data_51359 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51359 _Entry.Title ; Backbone resonance assignments of the N-terminal domain of Sam68 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-11 _Entry.Accession_date 2022-03-11 _Entry.Last_release_date 2022-03-11 _Entry.Original_release_date 2022-03-11 _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 1 _Entry.Generated_software_label $software_1 _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 Idir Malki . . . . 51359 2 Cyril Dominguez . . . . 51359 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51359 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 91 51359 '15N chemical shifts' 50 51359 '1H chemical shifts' 50 51359 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 . . 2022-12-06 2022-03-11 update BMRB 'update entry citation' 51359 1 . . 2022-11-23 2022-03-11 original author 'original release' 51359 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51360 'Sam68 C-terminal domain' 51359 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51359 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36537190 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cdk1-mediated threonine phosphorylation of Sam68 modulates its RNA binding, alternative splicing activity and cellular functions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 50 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 13045 _Citation.Page_last 13062 _Citation.Year 2022 _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 Idir Malki I. . . . 51359 1 2 Inara Liepina I. . . . 51359 1 3 Nora Kogelnik N. . . . 51359 1 4 Hollie Watmuff H. . . . 51359 1 5 Sue Robinson S. . . . 51359 1 6 Adam Lightfoot A. . . . 51359 1 7 Oksana Gonchar O. . . . 51359 1 8 Andrew Bottrill A. . . . 51359 1 9 Andrew Fry A. M. . . 51359 1 10 Cyril Dominguez C. . . . 51359 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51359 _Assembly.ID 1 _Assembly.Name 'Sam68 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Sam68 N-terminal domain' 1 $entity_1 . . yes native no no . . . 51359 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51359 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SMQRRDDPAARMSRSSGRSG SMDPSGAHPSVRQTPSRQPP LPHRSRGGGGGSRGGARASP ATQPPPLLPPSATGPDATVG GPAPTPLLPPSATASVK ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 0 SER . 51359 1 2 1 MET . 51359 1 3 2 GLN . 51359 1 4 3 ARG . 51359 1 5 4 ARG . 51359 1 6 5 ASP . 51359 1 7 6 ASP . 51359 1 8 7 PRO . 51359 1 9 8 ALA . 51359 1 10 9 ALA . 51359 1 11 10 ARG . 51359 1 12 11 MET . 51359 1 13 12 SER . 51359 1 14 13 ARG . 51359 1 15 14 SER . 51359 1 16 15 SER . 51359 1 17 16 GLY . 51359 1 18 17 ARG . 51359 1 19 18 SER . 51359 1 20 19 GLY . 51359 1 21 20 SER . 51359 1 22 21 MET . 51359 1 23 22 ASP . 51359 1 24 23 PRO . 51359 1 25 24 SER . 51359 1 26 25 GLY . 