data_15968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15968 _Entry.Title ; Backbone chemical shift assignments for the UBA domain of Swa2p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-29 _Entry.Accession_date 2008-09-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edna Matta-Camacho . . . 15968 2 Guennadi Kozlov . . . 15968 3 Jean-Francois Trempe . . . 15968 4 Kalle Gehring . . . 15968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 93 15968 '15N chemical shifts' 46 15968 '1H chemical shifts' 46 15968 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 2 . . 2009-03-04 2008-09-29 update BMRB 'complete entry citation' 15968 1 . . 2008-11-05 2008-09-29 original author 'original release' 15968 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18948116 _Citation.Full_citation . _Citation.Title 'Atypical binding of the Swa2p UBA domain to ubiquitin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 386 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 569 _Citation.Page_last 577 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edna Matta-Camacho . . . 15968 1 2 Guennadi Kozlov . . . 15968 1 3 Jean-Francois Trempe . . . 15968 1 4 Kalle Gehring . . . 15968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15968 _Assembly.ID 1 _Assembly.Name Swa2p _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 'polypeptide chain' 1 $Swa2p A . yes native no no . . . 15968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Swa2p _Entity.Sf_category entity _Entity.Sf_framecode Swa2p _Entity.Entry_ID 15968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Swa2p _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 ; GPLGSALVDEVKDMEIARLM SLGLSIEEATEFYENDVTYE RYLEILKSKQKE ; _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PGY . "Solution Structure Of The Uba Domain In Saccharomyces Cerevisiae Protein, Swa2p" . . . . . 90.38 47 100.00 100.00 8.77e-23 . . . . 15968 1 2 no DBJ GAA22540 . "K7_Swa2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 90.38 668 100.00 100.00 5.27e-21 . . . . 15968 1 3 no EMBL CAY78820 . "Swa2p [Saccharomyces cerevisiae EC1118]" . . . . . 90.38 668 100.00 100.00 5.87e-21 . . . . 15968 1 4 no GB AAB64756 . "Ydr320cp [Saccharomyces cerevisiae]" . . . . . 90.38 668 100.00 100.00 5.81e-21 . . . . 15968 1 5 no GB AHY75293 . "Swa2p [Saccharomyces cerevisiae YJM993]" . . . . . 90.38 668 100.00 100.00 5.75e-21 . . . . 15968 1 6 no GB AJP38020 . "Swa2p [Saccharomyces cerevisiae YJM1078]" . . . . . 90.38 668 100.00 100.00 5.53e-21 . . . . 