data_28133 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28133 _Entry.Title ; Backbone 1H, 13C, 15N, and CB chemical shift assignments for the PDE6 inhibitory gamma-subunit (1-58) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-15 _Entry.Accession_date 2020-06-15 _Entry.Last_release_date 2020-06-15 _Entry.Original_release_date 2020-06-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Richa Gupta . . . . 28133 2 Yong Liu . . . . 28133 3 Huanchen Wang . . . . 28133 4 Christopher Nordyke . T. . . 28133 5 Ryan Puterbaugh . Z. . . 28133 6 Krisztina Varga . . . . 28133 7 Feixia Chu . . . . 28133 8 Hengming Ke . . . . 28133 9 Harish Vashisth . . . . 28133 10 Rick Cote . H. . . 28133 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Molecular, Cellular and Biomedical Sciences, University of New Hampshire' . 28133 2 . 'Department of Chemical Engineering, University of New Hampshire' . 28133 3 . 'Signal Transduction Laboratory, NIEHS/NIH' . 28133 4 . 'Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill' . 28133 5 . 'Lineberger Comprehensive Cancer Center, University of North Carolina at Chapel Hill' . 28133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 146 28133 '15N chemical shifts' 47 28133 '1H chemical shifts' 47 28133 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 . . 2021-08-05 2020-06-15 update BMRB 'update entry citation' 28133 1 . . 2020-09-16 2020-06-15 original author 'original release' 28133 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28133 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32898583 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Analysis of the Regulatory GAF Domains of cGMP Phosphodiesterase Elucidates the Allosteric Communication Pathway ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 432 _Citation.Journal_issue 21 _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 5765 _Citation.Page_last 5783 _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 Richa Gupta R. . . . 28133 1 2 Yong Liu Y. . . . 28133 1 3 Huanchen Wang H. . . . 28133 1 4 Christopher Nordyke C. T. . . 28133 1 5 Ryan Puterbaugh R. Z. . . 28133 1 6 Wenjun Cui W. . . . 28133 1 7 Krisztina Varga K. . . . 28133 1 8 Feixia Chu F. . . . 28133 1 9 Hengming Ke H. . . . 28133 1 10 Harish Vashisth H. . . . 28133 1 11 Rick Cote R. H. . . 28133 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PDE6 28133 1 'inhibitory gamma-subunit' 28133 1 'solution NMR' 28133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28133 _Assembly.ID 1 _Assembly.Name 'PDE6 inhibitory gamma-subunit (1-58)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6255.13 _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 'PDE6 inhibitory gamma-subunit (1-58)' 1 $PDE6_inhibitory_gamma-subunit A . yes native no no . . . 28133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDE6_inhibitory_gamma-subunit _Entity.Sf_category entity _Entity.Sf_framecode PDE6_inhibitory_gamma-subunit _Entity.Entry_ID 28133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDE6_inhibitory_gamma-subunit _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 ; MSENPTTNLTTGDAPTGPTT PRKGPPKFKQRQTRQFKSKP PKKGVKGFGDDIPGMEGL ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PDE6 inhibitory gamma-subunit residues 1-58' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6255.13 _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 . 