data_26785 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26785 _Entry.Title ; APC11 in complex with Ubiquitin Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-21 _Entry.Accession_date 2016-04-21 _Entry.Last_release_date 2016-04-22 _Entry.Original_release_date 2016-04-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Christy Grace . R. . . 26785 2 Nicholas Brown . G. . . 26785 3 Brenda Schulamn . A. . . 26785 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26785 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 26785 '15N chemical shifts' 64 26785 '1H chemical shifts' 64 26785 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 . . 2018-06-19 . original BMRB . 26785 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26783 UBv 26785 BMRB 26784 UBv-APC11 26785 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26785 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.cell.2016.05.037 _Citation.PubMed_ID 27259151 _Citation.Full_citation . _Citation.Title ; Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 165 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4172 _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 1440 _Citation.Page_last 1453 _Citation.Year 2016 _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 Nicholas Brown N. G. . . 26785 1 2 Ryan VanderLinden R. . . . 26785 1 3 Edmond Watson E. R. . . 26785 1 4 Florian Weissmann F. . . . 26785 1 5 Alban Ordureau A. . . . 26785 1 6 Kuen-Phon Wu K. P. . . 26785 1 7 Wei Zhang W. . . . 26785 1 8 Shanshan Yu S. . . . 26785 1 9 Peter Mercredi P. Y. . . 26785 1 10 Joseph Harrison J. S. . . 26785 1 11 Iain Davidson I. F. . . 26785 1 12 Renping Qiao R. . . . 26785 1 13 Ying Lu Y. . . . 26785 1 14 Prakash Dube P. . . . 26785 1 15 Michael Brunner M. R. . . 26785 1 16 Christy Grace . . . . 26785 1 17 Darcie Miller D. J. . . 26785 1 18 David Haselbach D. . . . 26785 1 19 Marc Jarvis M. A. . . 26785 1 20 Masaya Yamaguchi M. . . . 26785 1 21 David Yanishevski D. . . . 26785 1 22 Georg Petzold G. . . . 26785 1 23 Sachdev Sidhu S. S. . . 26785 1 24 Brian Kuhlman B. . . . 26785 1 25 Marc Kirschner M. W. . . 26785 1 26 'J Wade' Harper J. W. . . 26785 1 27 Jan-Michael Peters J. M. . . 26785 1 28 Holger Stark H. . . . 26785 1 29 Brenda Schulman B. A. . . 26785 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID APC11 26785 1 RING 26785 1 Ubiquitination 26785 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26785 _Assembly.ID 1 _Assembly.Name APC11-UBv _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 APC11-UBv 1 $APC11-UBv A . yes native no no . . . 26785 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APC11-UBv _Entity.Sf_category entity _Entity.Sf_framecode APC11-UBv _Entity.Entry_ID 26785 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APC11-UBv _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 ; GSVANDENCGICRMAFNGCC PDCKVPGDDCPLVWGQCSHC FHMHCILKWLHAQQVQQHCP MCRQEWKFKE ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 1 GLY . 26785 1 2 2 SER . 26785 1 3 3 VAL . 26785 1 4 4 ALA . 26785 1 5 5 ASN . 26785 1 6 6 ASP . 26785 1 7 7 GLU . 26785 1 8 8 ASN . 26785 1 9 9 CYS . 26785 1 10 10 GLY . 26785 1 11 11 ILE . 26785 1 12 12 CYS . 26785 1 13 13 ARG . 26785 1 14 14 MET . 26785 1 15 15 ALA . 26785 1 16 16 PHE . 26785 1 17 17 ASN . 26785 1 18 18 GLY . 26785 1 19 19 CYS . 26785 1 20 20 CYS . 26785 1 21 21 PRO . 26785 1 22 22 ASP . 26785 1 23 23 CYS . 26785 1 24 24 LYS . 26785 1 25 25 VAL . 26785 1 26 26 PRO . 26785 1 27 27 GLY . 26785 1 28 28 ASP . 26785 1 29 29 ASP . 26785 1 30 30 CYS . 26785 1 31 31 PRO . 26785 1 32 32 LEU . 26785 1 33 33 VAL . 26785 1 34 34 TRP . 26785 1 35 35 GLY . 26785 1 36 36 GLN . 26785 1 37 37 CYS . 26785 1 38 38 SER . 26785 1 39 39 HIS . 26785 1 40 40 CYS . 26785 1 41 41 PHE . 26785 1 42 42 HIS . 26785 1 43 43 MET . 26785 1 44 44 HIS . 26785 1 45 45 CYS . 26785 1 46 46 ILE . 26785 1 47 47 LEU . 26785 1 48 48 LYS . 26785 1 49 49 TRP . 26785 1 50 50 LEU . 26785 1 51 51 HIS . 