data_19590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19590 _Entry.Title ; Aliphatic 13C Chemical Shift Assignments For the Unfolded State of the Fyn SH3 Domain G48A Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-30 _Entry.Accession_date 2013-10-30 _Entry.Last_release_date 2014-02-11 _Entry.Original_release_date 2014-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Guillaume Bouvignies . . . 19590 2 Pramodh Vallurupalli . . . 19590 3 Lewis Kay . E. . 19590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 19590 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 . . 2014-02-11 2013-10-30 original author . 19590 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19591 'FF domain L24A mutant' 19590 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24211467 _Citation.Full_citation . _Citation.Title 'Visualizing side chains of invisible protein conformers by solution NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 3 _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 763 _Citation.Page_last 774 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guillaume Bouvignies . . . 19590 1 2 Pramodh Vallurupalli . . . 19590 1 3 Lewis Kay . E. . 19590 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CEST 19590 1 'chemical shifts' 19590 1 'conformationally excited states' 19590 1 'protein side chains' 19590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19590 _Assembly.ID 1 _Assembly.Name Fyn_SH3_G48A _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 6921.4 _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 'Fyn_SH3_G48A, 1' 1 $Fyn_SH3_G48A A . yes unfolded no no . . . 19590 1 2 'Fyn_SH3_G48A, 2' 1 $Fyn_SH3_G48A A . no unfolded no yes . . . 19590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fyn_SH3_G48A _Entity.Sf_category entity _Entity.Sf_framecode Fyn_SH3_G48A _Entity.Entry_ID 19590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fyn_SH3_G48A _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 ; STLFEALYDYEARTEDDLSF HKGEKFQILNSSEGDWWEAR SLTTGETAYIPSNYVAPVDR ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation G48A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6921.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q05876 . "Tyrosine-protein kinase Fyn" . . . . . . . . . . . . . . 19590 1 2 no EMBL CAA37025 . "c-fyn, fyn proto-oncogene [Gallus gallus]" . . . . . 96.67 534 98.28 98.28 1.38e-30 . . . . 19590 1 3 no SP Q05876 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 96.67 534 98.28 98.28 1.38e-30 . . . . 19590 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 19590 1 2 2 THR . 19590 1 3 3 LEU . 19590 1 4 4 PHE . 19590 1 5 5 GLU . 19590 1 6 6 ALA . 19590 1 7 7 LEU . 