15968 1 7 no GB AJU58143 . "Swa2p [Saccharomyces cerevisiae YJM189]" . . . . . 90.38 668 100.00 100.00 5.75e-21 . . . . 15968 1 8 no GB AJU58836 . "Swa2p [Saccharomyces cerevisiae YJM193]" . . . . . 90.38 668 100.00 100.00 5.87e-21 . . . . 15968 1 9 no REF NP_010606 . "Swa2p [Saccharomyces cerevisiae S288c]" . . . . . 90.38 668 100.00 100.00 5.81e-21 . . . . 15968 1 10 no SP Q06677 . "RecName: Full=Auxilin-like clathrin uncoating factor SWA2; AltName: Full=Bud site selection protein 24; AltName: Full=DnaJ-rela" . . . . . 90.38 668 100.00 100.00 5.81e-21 . . . . 15968 1 11 no TPG DAA12161 . "TPA: Swa2p [Saccharomyces cerevisiae S288c]" . . . . . 90.38 668 100.00 100.00 5.81e-21 . . . . 15968 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Endocytosis, no clathrin disassembly role in budding yeast.' 15968 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15968 1 2 . PRO . 15968 1 3 . LEU . 15968 1 4 . GLY . 15968 1 5 . SER . 15968 1 6 . ALA . 15968 1 7 . LEU . 15968 1 8 . VAL . 15968 1 9 . ASP . 15968 1 10 . GLU . 15968 1 11 . VAL . 15968 1 12 . LYS . 15968 1 13 . ASP . 15968 1 14 . MET . 15968 1 15 . GLU . 15968 1 16 . ILE . 15968 1 17 . ALA . 15968 1 18 . ARG . 15968 1 19 . LEU . 15968 1 20 . MET . 15968 1 21 . SER . 15968 1 22 . LEU . 15968 1 23 . GLY . 15968 1 24 . LEU . 15968 1 25 . SER . 15968 1 26 . ILE . 15968 1 27 . GLU . 15968 1 28 . GLU . 15968 1 29 . ALA . 15968 1 30 . THR . 15968 1 31 . GLU . 15968 1 32 . PHE . 15968 1 33 . TYR . 15968 1 34 . GLU . 15968 1 35 . ASN . 15968 1 36 . ASP . 15968 1 37 . VAL . 15968 1 38 . THR . 15968 1 39 . TYR . 15968 1 40 . GLU . 15968 1 41 . ARG . 15968 1 42 . TYR . 15968 1 43 . LEU . 15968 1 44 . GLU . 15968 1 45 . ILE . 15968 1 46 . LEU . 15968 1 47 . LYS . 15968 1 48 . SER . 15968 1 49 . LYS . 15968 1 50 . GLN . 15968 1 51 . LYS . 15968 1 52 . GLU . 15968 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 . GLY 1 1 15968 1 . PRO 2 2 15968 1 . LEU 3 3 15968 1 . GLY 4 4 15968 1 . SER 5 5 15968 1 . ALA 6 6 15968 1 . LEU 7 7 15968 1 . VAL 8 8 15968 1 . ASP 9 9 15968 1 . GLU 10 10 15968 1 . VAL 11 11 15968 1 . LYS 12 12 15968 1 . ASP 13 13 15968 1 . MET 14 14 15968 1 . GLU 15 15 15968 1 . ILE 16 16 15968 1 . ALA 17 17 15968 1 . ARG 18 18 15968 1 . LEU 19 19 15968 1 . MET 20 20 15968 1 . SER 21 21 15968 1 . LEU 22 22 15968 1 . GLY 23 23 15968 1 . LEU 24 24 15968 1 . SER 25 25 15968 1 . ILE 26 26 15968 1 . GLU 27 27 15968 1 . GLU 28 28 15968 1 . ALA 29 29 15968 1 . THR 30 30 15968 1 . GLU 31 31 15968 1 . PHE 32 32 15968 1 . TYR 33 33 15968 1 . GLU 34 34 15968 1 . ASN 35 35 