26785 1 52 52 ALA . 26785 1 53 53 GLN . 26785 1 54 54 GLN . 26785 1 55 55 VAL . 26785 1 56 56 GLN . 26785 1 57 57 GLN . 26785 1 58 58 HIS . 26785 1 59 59 CYS . 26785 1 60 60 PRO . 26785 1 61 61 MET . 26785 1 62 62 CYS . 26785 1 63 63 ARG . 26785 1 64 64 GLN . 26785 1 65 65 GLU . 26785 1 66 66 TRP . 26785 1 67 67 LYS . 26785 1 68 68 PHE . 26785 1 69 69 LYS . 26785 1 70 70 GLU . 26785 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 26785 1 . SER 2 2 26785 1 . VAL 3 3 26785 1 . ALA 4 4 26785 1 . ASN 5 5 26785 1 . ASP 6 6 26785 1 . GLU 7 7 26785 1 . ASN 8 8 26785 1 . CYS 9 9 26785 1 . GLY 10 10 26785 1 . ILE 11 11 26785 1 . CYS 12 12 26785 1 . ARG 13 13 26785 1 . MET 14 14 26785 1 . ALA 15 15 26785 1 . PHE 16 16 26785 1 . ASN 17 17 26785 1 . GLY 18 18 26785 1 . CYS 19 19 26785 1 . CYS 20 20 26785 1 . PRO 21 21 26785 1 . ASP 22 22 26785 1 . CYS 23 23 26785 1 . LYS 24 24 26785 1 . VAL 25 25 26785 1 . PRO 26 26 26785 1 . GLY 27 27 26785 1 . ASP 28 28 26785 1 . ASP 29 29 26785 1 . CYS 30 30 26785 1 . PRO 31 31 26785 1 . LEU 32 32 26785 1 . VAL 33 33 26785 1 . TRP 34 34 26785 1 . GLY 35 35 26785 1 . GLN 36 36 26785 1 . CYS 37 37 26785 1 . SER 38 38 26785 1 . HIS 39 39 26785 1 . CYS 40 40 26785 1 . PHE 41 41 26785 1 . HIS 42 42 26785 1 . MET 43 43 26785 1 . HIS 44 44 26785 1 . CYS 45 45 26785 1 . ILE 46 46 26785 1 . LEU 47 47 26785 1 . LYS 48 48 26785 1 . TRP 49 49 26785 1 . LEU 50 50 26785 1 . HIS 51 51 26785 1 . ALA 52 52 26785 1 . GLN 53 53 26785 1 . GLN 54 54 26785 1 . VAL 55 55 26785 1 . GLN 56 56 26785 1 . GLN 57 57 26785 1 . HIS 58 58 26785 1 . CYS 59 59 26785 1 . PRO 60 60 26785 1 . MET 61 61 26785 1 . CYS 62 62 26785 1 . ARG 63 63 26785 1 . GLN 64 64 26785 1 . GLU 65 65 26785 1 . TRP 66 66 26785 1 . LYS 67 67 26785 1 . PHE 68 68 26785 1 . LYS 69 69 26785 1 . GLU 70 70 26785 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 26785 _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 $APC11-UBv . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26785 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 26785 _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 $APC11-UBv . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21 . . . 26785 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26785 _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 APC11 '[U-100% 13C; U-100% 15N]' . . 1 $APC11-UBv . . 0.5 . . mM . . . . 26785 1 2 UBv 'natural abundance' . . . . . . 0.5 . . mM . . . . 26785 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26785 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26785 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26785 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26785 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26785 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26785 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 26785 _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' 100 . mM 26785 1 pH 7.0 . pH 26785 1 pressure 1 . atm 26785 1 temperature 298 . K 26785 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26785 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26785 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26785 1 processing 26785 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26785 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26785 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26785 2 'data analysis' 26785 2 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 26785 _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 26785 _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 . . . 26785 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 26785 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26785 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 26785 _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.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 0.00 na indirect 0.251449530 . . . . . 