19590 1 8 8 TYR . 19590 1 9 9 ASP . 19590 1 10 10 TYR . 19590 1 11 11 GLU . 19590 1 12 12 ALA . 19590 1 13 13 ARG . 19590 1 14 14 THR . 19590 1 15 15 GLU . 19590 1 16 16 ASP . 19590 1 17 17 ASP . 19590 1 18 18 LEU . 19590 1 19 19 SER . 19590 1 20 20 PHE . 19590 1 21 21 HIS . 19590 1 22 22 LYS . 19590 1 23 23 GLY . 19590 1 24 24 GLU . 19590 1 25 25 LYS . 19590 1 26 26 PHE . 19590 1 27 27 GLN . 19590 1 28 28 ILE . 19590 1 29 29 LEU . 19590 1 30 30 ASN . 19590 1 31 31 SER . 19590 1 32 32 SER . 19590 1 33 33 GLU . 19590 1 34 34 GLY . 19590 1 35 35 ASP . 19590 1 36 36 TRP . 19590 1 37 37 TRP . 19590 1 38 38 GLU . 19590 1 39 39 ALA . 19590 1 40 40 ARG . 19590 1 41 41 SER . 19590 1 42 42 LEU . 19590 1 43 43 THR . 19590 1 44 44 THR . 19590 1 45 45 GLY . 19590 1 46 46 GLU . 19590 1 47 47 THR . 19590 1 48 48 ALA . 19590 1 49 49 TYR . 19590 1 50 50 ILE . 19590 1 51 51 PRO . 19590 1 52 52 SER . 19590 1 53 53 ASN . 19590 1 54 54 TYR . 19590 1 55 55 VAL . 19590 1 56 56 ALA . 19590 1 57 57 PRO . 19590 1 58 58 VAL . 19590 1 59 59 ASP . 19590 1 60 60 ARG . 19590 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 . SER 1 1 19590 1 . THR 2 2 19590 1 . LEU 3 3 19590 1 . PHE 4 4 19590 1 . GLU 5 5 19590 1 . ALA 6 6 19590 1 . LEU 7 7 19590 1 . TYR 8 8 19590 1 . ASP 9 9 19590 1 . TYR 10 10 19590 1 . GLU 11 11 19590 1 . ALA 12 12 19590 1 . ARG 13 13 19590 1 . THR 14 14 19590 1 . GLU 15 15 19590 1 . ASP 16 16 19590 1 . ASP 17 17 19590 1 . LEU 18 18 19590 1 . SER 19 19 19590 1 . PHE 20 20 19590 1 . HIS 21 21 19590 1 . LYS 22 22 19590 1 . GLY 23 23 19590 1 . GLU 24 24 19590 1 . LYS 25 25 19590 1 . PHE 26 26 19590 1 . GLN 27 27 19590 1 . ILE 28 28 19590 1 . LEU 29 29 19590 1 . ASN 30 30 19590 1 . SER 31 31 19590 1 . SER 32 32 19590 1 . GLU 33 33 19590 1 . GLY 34 34 19590 1 . ASP 35 35 19590 1 . TRP 36 36 19590 1 . TRP 37 37 19590 1 . GLU 38 38 19590 1 . ALA 39 39 19590 1 . ARG 40 40 19590 1 . SER 41 41 19590 1 . LEU 42 42 19590 1 . THR 43 43 19590 1 . THR 44 44 19590 1 . GLY 45 45 19590 1 . GLU 46 46 19590 1 . THR 47 47 19590 1 . ALA 48 48 19590 1 . TYR 49 49 19590 1 . ILE 50 50 19590 1 . PRO 51 51 19590 1 . SER 52 52 19590 1 . ASN 53 53 19590 1 . TYR 54 54 19590 1 . VAL 55 55 19590 1 . ALA 56 56 19590 1 . PRO 57 57 19590 1 . VAL 58 58 19590 1 . ASP 59 59 19590 1 . ARG 60 60 19590 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 19590 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Fyn_SH3_G48A . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 19590 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 19590 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Fyn_SH3_G48A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET-29b(+) . . . . . . 