28133 1 2 . SER . 28133 1 3 . GLU . 28133 1 4 . ASN . 28133 1 5 . PRO . 28133 1 6 . THR . 28133 1 7 . THR . 28133 1 8 . ASN . 28133 1 9 . LEU . 28133 1 10 . THR . 28133 1 11 . THR . 28133 1 12 . GLY . 28133 1 13 . ASP . 28133 1 14 . ALA . 28133 1 15 . PRO . 28133 1 16 . THR . 28133 1 17 . GLY . 28133 1 18 . PRO . 28133 1 19 . THR . 28133 1 20 . THR . 28133 1 21 . PRO . 28133 1 22 . ARG . 28133 1 23 . LYS . 28133 1 24 . GLY . 28133 1 25 . PRO . 28133 1 26 . PRO . 28133 1 27 . LYS . 28133 1 28 . PHE . 28133 1 29 . LYS . 28133 1 30 . GLN . 28133 1 31 . ARG . 28133 1 32 . GLN . 28133 1 33 . THR . 28133 1 34 . ARG . 28133 1 35 . GLN . 28133 1 36 . PHE . 28133 1 37 . LYS . 28133 1 38 . SER . 28133 1 39 . LYS . 28133 1 40 . PRO . 28133 1 41 . PRO . 28133 1 42 . LYS . 28133 1 43 . LYS . 28133 1 44 . GLY . 28133 1 45 . VAL . 28133 1 46 . LYS . 28133 1 47 . GLY . 28133 1 48 . PHE . 28133 1 49 . GLY . 28133 1 50 . ASP . 28133 1 51 . ASP . 28133 1 52 . ILE . 28133 1 53 . PRO . 28133 1 54 . GLY . 28133 1 55 . MET . 28133 1 56 . GLU . 28133 1 57 . GLY . 28133 1 58 . LEU . 28133 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 28133 1 . SER 2 2 28133 1 . GLU 3 3 28133 1 . ASN 4 4 28133 1 . PRO 5 5 28133 1 . THR 6 6 28133 1 . THR 7 7 28133 1 . ASN 8 8 28133 1 . LEU 9 9 28133 1 . THR 10 10 28133 1 . THR 11 11 28133 1 . GLY 12 12 28133 1 . ASP 13 13 28133 1 . ALA 14 14 28133 1 . PRO 15 15 28133 1 . THR 16 16 28133 1 . GLY 17 17 28133 1 . PRO 18 18 28133 1 . THR 19 19 28133 1 . THR 20 20 28133 1 . PRO 21 21 28133 1 . ARG 22 22 28133 1 . LYS 23 23 28133 1 . GLY 24 24 28133 1 . PRO 25 25 28133 1 . PRO 26 26 28133 1 . LYS 27 27 28133 1 . PHE 28 28 28133 1 . LYS 29 29 28133 1 . GLN 30 30 28133 1 . ARG 31 31 28133 1 . GLN 32 32 28133 1 . THR 33 33 28133 1 . ARG 34 34 28133 1 . GLN 35 35 28133 1 . PHE 36 36 28133 1 . LYS 37 37 28133 1 . SER 38 38 28133 1 . LYS 39 39 28133 1 . PRO 40 40 28133 1 . PRO 41 41 28133 1 . LYS 42 42 28133 1 . LYS 43 43 28133 1 . GLY 44 44 28133 1 . VAL 45 45 28133 1 . LYS 46 46 28133 1 . GLY 47 47 28133 1 . PHE 48 48 28133 1 . GLY 49 49 28133 1 . ASP 50 50 28133 1 . ASP 51 51 28133 1 . ILE 52 52 28133 1 . PRO 53 53 28133 1 . GLY 54 54 28133 1 . MET 55 55 28133 1 . GLU 56 56 28133 1 . GLY 57 57 28133 1 . LEU 58 58 28133 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 28133 _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 $PDE6_inhibitory_gamma-subunit . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 28133 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 28133 _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 $PDE6_inhibitory_gamma-subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET11a . . . 28133 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28133 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDE6 inhibitory gamma-subunit (1-58)' '[U-98% 13C; U-98% 15N]' . . 1 $PDE6_inhibitory_gamma-subunit . . 50 . . uM . . . . 28133 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 28133 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28133 1 4 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 28133 1 5 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 28133 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 28133 1 7 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 28133 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_1_conditions _Sample_condition_list.Entry_ID 28133 _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 pH 7.5 . pH 28133 1 pressure 1 . atm 28133 1 temperature 273 . K 28133 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28133 _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' . . 