51359 1 27 26 ALA . 51359 1 28 27 HIS . 51359 1 29 28 PRO . 51359 1 30 29 SER . 51359 1 31 30 VAL . 51359 1 32 31 ARG . 51359 1 33 32 GLN . 51359 1 34 33 THR . 51359 1 35 34 PRO . 51359 1 36 35 SER . 51359 1 37 36 ARG . 51359 1 38 37 GLN . 51359 1 39 38 PRO . 51359 1 40 39 PRO . 51359 1 41 40 LEU . 51359 1 42 41 PRO . 51359 1 43 42 HIS . 51359 1 44 43 ARG . 51359 1 45 44 SER . 51359 1 46 45 ARG . 51359 1 47 46 GLY . 51359 1 48 47 GLY . 51359 1 49 48 GLY . 51359 1 50 49 GLY . 51359 1 51 50 GLY . 51359 1 52 51 SER . 51359 1 53 52 ARG . 51359 1 54 53 GLY . 51359 1 55 54 GLY . 51359 1 56 55 ALA . 51359 1 57 56 ARG . 51359 1 58 57 ALA . 51359 1 59 58 SER . 51359 1 60 59 PRO . 51359 1 61 60 ALA . 51359 1 62 61 THR . 51359 1 63 62 GLN . 51359 1 64 63 PRO . 51359 1 65 64 PRO . 51359 1 66 65 PRO . 51359 1 67 66 LEU . 51359 1 68 67 LEU . 51359 1 69 68 PRO . 51359 1 70 69 PRO . 51359 1 71 70 SER . 51359 1 72 71 ALA . 51359 1 73 72 THR . 51359 1 74 73 GLY . 51359 1 75 74 PRO . 51359 1 76 75 ASP . 51359 1 77 76 ALA . 51359 1 78 77 THR . 51359 1 79 78 VAL . 51359 1 80 79 GLY . 51359 1 81 80 GLY . 51359 1 82 81 PRO . 51359 1 83 82 ALA . 51359 1 84 83 PRO . 51359 1 85 84 THR . 51359 1 86 85 PRO . 51359 1 87 86 LEU . 51359 1 88 87 LEU . 51359 1 89 88 PRO . 51359 1 90 89 PRO . 51359 1 91 90 SER . 51359 1 92 91 ALA . 51359 1 93 92 THR . 51359 1 94 93 ALA . 51359 1 95 94 SER . 51359 1 96 95 VAL . 51359 1 97 96 LYS . 51359 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 51359 1 . MET 2 2 51359 1 . GLN 3 3 51359 1 . ARG 4 4 51359 1 . ARG 5 5 51359 1 . ASP 6 6 51359 1 . ASP 7 7 51359 1 . PRO 8 8 51359 1 . ALA 9 9 51359 1 . ALA 10 10 51359 1 . ARG 11 11 51359 1 . MET 12 12 51359 1 . SER 13 13 51359 1 . ARG 14 14 51359 1 . SER 15 15 51359 1 . SER 16 16 51359 1 . GLY 17 17 51359 1 . ARG 18 18 51359 1 . SER 19 19 51359 1 . GLY 20 20 51359 1 . SER 21 21 51359 1 . MET 22 22 51359 1 . ASP 23 23 51359 1 . PRO 24 24 51359 1 . SER 25 25 51359 1 . GLY 26 26 51359 1 . ALA 27 27 51359 1 . HIS 28 28 51359 1 . PRO 29 29 51359 1 . SER 30 30 51359 1 . VAL 31 31 51359 1 . ARG 32 32 51359 1 . GLN 33 33 51359 1 . THR 34 34 51359 1 . PRO 35 35 51359 1 . SER 36 36 51359 1 . ARG 37 37 51359 1 . GLN 38 38 51359 1 . PRO 39 39 51359 1 . PRO 40 40 51359 1 . LEU 41 41 51359 1 . PRO 42 42 51359 1 . HIS 43 43 51359 1 . ARG 44 44 51359 1 . SER 45 45 51359 1 . ARG 46 46 51359 1 . GLY 47 47 51359 1 . GLY 48 48 51359 1 . GLY 49 49 51359 1 . GLY 50 50 51359 1 . GLY 51 51 51359 1 . SER 52 52 51359 1 . ARG 53 53 51359 1 . GLY 54 54 51359 1 . GLY 55 55 51359 1 . ALA 56 56 51359 1 . ARG 57 57 51359 1 . ALA 58 58 51359 1 . SER 59 59 51359 1 . PRO 60 60 51359 1 . ALA 61 61 51359 1 . THR 62 62 51359 1 . GLN 63 63 51359 1 . PRO 64 64 51359 1 . PRO 65 65 51359 1 . PRO 66 66 51359 1 . LEU 67 67 51359 1 . LEU 68 68 51359 1 . PRO 69 