19590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19590 _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 Fyn_SH3_G48A '[U-100% 13C; U-100% 15N]' . . 1 $Fyn_SH3_G48A . . 2.0 . . mM . . . . 19590 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19590 1 3 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19590 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 19590 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19590 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19590 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 19590 _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 pH 7.0 . pH 19590 1 pressure 1 . atm 19590 1 temperature 273 . K 19590 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19590 _Software.ID 1 _Software.Name NMRPipe _Software.Version '7.5 Rev 2012.204.11.07' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19590 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19590 1 processing 19590 1 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 19590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenically cooled probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19590 _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 Varian INOVA . 600 'cryogenically cooled probe' . . 19590 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 19590 _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 aliphatic 13C CEST' no 1 $2D_aliphatic_13C_CEST . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19590 1 stop_ save_ save_2D_aliphatic_13C_CEST _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_aliphatic_13C_CEST _NMR_spec_expt.Entry_ID 19590 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19590 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19590 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 19590 _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 aliphatic 13C CEST' . . . 19590 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 57.78 0.01 . 1 . . . . 1 SER CA . 19590 1 2 . 1 1 1 1 SER CB C 13 64.60 0.01 . 1 . . . . 1 SER CB . 19590 1 3 . 1 1 2 2 THR CA C 13 61.85 0.04 . 1 . . . . 2 THR CA . 19590 1 4 . 1 1 2 2 THR CB C 13 69.85 0.02 . 1 . . . . 2 THR CB . 19590 1 5 . 1 1 2 2 THR CG2 C 13 21.67 0.01 . 1 . . . . 2 THR CG2 . 19590 1 6 . 1 1 3 3 LEU CA C 13 55.54 0.02 . 1 . . . . 3 LEU CA . 19590 1 7 . 1 1 3 3 LEU CB C 13 42.27 0.01 . 1 . . . . 3 LEU CB . 19590 1 8 . 1 1 3 3 LEU CG C 13 26.88 0.03 . 1 . . . . 3 LEU CG . 19590 1 9 . 1 1 3 3 LEU CD1 C 13 24.71 0.01 . 2 . . . . 3 LEU CD1 . 19590 1 10 . 1 1 3 3 LEU CD2 C 13 23.65 0.01 . 2 . . . . 3 LEU CD2 . 19590 1 11 . 1 1 4 4 PHE CA C 13 57.85 0.01 . 1 . . . . 4 PHE CA . 19590 1 12 . 