28133 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28133 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28133 _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' . . 28133 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28133 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 28133 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 28133 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28133 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28133 _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 . . 28133 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28133 4 'data analysis' . 28133 4 'peak picking' . 28133 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 28133 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5-mm triple resonance inverse TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28133 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5-mm triple resonance inverse TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 28133 _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 Bruker 'Avance III HD' . 700 '5-mm triple resonance inverse TCI CryoProbe' . . 28133 1 2 spectrometer_2 Bruker 'Avance NEO' . 700 '5-mm triple resonance inverse TCI CryoProbe' . . 28133 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 28133 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28133 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28133 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28133 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28133 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 28133 _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 0.00 na indirect 0.251449530 . . . . . 28133 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28133 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28133 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_Pgamma_PDE6_NMRSTAR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Pgamma_PDE6_NMRSTAR _Assigned_chem_shift_list.Entry_ID 28133 _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_1_conditions _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' . . . 28133 1 2 '3D HNCA' . . . 28133 1 3 '3D HNCACB' . . . 28133 1 4 '3D HNCO' . . . 28133 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 3 3 GLU H H 1 8.614 0.00 . . . . . . . 3 GLU H . 28133 1 2 . 1 . 1 3 3 GLU C C 13 175.790 0.00 . . . . . . . 3 GLU C . 28133 1 3 . 1 . 1 3 3 GLU CA C 13 56.347 0.00 . . . . . . . 3 GLU CA . 28133 1 4 . 1 . 1 3 3 GLU CB C 13 30.510 0.00 . . . . . . . 3 GLU CB . 28133 1 5 . 1 . 1 3 3 GLU N N 15 121.761 0.00 . . . . . . . 3 GLU N . 28133 1 6 . 1 . 1 4 4 ASN H H 1 8.617 0.00 . . . . . . . 4 ASN H . 28133 1 7 . 1 . 1 4 4 ASN CA C 13 51.383 0.00 . . . . . . . 4 ASN CA . 28133 1 8 . 1 . 1 4 4 ASN CB C 13 38.717 0.00 . . . . . . . 4 ASN CB . 28133 1 9 . 1 . 1 4 4 ASN N N 15 121.187 0.06 . . . . . . . 4 ASN N . 28133 1 10 . 1 . 1 5 5 PRO C C 13 177.513 0.00 . . . . . . . 5 PRO C . 28133 1 11 . 1 . 1 5 5 PRO CA C 13 63.206 0.00 . . . . . . . 5 PRO CA . 28133 1 12 . 1 . 1 5 5 PRO CB C 13 32.247 0.00 . . . . . . . 5 PRO CB . 28133 1 13 . 