69 51359 1 . PRO 70 70 51359 1 . SER 71 71 51359 1 . ALA 72 72 51359 1 . THR 73 73 51359 1 . GLY 74 74 51359 1 . PRO 75 75 51359 1 . ASP 76 76 51359 1 . ALA 77 77 51359 1 . THR 78 78 51359 1 . VAL 79 79 51359 1 . GLY 80 80 51359 1 . GLY 81 81 51359 1 . PRO 82 82 51359 1 . ALA 83 83 51359 1 . PRO 84 84 51359 1 . THR 85 85 51359 1 . PRO 86 86 51359 1 . LEU 87 87 51359 1 . LEU 88 88 51359 1 . PRO 89 89 51359 1 . PRO 90 90 51359 1 . SER 91 91 51359 1 . ALA 92 92 51359 1 . THR 93 93 51359 1 . ALA 94 94 51359 1 . SER 95 95 51359 1 . VAL 96 96 51359 1 . LYS 97 97 51359 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51359 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51359 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51359 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pLEICS-01 . . . 51359 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51359 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'N-terminal domain of Sam68' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51359 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 51359 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Low temperature conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 51359 1 pH 7.0 . pH 51359 1 pressure 1 . atm 51359 1 temperature 278 . K 51359 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51359 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51359 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51359 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51359 _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 no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51359 1 2 '3D CBCACONH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51359 1 3 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51359 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51359 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Sam68 N-terminal domain' _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 . . . . . 51359 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51359 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51359 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51359 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone resonance assignments of Sam68 N-terminal domain' _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 $chem_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' . . . 51359 1 2 '3D CBCACONH' . . . 51359 1 3 '3D HNCACB' . . . 51359 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 1 $software_1 . . 51359 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 9 9 ALA H H 1 8.303 0.002 . 1 . . . . . 8 ALA H . 51359 1 2 . 1 . 1 9 9 ALA CA C 13 53.232 0.017 . 1 . . . . . 8 ALA CA . 51359 1 3 . 1 . 1 9 9 ALA CB C 13 18.668 0.018 . 1 . . . . . 8 ALA CB . 51359 1 4 . 1 . 1 9 9 ALA N N 15 121.116 0.009 . 