15968 1 . ASP 36 36 15968 1 . VAL 37 37 15968 1 . THR 38 38 15968 1 . TYR 39 39 15968 1 . GLU 40 40 15968 1 . ARG 41 41 15968 1 . TYR 42 42 15968 1 . LEU 43 43 15968 1 . GLU 44 44 15968 1 . ILE 45 45 15968 1 . LEU 46 46 15968 1 . LYS 47 47 15968 1 . SER 48 48 15968 1 . LYS 49 49 15968 1 . GLN 50 50 15968 1 . LYS 51 51 15968 1 . GLU 52 52 15968 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 15968 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Swa2p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15968 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 15968 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Swa2p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P1 . . . . . . 15968 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15968 _Sample.ID 1 _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 Swa2p '[U-13C; U-15N]' . . 1 $Swa2p . . 0.5-1.0 . . mM . . . . 15968 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15968 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15968 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 15968 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15968 1 pH 7 . pH 15968 1 pressure 1 . atm 15968 1 temperature 303 . K 15968 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15968 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15968 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15968 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15968 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15968 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15968 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15968 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15968 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15968 3 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 15968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15968 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15968 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 15968 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15968 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15968 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 15968 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.70 na indirect 0.251449530 . . . . . . . . . 15968 1 H 1 water protons . . . . ppm 4.70 internal direct 1 . . . . . . . . . 15968 1 N 15 water protons . . . . ppm 4.70 na indirect 0.101329118 . . . . . . . . . 15968 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 15968 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15968 1 2 '3D HNCACB' . . . 