1 . 1 6 6 THR H H 1 8.285 0.02 . . . . . . . 6 THR H . 28133 1 14 . 1 . 1 6 6 THR C C 13 174.861 0.00 . . . . . . . 6 THR C . 28133 1 15 . 1 . 1 6 6 THR CA C 13 61.956 0.00 . . . . . . . 6 THR CA . 28133 1 16 . 1 . 1 6 6 THR CB C 13 69.791 0.00 . . . . . . . 6 THR CB . 28133 1 17 . 1 . 1 6 6 THR N N 15 113.959 0.06 . . . . . . . 6 THR N . 28133 1 18 . 1 . 1 7 7 THR H H 1 8.050 0.00 . . . . . . . 7 THR H . 28133 1 19 . 1 . 1 7 7 THR C C 13 174.067 0.00 . . . . . . . 7 THR C . 28133 1 20 . 1 . 1 7 7 THR CA C 13 61.871 0.01 . . . . . . . 7 THR CA . 28133 1 21 . 1 . 1 7 7 THR CB C 13 69.802 0.02 . . . . . . . 7 THR CB . 28133 1 22 . 1 . 1 7 7 THR N N 15 115.907 0.01 . . . . . . . 7 THR N . 28133 1 23 . 1 . 1 8 8 ASN H H 1 8.444 0.00 . . . . . . . 8 ASN H . 28133 1 24 . 1 . 1 8 8 ASN C C 13 174.968 0.00 . . . . . . . 8 ASN C . 28133 1 25 . 1 . 1 8 8 ASN CA C 13 53.385 0.05 . . . . . . . 8 ASN CA . 28133 1 26 . 1 . 1 8 8 ASN CB C 13 38.739 0.01 . . . . . . . 8 ASN CB . 28133 1 27 . 1 . 1 8 8 ASN N N 15 121.184 0.02 . . . . . . . 8 ASN N . 28133 1 28 . 1 . 1 9 9 LEU H H 1 8.282 0.00 . . . . . . . 9 LEU H . 28133 1 29 . 1 . 1 9 9 LEU C C 13 177.707 0.00 . . . . . . . 9 LEU C . 28133 1 30 . 1 . 1 9 9 LEU CA C 13 55.376 0.01 . . . . . . . 9 LEU CA . 28133 1 31 . 1 . 1 9 9 LEU CB C 13 42.410 0.03 . . . . . . . 9 LEU CB . 28133 1 32 . 1 . 1 9 9 LEU N N 15 122.716 0.01 . . . . . . . 9 LEU N . 28133 1 33 . 1 . 1 10 10 THR H H 1 8.253 0.00 . . . . . . . 10 THR H . 28133 1 34 . 1 . 1 10 10 THR C C 13 174.868 0.00 . . . . . . . 10 THR C . 28133 1 35 . 1 . 1 10 10 THR CA C 13 61.808 0.00 . . . . . . . 10 THR CA . 28133 1 36 . 1 . 1 10 10 THR CB C 13 69.802 0.00 . . . . . . . 10 THR CB . 28133 1 37 . 1 . 1 10 10 THR N N 15 114.704 0.01 . . . . . . . 10 THR N . 28133 1 38 . 1 . 1 11 11 THR H H 1 8.120 0.00 . . . . . . . 11 THR H . 28133 1 39 . 1 . 1 11 11 THR C C 13 175.102 0.00 . . . . . . . 11 THR C . 28133 1 40 . 1 . 1 11 11 THR CA C 13 61.867 0.01 . . . . . . . 11 THR CA . 28133 1 41 . 1 . 1 11 11 THR CB C 13 69.779 0.01 . . . . . . . 11 THR CB . 28133 1 42 . 1 . 1 11 11 THR N N 15 115.361 0.01 . . . . . . . 11 THR N . 28133 1 43 . 1 . 1 12 12 GLY H H 1 8.345 0.00 . . . . . . . 12 GLY H . 28133 1 44 . 1 . 1 12 12 GLY C C 13 173.799 0.00 . . . . . . . 12 GLY C . 28133 1 45 . 1 . 1 12 12 GLY CA C 13 45.215 0.08 . . . . . . . 12 GLY CA . 28133 1 46 . 1 . 1 12 12 GLY N N 15 110.980 0.01 . . . . . . . 12 GLY N . 28133 1 47 . 1 . 1 13 13 ASP H H 1 8.208 0.00 . . . . . . . 13 ASP H . 28133 1 48 . 1 . 1 13 13 ASP C C 13 175.694 0.00 . . . . . . . 13 ASP C . 28133 1 49 . 1 . 1 13 13 ASP CA C 13 54.145 0.02 . . . . . . . 13 ASP CA . 28133 1 50 . 1 . 1 13 13 ASP CB C 13 41.335 0.01 . . . . . . . 13 ASP CB . 28133 1 51 . 1 . 1 13 13 ASP N N 15 120.352 0.10 . . . . . . . 13 ASP N . 28133 1 52 . 1 . 1 14 14 ALA H H 1 8.213 0.00 . . . . . . . 14 ALA H . 28133 1 53 . 1 . 1 14 14 ALA CA C 13 50.543 0.00 . . . . . . . 14 ALA CA . 28133 1 54 . 1 . 1 14 14 ALA CB C 13 18.231 0.00 . . . . . . . 14 ALA CB . 28133 1 55 . 1 . 1 14 14 ALA N N 15 125.207 0.01 . . . . . . . 14 ALA N . 28133 1 56 . 1 . 1 15 15 PRO C C 13 177.303 0.00 . . . . . . . 15 PRO C . 28133 1 57 . 1 . 1 15 15 PRO CA C 13 63.213 0.00 . . . . . . . 15 PRO CA . 28133 1 58 . 1 . 1 15 15 PRO CB C 13 32.040 0.00 . . . . . . . 15 PRO CB . 28133 1 59 . 1 . 1 16 16 THR H H 1 8.195 0.00 . . . . . . . 