26785 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26785 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26785 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 26785 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26785 1 3 '3D HNCACB' . . . 26785 1 5 '3D HNCO' . . . 26785 1 7 '3D 1H-15N NOESY' . . . 26785 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 26785 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.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 GLY CA C 13 46.957 0.3 . 1 . . . . . 1 GLY CA . 26785 1 2 . 1 1 2 2 SER CA C 13 58.322 0.3 . 1 . . . . . 2 SER CA . 26785 1 3 . 1 1 2 2 SER CB C 13 64.169 0.3 . 1 . . . . . 2 SER CB . 26785 1 4 . 1 1 3 3 VAL H H 1 8.156 0.020 . 1 . . . . . 3 VAL H . 26785 1 5 . 1 1 3 3 VAL C C 13 175.879 0.3 . 1 . . . . . 3 VAL C . 26785 1 6 . 1 1 3 3 VAL CA C 13 62.138 0.3 . 1 . . . . . 3 VAL CA . 26785 1 7 . 1 1 3 3 VAL CB C 13 32.958 0.3 . 1 . . . . . 3 VAL CB . 26785 1 8 . 1 1 3 3 VAL N N 15 121.226 0.3 . 1 . . . . . 3 VAL N . 26785 1 9 . 1 1 4 4 ALA H H 1 8.286 0.020 . 1 . . . . . 4 ALA H . 26785 1 10 . 1 1 4 4 ALA C C 13 177.497 0.3 . 1 . . . . . 4 ALA C . 26785 1 11 . 1 1 4 4 ALA CA C 13 52.439 0.3 . 1 . . . . . 4 ALA CA . 26785 1 12 . 1 1 4 4 ALA CB C 13 19.424 0.3 . 1 . . . . . 4 ALA CB . 26785 1 13 . 1 1 4 4 ALA N N 15 127.336 0.3 . 1 . . . . . 4 ALA N . 26785 1 14 . 1 1 5 5 ASN H H 1 8.246 0.020 . 1 . . . . . 5 ASN H . 26785 1 15 . 1 1 5 5 ASN C C 13 175.048 0.3 . 1 . . . . . 5 ASN C . 26785 1 16 . 1 1 5 5 ASN CA C 13 53.725 0.3 . 1 . . . . . 5 ASN CA . 26785 1 17 . 1 1 5 5 ASN CB C 13 39.197 0.3 . 1 . . . . . 5 ASN CB . 26785 1 18 . 1 1 5 5 ASN N N 15 117.745 0.3 . 1 . . . . . 5 ASN N . 26785 1 19 . 1 1 6 6 ASP H H 1 8.210 0.020 . 1 . . . . . 6 ASP H . 26785 1 20 . 1 1 6 6 ASP C C 13 176.269 0.3 . 1 . . . . . 6 ASP C . 26785 1 21 . 1 1 6 6 ASP CA C 13 54.497 0.3 . 1 . . . . . 6 ASP CA . 26785 1 22 . 1 1 6 6 ASP CB C 13 41.104 0.3 . 1 . . . . . 6 ASP CB . 26785 1 23 . 1 1 6 6 ASP N N 15 119.908 0.3 . 1 . . . . . 6 ASP N . 26785 1 24 . 1 1 7 7 GLU H H 1 8.068 0.020 . 1 . . . . . 7 GLU H . 26785 1 25 . 1 1 7 7 GLU C C 13 175.006 0.3 . 1 . . . . . 7 GLU C . 26785 1 26 . 1 1 7 7 GLU CA C 13 56.689 0.3 . 1 . . . . . 7 GLU CA . 26785 1 27 . 1 1 7 7 GLU CB C 13 30.379 0.3 . 1 . . . . . 7 GLU CB . 26785 1 28 . 1 1 7 7 GLU N N 15 119.077 0.3 . 1 . . . . . 7 GLU N . 26785 1 29 . 1 1 8 8 ASN H H 1 7.489 0.020 . 1 . . . . . 8 ASN H . 26785 1 30 . 1 1 8 8 ASN C C 13 172.706 0.3 . 1 . . . . . 8 ASN C . 26785 1 31 . 1 1 8 8 ASN CA C 13 51.165 0.3 . 1 . . . . . 8 ASN CA . 26785 1 32 . 1 1 8 8 ASN CB C 13 40.702 0.3 . 1 . . . . . 8 ASN CB . 26785 1 33 . 1 1 8 8 ASN N N 15 116.840 0.3 . 1 . . . . . 8 ASN N . 26785 1 34 . 1 1 9 9 CYS H H 1 7.563 0.020 . 1 . . . . . 9 CYS H . 26785 1 35 . 1 1 9 9 CYS C C 13 178.370 0.3 . 1 . . . . . 9 CYS C . 26785 1 36 . 1 1 9 9 CYS CA C 13 59.552 0.3 . 1 . . . . . 9 CYS CA . 26785 1 37 . 1 1 9 9 CYS CB C 13 31.526 0.3 . 1 . . . . . 9 CYS CB . 26785 1 38 . 1 1 9 9 CYS N N 15 122.867 0.3 . 1 . . . . . 9 CYS N . 26785 1 39 . 1 1 10 10 GLY H H 1 9.231 0.020 . 1 . . . . . 10 GLY H . 26785 1 40 . 1 1 10 10 GLY C C 13 174.111 0.3 . 1 . . . . . 10 GLY C . 26785 1 41 . 1 1 10 10 GLY CA C 13 46.967 0.3 . 1 . . . . . 10 GLY CA . 26785 1 42 . 1 1 10 10 GLY N N 15 117.330 0.3 . 1 . . . . . 10 GLY N . 26785 1 43 . 1 1 11 11 ILE H H 1 8.247 0.020 . 1 . . . . . 11 ILE H . 26785 1 44 . 1 1 11 11 ILE C C 13 176.121 0.3 . 1 . . . . . 11 ILE C . 26785 1 45 . 1 1 11 11 ILE CA C 13 64.041 0.3 . 1 . . . . . 11 ILE CA . 26785 1 46 . 1 1 11 11 ILE CB C 13 39.411 0.3 . 1 . . . . . 11 ILE CB . 26785 1 47 . 1 1 11 11 ILE N N 15 119.716 0.3 . 1 . . . . . 11 ILE N . 26785 1 48 . 1 1 12 12 CYS H H 1 7.567 0.020 . 1 . . . . . 12 CYS H . 26785 1 49 . 1 1 12 12 CYS C C 13 175.975 0.3 . 1 . . . . . 12 CYS C . 26785 1 50 . 1 1 12 12 CYS CA C 13 59.225 0.3 . 1 . . . . . 12 CYS CA . 26785 1 51 . 1 1 12 12 CYS CB C 13 32.246 0.3 . 1 . . . . . 12 CYS CB . 26785 1 52 . 