15968 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 ALA CA C 13 52.4 0.20 . 1 . . . . 6 ALA CA . 15968 1 2 . 1 1 6 6 ALA CB C 13 19.2 0.20 . 1 . . . . 6 ALA CB . 15968 1 3 . 1 1 7 7 LEU H H 1 8.28 0.01 . 1 . . . . 7 LEU HN . 15968 1 4 . 1 1 7 7 LEU CA C 13 55.5 0.20 . 1 . . . . 7 LEU CA . 15968 1 5 . 1 1 7 7 LEU CB C 13 42.1 0.20 . 1 . . . . 7 LEU CB . 15968 1 6 . 1 1 7 7 LEU N N 15 121.6 0.25 . 1 . . . . 7 LEU N . 15968 1 7 . 1 1 8 8 VAL H H 1 8.00 0.01 . 1 . . . . 8 VAL HN . 15968 1 8 . 1 1 8 8 VAL CA C 13 62.6 0.20 . 1 . . . . 8 VAL CA . 15968 1 9 . 1 1 8 8 VAL CB C 13 32.8 0.20 . 1 . . . . 8 VAL CB . 15968 1 10 . 1 1 8 8 VAL N N 15 120.4 0.25 . 1 . . . . 8 VAL N . 15968 1 11 . 1 1 9 9 ASP H H 1 8.42 0.01 . 1 . . . . 9 ASP HN . 15968 1 12 . 1 1 9 9 ASP CA C 13 54.3 0.20 . 1 . . . . 9 ASP CA . 15968 1 13 . 1 1 9 9 ASP CB C 13 40.9 0.20 . 1 . . . . 9 ASP CB . 15968 1 14 . 1 1 9 9 ASP N N 15 124.1 0.25 . 1 . . . . 9 ASP N . 15968 1 15 . 1 1 10 10 GLU H H 1 8.47 0.01 . 1 . . . . 10 GLU HN . 15968 1 16 . 1 1 10 10 GLU CA C 13 58.5 0.20 . 1 . . . . 10 GLU CA . 15968 1 17 . 1 1 10 10 GLU CB C 13 29.9 0.20 . 1 . . . . 10 GLU CB . 15968 1 18 . 1 1 10 10 GLU N N 15 121.8 0.25 . 1 . . . . 10 GLU N . 15968 1 19 . 1 1 11 11 VAL H H 1 7.96 0.01 . 1 . . . . 11 VAL HN . 15968 1 20 . 1 1 11 11 VAL CA C 13 65.4 0.20 . 1 . . . . 11 VAL CA . 15968 1 21 . 1 1 11 11 VAL CB C 13 31.7 0.20 . 1 . . . . 11 VAL CB . 15968 1 22 . 1 1 11 11 VAL N N 15 119.9 0.25 . 1 . . . . 11 VAL N . 15968 1 23 . 1 1 12 12 LYS H H 1 7.67 0.01 . 1 . . . . 12 LYS HN . 15968 1 24 . 1 1 12 12 LYS CA C 13 59.4 0.20 . 1 . . . . 12 LYS CA . 15968 1 25 . 1 1 12 12 LYS CB C 13 32.2 0.20 . 1 . . . . 12 LYS CB . 15968 1 26 . 1 1 12 12 LYS N N 15 121.8 0.25 . 1 . . . . 12 LYS N . 15968 1 27 . 1 1 13 13 ASP H H 1 7.98 0.01 . 1 . . . . 13 ASP HN . 15968 1 28 . 1 1 13 13 ASP CA C 13 57.4 0.20 . 1 . . . . 13 ASP CA . 15968 1 29 . 1 1 13 13 ASP CB C 13 40.0 0.20 . 1 . . . . 13 ASP CB . 15968 1 30 . 1 1 13 13 ASP N N 15 116.5 0.25 . 1 . . . . 13 ASP N . 15968 1 31 . 1 1 14 14 MET H H 1 7.87 0.01 . 1 . . . . 14 MET HN . 15968 1 32 . 1 1 14 14 MET CA C 13 58.4 0.20 . 1 . . . . 14 MET CA . 15968 1 33 . 1 1 14 14 MET CB C 13 32.2 0.20 . 1 . . . . 14 MET CB . 15968 1 34 . 1 1 14 14 MET N N 15 119.9 0.25 . 1 . . . . 14 MET N . 15968 1 35 . 1 1 15 15 GLU H H 1 8.35 0.01 . 1 . . . . 15 GLU HN . 15968 1 36 . 1 1 15 15 GLU CA C 13 58.7 0.20 . 1 . . . . 15 GLU CA . 15968 1 37 . 1 1 15 15 GLU CB C 13 29.3 0.20 . 1 . . . . 15 GLU CB . 