16 THR H . 28133 1 60 . 1 . 1 16 16 THR C C 13 174.857 0.00 . . . . . . . 16 THR C . 28133 1 61 . 1 . 1 16 16 THR CA C 13 61.599 0.01 . . . . . . . 16 THR CA . 28133 1 62 . 1 . 1 16 16 THR CB C 13 69.987 0.00 . . . . . . . 16 THR CB . 28133 1 63 . 1 . 1 16 16 THR N N 15 113.374 0.02 . . . . . . . 16 THR N . 28133 1 64 . 1 . 1 17 17 GLY H H 1 8.182 0.00 . . . . . . . 17 GLY H . 28133 1 65 . 1 . 1 17 17 GLY CA C 13 44.687 0.00 . . . . . . . 17 GLY CA . 28133 1 66 . 1 . 1 17 17 GLY N N 15 111.028 0.02 . . . . . . . 17 GLY N . 28133 1 67 . 1 . 1 18 18 PRO C C 13 177.233 0.00 . . . . . . . 18 PRO C . 28133 1 68 . 1 . 1 18 18 PRO CA C 13 63.115 0.00 . . . . . . . 18 PRO CA . 28133 1 69 . 1 . 1 18 18 PRO CB C 13 32.239 0.00 . . . . . . . 18 PRO CB . 28133 1 70 . 1 . 1 19 19 THR H H 1 8.306 0.00 . . . . . . . 19 THR H . 28133 1 71 . 1 . 1 19 19 THR C C 13 174.597 0.00 . . . . . . . 19 THR C . 28133 1 72 . 1 . 1 19 19 THR CA C 13 61.950 0.01 . . . . . . . 19 THR CA . 28133 1 73 . 1 . 1 19 19 THR CB C 13 69.723 0.00 . . . . . . . 19 THR CB . 28133 1 74 . 1 . 1 19 19 THR N N 15 114.010 0.03 . . . . . . . 19 THR N . 28133 1 75 . 1 . 1 20 20 THR H H 1 8.096 0.00 . . . . . . . 20 THR H . 28133 1 76 . 1 . 1 20 20 THR CA C 13 60.029 0.00 . . . . . . . 20 THR CA . 28133 1 77 . 1 . 1 20 20 THR CB C 13 69.777 0.00 . . . . . . . 20 THR CB . 28133 1 78 . 1 . 1 20 20 THR N N 15 119.101 0.02 . . . . . . . 20 THR N . 28133 1 79 . 1 . 1 21 21 PRO C C 13 176.810 0.00 . . . . . . . 21 PRO C . 28133 1 80 . 1 . 1 21 21 PRO CA C 13 63.248 0.00 . . . . . . . 21 PRO CA . 28133 1 81 . 1 . 1 21 21 PRO CB C 13 31.828 0.00 . . . . . . . 21 PRO CB . 28133 1 82 . 1 . 1 22 22 ARG H H 1 8.432 0.00 . . . . . . . 22 ARG H . 28133 1 83 . 1 . 1 22 22 ARG C C 13 176.344 0.00 . . . . . . . 22 ARG C . 28133 1 84 . 1 . 1 22 22 ARG CA C 13 56.156 0.05 . . . . . . . 22 ARG CA . 28133 1 85 . 1 . 1 22 22 ARG CB C 13 30.807 0.02 . . . . . . . 22 ARG CB . 28133 1 86 . 1 . 1 22 22 ARG N N 15 121.927 0.03 . . . . . . . 22 ARG N . 28133 1 87 . 1 . 1 23 23 LYS H H 1 8.393 0.00 . . . . . . . 23 LYS H . 28133 1 88 . 1 . 1 23 23 LYS C C 13 176.612 0.00 . . . . . . . 23 LYS C . 28133 1 89 . 1 . 1 23 23 LYS CA C 13 56.171 0.12 . . . . . . . 23 LYS CA . 28133 1 90 . 1 . 1 23 23 LYS CB C 13 33.310 0.06 . . . . . . . 23 LYS CB . 28133 1 91 . 1 . 1 23 23 LYS N N 15 123.350 0.04 . . . . . . . 23 LYS N . 28133 1 92 . 1 . 1 24 24 GLY H H 1 8.255 0.00 . . . . . . . 24 GLY H . 28133 1 93 . 1 . 1 24 24 GLY CA C 13 44.372 0.00 . . . . . . . 24 GLY CA . 28133 1 94 . 1 . 1 24 24 GLY N N 15 110.561 0.02 . . . . . . . 24 GLY N . 28133 1 95 . 1 . 1 26 26 PRO C C 13 176.794 0.00 . . . . . . . 26 PRO C . 28133 1 96 . 1 . 1 26 26 PRO CA C 13 62.922 0.00 . . . . . . . 26 PRO CA . 28133 1 97 . 1 . 1 26 26 PRO CB C 13 32.075 0.00 . . . . . . . 26 PRO CB . 28133 1 98 . 1 . 1 27 27 LYS H H 1 8.319 0.00 . . . . . . . 27 LYS H . 28133 1 99 . 1 . 1 27 27 LYS C C 13 176.369 0.00 . . . . . . . 27 LYS C . 28133 1 100 . 1 . 1 27 27 LYS CA C 13 56.454 0.05 . . . . . . . 27 LYS CA . 28133 1 101 . 1 . 1 27 27 LYS CB C 13 33.061 0.03 . . . . . . . 27 LYS CB . 28133 1 102 . 1 . 1 27 27 LYS N N 15 121.306 0.04 . . . . . . . 27 LYS N . 28133 1 103 . 1 . 1 28 28 PHE H H 1 8.117 0.00 . . . . . . . 28 PHE H . 28133 1 104 . 1 . 1 28 28 PHE C C 13 175.485 0.00 . . . . . . . 28 PHE C . 28133 1 105 . 1 . 1 28 28 PHE CA C 13 57.422 0.02 . . . . . . . 