1 1 4 4 PHE CB C 13 39.44 0.01 . 1 . . . . 4 PHE CB . 19590 1 13 . 1 1 5 5 GLU CA C 13 56.64 0.01 . 1 . . . . 5 GLU CA . 19590 1 14 . 1 1 5 5 GLU CB C 13 30.46 0.01 . 1 . . . . 5 GLU CB . 19590 1 15 . 1 1 5 5 GLU CG C 13 36.34 0.01 . 1 . . . . 5 GLU CG . 19590 1 16 . 1 1 6 6 ALA CA C 13 52.45 0.04 . 1 . . . . 6 ALA CA . 19590 1 17 . 1 1 6 6 ALA CB C 13 19.12 0.01 . 1 . . . . 6 ALA CB . 19590 1 18 . 1 1 7 7 LEU CA C 13 55.24 0.02 . 1 . . . . 7 LEU CA . 19590 1 19 . 1 1 7 7 LEU CB C 13 42.49 0.02 . 1 . . . . 7 LEU CB . 19590 1 20 . 1 1 7 7 LEU CG C 13 26.94 0.03 . 1 . . . . 7 LEU CG . 19590 1 21 . 1 1 7 7 LEU CD1 C 13 24.92 0.01 . 2 . . . . 7 LEU CD1 . 19590 1 22 . 1 1 7 7 LEU CD2 C 13 23.47 0.01 . 2 . . . . 7 LEU CD2 . 19590 1 23 . 1 1 8 8 TYR CA C 13 57.51 0.01 . 1 . . . . 8 TYR CA . 19590 1 24 . 1 1 8 8 TYR CB C 13 38.94 0.01 . 1 . . . . 8 TYR CB . 19590 1 25 . 1 1 9 9 ASP CB C 13 40.99 0.01 . 1 . . . . 9 ASP CB . 19590 1 26 . 1 1 10 10 TYR CA C 13 58.47 0.01 . 1 . . . . 10 TYR CA . 19590 1 27 . 1 1 10 10 TYR CB C 13 38.64 0.02 . 1 . . . . 10 TYR CB . 19590 1 28 . 1 1 11 11 GLU CA C 13 56.56 0.01 . 1 . . . . 11 GLU CA . 19590 1 29 . 1 1 11 11 GLU CB C 13 30.33 0.01 . 1 . . . . 11 GLU CB . 19590 1 30 . 1 1 11 11 GLU CG C 13 36.43 0.01 . 1 . . . . 11 GLU CG . 19590 1 31 . 1 1 12 12 ALA CA C 13 52.47 0.01 . 1 . . . . 12 ALA CA . 19590 1 32 . 1 1 12 12 ALA CB C 13 19.05 0.01 . 1 . . . . 12 ALA CB . 19590 1 33 . 1 1 13 13 ARG CA C 13 55.90 0.01 . 1 . . . . 13 ARG CA . 19590 1 34 . 1 1 13 13 ARG CB C 13 30.99 0.01 . 1 . . . . 13 ARG CB . 19590 1 35 . 1 1 13 13 ARG CG C 13 27.05 0.01 . 1 . . . . 13 ARG CG . 19590 1 36 . 1 1 13 13 ARG CD C 13 43.22 0.01 . 1 . . . . 13 ARG CD . 19590 1 37 . 1 1 14 14 THR CB C 13 69.95 0.03 . 1 . . . . 14 THR CB . 19590 1 38 . 1 1 14 14 THR CG2 C 13 21.66 0.01 . 1 . . . . 14 THR CG2 . 19590 1 39 . 1 1 15 15 GLU CA C 13 57.14 0.01 . 1 . . . . 15 GLU CA . 19590 1 40 . 1 1 15 15 GLU CB C 13 30.04 0.01 . 1 . . . . 15 GLU CB . 19590 1 41 . 1 1 15 15 GLU CG C 13 36.21 0.01 . 1 . . . . 15 GLU CG . 19590 1 42 . 1 1 16 16 ASP CB C 13 41.26 0.01 . 1 . . . . 16 ASP CB . 19590 1 43 . 1 1 17 17 ASP CA C 13 54.70 0.01 . 1 . . . . 17 ASP CA . 19590 1 44 . 1 1 17 17 ASP CB C 13 41.20 0.01 . 1 . . . . 17 ASP CB . 19590 1 45 . 1 1 18 18 LEU CA C 13 55.75 0.02 . 1 . . . . 18 LEU CA . 19590 1 46 . 1 1 18 18 LEU CB C 13 41.75 0.01 . 1 . . . . 18 LEU CB . 19590 1 47 . 1 1 18 18 LEU CG C 13 26.68 0.03 . 1 . . . . 18 LEU CG . 19590 1 48 . 1 1 18 18 LEU CD1 C 13 24.84 0.01 . 2 . . . . 18 LEU CD1 . 19590 1 49 . 1 1 18 18 LEU CD2 C 13 23.23 0.01 . 2 . . . . 18 LEU CD2 . 19590 1 50 . 1 1 19 19 SER CB C 13 63.54 0.01 . 1 . . . . 19 SER CB . 19590 1 51 . 