15968 1 38 . 1 1 15 15 GLU N N 15 121.3 0.25 . 1 . . . . 15 GLU N . 15968 1 39 . 1 1 16 16 ILE H H 1 8.52 0.01 . 1 . . . . 16 ILE HN . 15968 1 40 . 1 1 16 16 ILE CA C 13 65.6 0.20 . 1 . . . . 16 ILE CA . 15968 1 41 . 1 1 16 16 ILE CB C 13 37.1 0.20 . 1 . . . . 16 ILE CB . 15968 1 42 . 1 1 16 16 ILE N N 15 121.5 0.25 . 1 . . . . 16 ILE N . 15968 1 43 . 1 1 17 17 ALA H H 1 7.82 0.01 . 1 . . . . 17 ALA HN . 15968 1 44 . 1 1 17 17 ALA CA C 13 55.3 0.20 . 1 . . . . 17 ALA CA . 15968 1 45 . 1 1 17 17 ALA CB C 13 17.5 0.20 . 1 . . . . 17 ALA CB . 15968 1 46 . 1 1 17 17 ALA N N 15 122.1 0.25 . 1 . . . . 17 ALA N . 15968 1 47 . 1 1 18 18 ARG H H 1 8.06 0.01 . 1 . . . . 18 ARG HN . 15968 1 48 . 1 1 18 18 ARG CA C 13 60.2 0.20 . 1 . . . . 18 ARG CA . 15968 1 49 . 1 1 18 18 ARG CB C 13 29.7 0.20 . 1 . . . . 18 ARG CB . 15968 1 50 . 1 1 18 18 ARG N N 15 119.0 0.25 . 1 . . . . 18 ARG N . 15968 1 51 . 1 1 19 19 LEU H H 1 8.23 0.01 . 1 . . . . 19 LEU HN . 15968 1 52 . 1 1 19 19 LEU CA C 13 59.1 0.20 . 1 . . . . 19 LEU CA . 15968 1 53 . 1 1 19 19 LEU CB C 13 43.0 0.20 . 1 . . . . 19 LEU CB . 15968 1 54 . 1 1 19 19 LEU N N 15 122.7 0.25 . 1 . . . . 19 LEU N . 15968 1 55 . 1 1 20 20 MET H H 1 8.60 0.01 . 1 . . . . 20 MET HN . 15968 1 56 . 1 1 20 20 MET CA C 13 59.3 0.20 . 1 . . . . 20 MET CA . 15968 1 57 . 1 1 20 20 MET CB C 13 32.9 0.20 . 1 . . . . 20 MET CB . 15968 1 58 . 1 1 20 20 MET N N 15 117.1 0.25 . 1 . . . . 20 MET N . 15968 1 59 . 1 1 21 21 SER H H 1 7.92 0.01 . 1 . . . . 21 SER HN . 15968 1 60 . 1 1 21 21 SER CA C 13 61.4 0.20 . 1 . . . . 21 SER CA . 15968 1 61 . 1 1 21 21 SER CB C 13 62.7 0.20 . 1 . . . . 21 SER CB . 15968 1 62 . 1 1 21 21 SER N N 15 117.3 0.25 . 1 . . . . 21 SER N . 15968 1 63 . 1 1 22 22 LEU H H 1 7.49 0.01 . 1 . . . . 22 LEU HN . 15968 1 64 . 1 1 22 22 LEU CA C 13 54.5 0.20 . 1 . . . . 22 LEU CA . 15968 1 65 . 1 1 22 22 LEU CB C 13 41.4 0.20 . 1 . . . . 22 LEU CB . 15968 1 66 . 1 1 22 22 LEU N N 15 121.3 0.25 . 1 . . . . 22 LEU N . 15968 1 67 . 1 1 23 23 GLY H H 1 8.12 0.01 . 1 . . . . 23 GLY HN . 15968 1 68 . 1 1 23 23 GLY CA C 13 44.9 0.20 . 1 . . . . 23 GLY CA . 15968 1 69 . 1 1 23 23 GLY N N 15 107.2 0.25 . 1 . . . . 23 GLY N . 15968 1 70 . 1 1 24 24 LEU H H 1 6.60 0.01 . 1 . . . . 24 LEU HN . 15968 1 71 . 1 1 24 24 LEU CA C 13 54.0 0.20 . 1 . . . . 24 LEU CA . 15968 1 72 . 1 1 24 24 LEU CB C 13 43.8 0.20 . 1 . . . . 24 LEU CB . 15968 1 73 . 1 1 24 24 LEU N N 15 119.9 0.25 . 1 . . . . 24 LEU N . 15968 1 74 . 1 1 25 25 SER H H 1 8.99 0.01 . 1 . . . . 25 SER HN . 15968 1 75 . 1 1 25 25 SER CA C 13 57.1 0.20 . 