28 PHE CA . 28133 1 106 . 1 . 1 28 28 PHE CB C 13 39.844 0.01 . . . . . . . 28 PHE CB . 28133 1 107 . 1 . 1 28 28 PHE N N 15 120.715 0.02 . . . . . . . 28 PHE N . 28133 1 108 . 1 . 1 29 29 LYS H H 1 8.236 0.00 . . . . . . . 29 LYS H . 28133 1 109 . 1 . 1 29 29 LYS C C 13 176.020 0.00 . . . . . . . 29 LYS C . 28133 1 110 . 1 . 1 29 29 LYS CA C 13 56.212 0.00 . . . . . . . 29 LYS CA . 28133 1 111 . 1 . 1 29 29 LYS CB C 13 33.254 0.10 . . . . . . . 29 LYS CB . 28133 1 112 . 1 . 1 29 29 LYS N N 15 123.514 0.02 . . . . . . . 29 LYS N . 28133 1 113 . 1 . 1 30 30 GLN H H 1 8.325 0.00 . . . . . . . 30 GLN H . 28133 1 114 . 1 . 1 30 30 GLN C C 13 175.941 0.00 . . . . . . . 30 GLN C . 28133 1 115 . 1 . 1 30 30 GLN CA C 13 55.934 0.02 . . . . . . . 30 GLN CA . 28133 1 116 . 1 . 1 30 30 GLN CB C 13 29.677 0.07 . . . . . . . 30 GLN CB . 28133 1 117 . 1 . 1 30 30 GLN N N 15 122.055 0.04 . . . . . . . 30 GLN N . 28133 1 118 . 1 . 1 31 31 ARG H H 1 8.460 0.00 . . . . . . . 31 ARG H . 28133 1 119 . 1 . 1 31 31 ARG C C 13 176.244 0.00 . . . . . . . 31 ARG C . 28133 1 120 . 1 . 1 31 31 ARG CA C 13 56.218 0.01 . . . . . . . 31 ARG CA . 28133 1 121 . 1 . 1 31 31 ARG CB C 13 30.843 0.01 . . . . . . . 31 ARG CB . 28133 1 122 . 1 . 1 31 31 ARG N N 15 123.005 0.01 . . . . . . . 31 ARG N . 28133 1 123 . 1 . 1 32 32 GLN H H 1 8.511 0.00 . . . . . . . 32 GLN H . 28133 1 124 . 1 . 1 32 32 GLN C C 13 176.124 0.00 . . . . . . . 32 GLN C . 28133 1 125 . 1 . 1 32 32 GLN CA C 13 55.805 0.05 . . . . . . . 32 GLN CA . 28133 1 126 . 1 . 1 32 32 GLN CB C 13 29.610 0.00 . . . . . . . 32 GLN CB . 28133 1 127 . 1 . 1 32 32 GLN N N 15 122.193 0.03 . . . . . . . 32 GLN N . 28133 1 128 . 1 . 1 33 33 THR H H 1 8.264 0.00 . . . . . . . 33 THR H . 28133 1 129 . 1 . 1 33 33 THR C C 13 174.489 0.00 . . . . . . . 33 THR C . 28133 1 130 . 1 . 1 33 33 THR CA C 13 61.921 0.02 . . . . . . . 33 THR CA . 28133 1 131 . 1 . 1 33 33 THR CB C 13 69.960 0.02 . . . . . . . 33 THR CB . 28133 1 132 . 1 . 1 33 33 THR N N 15 116.269 0.03 . . . . . . . 33 THR N . 28133 1 133 . 1 . 1 34 34 ARG H H 1 8.367 0.00 . . . . . . . 34 ARG H . 28133 1 134 . 1 . 1 34 34 ARG C C 13 175.845 0.00 . . . . . . . 34 ARG C . 28133 1 135 . 1 . 1 34 34 ARG CA C 13 56.191 0.11 . . . . . . . 34 ARG CA . 28133 1 136 . 1 . 1 34 34 ARG CB C 13 30.811 0.02 . . . . . . . 34 ARG CB . 28133 1 137 . 1 . 1 34 34 ARG N N 15 123.359 0.05 . . . . . . . 34 ARG N . 28133 1 138 . 1 . 1 35 35 GLN H H 1 8.363 0.00 . . . . . . . 35 GLN H . 28133 1 139 . 1 . 1 35 35 GLN C C 13 175.505 0.00 . . . . . . . 35 GLN C . 28133 1 140 . 1 . 1 35 35 GLN CA C 13 55.713 0.03 . . . . . . . 35 GLN CA . 28133 1 141 . 1 . 1 35 35 GLN CB C 13 29.596 0.01 . . . . . . . 35 GLN CB . 28133 1 142 . 1 . 1 35 35 GLN N N 15 121.611 0.01 . . . . . . . 35 GLN N . 28133 1 143 . 1 . 1 36 36 PHE H H 1 8.295 0.00 . . . . . . . 36 PHE H . 28133 1 144 . 1 . 1 36 36 PHE C C 13 175.500 0.00 . . . . . . . 36 PHE C . 28133 1 145 . 1 . 1 36 36 PHE CA C 13 57.632 0.06 . . . . . . . 36 PHE CA . 28133 1 146 . 1 . 1 36 36 PHE CB C 13 39.878 0.03 . . . . . . . 36 PHE CB . 28133 1 147 . 1 . 1 36 36 PHE N N 15 121.912 0.08 . . . . . . . 36 PHE N . 28133 1 148 . 1 . 1 37 37 LYS H H 1 8.294 0.00 . . . . . . . 37 LYS H . 28133 1 149 . 1 . 1 37 37 LYS C C 13 176.133 0.00 . . . . . . . 37 LYS C . 28133 1 150 . 1 . 1 37 37 LYS CA C 13 56.298 0.08 . . . . . . . 