1 1 12 12 CYS N N 15 116.656 0.3 . 1 . . . . . 12 CYS N . 26785 1 53 . 1 1 13 13 ARG H H 1 7.968 0.020 . 1 . . . . . 13 ARG H . 26785 1 54 . 1 1 13 13 ARG C C 13 174.979 0.3 . 1 . . . . . 13 ARG C . 26785 1 55 . 1 1 13 13 ARG CA C 13 57.636 0.3 . 1 . . . . . 13 ARG CA . 26785 1 56 . 1 1 13 13 ARG CB C 13 26.326 0.3 . 1 . . . . . 13 ARG CB . 26785 1 57 . 1 1 13 13 ARG N N 15 116.085 0.3 . 1 . . . . . 13 ARG N . 26785 1 58 . 1 1 14 14 MET H H 1 8.624 0.020 . 1 . . . . . 14 MET H . 26785 1 59 . 1 1 14 14 MET C C 13 176.143 0.3 . 1 . . . . . 14 MET C . 26785 1 60 . 1 1 14 14 MET CA C 13 54.448 0.3 . 1 . . . . . 14 MET CA . 26785 1 61 . 1 1 14 14 MET CB C 13 33.951 0.3 . 1 . . . . . 14 MET CB . 26785 1 62 . 1 1 14 14 MET N N 15 119.313 0.3 . 1 . . . . . 14 MET N . 26785 1 63 . 1 1 15 15 ALA H H 1 7.958 0.020 . 1 . . . . . 15 ALA H . 26785 1 64 . 1 1 15 15 ALA C C 13 180.117 0.3 . 1 . . . . . 15 ALA C . 26785 1 65 . 1 1 15 15 ALA CA C 13 52.813 0.3 . 1 . . . . . 15 ALA CA . 26785 1 66 . 1 1 15 15 ALA CB C 13 19.487 0.3 . 1 . . . . . 15 ALA CB . 26785 1 67 . 1 1 15 15 ALA N N 15 122.599 0.3 . 1 . . . . . 15 ALA N . 26785 1 68 . 1 1 16 16 PHE H H 1 8.079 0.020 . 1 . . . . . 16 PHE H . 26785 1 69 . 1 1 16 16 PHE C C 13 176.423 0.3 . 1 . . . . . 16 PHE C . 26785 1 70 . 1 1 16 16 PHE CA C 13 59.420 0.3 . 1 . . . . . 16 PHE CA . 26785 1 71 . 1 1 16 16 PHE CB C 13 38.390 0.3 . 1 . . . . . 16 PHE CB . 26785 1 72 . 1 1 16 16 PHE N N 15 119.194 0.3 . 1 . . . . . 16 PHE N . 26785 1 73 . 1 1 17 17 ASN H H 1 7.815 0.020 . 1 . . . . . 17 ASN H . 26785 1 74 . 1 1 17 17 ASN C C 13 175.337 0.3 . 1 . . . . . 17 ASN C . 26785 1 75 . 1 1 17 17 ASN CA C 13 52.961 0.3 . 1 . . . . . 17 ASN CA . 26785 1 76 . 1 1 17 17 ASN CB C 13 37.174 0.3 . 1 . . . . . 17 ASN CB . 26785 1 77 . 1 1 17 17 ASN N N 15 112.218 0.3 . 1 . . . . . 17 ASN N . 26785 1 78 . 1 1 18 18 GLY H H 1 7.570 0.020 . 1 . . . . . 18 GLY H . 26785 1 79 . 1 1 18 18 GLY C C 13 173.759 0.3 . 1 . . . . . 18 GLY C . 26785 1 80 . 1 1 18 18 GLY CA C 13 44.464 0.3 . 1 . . . . . 18 GLY CA . 26785 1 81 . 1 1 18 18 GLY N N 15 107.707 0.3 . 1 . . . . . 18 GLY N . 26785 1 82 . 1 1 19 19 CYS H H 1 8.203 0.020 . 1 . . . . . 19 CYS H . 26785 1 83 . 1 1 19 19 CYS C C 13 174.039 0.3 . 1 . . . . . 19 CYS C . 26785 1 84 . 1 1 19 19 CYS CA C 13 58.433 0.3 . 1 . . . . . 19 CYS CA . 26785 1 85 . 1 1 19 19 CYS CB C 13 30.681 0.3 . 1 . . . . . 19 CYS CB . 26785 1 86 . 1 1 19 19 CYS N N 15 117.050 0.3 . 1 . . . . . 19 CYS N . 26785 1 87 . 1 1 20 20 CYS H H 1 8.416 0.020 . 1 . . . . . 20 CYS H . 26785 1 88 . 1 1 20 20 CYS C C 13 173.736 0.3 . 1 . . . . . 20 CYS C . 26785 1 89 . 1 1 20 20 CYS CA C 13 57.999 0.3 . 1 . . . . . 20 CYS CA . 26785 1 90 . 1 1 20 20 CYS CB C 13 28.205 0.3 . 1 . . . . . 20 CYS CB . 26785 1 91 . 1 1 20 20 CYS N N 15 123.804 0.3 . 1 . . . . . 20 CYS N . 26785 1 92 . 1 1 21 21 PRO CA C 13 65.426 0.3 . 1 . . . . . 21 PRO CA . 26785 1 93 . 1 1 21 21 PRO CB C 13 32.801 0.3 . 1 . . . . . 21 PRO CB . 26785 1 94 . 1 1 22 22 ASP H H 1 8.403 0.020 . 1 . . . . . 22 ASP H . 26785 1 95 . 1 1 22 22 ASP C C 13 176.501 0.3 . 1 . . . . . 22 ASP C . 26785 1 96 . 1 1 22 22 ASP CA C 13 55.017 0.3 . 1 . . . . . 22 ASP CA . 26785 1 97 . 1 1 22 22 ASP CB C 13 42.522 0.3 . 1 . . . . . 22 ASP CB . 26785 1 98 . 1 1 22 22 ASP N N 15 117.101 0.3 . 1 . . . . . 22 ASP N . 26785 1 99 . 1 1 23 23 CYS H H 1 7.229 0.020 . 1 . . . . . 23 CYS H . 26785 1 100 . 1 1 23 23 CYS C C 13 175.214 0.3 . 1 . . . . . 23 CYS C . 26785 1 101 . 1 1 23 23 CYS CA C 13 61.633 0.3 . 1 . . . . . 23 CYS CA . 26785 1 102 . 1 1 23 23 CYS CB C 13 31.542 0.3 . 1 . . . . . 23 CYS CB . 26785 1 103 . 1 1 23 23 CYS N N 15 123.245 0.3 . 1 . . . . . 23 CYS N . 26785 1 104 . 1 1 24 24 LYS H H 1 8.169 0.020 . 1 . . . . . 24 LYS H . 26785 1 105 . 1 1 24 24 LYS C C 13 177.106 0.3 . 1 . . . . . 24 LYS C . 26785 1 106 . 1 1 24 24 LYS CA C 13 56.764 0.3 . 1 . . . . . 24 LYS CA . 26785 1 107 . 1 1 24 24 LYS CB C 13 34.615 0.3 . 