1 . . . . 25 SER CA . 15968 1 76 . 1 1 25 25 SER CB C 13 65.5 0.20 . 1 . . . . 25 SER CB . 15968 1 77 . 1 1 25 25 SER N N 15 117.6 0.25 . 1 . . . . 25 SER N . 15968 1 78 . 1 1 26 26 ILE H H 1 9.17 0.01 . 1 . . . . 26 ILE HN . 15968 1 79 . 1 1 26 26 ILE CA C 13 64.7 0.20 . 1 . . . . 26 ILE CA . 15968 1 80 . 1 1 26 26 ILE CB C 13 37.7 0.20 . 1 . . . . 26 ILE CB . 15968 1 81 . 1 1 26 26 ILE N N 15 121.3 0.25 . 1 . . . . 26 ILE N . 15968 1 82 . 1 1 27 27 GLU H H 1 8.95 0.01 . 1 . . . . 27 GLU HN . 15968 1 83 . 1 1 27 27 GLU CA C 13 61.1 0.20 . 1 . . . . 27 GLU CA . 15968 1 84 . 1 1 27 27 GLU CB C 13 28.2 0.20 . 1 . . . . 27 GLU CB . 15968 1 85 . 1 1 27 27 GLU N N 15 124.9 0.25 . 1 . . . . 27 GLU N . 15968 1 86 . 1 1 28 28 GLU H H 1 7.76 0.01 . 1 . . . . 28 GLU HN . 15968 1 87 . 1 1 28 28 GLU CA C 13 58.6 0.20 . 1 . . . . 28 GLU CA . 15968 1 88 . 1 1 28 28 GLU CB C 13 31.1 0.20 . 1 . . . . 28 GLU CB . 15968 1 89 . 1 1 28 28 GLU N N 15 120.7 0.25 . 1 . . . . 28 GLU N . 15968 1 90 . 1 1 29 29 ALA H H 1 9.09 0.01 . 1 . . . . 29 ALA HN . 15968 1 91 . 1 1 29 29 ALA CA C 13 55.1 0.20 . 1 . . . . 29 ALA CA . 15968 1 92 . 1 1 29 29 ALA CB C 13 20.6 0.20 . 1 . . . . 29 ALA CB . 15968 1 93 . 1 1 29 29 ALA N N 15 120.2 0.25 . 1 . . . . 29 ALA N . 15968 1 94 . 1 1 30 30 THR H H 1 8.25 0.01 . 1 . . . . 30 THR HN . 15968 1 95 . 1 1 30 30 THR CA C 13 67.5 0.20 . 1 . . . . 30 THR CA . 15968 1 96 . 1 1 30 30 THR CB C 13 68.6 0.20 . 1 . . . . 30 THR CB . 15968 1 97 . 1 1 30 30 THR N N 15 114.0 0.25 . 1 . . . . 30 THR N . 15968 1 98 . 1 1 31 31 GLU H H 1 7.53 0.01 . 1 . . . . 31 GLU HN . 15968 1 99 . 1 1 31 31 GLU CA C 13 59.5 0.20 . 1 . . . . 31 GLU CA . 15968 1 100 . 1 1 31 31 GLU CB C 13 29.2 0.20 . 1 . . . . 31 GLU CB . 15968 1 101 . 1 1 31 31 GLU N N 15 121.6 0.25 . 1 . . . . 31 GLU N . 15968 1 102 . 1 1 32 32 PHE H H 1 8.26 0.01 . 1 . . . . 32 PHE HN . 15968 1 103 . 1 1 32 32 PHE CA C 13 61.5 0.20 . 1 . . . . 32 PHE CA . 15968 1 104 . 1 1 32 32 PHE CB C 13 36.9 0.20 . 1 . . . . 32 PHE CB . 15968 1 105 . 1 1 32 32 PHE N N 15 118.5 0.25 . 1 . . . . 32 PHE N . 15968 1 106 . 1 1 33 33 TYR H H 1 8.64 0.01 . 1 . . . . 33 TYR HN . 15968 1 107 . 1 1 33 33 TYR CA C 13 62.6 0.20 . 1 . . . . 33 TYR CA . 15968 1 108 . 1 1 33 33 TYR CB C 13 38.8 0.20 . 1 . . . . 33 TYR CB . 15968 1 109 . 1 1 33 33 TYR N N 15 121.6 0.25 . 1 . . . . 33 TYR N . 15968 1 110 . 1 1 34 34 GLU H H 1 8.60 0.01 . 1 . . . . 34 GLU HN . 15968 1 111 . 1 1 34 34 GLU CA C 13 58.5 0.20 . 1 . . . . 34 GLU CA . 15968 1 112 . 1 1 34 34 GLU CB C 13 29.0 0.20 . 