1 1 20 20 PHE CA C 13 58.10 0.02 . 1 . . . . 20 PHE CA . 19590 1 52 . 1 1 20 20 PHE CB C 13 39.35 0.02 . 1 . . . . 20 PHE CB . 19590 1 53 . 1 1 21 21 HIS CA C 13 56.20 0.01 . 1 . . . . 21 HIS CA . 19590 1 54 . 1 1 21 21 HIS CB C 13 30.35 0.01 . 1 . . . . 21 HIS CB . 19590 1 55 . 1 1 22 22 LYS CA C 13 56.67 0.02 . 1 . . . . 22 LYS CA . 19590 1 56 . 1 1 22 22 LYS CB C 13 32.95 0.03 . 1 . . . . 22 LYS CB . 19590 1 57 . 1 1 22 22 LYS CG C 13 24.82 0.02 . 1 . . . . 22 LYS CG . 19590 1 58 . 1 1 22 22 LYS CD C 13 29.11 0.01 . 1 . . . . 22 LYS CD . 19590 1 59 . 1 1 22 22 LYS CE C 13 41.94 0.01 . 1 . . . . 22 LYS CE . 19590 1 60 . 1 1 23 23 GLY CA C 13 45.22 0.03 . 1 . . . . 23 GLY CA . 19590 1 61 . 1 1 24 24 GLU CA C 13 56.77 0.02 . 1 . . . . 24 GLU CA . 19590 1 62 . 1 1 24 24 GLU CB C 13 30.34 0.02 . 1 . . . . 24 GLU CB . 19590 1 63 . 1 1 24 24 GLU CG C 13 36.24 0.01 . 1 . . . . 24 GLU CG . 19590 1 64 . 1 1 25 25 LYS CA C 13 56.42 0.01 . 1 . . . . 25 LYS CA . 19590 1 65 . 1 1 25 25 LYS CB C 13 32.90 0.01 . 1 . . . . 25 LYS CB . 19590 1 66 . 1 1 25 25 LYS CG C 13 24.71 0.01 . 1 . . . . 25 LYS CG . 19590 1 67 . 1 1 25 25 LYS CD C 13 29.00 0.01 . 1 . . . . 25 LYS CD . 19590 1 68 . 1 1 25 25 LYS CE C 13 42.02 0.01 . 1 . . . . 25 LYS CE . 19590 1 69 . 1 1 26 26 PHE CA C 13 57.64 0.02 . 1 . . . . 26 PHE CA . 19590 1 70 . 1 1 26 26 PHE CB C 13 39.69 0.01 . 1 . . . . 26 PHE CB . 19590 1 71 . 1 1 27 27 GLN CA C 13 55.60 0.01 . 1 . . . . 27 GLN CA . 19590 1 72 . 1 1 27 27 GLN CB C 13 29.82 0.01 . 1 . . . . 27 GLN CB . 19590 1 73 . 1 1 27 27 GLN CG C 13 33.63 0.01 . 1 . . . . 27 GLN CG . 19590 1 74 . 1 1 28 28 ILE CA C 13 61.22 0.01 . 1 . . . . 28 ILE CA . 19590 1 75 . 1 1 28 28 ILE CB C 13 38.48 0.01 . 1 . . . . 28 ILE CB . 19590 1 76 . 1 1 28 28 ILE CG1 C 13 27.44 0.01 . 1 . . . . 28 ILE CG1 . 19590 1 77 . 1 1 28 28 ILE CG2 C 13 17.50 0.01 . 1 . . . . 28 ILE CG2 . 19590 1 78 . 1 1 28 28 ILE CD1 C 13 12.89 0.01 . 1 . . . . 28 ILE CD1 . 19590 1 79 . 1 1 29 29 LEU CA C 13 55.09 0.01 . 1 . . . . 29 LEU CA . 19590 1 80 . 1 1 29 29 LEU CB C 13 42.19 0.13 . 1 . . . . 29 LEU CB . 19590 1 81 . 1 1 29 29 LEU CG C 13 26.97 0.01 . 1 . . . . 29 LEU CG . 19590 1 82 . 1 1 29 29 LEU CD1 C 13 24.87 0.01 . 2 . . . . 29 LEU CD1 . 19590 1 83 . 1 1 29 29 LEU CD2 C 13 23.44 0.01 . 2 . . . . 29 LEU CD2 . 19590 1 84 . 1 1 30 30 ASN CB C 13 38.97 0.01 . 1 . . . . 30 ASN CB . 19590 1 85 . 1 1 31 31 SER CA C 13 58.45 0.01 . 1 . . . . 31 SER CA . 19590 1 86 . 1 1 31 31 SER CB C 13 63.80 0.01 . 1 . . . . 31 SER CB . 19590 1 87 . 1 1 32 32 SER CA C 13 58.69 0.01 . 1 . . . . 32 SER CA . 19590 1 88 . 1 1 32 32 SER CB C 13 63.73 0.01 . 1 . . . . 32 SER CB . 19590 1 89 . 1 1 33 33 GLU CA C 13 56.88 0.02 . 