1 . . . . . 24 LYS CB . 26785 1 108 . 1 1 24 24 LYS N N 15 117.420 0.3 . 1 . . . . . 24 LYS N . 26785 1 109 . 1 1 25 25 VAL H H 1 7.775 0.020 . 1 . . . . . 25 VAL H . 26785 1 110 . 1 1 25 25 VAL C C 13 174.027 0.3 . 1 . . . . . 25 VAL C . 26785 1 111 . 1 1 25 25 VAL CA C 13 59.523 0.3 . 1 . . . . . 25 VAL CA . 26785 1 112 . 1 1 25 25 VAL CB C 13 33.507 0.3 . 1 . . . . . 25 VAL CB . 26785 1 113 . 1 1 25 25 VAL N N 15 120.554 0.3 . 1 . . . . . 25 VAL N . 26785 1 114 . 1 1 26 26 PRO CA C 13 63.279 0.3 . 1 . . . . . 26 PRO CA . 26785 1 115 . 1 1 26 26 PRO CB C 13 32.077 0.3 . 1 . . . . . 26 PRO CB . 26785 1 116 . 1 1 27 27 GLY H H 1 8.556 0.020 . 1 . . . . . 27 GLY H . 26785 1 117 . 1 1 27 27 GLY C C 13 175.169 0.3 . 1 . . . . . 27 GLY C . 26785 1 118 . 1 1 27 27 GLY CA C 13 45.042 0.3 . 1 . . . . . 27 GLY CA . 26785 1 119 . 1 1 27 27 GLY N N 15 109.843 0.3 . 1 . . . . . 27 GLY N . 26785 1 120 . 1 1 28 28 ASP H H 1 8.227 0.020 . 1 . . . . . 28 ASP H . 26785 1 121 . 1 1 28 28 ASP C C 13 176.602 0.3 . 1 . . . . . 28 ASP C . 26785 1 122 . 1 1 28 28 ASP CA C 13 56.559 0.3 . 1 . . . . . 28 ASP CA . 26785 1 123 . 1 1 28 28 ASP CB C 13 40.912 0.3 . 1 . . . . . 28 ASP CB . 26785 1 124 . 1 1 28 28 ASP N N 15 122.449 0.3 . 1 . . . . . 28 ASP N . 26785 1 125 . 1 1 29 29 ASP H H 1 8.291 0.020 . 1 . . . . . 29 ASP H . 26785 1 126 . 1 1 29 29 ASP C C 13 175.505 0.3 . 1 . . . . . 29 ASP C . 26785 1 127 . 1 1 29 29 ASP CA C 13 55.266 0.3 . 1 . . . . . 29 ASP CA . 26785 1 128 . 1 1 29 29 ASP CB C 13 41.225 0.3 . 1 . . . . . 29 ASP CB . 26785 1 129 . 1 1 29 29 ASP N N 15 117.452 0.3 . 1 . . . . . 29 ASP N . 26785 1 130 . 1 1 30 30 CYS H H 1 7.915 0.020 . 1 . . . . . 30 CYS H . 26785 1 131 . 1 1 30 30 CYS C C 13 171.755 0.3 . 1 . . . . . 30 CYS C . 26785 1 132 . 1 1 30 30 CYS CA C 13 58.058 0.3 . 1 . . . . . 30 CYS CA . 26785 1 133 . 1 1 30 30 CYS CB C 13 29.154 0.3 . 1 . . . . . 30 CYS CB . 26785 1 134 . 1 1 30 30 CYS N N 15 124.220 0.3 . 1 . . . . . 30 CYS N . 26785 1 135 . 1 1 31 31 PRO CA C 13 62.875 0.3 . 1 . . . . . 31 PRO CA . 26785 1 136 . 1 1 31 31 PRO CB C 13 33.984 0.3 . 1 . . . . . 31 PRO CB . 26785 1 137 . 1 1 32 32 LEU H H 1 8.643 0.020 . 1 . . . . . 32 LEU H . 26785 1 138 . 1 1 32 32 LEU C C 13 176.554 0.3 . 1 . . . . . 32 LEU C . 26785 1 139 . 1 1 32 32 LEU CA C 13 53.921 0.3 . 1 . . . . . 32 LEU CA . 26785 1 140 . 1 1 32 32 LEU CB C 13 43.336 0.3 . 1 . . . . . 32 LEU CB . 26785 1 141 . 1 1 32 32 LEU N N 15 120.262 0.3 . 1 . . . . . 32 LEU N . 26785 1 142 . 1 1 33 33 VAL H H 1 8.439 0.020 . 1 . . . . . 33 VAL H . 26785 1 143 . 1 1 33 33 VAL C C 13 172.315 0.3 . 1 . . . . . 33 VAL C . 26785 1 144 . 1 1 33 33 VAL CA C 13 59.829 0.3 . 1 . . . . . 33 VAL CA . 26785 1 145 . 1 1 33 33 VAL CB C 13 36.448 0.3 . 1 . . . . . 33 VAL CB . 26785 1 146 . 1 1 33 33 VAL N N 15 112.433 0.3 . 1 . . . . . 33 VAL N . 26785 1 147 . 1 1 34 34 TRP H H 1 9.000 0.020 . 1 . . . . . 34 TRP H . 26785 1 148 . 1 1 34 34 TRP C C 13 176.591 0.3 . 1 . . . . . 34 TRP C . 26785 1 149 . 1 1 34 34 TRP CA C 13 57.513 0.3 . 1 . . . . . 34 TRP CA . 26785 1 150 . 1 1 34 34 TRP CB C 13 33.780 0.3 . 1 . . . . . 34 TRP CB . 26785 1 151 . 1 1 34 34 TRP N N 15 120.329 0.3 . 1 . . . . . 34 TRP N . 26785 1 152 . 1 1 35 35 GLY H H 1 8.670 0.020 . 1 . . . . . 35 GLY H . 26785 1 153 . 1 1 35 35 GLY C C 13 177.144 0.3 . 1 . . . . . 35 GLY C . 26785 1 154 . 1 1 35 35 GLY CA C 13 44.070 0.3 . 1 . . . . . 35 GLY CA . 26785 1 155 . 1 1 35 35 GLY N N 15 106.826 0.3 . 1 . . . . . 35 GLY N . 26785 1 156 . 1 1 36 36 GLN H H 1 7.923 0.020 . 1 . . . . . 36 GLN H . 26785 1 157 . 1 1 36 36 GLN C C 13 175.909 0.3 . 1 . . . . . 36 GLN C . 26785 1 158 . 1 1 36 36 GLN CA C 13 58.262 0.3 . 1 . . . . . 36 GLN CA . 26785 1 159 . 1 1 36 36 GLN CB C 13 27.631 0.3 . 1 . . . . . 36 GLN CB . 26785 1 160 . 1 1 36 36 GLN N N 15 122.576 0.3 . 1 . . . . . 36 GLN N . 26785 1 161 . 1 1 37 37 CYS H H 1 7.636 0.020 . 1 . . . . . 37 CYS H . 26785 1 162 . 1 1 37 37 CYS C C 13 175.117 0.3 . 