . . 48 ASN C . 26689 1 509 . 1 . 1 48 48 ASN CA C 13 53.411 . . . . . . . . 48 ASN CA . 26689 1 510 . 1 . 1 48 48 ASN CB C 13 38.687 . . . . . . . . 48 ASN CB . 26689 1 511 . 1 . 1 48 48 ASN N N 15 118.784 . . . . . . . . 48 ASN N . 26689 1 512 . 1 . 1 49 49 ARG H H 1 8.250 . . . . . . . . 49 ARG H . 26689 1 513 . 1 . 1 49 49 ARG HA H 1 4.252 . . . . . . . . 49 ARG HA . 26689 1 514 . 1 . 1 49 49 ARG HB2 H 1 1.628 . . . . . . . . 49 ARG QB . 26689 1 515 . 1 . 1 49 49 ARG HB3 H 1 1.628 . . . . . . . . 49 ARG QB . 26689 1 516 . 1 . 1 49 49 ARG HD2 H 1 3.170 . . . . . . . . 49 ARG QD . 26689 1 517 . 1 . 1 49 49 ARG HD3 H 1 3.170 . . . . . . . . 49 ARG QD . 26689 1 518 . 1 . 1 49 49 ARG C C 13 176.011 . . . . . . . . 49 ARG C . 26689 1 519 . 1 . 1 49 49 ARG CA C 13 56.291 . . . . . . . . 49 ARG CA . 26689 1 520 . 1 . 1 49 49 ARG CB C 13 30.692 . . . . . . . . 49 ARG CB . 26689 1 521 . 1 . 1 49 49 ARG CG C 13 27.228 . . . . . . . . 49 ARG CG . 26689 1 522 . 1 . 1 49 49 ARG CD C 13 43.368 . . . . . . . . 49 ARG CD . 26689 1 523 . 1 . 1 49 49 ARG N N 15 121.500 . . . . . . . . 49 ARG N . 26689 1 524 . 1 . 1 50 50 ALA H H 1 8.252 . . . . . . . . 50 ALA H . 26689 1 525 . 1 . 1 50 50 ALA HA H 1 4.281 . . . . . . . . 50 ALA HA . 26689 1 526 . 1 . 1 50 50 ALA HB1 H 1 1.383 . . . . . . . . 50 ALA HB . 26689 1 527 . 1 . 1 50 50 ALA HB2 H 1 1.383 . . . . . . . . 50 ALA HB . 26689 1 528 . 1 . 1 50 50 ALA HB3 H 1 1.383 . . . . . . . . 50 ALA HB . 26689 1 529 . 1 . 1 50 50 ALA C C 13 177.412 . . . . . . . . 50 ALA C . 26689 1 530 . 1 . 1 50 50 ALA CA C 13 52.620 . . . . . . . . 50 ALA CA . 26689 1 531 . 1 . 1 50 50 ALA CB C 13 19.070 . . . . . . . . 50 ALA CB . 26689 1 532 . 1 . 1 50 50 ALA N N 15 124.413 . . . . . . . . 50 ALA N . 26689 1 533 . 1 . 1 51 51 MET H H 1 8.212 . . . . . . . . 51 MET H . 26689 1 534 . 1 . 1 51 51 MET HA H 1 4.263 . . . . . . . . 51 MET HA . 26689 1 535 . 1 . 1 51 51 MET HB2 H 1 1.987 . . . . . . . . 51 MET QB . 26689 1 536 . 1 . 1 51 51 MET HB3 H 1 1.987 . . . . . . . . 51 MET QB . 26689 1 537 . 1 . 1 51 51 MET C C 13 172.468 . . . . . . . . 51 MET C . 26689 1 538 . 1 . 1 51 51 MET CA C 13 55.272 . . . . . . . . 51 MET CA . 26689 1 539 . 1 . 1 51 51 MET CB C 13 33.143 . . . . . . . . 51 MET CB . 26689 1 540 . 1 . 1 51 51 MET N N 15 119.779 . . . . . . . . 51 MET N . 26689 1 541 . 1 . 1 52 52 LYS H H 1 8.757 . . . . . . . . 52 LYS H . 26689 1 542 . 1 . 1 52 52 LYS CA C 13 56.334 . . . . . . . . 52 LYS CA . 26689 1 543 . 1 . 1 52 52 LYS CB C 13 33.601 . . . . . . . . 52 LYS CB . 26689 1 544 . 1 . 1 52 52 LYS N N 15 124.419 . . . . . . . . 52 LYS N . 26689 1 stop_ save_