37 LYS CA . 28133 1 151 . 1 . 1 37 37 LYS CB C 13 33.230 0.04 . . . . . . . 37 LYS CB . 28133 1 152 . 1 . 1 37 37 LYS N N 15 123.242 0.02 . . . . . . . 37 LYS N . 28133 1 153 . 1 . 1 38 38 SER H H 1 8.226 0.00 . . . . . . . 38 SER H . 28133 1 154 . 1 . 1 38 38 SER C C 13 174.007 0.00 . . . . . . . 38 SER C . 28133 1 155 . 1 . 1 38 38 SER CA C 13 58.164 0.02 . . . . . . . 38 SER CA . 28133 1 156 . 1 . 1 38 38 SER CB C 13 63.952 0.00 . . . . . . . 38 SER CB . 28133 1 157 . 1 . 1 38 38 SER N N 15 117.243 0.01 . . . . . . . 38 SER N . 28133 1 158 . 1 . 1 39 39 LYS H H 1 8.336 0.00 . . . . . . . 39 LYS H . 28133 1 159 . 1 . 1 39 39 LYS CA C 13 54.219 0.00 . . . . . . . 39 LYS CA . 28133 1 160 . 1 . 1 39 39 LYS CB C 13 32.576 0.00 . . . . . . . 39 LYS CB . 28133 1 161 . 1 . 1 39 39 LYS N N 15 124.001 0.01 . . . . . . . 39 LYS N . 28133 1 162 . 1 . 1 41 41 PRO C C 13 176.742 0.00 . . . . . . . 41 PRO C . 28133 1 163 . 1 . 1 41 41 PRO CA C 13 62.773 0.00 . . . . . . . 41 PRO CA . 28133 1 164 . 1 . 1 41 41 PRO CB C 13 32.354 0.00 . . . . . . . 41 PRO CB . 28133 1 165 . 1 . 1 42 42 LYS H H 1 8.291 0.00 . . . . . . . 42 LYS H . 28133 1 166 . 1 . 1 42 42 LYS C C 13 176.370 0.00 . . . . . . . 42 LYS C . 28133 1 167 . 1 . 1 42 42 LYS CA C 13 56.828 0.60 . . . . . . . 42 LYS CA . 28133 1 168 . 1 . 1 42 42 LYS CB C 13 33.373 0.04 . . . . . . . 42 LYS CB . 28133 1 169 . 1 . 1 42 42 LYS N N 15 121.571 0.04 . . . . . . . 42 LYS N . 28133 1 170 . 1 . 1 43 43 LYS H H 1 8.358 0.00 . . . . . . . 43 LYS H . 28133 1 171 . 1 . 1 43 43 LYS C C 13 176.884 0.00 . . . . . . . 43 LYS C . 28133 1 172 . 1 . 1 43 43 LYS CA C 13 56.605 0.05 . . . . . . . 43 LYS CA . 28133 1 173 . 1 . 1 43 43 LYS CB C 13 33.058 0.11 . . . . . . . 43 LYS CB . 28133 1 174 . 1 . 1 43 43 LYS N N 15 123.041 0.03 . . . . . . . 43 LYS N . 28133 1 175 . 1 . 1 44 44 GLY H H 1 8.474 0.00 . . . . . . . 44 GLY H . 28133 1 176 . 1 . 1 44 44 GLY C C 13 174.038 0.00 . . . . . . . 44 GLY C . 28133 1 177 . 1 . 1 44 44 GLY CA C 13 45.194 0.06 . . . . . . . 44 GLY CA . 28133 1 178 . 1 . 1 44 44 GLY N N 15 110.751 0.04 . . . . . . . 44 GLY N . 28133 1 179 . 1 . 1 45 45 VAL H H 1 7.954 0.00 . . . . . . . 45 VAL H . 28133 1 180 . 1 . 1 45 45 VAL C C 13 176.203 0.00 . . . . . . . 45 VAL C . 28133 1 181 . 1 . 1 45 45 VAL CA C 13 62.129 0.00 . . . . . . . 45 VAL CA . 28133 1 182 . 1 . 1 45 45 VAL CB C 13 32.875 0.01 . . . . . . . 45 VAL CB . 28133 1 183 . 1 . 1 45 45 VAL N N 15 119.229 0.01 . . . . . . . 45 VAL N . 28133 1 184 . 1 . 1 46 46 LYS H H 1 8.485 0.00 . . . . . . . 46 LYS H . 28133 1 185 . 1 . 1 46 46 LYS C C 13 177.000 0.00 . . . . . . . 46 LYS C . 28133 1 186 . 1 . 1 46 46 LYS CA C 13 56.676 0.02 . . . . . . . 46 LYS CA . 28133 1 187 . 1 . 1 46 46 LYS CB C 13 32.918 0.03 . . . . . . . 46 LYS CB . 28133 1 188 . 1 . 1 46 46 LYS N N 15 125.154 0.01 . . . . . . . 46 LYS N . 28133 1 189 . 1 . 1 47 47 GLY H H 1 8.474 0.00 . . . . . . . 47 GLY H . 28133 1 190 . 1 . 1 47 47 GLY C C 13 173.767 0.00 . . . . . . . 47 GLY C . 28133 1 191 . 1 . 1 47 47 GLY CA C 13 45.105 0.07 . . . . . . . 47 GLY CA . 28133 1 192 . 1 . 1 47 47 GLY N N 15 110.798 0.05 . . . . . . . 47 GLY N . 28133 1 193 . 1 . 1 48 48 PHE H H 1 8.204 0.00 . . . . . . . 48 PHE H . 28133 1 194 . 1 . 1 48 48 PHE C C 13 176.314 0.00 . . . . . . . 48 PHE C . 28133 1 195 . 1 . 1 48 48 PHE CA C 13 58.055 0.01 . . . . . . . 48 PHE CA . 