1 . . . . 34 GLU CB . 15968 1 113 . 1 1 34 34 GLU N N 15 118.7 0.25 . 1 . . . . 34 GLU N . 15968 1 114 . 1 1 35 35 ASN H H 1 7.62 0.01 . 1 . . . . 35 ASN HN . 15968 1 115 . 1 1 35 35 ASN CA C 13 53.0 0.20 . 1 . . . . 35 ASN CA . 15968 1 116 . 1 1 35 35 ASN CB C 13 39.1 0.20 . 1 . . . . 35 ASN CB . 15968 1 117 . 1 1 35 35 ASN N N 15 117.9 0.25 . 1 . . . . 35 ASN N . 15968 1 118 . 1 1 36 36 ASP H H 1 7.83 0.01 . 1 . . . . 36 ASP HN . 15968 1 119 . 1 1 36 36 ASP CA C 13 55.8 0.20 . 1 . . . . 36 ASP CA . 15968 1 120 . 1 1 36 36 ASP CB C 13 39.0 0.20 . 1 . . . . 36 ASP CB . 15968 1 121 . 1 1 36 36 ASP N N 15 113.9 0.25 . 1 . . . . 36 ASP N . 15968 1 122 . 1 1 37 37 VAL H H 1 8.37 0.01 . 1 . . . . 37 VAL HN . 15968 1 123 . 1 1 37 37 VAL CA C 13 63.3 0.20 . 1 . . . . 37 VAL CA . 15968 1 124 . 1 1 37 37 VAL CB C 13 30.8 0.20 . 1 . . . . 37 VAL CB . 15968 1 125 . 1 1 37 37 VAL N N 15 122.4 0.25 . 1 . . . . 37 VAL N . 15968 1 126 . 1 1 38 38 THR H H 1 6.48 0.01 . 1 . . . . 38 THR HN . 15968 1 127 . 1 1 38 38 THR CA C 13 59.7 0.20 . 1 . . . . 38 THR CA . 15968 1 128 . 1 1 38 38 THR CB C 13 71.5 0.20 . 1 . . . . 38 THR CB . 15968 1 129 . 1 1 38 38 THR N N 15 111.1 0.25 . 1 . . . . 38 THR N . 15968 1 130 . 1 1 39 39 TYR H H 1 9.79 0.01 . 1 . . . . 39 TYR HN . 15968 1 131 . 1 1 39 39 TYR CA C 13 62.7 0.20 . 1 . . . . 39 TYR CA . 15968 1 132 . 1 1 39 39 TYR CB C 13 39.4 0.20 . 1 . . . . 39 TYR CB . 15968 1 133 . 1 1 39 39 TYR N N 15 121.8 0.25 . 1 . . . . 39 TYR N . 15968 1 134 . 1 1 40 40 GLU H H 1 8.91 0.01 . 1 . . . . 40 GLU HN . 15968 1 135 . 1 1 40 40 GLU CA C 13 60.7 0.20 . 1 . . . . 40 GLU CA . 15968 1 136 . 1 1 40 40 GLU CB C 13 28.8 0.20 . 1 . . . . 40 GLU CB . 15968 1 137 . 1 1 40 40 GLU N N 15 115.9 0.25 . 1 . . . . 40 GLU N . 15968 1 138 . 1 1 41 41 ARG H H 1 7.52 0.01 . 1 . . . . 41 ARG HN . 15968 1 139 . 1 1 41 41 ARG CA C 13 58.2 0.20 . 1 . . . . 41 ARG CA . 15968 1 140 . 1 1 41 41 ARG CB C 13 30.2 0.20 . 1 . . . . 41 ARG CB . 15968 1 141 . 1 1 41 41 ARG N N 15 119.0 0.25 . 1 . . . . 41 ARG N . 15968 1 142 . 1 1 42 42 TYR H H 1 8.99 0.01 . 1 . . . . 42 TYR HN . 15968 1 143 . 1 1 42 42 TYR CA C 13 61.1 0.20 . 1 . . . . 42 TYR CA . 15968 1 144 . 1 1 42 42 TYR CB C 13 37.7 0.20 . 1 . . . . 42 TYR CB . 15968 1 145 . 1 1 42 42 TYR N N 15 122.4 0.25 . 1 . . . . 42 TYR N . 15968 1 146 . 1 1 43 43 LEU H H 1 8.03 0.01 . 1 . . . . 43 LEU HN . 15968 1 147 . 1 1 43 43 LEU CA C 13 57.9 0.20 . 1 . . . . 43 LEU CA . 15968 1 148 . 1 1 43 43 LEU CB C 13 41.5 0.20 . 1 . . . . 43 LEU CB . 15968 1 149 . 1 1 43 43 LEU N N 15 117.6 0.25 . 