1 . . . . . 8 ALA N . 51359 1 5 . 1 . 1 10 10 ALA H H 1 7.888 0.001 . 1 . . . . . 9 ALA H . 51359 1 6 . 1 . 1 10 10 ALA CA C 13 53.032 0.038 . 1 . . . . . 9 ALA CA . 51359 1 7 . 1 . 1 10 10 ALA CB C 13 18.970 0.024 . 1 . . . . . 9 ALA CB . 51359 1 8 . 1 . 1 10 10 ALA N N 15 121.856 0.010 . 1 . . . . . 9 ALA N . 51359 1 9 . 1 . 1 11 11 ARG H H 1 8.044 0.002 . 1 . . . . . 10 ARG H . 51359 1 10 . 1 . 1 11 11 ARG CA C 13 56.813 0.006 . 1 . . . . . 10 ARG CA . 51359 1 11 . 1 . 1 11 11 ARG CB C 13 30.587 0.015 . 1 . . . . . 10 ARG CB . 51359 1 12 . 1 . 1 11 11 ARG N N 15 118.813 0.004 . 1 . . . . . 10 ARG N . 51359 1 13 . 1 . 1 12 12 MET H H 1 8.276 0.001 . 1 . . . . . 11 MET H . 51359 1 14 . 1 . 1 12 12 MET CA C 13 55.828 0.000 . 1 . . . . . 11 MET CA . 51359 1 15 . 1 . 1 12 12 MET CB C 13 32.719 0.000 . 1 . . . . . 11 MET CB . 51359 1 16 . 1 . 1 12 12 MET N N 15 120.423 0.083 . 1 . . . . . 11 MET N . 51359 1 17 . 1 . 1 19 19 SER H H 1 8.563 0.004 . 1 . . . . . 18 SER H . 51359 1 18 . 1 . 1 19 19 SER CA C 13 58.686 0.005 . 1 . . . . . 18 SER CA . 51359 1 19 . 1 . 1 19 19 SER CB C 13 63.710 0.000 . 1 . . . . . 18 SER CB . 51359 1 20 . 1 . 1 19 19 SER N N 15 117.292 0.071 . 1 . . . . . 18 SER N . 51359 1 21 . 1 . 1 20 20 GLY H H 1 8.560 0.003 . 1 . . . . . 19 GLY H . 51359 1 22 . 1 . 1 20 20 GLY N N 15 111.093 0.007 . 1 . . . . . 19 GLY N . 51359 1 23 . 1 . 1 21 21 SER H H 1 8.265 0.001 . 1 . . . . . 20 SER H . 51359 1 24 . 1 . 1 21 21 SER CA C 13 58.460 0.032 . 1 . . . . . 20 SER CA . 51359 1 25 . 1 . 1 21 21 SER CB C 13 63.772 0.050 . 1 . . . . . 20 SER CB . 51359 1 26 . 1 . 1 21 21 SER N N 15 115.419 0.007 . 1 . . . . . 20 SER N . 51359 1 27 . 1 . 1 22 22 MET H H 1 8.475 0.001 . 1 . . . . . 21 MET H . 51359 1 28 . 1 . 1 22 22 MET CA C 13 55.126 0.006 . 1 . . . . . 21 MET CA . 51359 1 29 . 1 . 1 22 22 MET CB C 13 32.714 0.099 . 1 . . . . . 21 MET CB . 51359 1 30 . 1 . 1 22 22 MET N N 15 121.776 0.010 . 1 . . . . . 21 MET N . 51359 1 31 . 1 . 1 23 23 ASP H H 1 8.409 0.003 . 1 . . . . . 22 ASP H . 51359 1 32 . 1 . 1 23 23 ASP CA C 13 52.337 0.000 . 1 . . . . . 22 ASP CA . 51359 1 33 . 1 . 1 23 23 ASP CB C 13 41.071 0.000 . 1 . . . . . 22 ASP CB . 51359 1 34 . 1 . 1 23 23 ASP N N 15 122.904 0.001 . 1 . . . . . 22 ASP N . 51359 1 35 . 1 . 1 26 26 GLY H H 1 8.241 0.005 . 1 . . . . . 25 GLY H . 51359 1 36 . 1 . 1 26 26 GLY CA C 13 45.244 0.000 . 1 . . . . . 25 GLY CA . 51359 1 37 . 1 . 1 26 26 GLY N N 15 110.423 0.008 . 1 . . . . . 25 GLY N . 51359 1 38 . 1 . 1 27 27 ALA H H 1 8.039 0.001 . 1 . . . . . 26 ALA H . 51359 1 39 . 1 . 1 27 27 ALA CA C 13 52.280 0.024 . 1 . . . . . 26 ALA CA . 51359 1 40 . 1 . 1 27 27 ALA CB C 13 19.379 0.011 . 1 . . . . . 26 ALA CB . 51359 1 41 . 1 . 1 27 27 ALA N N 15 122.733 0.014 . 1 . . . . . 26 ALA N . 51359 1 42 . 1 . 1 28 28 HIS H H 1 8.470 0.010 . 