28133 1 196 . 1 . 1 48 48 PHE CB C 13 39.668 0.04 . . . . . . . 48 PHE CB . 28133 1 197 . 1 . 1 48 48 PHE N N 15 120.033 0.04 . . . . . . . 48 PHE N . 28133 1 198 . 1 . 1 49 49 GLY H H 1 8.434 0.00 . . . . . . . 49 GLY H . 28133 1 199 . 1 . 1 49 49 GLY C C 13 173.847 0.00 . . . . . . . 49 GLY C . 28133 1 200 . 1 . 1 49 49 GLY CA C 13 45.392 0.00 . . . . . . . 49 GLY CA . 28133 1 201 . 1 . 1 49 49 GLY N N 15 110.861 0.02 . . . . . . . 49 GLY N . 28133 1 202 . 1 . 1 50 50 ASP H H 1 8.219 0.08 . . . . . . . 50 ASP H . 28133 1 203 . 1 . 1 50 50 ASP C C 13 175.840 0.00 . . . . . . . 50 ASP C . 28133 1 204 . 1 . 1 50 50 ASP CA C 13 54.334 0.00 . . . . . . . 50 ASP CA . 28133 1 205 . 1 . 1 50 50 ASP CB C 13 41.289 0.00 . . . . . . . 50 ASP CB . 28133 1 206 . 1 . 1 50 50 ASP N N 15 120.161 0.16 . . . . . . . 50 ASP N . 28133 1 207 . 1 . 1 51 51 ASP H H 1 8.361 0.00 . . . . . . . 51 ASP H . 28133 1 208 . 1 . 1 51 51 ASP C C 13 175.687 0.00 . . . . . . . 51 ASP C . 28133 1 209 . 1 . 1 51 51 ASP CA C 13 54.218 0.03 . . . . . . . 51 ASP CA . 28133 1 210 . 1 . 1 51 51 ASP CB C 13 41.066 0.04 . . . . . . . 51 ASP CB . 28133 1 211 . 1 . 1 51 51 ASP N N 15 119.897 0.01 . . . . . . . 51 ASP N . 28133 1 212 . 1 . 1 52 52 ILE H H 1 8.023 0.00 . . . . . . . 52 ILE H . 28133 1 213 . 1 . 1 52 52 ILE CA C 13 58.761 0.00 . . . . . . . 52 ILE CA . 28133 1 214 . 1 . 1 52 52 ILE CB C 13 38.631 0.00 . . . . . . . 52 ILE CB . 28133 1 215 . 1 . 1 52 52 ILE N N 15 122.404 0.02 . . . . . . . 52 ILE N . 28133 1 216 . 1 . 1 53 53 PRO C C 13 177.562 0.00 . . . . . . . 53 PRO C . 28133 1 217 . 1 . 1 53 53 PRO CA C 13 63.586 0.00 . . . . . . . 53 PRO CA . 28133 1 218 . 1 . 1 53 53 PRO CB C 13 32.029 0.00 . . . . . . . 53 PRO CB . 28133 1 219 . 1 . 1 54 54 GLY H H 1 8.524 0.00 . . . . . . . 54 GLY H . 28133 1 220 . 1 . 1 54 54 GLY C C 13 174.589 0.00 . . . . . . . 54 GLY C . 28133 1 221 . 1 . 1 54 54 GLY CA C 13 45.401 0.00 . . . . . . . 54 GLY CA . 28133 1 222 . 1 . 1 54 54 GLY N N 15 109.529 0.02 . . . . . . . 54 GLY N . 28133 1 223 . 1 . 1 55 55 MET H H 1 8.162 0.00 . . . . . . . 55 MET H . 28133 1 224 . 1 . 1 55 55 MET C C 13 176.357 0.00 . . . . . . . 55 MET C . 28133 1 225 . 1 . 1 55 55 MET CA C 13 55.401 0.01 . . . . . . . 55 MET CA . 28133 1 226 . 1 . 1 55 55 MET CB C 13 32.945 0.08 . . . . . . . 55 MET CB . 28133 1 227 . 1 . 1 55 55 MET N N 15 119.603 0.02 . . . . . . . 55 MET N . 28133 1 228 . 1 . 1 56 56 GLU H H 1 8.616 0.00 . . . . . . . 56 GLU H . 28133 1 229 . 1 . 1 56 56 GLU C C 13 176.921 0.00 . . . . . . . 56 GLU C . 28133 1 230 . 1 . 1 56 56 GLU CA C 13 57.163 0.01 . . . . . . . 56 GLU CA . 28133 1 231 . 1 . 1 56 56 GLU CB C 13 29.981 0.01 . . . . . . . 56 GLU CB . 28133 1 232 . 1 . 1 56 56 GLU N N 15 121.792 0.02 . . . . . . . 56 GLU N . 28133 1 233 . 1 . 1 57 57 GLY H H 1 8.419 0.00 . . . . . . . 57 GLY H . 28133 1 234 . 1 . 1 57 57 GLY C C 13 173.271 0.00 . . . . . . . 57 GLY C . 28133 1 235 . 1 . 1 57 57 GLY CA C 13 45.444 0.00 . . . . . . . 57 GLY CA . 28133 1 236 . 1 . 1 57 57 GLY N N 15 110.136 0.02 . . . . . . . 57 GLY N . 28133 1 237 . 1 . 1 58 58 LEU H H 1 7.671 0.00 . . . . . . . 58 LEU H . 28133 1 238 . 1 . 1 58 58 LEU CA C 13 56.591 0.00 . . . . . . . 58 LEU CA . 28133 1 239 . 1 . 1 58 58 LEU CB C 13 43.279 0.00 . . . . . . . 58 LEU CB . 28133 1 240 . 1 . 1 58 58 LEU N N 15 126.995 0.03 . . . . . . . 58 LEU N . 28133 1 stop_ save_