1 . . . . . 37 CYS C . 26785 1 163 . 1 1 37 37 CYS CA C 13 58.807 0.3 . 1 . . . . . 37 CYS CA . 26785 1 164 . 1 1 37 37 CYS CB C 13 31.143 0.3 . 1 . . . . . 37 CYS CB . 26785 1 165 . 1 1 37 37 CYS N N 15 116.261 0.3 . 1 . . . . . 37 CYS N . 26785 1 166 . 1 1 38 38 SER H H 1 7.759 0.020 . 1 . . . . . 38 SER H . 26785 1 167 . 1 1 38 38 SER C C 13 173.389 0.3 . 1 . . . . . 38 SER C . 26785 1 168 . 1 1 38 38 SER CA C 13 62.285 0.3 . 1 . . . . . 38 SER CA . 26785 1 169 . 1 1 38 38 SER N N 15 114.474 0.3 . 1 . . . . . 38 SER N . 26785 1 170 . 1 1 39 39 HIS H H 1 7.930 0.020 . 1 . . . . . 39 HIS H . 26785 1 171 . 1 1 39 39 HIS C C 13 172.463 0.3 . 1 . . . . . 39 HIS C . 26785 1 172 . 1 1 39 39 HIS CA C 13 61.320 0.3 . 1 . . . . . 39 HIS CA . 26785 1 173 . 1 1 39 39 HIS CB C 13 31.523 0.3 . 1 . . . . . 39 HIS CB . 26785 1 174 . 1 1 39 39 HIS N N 15 121.942 0.3 . 1 . . . . . 39 HIS N . 26785 1 175 . 1 1 40 40 CYS H H 1 8.061 0.020 . 1 . . . . . 40 CYS H . 26785 1 176 . 1 1 40 40 CYS C C 13 172.149 0.3 . 1 . . . . . 40 CYS C . 26785 1 177 . 1 1 40 40 CYS CA C 13 55.504 0.3 . 1 . . . . . 40 CYS CA . 26785 1 178 . 1 1 40 40 CYS CB C 13 28.964 0.3 . 1 . . . . . 40 CYS CB . 26785 1 179 . 1 1 40 40 CYS N N 15 121.951 0.3 . 1 . . . . . 40 CYS N . 26785 1 180 . 1 1 41 41 PHE H H 1 8.288 0.020 . 1 . . . . . 41 PHE H . 26785 1 181 . 1 1 41 41 PHE C C 13 176.739 0.3 . 1 . . . . . 41 PHE C . 26785 1 182 . 1 1 41 41 PHE CA C 13 56.033 0.3 . 1 . . . . . 41 PHE CA . 26785 1 183 . 1 1 41 41 PHE CB C 13 45.760 0.3 . 1 . . . . . 41 PHE CB . 26785 1 184 . 1 1 41 41 PHE N N 15 120.496 0.3 . 1 . . . . . 41 PHE N . 26785 1 185 . 1 1 42 42 HIS H H 1 8.315 0.020 . 1 . . . . . 42 HIS H . 26785 1 186 . 1 1 42 42 HIS C C 13 177.464 0.3 . 1 . . . . . 42 HIS C . 26785 1 187 . 1 1 42 42 HIS CA C 13 60.425 0.3 . 1 . . . . . 42 HIS CA . 26785 1 188 . 1 1 42 42 HIS CB C 13 29.740 0.3 . 1 . . . . . 42 HIS CB . 26785 1 189 . 1 1 42 42 HIS N N 15 117.057 0.3 . 1 . . . . . 42 HIS N . 26785 1 190 . 1 1 43 43 MET H H 1 9.522 0.020 . 1 . . . . . 43 MET H . 26785 1 191 . 1 1 43 43 MET C C 13 177.845 0.3 . 1 . . . . . 43 MET C . 26785 1 192 . 1 1 43 43 MET CA C 13 59.625 0.3 . 1 . . . . . 43 MET CA . 26785 1 193 . 1 1 43 43 MET CB C 13 33.009 0.3 . 1 . . . . . 43 MET CB . 26785 1 194 . 1 1 43 43 MET N N 15 128.306 0.3 . 1 . . . . . 43 MET N . 26785 1 195 . 1 1 44 44 HIS H H 1 9.698 0.020 . 1 . . . . . 44 HIS H . 26785 1 196 . 1 1 44 44 HIS C C 13 177.531 0.3 . 1 . . . . . 44 HIS C . 26785 1 197 . 1 1 44 44 HIS CA C 13 59.046 0.3 . 1 . . . . . 44 HIS CA . 26785 1 198 . 1 1 44 44 HIS CB C 13 32.747 0.3 . 1 . . . . . 44 HIS CB . 26785 1 199 . 1 1 44 44 HIS N N 15 116.814 0.3 . 1 . . . . . 44 HIS N . 26785 1 200 . 1 1 45 45 CYS H H 1 6.792 0.020 . 1 . . . . . 45 CYS H . 26785 1 201 . 1 1 45 45 CYS C C 13 177.715 0.3 . 1 . . . . . 45 CYS C . 26785 1 202 . 1 1 45 45 CYS CA C 13 63.235 0.3 . 1 . . . . . 45 CYS CA . 26785 1 203 . 1 1 45 45 CYS CB C 13 29.102 0.3 . 1 . . . . . 45 CYS CB . 26785 1 204 . 1 1 45 45 CYS N N 15 116.180 0.3 . 1 . . . . . 45 CYS N . 26785 1 205 . 1 1 46 46 ILE H H 1 7.679 0.020 . 1 . . . . . 46 ILE H . 26785 1 206 . 1 1 46 46 ILE C C 13 176.613 0.3 . 1 . . . . . 46 ILE C . 26785 1 207 . 1 1 46 46 ILE CA C 13 59.897 0.3 . 1 . . . . . 46 ILE CA . 26785 1 208 . 1 1 46 46 ILE CB C 13 37.319 0.3 . 1 . . . . . 46 ILE CB . 26785 1 209 . 1 1 46 46 ILE N N 15 118.187 0.3 . 1 . . . . . 46 ILE N . 26785 1 210 . 1 1 47 47 LEU H H 1 8.226 0.020 . 1 . . . . . 47 LEU H . 26785 1 211 . 1 1 47 47 LEU C C 13 178.729 0.3 . 1 . . . . . 47 LEU C . 26785 1 212 . 1 1 47 47 LEU CA C 13 58.262 0.3 . 1 . . . . . 47 LEU CA . 26785 1 213 . 1 1 47 47 LEU CB C 13 41.123 0.3 . 1 . . . . . 47 LEU CB . 26785 1 214 . 1 1 47 47 LEU N N 15 122.548 0.3 . 1 . . . . . 47 LEU N . 26785 1 215 . 1 1 48 48 LYS H H 1 7.198 0.020 . 1 . . . . . 48 LYS H . 26785 1 216 . 1 1 48 48 LYS C C 13 179.743 0.3 . 1 . . . . . 48 LYS C . 26785 1 217 . 1 1 48 48 LYS CA C 13 60.442 0.3 . 