1 . . . . 43 LEU N . 15968 1 150 . 1 1 44 44 GLU H H 1 7.19 0.01 . 1 . . . . 44 GLU HN . 15968 1 151 . 1 1 44 44 GLU CA C 13 58.9 0.20 . 1 . . . . 44 GLU CA . 15968 1 152 . 1 1 44 44 GLU CB C 13 29.3 0.20 . 1 . . . . 44 GLU CB . 15968 1 153 . 1 1 44 44 GLU N N 15 117.6 0.25 . 1 . . . . 44 GLU N . 15968 1 154 . 1 1 45 45 ILE H H 1 7.82 0.01 . 1 . . . . 45 ILE HN . 15968 1 155 . 1 1 45 45 ILE CA C 13 65.0 0.20 . 1 . . . . 45 ILE CA . 15968 1 156 . 1 1 45 45 ILE CB C 13 37.7 0.20 . 1 . . . . 45 ILE CB . 15968 1 157 . 1 1 45 45 ILE N N 15 122.7 0.25 . 1 . . . . 45 ILE N . 15968 1 158 . 1 1 46 46 LEU H H 1 8.08 0.01 . 1 . . . . 46 LEU HN . 15968 1 159 . 1 1 46 46 LEU CA C 13 57.5 0.20 . 1 . . . . 46 LEU CA . 15968 1 160 . 1 1 46 46 LEU CB C 13 41.6 0.20 . 1 . . . . 46 LEU CB . 15968 1 161 . 1 1 46 46 LEU N N 15 120.7 0.25 . 1 . . . . 46 LEU N . 15968 1 162 . 1 1 47 47 LYS H H 1 7.78 0.01 . 1 . . . . 47 LYS HN . 15968 1 163 . 1 1 47 47 LYS CA C 13 57.9 0.20 . 1 . . . . 47 LYS CA . 15968 1 164 . 1 1 47 47 LYS CB C 13 32.2 0.20 . 1 . . . . 47 LYS CB . 15968 1 165 . 1 1 47 47 LYS N N 15 118.2 0.25 . 1 . . . . 47 LYS N . 15968 1 166 . 1 1 48 48 SER H H 1 7.73 0.01 . 1 . . . . 48 SER HN . 15968 1 167 . 1 1 48 48 SER CA C 13 60.0 0.20 . 1 . . . . 48 SER CA . 15968 1 168 . 1 1 48 48 SER CB C 13 63.5 0.20 . 1 . . . . 48 SER CB . 15968 1 169 . 1 1 48 48 SER N N 15 114.0 0.25 . 1 . . . . 48 SER N . 15968 1 170 . 1 1 49 49 LYS H H 1 7.59 0.01 . 1 . . . . 49 LYS HN . 15968 1 171 . 1 1 49 49 LYS CA C 13 56.7 0.20 . 1 . . . . 49 LYS CA . 15968 1 172 . 1 1 49 49 LYS CB C 13 32.6 0.20 . 1 . . . . 49 LYS CB . 15968 1 173 . 1 1 49 49 LYS N N 15 121.3 0.25 . 1 . . . . 49 LYS N . 15968 1 174 . 1 1 50 50 GLN H H 1 7.91 0.01 . 1 . . . . 50 GLN HN . 15968 1 175 . 1 1 50 50 GLN CA C 13 55.9 0.20 . 1 . . . . 50 GLN CA . 15968 1 176 . 1 1 50 50 GLN CB C 13 29.0 0.20 . 1 . . . . 50 GLN CB . 15968 1 177 . 1 1 50 50 GLN N N 15 120.1 0.25 . 1 . . . . 50 GLN N . 15968 1 178 . 1 1 51 51 LYS H H 1 8.13 0.01 . 1 . . . . 51 LYS HN . 15968 1 179 . 1 1 51 51 LYS CA C 13 56.1 0.20 . 1 . . . . 51 LYS CA . 15968 1 180 . 1 1 51 51 LYS CB C 13 33.1 0.20 . 1 . . . . 51 LYS CB . 15968 1 181 . 1 1 51 51 LYS N N 15 122.4 0.25 . 1 . . . . 51 LYS N . 15968 1 182 . 1 1 52 52 GLU H H 1 7.96 0.01 . 1 . . . . 52 GLU HN . 15968 1 183 . 1 1 52 52 GLU CA C 13 58.0 0.20 . 1 . . . . 52 GLU CA . 15968 1 184 . 1 1 52 52 GLU CB C 13 31.0 0.20 . 1 . . . . 52 GLU CB . 15968 1 185 . 1 1 52 52 GLU N N 15 127.2 0.25 . 1 . . . . 52 GLU N . 15968 1 stop_ save_