1 . . . . 33 GLU CA . 19590 1 90 . 1 1 33 33 GLU CB C 13 30.19 0.01 . 1 . . . . 33 GLU CB . 19590 1 91 . 1 1 33 33 GLU CG C 13 36.12 0.01 . 1 . . . . 33 GLU CG . 19590 1 92 . 1 1 34 34 GLY CA C 13 45.27 0.01 . 1 . . . . 34 GLY CA . 19590 1 93 . 1 1 35 35 ASP CA C 13 54.43 0.01 . 1 . . . . 35 ASP CA . 19590 1 94 . 1 1 35 35 ASP CB C 13 40.83 0.01 . 1 . . . . 35 ASP CB . 19590 1 95 . 1 1 36 36 TRP CA C 13 57.99 0.02 . 1 . . . . 36 TRP CA . 19590 1 96 . 1 1 36 36 TRP CB C 13 29.32 0.01 . 1 . . . . 36 TRP CB . 19590 1 97 . 1 1 37 37 TRP CA C 13 57.82 0.02 . 1 . . . . 37 TRP CA . 19590 1 98 . 1 1 37 37 TRP CB C 13 29.12 0.01 . 1 . . . . 37 TRP CB . 19590 1 99 . 1 1 38 38 GLU CA C 13 56.95 0.02 . 1 . . . . 38 GLU CA . 19590 1 100 . 1 1 38 38 GLU CB C 13 30.30 0.02 . 1 . . . . 38 GLU CB . 19590 1 101 . 1 1 38 38 GLU CG C 13 36.20 0.01 . 1 . . . . 38 GLU CG . 19590 1 102 . 1 1 39 39 ALA CA C 13 52.76 0.02 . 1 . . . . 39 ALA CA . 19590 1 103 . 1 1 39 39 ALA CB C 13 18.99 0.01 . 1 . . . . 39 ALA CB . 19590 1 104 . 1 1 40 40 ARG CA C 13 56.18 0.02 . 1 . . . . 40 ARG CA . 19590 1 105 . 1 1 40 40 ARG CB C 13 30.81 0.01 . 1 . . . . 40 ARG CB . 19590 1 106 . 1 1 40 40 ARG CG C 13 26.89 0.03 . 1 . . . . 40 ARG CG . 19590 1 107 . 1 1 40 40 ARG CD C 13 43.28 0.01 . 1 . . . . 40 ARG CD . 19590 1 108 . 1 1 41 41 SER CB C 13 63.52 0.03 . 1 . . . . 41 SER CB . 19590 1 109 . 1 1 42 42 LEU CA C 13 55.44 0.01 . 1 . . . . 42 LEU CA . 19590 1 110 . 1 1 42 42 LEU CB C 13 42.39 0.01 . 1 . . . . 42 LEU CB . 19590 1 111 . 1 1 42 42 LEU CG C 13 27.00 0.01 . 1 . . . . 42 LEU CG . 19590 1 112 . 1 1 42 42 LEU CD1 C 13 25.05 0.01 . 2 . . . . 42 LEU CD1 . 19590 1 113 . 1 1 42 42 LEU CD2 C 13 23.28 0.01 . 2 . . . . 42 LEU CD2 . 19590 1 114 . 1 1 43 43 THR CA C 13 61.96 0.01 . 1 . . . . 43 THR CA . 19590 1 115 . 1 1 43 43 THR CB C 13 69.69 0.01 . 1 . . . . 43 THR CB . 19590 1 116 . 1 1 43 43 THR CG2 C 13 21.58 0.01 . 1 . . . . 43 THR CG2 . 19590 1 117 . 1 1 44 44 THR CA C 13 62.01 0.02 . 1 . . . . 44 THR CA . 19590 1 118 . 1 1 44 44 THR CB C 13 69.87 0.02 . 1 . . . . 44 THR CB . 19590 1 119 . 1 1 44 44 THR CG2 C 13 21.52 0.01 . 1 . . . . 44 THR CG2 . 19590 1 120 . 1 1 45 45 GLY CA C 13 45.32 0.02 . 1 . . . . 45 GLY CA . 19590 1 121 . 1 1 46 46 GLU CA C 13 56.44 0.03 . 1 . . . . 46 GLU CA . 19590 1 122 . 1 1 46 46 GLU CB C 13 30.54 0.01 . 1 . . . . 46 GLU CB . 19590 1 123 . 1 1 46 46 GLU CG C 13 36.30 0.03 . 1 . . . . 46 GLU CG . 19590 1 124 . 1 1 47 47 THR CA C 13 61.87 0.02 . 1 . . . . 47 THR CA . 19590 1 125 . 1 1 47 47 THR CB C 13 69.85 0.01 . 1 . . . . 47 THR CB . 19590 1 126 . 1 1 47 47 THR CG2 C 13 21.58 0.01 . 1 . . . . 47 THR CG2 . 19590 1 127 . 1 1 48 48 ALA CA C 13 52.22 0.01 . 