1 . . . . . 48 LYS CA . 26785 1 218 . 1 1 48 48 LYS CB C 13 32.198 0.3 . 1 . . . . . 48 LYS CB . 26785 1 219 . 1 1 48 48 LYS N N 15 118.587 0.3 . 1 . . . . . 48 LYS N . 26785 1 220 . 1 1 49 49 TRP H H 1 7.329 0.020 . 1 . . . . . 49 TRP H . 26785 1 221 . 1 1 49 49 TRP C C 13 178.010 0.3 . 1 . . . . . 49 TRP C . 26785 1 222 . 1 1 49 49 TRP CA C 13 60.545 0.3 . 1 . . . . . 49 TRP CA . 26785 1 223 . 1 1 49 49 TRP CB C 13 28.734 0.3 . 1 . . . . . 49 TRP CB . 26785 1 224 . 1 1 49 49 TRP N N 15 119.692 0.3 . 1 . . . . . 49 TRP N . 26785 1 225 . 1 1 50 50 LEU H H 1 8.592 0.020 . 1 . . . . . 50 LEU H . 26785 1 226 . 1 1 50 50 LEU C C 13 180.240 0.3 . 1 . . . . . 50 LEU C . 26785 1 227 . 1 1 50 50 LEU CA C 13 57.817 0.3 . 1 . . . . . 50 LEU CA . 26785 1 228 . 1 1 50 50 LEU CB C 13 42.361 0.3 . 1 . . . . . 50 LEU CB . 26785 1 229 . 1 1 50 50 LEU N N 15 118.068 0.3 . 1 . . . . . 50 LEU N . 26785 1 230 . 1 1 51 51 HIS H H 1 8.301 0.020 . 1 . . . . . 51 HIS H . 26785 1 231 . 1 1 51 51 HIS C C 13 177.089 0.3 . 1 . . . . . 51 HIS C . 26785 1 232 . 1 1 51 51 HIS CA C 13 60.749 0.3 . 1 . . . . . 51 HIS CA . 26785 1 233 . 1 1 51 51 HIS CB C 13 31.015 0.3 . 1 . . . . . 51 HIS CB . 26785 1 234 . 1 1 51 51 HIS N N 15 116.358 0.3 . 1 . . . . . 51 HIS N . 26785 1 235 . 1 1 52 52 ALA H H 1 6.899 0.020 . 1 . . . . . 52 ALA H . 26785 1 236 . 1 1 52 52 ALA C C 13 178.453 0.3 . 1 . . . . . 52 ALA C . 26785 1 237 . 1 1 52 52 ALA CA C 13 52.865 0.3 . 1 . . . . . 52 ALA CA . 26785 1 238 . 1 1 52 52 ALA CB C 13 18.951 0.3 . 1 . . . . . 52 ALA CB . 26785 1 239 . 1 1 52 52 ALA N N 15 117.533 0.3 . 1 . . . . . 52 ALA N . 26785 1 240 . 1 1 53 53 GLN H H 1 7.001 0.020 . 1 . . . . . 53 GLN H . 26785 1 241 . 1 1 53 53 GLN C C 13 177.107 0.3 . 1 . . . . . 53 GLN C . 26785 1 242 . 1 1 53 53 GLN CA C 13 57.207 0.3 . 1 . . . . . 53 GLN CA . 26785 1 243 . 1 1 53 53 GLN CB C 13 29.735 0.3 . 1 . . . . . 53 GLN CB . 26785 1 244 . 1 1 53 53 GLN N N 15 116.637 0.3 . 1 . . . . . 53 GLN N . 26785 1 245 . 1 1 54 54 GLN H H 1 8.865 0.020 . 1 . . . . . 54 GLN H . 26785 1 246 . 1 1 54 54 GLN C C 13 175.301 0.3 . 1 . . . . . 54 GLN C . 26785 1 247 . 1 1 54 54 GLN CA C 13 55.399 0.3 . 1 . . . . . 54 GLN CA . 26785 1 248 . 1 1 54 54 GLN CB C 13 29.350 0.3 . 1 . . . . . 54 GLN CB . 26785 1 249 . 1 1 54 54 GLN N N 15 122.116 0.3 . 1 . . . . . 54 GLN N . 26785 1 250 . 1 1 55 55 VAL H H 1 6.735 0.020 . 1 . . . . . 55 VAL H . 26785 1 251 . 1 1 55 55 VAL C C 13 173.882 0.3 . 1 . . . . . 55 VAL C . 26785 1 252 . 1 1 55 55 VAL CA C 13 59.520 0.3 . 1 . . . . . 55 VAL CA . 26785 1 253 . 1 1 55 55 VAL CB C 13 34.431 0.3 . 1 . . . . . 55 VAL CB . 26785 1 254 . 1 1 55 55 VAL N N 15 111.544 0.3 . 1 . . . . . 55 VAL N . 26785 1 255 . 1 1 56 56 GLN H H 1 7.931 0.020 . 1 . . . . . 56 GLN H . 26785 1 256 . 1 1 56 56 GLN C C 13 176.259 0.3 . 1 . . . . . 56 GLN C . 26785 1 257 . 1 1 56 56 GLN CA C 13 55.842 0.3 . 1 . . . . . 56 GLN CA . 26785 1 258 . 1 1 56 56 GLN CB C 13 28.426 0.3 . 1 . . . . . 56 GLN CB . 26785 1 259 . 1 1 56 56 GLN N N 15 118.984 0.3 . 1 . . . . . 56 GLN N . 26785 1 260 . 1 1 57 57 GLN H H 1 8.314 0.020 . 1 . . . . . 57 GLN H . 26785 1 261 . 1 1 57 57 GLN C C 13 177.789 0.3 . 1 . . . . . 57 GLN C . 26785 1 262 . 1 1 57 57 GLN CA C 13 56.559 0.3 . 1 . . . . . 57 GLN CA . 26785 1 263 . 1 1 57 57 GLN CB C 13 28.793 0.3 . 1 . . . . . 57 GLN CB . 26785 1 264 . 1 1 57 57 GLN N N 15 124.776 0.3 . 1 . . . . . 57 GLN N . 26785 1 265 . 1 1 58 58 HIS H H 1 8.692 0.020 . 1 . . . . . 58 HIS H . 26785 1 266 . 1 1 58 58 HIS C C 13 172.592 0.3 . 1 . . . . . 58 HIS C . 26785 1 267 . 1 1 58 58 HIS CA C 13 54.822 0.3 . 1 . . . . . 58 HIS CA . 26785 1 268 . 1 1 58 58 HIS CB C 13 31.904 0.3 . 1 . . . . . 58 HIS CB . 26785 1 269 . 1 1 58 58 HIS N N 15 120.725 0.3 . 1 . . . . . 58 HIS N . 26785 1 270 . 1 1 59 59 CYS H H 1 9.020 0.020 . 1 . . . . . 59 CYS H . 26785 1 271 . 1 1 59 59 CYS C C 13 176.075 0.3 . 1 . . . . . 59 CYS C . 26785 1 272 . 