1 . . . . . 27 HIS H . 51359 1 43 . 1 . 1 28 28 HIS CA C 13 54.021 0.000 . 1 . . . . . 27 HIS CA . 51359 1 44 . 1 . 1 28 28 HIS CB C 13 29.877 0.000 . 1 . . . . . 27 HIS CB . 51359 1 45 . 1 . 1 28 28 HIS N N 15 119.330 0.242 . 1 . . . . . 27 HIS N . 51359 1 46 . 1 . 1 30 30 SER H H 1 8.736 0.020 . 1 . . . . . 29 SER H . 51359 1 47 . 1 . 1 30 30 SER CA C 13 58.544 0.042 . 1 . . . . . 29 SER CA . 51359 1 48 . 1 . 1 30 30 SER CB C 13 63.776 0.012 . 1 . . . . . 29 SER CB . 51359 1 49 . 1 . 1 30 30 SER N N 15 116.589 0.049 . 1 . . . . . 29 SER N . 51359 1 50 . 1 . 1 31 31 VAL H H 1 8.262 0.004 . 1 . . . . . 30 VAL H . 51359 1 51 . 1 . 1 31 31 VAL CA C 13 62.248 0.032 . 1 . . . . . 30 VAL CA . 51359 1 52 . 1 . 1 31 31 VAL CB C 13 32.750 0.038 . 1 . . . . . 30 VAL CB . 51359 1 53 . 1 . 1 31 31 VAL N N 15 121.988 0.039 . 1 . . . . . 30 VAL N . 51359 1 54 . 1 . 1 32 32 ARG H H 1 8.464 0.010 . 1 . . . . . 31 ARG H . 51359 1 55 . 1 . 1 32 32 ARG CA C 13 56.072 0.001 . 1 . . . . . 31 ARG CA . 51359 1 56 . 1 . 1 32 32 ARG CB C 13 30.827 0.002 . 1 . . . . . 31 ARG CB . 51359 1 57 . 1 . 1 32 32 ARG N N 15 125.122 0.126 . 1 . . . . . 31 ARG N . 51359 1 58 . 1 . 1 33 33 GLN H H 1 8.602 0.031 . 1 . . . . . 32 GLN H . 51359 1 59 . 1 . 1 33 33 GLN CA C 13 55.526 0.031 . 1 . . . . . 32 GLN CA . 51359 1 60 . 1 . 1 33 33 GLN CB C 13 29.797 0.030 . 1 . . . . . 32 GLN CB . 51359 1 61 . 1 . 1 33 33 GLN N N 15 122.669 0.190 . 1 . . . . . 32 GLN N . 51359 1 62 . 1 . 1 34 34 THR H H 1 8.430 0.018 . 1 . . . . . 33 THR H . 51359 1 63 . 1 . 1 34 34 THR CA C 13 59.968 0.000 . 1 . . . . . 33 THR CA . 51359 1 64 . 1 . 1 34 34 THR CB C 13 69.634 0.000 . 1 . . . . . 33 THR CB . 51359 1 65 . 1 . 1 34 34 THR N N 15 118.925 0.071 . 1 . . . . . 33 THR N . 51359 1 66 . 1 . 1 36 36 SER H H 1 8.561 0.008 . 1 . . . . . 35 SER H . 51359 1 67 . 1 . 1 36 36 SER CA C 13 58.441 0.000 . 1 . . . . . 35 SER CA . 51359 1 68 . 1 . 1 36 36 SER CB C 13 63.786 0.000 . 1 . . . . . 35 SER CB . 51359 1 69 . 1 . 1 36 36 SER N N 15 116.598 0.151 . 1 . . . . . 35 SER N . 51359 1 70 . 1 . 1 37 37 ARG H H 1 8.494 0.052 . 1 . . . . . 36 ARG H . 51359 1 71 . 1 . 1 37 37 ARG CA C 13 53.545 0.000 . 1 . . . . . 36 ARG CA . 51359 1 72 . 1 . 1 37 37 ARG CB C 13 28.883 0.000 . 1 . . . . . 36 ARG CB . 51359 1 73 . 1 . 1 37 37 ARG N N 15 123.014 0.117 . 1 . . . . . 36 ARG N . 51359 1 74 . 1 . 1 46 46 ARG H H 1 8.670 0.003 . 1 . . . . . 45 ARG H . 51359 1 75 . 1 . 1 46 46 ARG CA C 13 56.369 0.016 . 1 . . . . . 45 ARG CA . 51359 1 76 . 1 . 1 46 46 ARG CB C 13 30.681 0.008 . 1 . . . . . 45 ARG CB . 51359 1 77 . 1 . 1 46 46 ARG N N 15 123.485 0.006 . 1 . . . . . 45 ARG N . 51359 1 78 . 1 . 1 47 47 GLY H H 1 8.573 0.005 . 1 . . . . . 46 GLY H . 51359 1 79 . 1 . 1 47 47 GLY CA C 13 45.309 0.000 . 1 . . . . . 46 GLY CA . 51359 1 80 . 1 . 