1 . . . . 48 ALA CA . 19590 1 128 . 1 1 48 48 ALA CB C 13 19.51 0.01 . 1 . . . . 48 ALA CB . 19590 1 129 . 1 1 49 49 TYR CA C 13 57.74 0.02 . 1 . . . . 49 TYR CA . 19590 1 130 . 1 1 49 49 TYR CB C 13 38.90 0.01 . 1 . . . . 49 TYR CB . 19590 1 131 . 1 1 50 50 ILE CA C 13 57.86 0.01 . 1 . . . . 50 ILE CA . 19590 1 132 . 1 1 50 50 ILE CB C 13 39.09 0.01 . 1 . . . . 50 ILE CB . 19590 1 133 . 1 1 50 50 ILE CG1 C 13 26.95 0.01 . 1 . . . . 50 ILE CG1 . 19590 1 134 . 1 1 50 50 ILE CG2 C 13 17.03 0.01 . 1 . . . . 50 ILE CG2 . 19590 1 135 . 1 1 50 50 ILE CD1 C 13 12.64 0.01 . 1 . . . . 50 ILE CD1 . 19590 1 136 . 1 1 51 51 PRO CA C 13 63.04 0.01 . 1 . . . . 51 PRO CA . 19590 1 137 . 1 1 51 51 PRO CB C 13 32.14 0.01 . 1 . . . . 51 PRO CB . 19590 1 138 . 1 1 51 51 PRO CG C 13 27.25 0.01 . 1 . . . . 51 PRO CG . 19590 1 139 . 1 1 51 51 PRO CD C 13 50.88 0.02 . 1 . . . . 51 PRO CD . 19590 1 140 . 1 1 52 52 SER CA C 13 58.59 0.06 . 1 . . . . 52 SER CA . 19590 1 141 . 1 1 53 53 ASN CA C 13 53.08 0.02 . 1 . . . . 53 ASN CA . 19590 1 142 . 1 1 53 53 ASN CB C 13 38.55 0.01 . 1 . . . . 53 ASN CB . 19590 1 143 . 1 1 54 54 TYR CA C 13 58.50 0.02 . 1 . . . . 54 TYR CA . 19590 1 144 . 1 1 54 54 TYR CB C 13 39.07 0.03 . 1 . . . . 54 TYR CB . 19590 1 145 . 1 1 55 55 VAL CA C 13 61.31 0.01 . 1 . . . . 55 VAL CA . 19590 1 146 . 1 1 55 55 VAL CB C 13 33.26 0.01 . 1 . . . . 55 VAL CB . 19590 1 147 . 1 1 55 55 VAL CG1 C 13 21.03 0.01 . 2 . . . . 55 VAL CG1 . 19590 1 148 . 1 1 55 55 VAL CG2 C 13 20.57 0.01 . 2 . . . . 55 VAL CG2 . 19590 1 149 . 1 1 56 56 ALA CA C 13 50.32 0.02 . 1 . . . . 56 ALA CA . 19590 1 150 . 1 1 56 56 ALA CB C 13 17.84 0.01 . 1 . . . . 56 ALA CB . 19590 1 151 . 1 1 57 57 PRO CA C 13 62.92 0.07 . 1 . . . . 57 PRO CA . 19590 1 152 . 1 1 57 57 PRO CB C 13 32.10 0.01 . 1 . . . . 57 PRO CB . 19590 1 153 . 1 1 57 57 PRO CG C 13 27.47 0.02 . 1 . . . . 57 PRO CG . 19590 1 154 . 1 1 57 57 PRO CD C 13 50.28 0.02 . 1 . . . . 57 PRO CD . 19590 1 155 . 1 1 58 58 VAL CA C 13 62.12 0.01 . 1 . . . . 58 VAL CA . 19590 1 156 . 1 1 58 58 VAL CB C 13 32.75 0.03 . 1 . . . . 58 VAL CB . 19590 1 157 . 1 1 58 58 VAL CG1 C 13 21.15 0.01 . 2 . . . . 58 VAL CG1 . 19590 1 158 . 1 1 58 58 VAL CG2 C 13 20.18 0.01 . 2 . . . . 58 VAL CG2 . 19590 1 159 . 1 1 59 59 ASP CA C 13 54.05 0.03 . 1 . . . . 59 ASP CA . 19590 1 160 . 1 1 59 59 ASP CB C 13 41.16 0.01 . 1 . . . . 59 ASP CB . 19590 1 161 . 1 1 60 60 ARG CA C 13 57.05 0.19 . 1 . . . . 60 ARG CA . 19590 1 162 . 1 1 60 60 ARG CB C 13 31.56 0.01 . 1 . . . . 60 ARG CB . 19590 1 163 . 1 1 60 60 ARG CG C 13 26.73 0.01 . 1 . . . . 60 ARG CG . 19590 1 164 . 1 1 60 60 ARG CD C 13 43.30 0.01 . 1 . . . . 60 ARG CD . 19590 1 stop_ save_