1 1 59 59 CYS CA C 13 56.591 0.3 . 1 . . . . . 59 CYS CA . 26785 1 273 . 1 1 59 59 CYS CB C 13 32.642 0.3 . 1 . . . . . 59 CYS CB . 26785 1 274 . 1 1 59 59 CYS N N 15 121.900 0.3 . 1 . . . . . 59 CYS N . 26785 1 275 . 1 1 60 60 PRO CA C 13 64.661 0.3 . 1 . . . . . 60 PRO CA . 26785 1 276 . 1 1 60 60 PRO CB C 13 29.939 0.3 . 1 . . . . . 60 PRO CB . 26785 1 277 . 1 1 61 61 MET H H 1 9.007 0.020 . 1 . . . . . 61 MET H . 26785 1 278 . 1 1 61 61 MET C C 13 177.117 0.3 . 1 . . . . . 61 MET C . 26785 1 279 . 1 1 61 61 MET CA C 13 56.832 0.3 . 1 . . . . . 61 MET CA . 26785 1 280 . 1 1 61 61 MET CB C 13 32.940 0.3 . 1 . . . . . 61 MET CB . 26785 1 281 . 1 1 61 61 MET N N 15 118.068 0.3 . 1 . . . . . 61 MET N . 26785 1 282 . 1 1 62 62 CYS H H 1 8.092 0.020 . 1 . . . . . 62 CYS H . 26785 1 283 . 1 1 62 62 CYS C C 13 175.928 0.3 . 1 . . . . . 62 CYS C . 26785 1 284 . 1 1 62 62 CYS CA C 13 58.535 0.3 . 1 . . . . . 62 CYS CA . 26785 1 285 . 1 1 62 62 CYS CB C 13 32.776 0.3 . 1 . . . . . 62 CYS CB . 26785 1 286 . 1 1 62 62 CYS N N 15 117.158 0.3 . 1 . . . . . 62 CYS N . 26785 1 287 . 1 1 63 63 ARG H H 1 8.129 0.020 . 1 . . . . . 63 ARG H . 26785 1 288 . 1 1 63 63 ARG C C 13 175.326 0.3 . 1 . . . . . 63 ARG C . 26785 1 289 . 1 1 63 63 ARG CA C 13 58.533 0.3 . 1 . . . . . 63 ARG CA . 26785 1 290 . 1 1 63 63 ARG CB C 13 27.136 0.3 . 1 . . . . . 63 ARG CB . 26785 1 291 . 1 1 63 63 ARG N N 15 117.104 0.3 . 1 . . . . . 63 ARG N . 26785 1 292 . 1 1 64 64 GLN H H 1 8.101 0.020 . 1 . . . . . 64 GLN H . 26785 1 293 . 1 1 64 64 GLN C C 13 176.186 0.3 . 1 . . . . . 64 GLN C . 26785 1 294 . 1 1 64 64 GLN CA C 13 56.764 0.3 . 1 . . . . . 64 GLN CA . 26785 1 295 . 1 1 64 64 GLN CB C 13 30.083 0.3 . 1 . . . . . 64 GLN CB . 26785 1 296 . 1 1 64 64 GLN N N 15 119.508 0.3 . 1 . . . . . 64 GLN N . 26785 1 297 . 1 1 65 65 GLU H H 1 8.692 0.020 . 1 . . . . . 65 GLU H . 26785 1 298 . 1 1 65 65 GLU C C 13 176.941 0.3 . 1 . . . . . 65 GLU C . 26785 1 299 . 1 1 65 65 GLU CA C 13 58.092 0.3 . 1 . . . . . 65 GLU CA . 26785 1 300 . 1 1 65 65 GLU CB C 13 29.900 0.3 . 1 . . . . . 65 GLU CB . 26785 1 301 . 1 1 65 65 GLU N N 15 121.891 0.3 . 1 . . . . . 65 GLU N . 26785 1 302 . 1 1 66 66 TRP H H 1 8.217 0.020 . 1 . . . . . 66 TRP H . 26785 1 303 . 1 1 66 66 TRP C C 13 176.444 0.3 . 1 . . . . . 66 TRP C . 26785 1 304 . 1 1 66 66 TRP CA C 13 57.625 0.3 . 1 . . . . . 66 TRP CA . 26785 1 305 . 1 1 66 66 TRP CB C 13 29.358 0.3 . 1 . . . . . 66 TRP CB . 26785 1 306 . 1 1 66 66 TRP N N 15 125.497 0.3 . 1 . . . . . 66 TRP N . 26785 1 307 . 1 1 67 67 LYS H H 1 6.547 0.020 . 1 . . . . . 67 LYS H . 26785 1 308 . 1 1 67 67 LYS C C 13 175.006 0.3 . 1 . . . . . 67 LYS C . 26785 1 309 . 1 1 67 67 LYS CA C 13 55.538 0.3 . 1 . . . . . 67 LYS CA . 26785 1 310 . 1 1 67 67 LYS CB C 13 37.976 0.3 . 1 . . . . . 67 LYS CB . 26785 1 311 . 1 1 67 67 LYS N N 15 125.016 0.3 . 1 . . . . . 67 LYS N . 26785 1 312 . 1 1 68 68 PHE H H 1 9.023 0.020 . 1 . . . . . 68 PHE H . 26785 1 313 . 1 1 68 68 PHE C C 13 175.596 0.3 . 1 . . . . . 68 PHE C . 26785 1 314 . 1 1 68 68 PHE CA C 13 59.691 0.3 . 1 . . . . . 68 PHE CA . 26785 1 315 . 1 1 68 68 PHE CB C 13 40.359 0.3 . 1 . . . . . 68 PHE CB . 26785 1 316 . 1 1 68 68 PHE N N 15 119.763 0.3 . 1 . . . . . 68 PHE N . 26785 1 317 . 1 1 69 69 LYS H H 1 8.870 0.020 . 1 . . . . . 69 LYS H . 26785 1 318 . 1 1 69 69 LYS C C 13 175.264 0.3 . 1 . . . . . 69 LYS C . 26785 1 319 . 1 1 69 69 LYS CA C 13 57.409 0.3 . 1 . . . . . 69 LYS CA . 26785 1 320 . 1 1 69 69 LYS CB C 13 33.361 0.3 . 1 . . . . . 69 LYS CB . 26785 1 321 . 1 1 69 69 LYS N N 15 123.131 0.3 . 1 . . . . . 69 LYS N . 26785 1 322 . 1 1 70 70 GLU H H 1 7.765 0.020 . 1 . . . . . 70 GLU H . 26785 1 323 . 1 1 70 70 GLU C C 13 180.056 0.3 . 1 . . . . . 70 GLU C . 26785 1 324 . 1 1 70 70 GLU CA C 13 56.659 0.3 . 1 . . . . . 70 GLU CA . 26785 1 325 . 1 1 70 70 GLU CB C 13 31.904 0.3 . 1 . . . . . 70 GLU CB . 26785 1 326 . 1 1 70 70 GLU N N 15 124.436 0.3 . 1 . . . . . 70 GLU N . 26785 1 stop_ save_