1 47 47 GLY N N 15 109.854 0.011 . 1 . . . . . 46 GLY N . 51359 1 81 . 1 . 1 52 52 SER H H 1 8.434 0.001 . 1 . . . . . 51 SER H . 51359 1 82 . 1 . 1 52 52 SER CA C 13 58.497 0.000 . 1 . . . . . 51 SER CA . 51359 1 83 . 1 . 1 52 52 SER CB C 13 63.731 0.001 . 1 . . . . . 51 SER CB . 51359 1 84 . 1 . 1 52 52 SER N N 15 115.834 0.069 . 1 . . . . . 51 SER N . 51359 1 85 . 1 . 1 53 53 ARG H H 1 8.606 0.008 . 1 . . . . . 52 ARG H . 51359 1 86 . 1 . 1 53 53 ARG CA C 13 56.316 0.011 . 1 . . . . . 52 ARG CA . 51359 1 87 . 1 . 1 53 53 ARG CB C 13 30.487 0.012 . 1 . . . . . 52 ARG CB . 51359 1 88 . 1 . 1 53 53 ARG N N 15 123.026 0.005 . 1 . . . . . 52 ARG N . 51359 1 89 . 1 . 1 54 54 GLY H H 1 8.489 0.004 . 1 . . . . . 53 GLY H . 51359 1 90 . 1 . 1 54 54 GLY CA C 13 45.373 0.001 . 1 . . . . . 53 GLY CA . 51359 1 91 . 1 . 1 54 54 GLY N N 15 109.707 0.018 . 1 . . . . . 53 GLY N . 51359 1 92 . 1 . 1 55 55 GLY H H 1 8.321 0.003 . 1 . . . . . 54 GLY H . 51359 1 93 . 1 . 1 55 55 GLY CA C 13 45.023 0.028 . 1 . . . . . 54 GLY CA . 51359 1 94 . 1 . 1 55 55 GLY N N 15 108.729 0.009 . 1 . . . . . 54 GLY N . 51359 1 95 . 1 . 1 56 56 ALA H H 1 8.275 0.002 . 1 . . . . . 55 ALA H . 51359 1 96 . 1 . 1 56 56 ALA CA C 13 52.500 0.021 . 1 . . . . . 55 ALA CA . 51359 1 97 . 1 . 1 56 56 ALA CB C 13 19.288 0.010 . 1 . . . . . 55 ALA CB . 51359 1 98 . 1 . 1 56 56 ALA N N 15 123.640 0.010 . 1 . . . . . 55 ALA N . 51359 1 99 . 1 . 1 57 57 ARG H H 1 8.429 0.002 . 1 . . . . . 56 ARG H . 51359 1 100 . 1 . 1 57 57 ARG CA C 13 55.788 0.012 . 1 . . . . . 56 ARG CA . 51359 1 101 . 1 . 1 57 57 ARG CB C 13 30.885 0.007 . 1 . . . . . 56 ARG CB . 51359 1 102 . 1 . 1 57 57 ARG N N 15 120.566 0.029 . 1 . . . . . 56 ARG N . 51359 1 103 . 1 . 1 58 58 ALA H H 1 8.428 0.002 . 1 . . . . . 57 ALA H . 51359 1 104 . 1 . 1 58 58 ALA CA C 13 52.270 0.021 . 1 . . . . . 57 ALA CA . 51359 1 105 . 1 . 1 58 58 ALA CB C 13 19.368 0.014 . 1 . . . . . 57 ALA CB . 51359 1 106 . 1 . 1 58 58 ALA N N 15 125.618 0.020 . 1 . . . . . 57 ALA N . 51359 1 107 . 1 . 1 59 59 SER H H 1 8.460 0.003 . 1 . . . . . 58 SER H . 51359 1 108 . 1 . 1 59 59 SER CA C 13 56.426 0.000 . 1 . . . . . 58 SER CA . 51359 1 109 . 1 . 1 59 59 SER CB C 13 63.146 0.000 . 1 . . . . . 58 SER CB . 51359 1 110 . 1 . 1 59 59 SER N N 15 117.062 0.005 . 1 . . . . . 58 SER N . 51359 1 111 . 1 . 1 61 61 ALA H H 1 8.498 0.002 . 1 . . . . . 60 ALA H . 51359 1 112 . 1 . 1 61 61 ALA CA C 13 52.582 0.008 . 1 . . . . . 60 ALA CA . 51359 1 113 . 1 . 1 61 61 ALA CB C 13 19.149 0.007 . 1 . . . . . 60 ALA CB . 51359 1 114 . 1 . 1 61 61 ALA N N 15 124.064 0.048 . 1 . . . . . 60 ALA N . 51359 1 115 . 1 . 1 62 62 THR H H 1 8.185 0.003 . 1 . . . . . 61 THR H . 51359 1 116 . 1 . 1 62 62 THR CA C 13 61.735 0.022 . 1 . . . . . 61 THR CA . 51359 1 117 . 1 . 1 62 62 THR CB C 13 69.866 0.004 . 1 . . . . . 61 THR CB . 51359 1 118 . 1 . 1 62 62 THR N N 15 113.588 0.018 . 1 . . . . . 61 THR N . 51359 1 119 . 1 . 1 63 63 GLN H H 1 8.442 0.003 . 1 . . . . . 62 GLN H . 51359 1 120 . 1 . 1 63 63 GLN CA C 13 53.438 0.000 . 1 . . . . . 62 GLN CA . 51359 1 121 . 1 . 1 63 63 GLN CB C 13 29.023 0.000 . 1 . . . . . 62 GLN CB . 51359 1 122 . 1 . 1 63 63 GLN N N 15 124.020 0.016 . 1 . . . . . 62 GLN N . 51359 1 123 . 1 . 1 73 73 THR H H 1 8.187 0.001 . 1 . . . . . 72 THR H . 51359 1 124 . 1 . 1 73 73 THR CA C 13 61.470 0.013 . 1 . . . . . 72 THR CA . 51359 1 125 . 1 . 1 73 73 THR CB C 13 69.972 0.003 . 1 . . . . . 72 THR CB . 51359 1 126 . 1 . 1 73 73 THR N N 15 112.251 0.012 . 1 . . . . . 72 THR N . 51359 1 127 . 1 . 1 74 74 GLY H H 1 8.287 0.001 . 1 . . . . . 73 GLY H . 51359 1 128 . 1 . 1 74 74 GLY CA C 13 44.696 0.000 . 1 . . . . . 73 GLY CA . 51359 1 129 . 1 . 1 74 74 GLY N N 15 111.031 0.011 . 1 . . . . . 73 GLY N . 51359 1 130 . 1 . 1 76 76 ASP H H 1 8.490 0.001 . 1 . . . . . 75 ASP H . 51359 1 131 . 1 . 1 76 76 ASP CA C 13 54.218 0.011 . 1 . . . . . 75 ASP CA . 51359 1 132 . 1 . 1 76 76 ASP CB C 13 40.991 0.002 . 1 . . . . . 75 ASP CB . 51359 1 133 . 1 . 1 76 76 ASP N N 15 119.831 0.012 . 1 . . . . . 75 ASP N . 51359 1 134 . 1 . 1 77 77 ALA H H 1 8.269 0.002 . 1 . . . . . 76 ALA H . 51359 1 135 . 1 . 1 77 77 ALA CA C 13 52.665 0.015 . 1 . . . . . 76 ALA CA . 51359 1 136 . 1 . 1 77 77 ALA CB C 13 19.225 0.006 . 1 . . . . . 76 ALA CB . 51359 1 137 . 1 . 1 77 77 ALA N N 15 124.640 0.007 . 1 . . . . . 76 ALA N . 51359 1 138 . 1 . 1 78 78 THR H H 1 8.308 0.001 . 1 . . . . . 77 THR H . 51359 1 139 . 1 . 1 78 78 THR CA C 13 62.262 0.001 . 1 . . . . . 77 THR CA . 51359 1 140 . 1 . 1 78 78 THR CB C 13 69.795 0.003 . 1 . . . . . 77 THR CB . 51359 1 141 . 1 . 1 78 78 THR N N 15 113.700 0.022 . 1 . . . . . 77 THR N . 51359 1 142 . 1 . 1 79 79 VAL H H 1 8.206 0.000 . 1 . . . . . 78 VAL H . 51359 1 143 . 1 . 1 79 79 VAL CA C 13 62.526 0.024 . 1 . . . . . 78 VAL CA . 51359 1 144 . 1 . 1 79 79 VAL CB C 13 32.669 0.026 . 1 . . . . . 78 VAL CB . 51359 1 145 . 1 . 1 79 79 VAL N N 15 122.989 0.013 . 1 . . . . . 78 VAL N . 51359 1 146 . 1 . 1 80 80 GLY H H 1 8.604 0.001 . 1 . . . . . 79 GLY H . 51359 1 147 . 1 . 1 80 80 GLY CA C 13 45.063 0.002 . 1 . . . . . 79 GLY CA . 51359 1 148 . 1 . 1 80 80 GLY N N 15 112.934 0.011 . 1 . . . . . 79 GLY N . 51359 1 149 . 1 . 1 81 81 GLY H H 1 8.169 0.003 . 1 . . . . . 80 GLY H . 51359 1 150 . 1 . 1 81 81 GLY CA C 13 44.378 0.000 . 1 . . . . . 80 GLY CA . 51359 1 151 . 1 . 1 81 81 GLY N N 15 108.796 0.016 . 1 . . . . . 80 GLY N . 51359 1 152 . 1 . 1 83 83 ALA H H 1 8.555 0.005 . 1 . . . . . 82 ALA H . 51359 1 153 . 1 . 1 83 83 ALA CA C 13 50.495 0.000 . 1 . . . . . 82 ALA CA . 51359 1 154 . 1 . 1 83 83 ALA CB C 13 17.930 0.000 . 1 . . . . . 82 ALA CB . 51359 1 155 . 1 . 1 83 83 ALA N N 15 126.130 0.032 . 1 . . . . . 82 ALA N . 51359 1 156 . 1 . 1 85 85 THR H H 1 8.432 0.011 . 1 . . . . . 84 THR H . 51359 1 157 . 1 . 1 85 85 THR CA C 13 59.931 0.000 . 1 . . . . . 84 THR CA . 51359 1 158 . 1 . 1 85 85 THR CB C 13 69.733 0.000 . 1 . . . . . 84 THR CB . 51359 1 159 . 1 . 1 85 85 THR N N 15 117.925 0.131 . 1 . . . . . 84 THR N . 51359 1 160 . 1 . 1 88 88 LEU H H 1 8.329 0.005 . 1 . . . . . 87 LEU H . 51359 1 161 . 1 . 1 88 88 LEU CA C 13 52.546 0.000 . 1 . . . . . 87 LEU CA . 51359 1 162 . 1 . 1 88 88 LEU CB C 13 41.800 0.000 . 1 . . . . . 87 LEU CB . 51359 1 163 . 1 . 1 88 88 LEU N N 15 124.952 0.015 . 1 . . . . . 87 LEU N . 51359 1 164 . 1 . 1 91 91 SER H H 1 8.430 0.002 . 1 . . . . . 90 SER H . 51359 1 165 . 1 . 1 91 91 SER CA C 13 58.297 0.034 . 1 . . . . . 90 SER CA . 51359 1 166 . 1 . 1 91 91 SER CB C 13 63.700 0.008 . 1 . . . . . 90 SER CB . 51359 1 167 . 1 . 1 91 91 SER N N 15 115.614 0.033 . 1 . . . . . 90 SER N . 51359 1 168 . 1 . 1 92 92 ALA H H 1 8.529 0.002 . 1 . . . . . 91 ALA H . 51359 1 169 . 1 . 1 92 92 ALA CA C 13 52.676 0.063 . 1 . . . . . 91 ALA CA . 51359 1 170 . 1 . 1 92 92 ALA CB C 13 19.413 0.029 . 1 . . . . . 91 ALA CB . 51359 1 171 . 1 . 1 92 92 ALA N N 15 126.307 0.006 . 1 . . . . . 91 ALA N . 51359 1 172 . 1 . 1 93 93 THR H H 1 8.147 0.002 . 1 . . . . . 92 THR H . 51359 1 173 . 1 . 1 93 93 THR CA C 13 61.747 0.001 . 1 . . . . . 92 THR CA . 51359 1 174 . 1 . 1 93 93 THR CB C 13 69.703 0.000 . 1 . . . . . 92 THR CB . 51359 1 175 . 1 . 1 93 93 THR N N 15 113.074 0.006 . 1 . . . . . 92 THR N . 51359 1 176 . 1 . 1 94 94 ALA H H 1 8.295 0.001 . 1 . . . . . 93 ALA H . 51359 1 177 . 1 . 1 94 94 ALA CA C 13 52.513 0.008 . 1 . . . . . 93 ALA CA . 51359 1 178 . 1 . 1 94 94 ALA CB C 13 19.327 0.014 . 1 . . . . . 93 ALA CB . 51359 1 179 . 1 . 1 94 94 ALA N N 15 126.661 0.007 . 1 . . . . . 93 ALA N . 51359 1 180 . 1 . 1 95 95 SER H H 1 8.405 0.003 . 1 . . . . . 94 SER H . 51359 1 181 . 1 . 1 95 95 SER CA C 13 58.285 0.000 . 1 . . . . . 94 SER CA . 51359 1 182 . 1 . 1 95 95 SER CB C 13 63.750 0.019 . 1 . . . . . 94 SER CB . 51359 1 183 . 1 . 1 95 95 SER N N 15 115.840 0.016 . 1 . . . . . 94 SER N . 51359 1 184 . 1 . 1 96 96 VAL H H 1 8.270 0.001 . 1 . . . . . 95 VAL H . 51359 1 185 . 1 . 1 96 96 VAL CA C 13 62.300 0.008 . 1 . . . . . 95 VAL CA . 51359 1 186 . 1 . 1 96 96 VAL CB C 13 32.760 0.031 . 1 . . . . . 95 VAL CB . 51359 1 187 . 1 . 1 96 96 VAL N N 15 122.404 0.038 . 1 . . . . . 95 VAL N . 51359 1 188 . 1 . 1 97 97 LYS H H 1 8.073 0.001 . 1 . . . . . 96 LYS H . 51359 1 189 . 1 . 1 97 97 LYS CA C 13 57.718 0.000 . 1 . . . . . 96 LYS CA . 51359 1 190 . 1 . 1 97 97 LYS CB C 13 33.682 0.000 . 1 . . . . . 96 LYS CB . 51359 1 191 . 1 . 1 97 97 LYS N N 15 130.155 0.012 . 1 . . . . . 96 LYS N . 51359 1 stop_ save_