data_51360 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51360 _Entry.Title ; Backbone resonance assignments of the C-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 . . . . 51360 2 Cyril Dominguez . . . . 51360 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51360 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 101 51360 '15N chemical shifts' 53 51360 '1H chemical shifts' 53 51360 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' 51360 1 . . 2022-11-23 2022-03-11 original author 'original release' 51360 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51359 'Sam68 N-terminal domain' 51360 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51360 _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. . . . 51360 1 2 Inara Liepina I. . . . 51360 1 3 Nora Kogelnik N. . . . 51360 1 4 Hollie Watmuff H. . . . 51360 1 5 Sue Robinson S. . . . 51360 1 6 Adam Lightfoot A. . . . 51360 1 7 Oksana Gonchar O. . . . 51360 1 8 Andrew Bottrill A. . . . 51360 1 9 Andrew Fry A. M. . . 51360 1 10 Cyril Dominguez C. . . . 51360 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51360 _Assembly.ID 1 _Assembly.Name 'Sam68 C-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 C-terminal domain' 1 $entity_1 . . yes native no no . . . 51360 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51360 _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 ; GPLGSQFLELSYLNGVPEPS RGRGVPVRGRGAAPPPPPVP RGRGVGPPRGALVRGTPVRG AITRGATVTRGVPPPPTVRG APAPRARTAGIQRIPLPPPP APETYEE ; _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 107 _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 -5 GLY . 51360 1 2 -4 PRO . 51360 1 3 -3 LEU . 51360 1 4 -2 GLY . 51360 1 5 -1 SER . 51360 1 6 267 GLN . 51360 1 7 268 PHE . 51360 1 8 269 LEU . 51360 1 9 270 GLU . 51360 1 10 271 LEU . 51360 1 11 272 SER . 51360 1 12 273 TYR . 51360 1 13 274 LEU . 51360 1 14 275 ASN . 51360 1 15 276 GLY . 51360 1 16 277 VAL . 51360 1 17 278 PRO . 51360 1 18 279 GLU . 51360 1 19 280 PRO . 51360 1 20 281 SER . 51360 1 21 282 ARG . 51360 1 22 283 GLY . 51360 1 23 284 ARG . 51360 1 24 285 GLY . 51360 1 25 286 VAL . 51360 1 26 287 PRO . 51360 1 27 288 VAL . 51360 1 28 289 ARG . 51360 1 29 290 GLY . 51360 1 30 291 ARG . 51360 1 31 292 GLY . 51360 1 32 293 ALA . 51360 1 33 294 ALA . 51360 1 34 295 PRO . 51360 1 35 296 PRO . 51360 1 36 297 PRO . 51360 1 37 298 PRO . 51360 1 38 299 PRO . 51360 1 39 300 VAL . 51360 1 40 301 PRO . 51360 1 41 302 ARG . 51360 1 42 303 GLY . 51360 1 43 304 ARG . 51360 1 44 305 GLY . 51360 1 45 306 VAL . 51360 1 46 307 GLY . 51360 1 47 308 PRO . 51360 1 48 309 PRO . 51360 1 49 310 ARG . 51360 1 50 311 GLY . 51360 1 51 312 ALA . 51360 1 52 313 LEU . 51360 1 53 314 VAL . 51360 1 54 315 ARG . 51360 1 55 316 GLY . 51360 1 56 317 THR . 51360 1 57 318 PRO . 51360 1 58 319 VAL . 51360 1 59 320 ARG . 51360 1 60 321 GLY . 51360 1 61 322 ALA . 51360 1 62 323 ILE . 51360 1 63 324 THR . 51360 1 64 325 ARG . 51360 1 65 326 GLY . 51360 1 66 327 ALA . 51360 1 67 328 THR . 51360 1 68 329 VAL . 51360 1 69 330 THR . 51360 1 70 331 ARG . 51360 1 71 332 GLY . 51360 1 72 333 VAL . 51360 1 73 334 PRO . 51360 1 74 335 PRO . 51360 1 75 336 PRO . 51360 1 76 337 PRO . 51360 1 77 338 THR . 51360 1 78 339 VAL . 51360 1 79 340 ARG . 51360 1 80 341 GLY . 51360 1 81 342 ALA . 51360 1 82 343 PRO . 51360 1 83 344 ALA . 51360 1 84 345 PRO . 51360 1 85 346 ARG . 51360 1 86 347 ALA . 51360 1 87 348 ARG . 51360 1 88 349 THR . 51360 1 89 350 ALA . 51360 1 90 351 GLY . 51360 1 91 352 ILE . 51360 1 92 353 GLN . 51360 1 93 354 ARG . 51360 1 94 355 ILE . 51360 1 95 356 PRO . 51360 1 96 357 LEU . 51360 1 97 358 PRO . 51360 1 98 359 PRO . 51360 1 99 360 PRO . 51360 1 100 361 PRO . 51360 1 101 362 ALA . 51360 1 102 363 PRO . 51360 1 103 364 GLU . 51360 1 104 365 THR . 51360 1 105 366 TYR . 51360 1 106 367 GLU . 51360 1 107 368 GLU . 51360 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51360 1 . PRO 2 2 51360 1 . LEU 3 3 51360 1 . GLY 4 4 51360 1 . SER 5 5 51360 1 . GLN 6 6 51360 1 . PHE 7 7 51360 1 . LEU 8 8 51360 1 . GLU 9 9 51360 1 . LEU 10 10 51360 1 . SER 11 11 51360 1 . TYR 12 12 51360 1 . LEU 13 13 51360 1 . ASN 14 14 51360 1 . GLY 15 15 51360 1 . VAL 16 16 51360 1 . PRO 17 17 51360 1 . GLU 18 18 51360 1 . PRO 19 19 51360 1 . SER 20 20 51360 1 . ARG 21 21 51360 1 . GLY 22 22 51360 1 . ARG 23 23 51360 1 . GLY 24 24 51360 1 . VAL 25 25 51360 1 . PRO 26 26 51360 1 . VAL 27 27 51360 1 . ARG 28 28 51360 1 . GLY 29 29 51360 1 . ARG 30 30 51360 1 . GLY 31 31 51360 1 . ALA 32 32 51360 1 . ALA 33 33 51360 1 . PRO 34 34 51360 1 . PRO 35 35 51360 1 . PRO 36 36 51360 1 . PRO 37 37 51360 1 . PRO 38 38 51360 1 . VAL 39 39 51360 1 . PRO 40 40 51360 1 . ARG 41 41 51360 1 . GLY 42 42 51360 1 . ARG 43 43 51360 1 . GLY 44 44 51360 1 . VAL 45 45 51360 1 . GLY 46 46 51360 1 . PRO 47 47 51360 1 . PRO 48 48 51360 1 . ARG 49 49 51360 1 . GLY 50 50 51360 1 . ALA 51 51 51360 1 . LEU 52 52 51360 1 . VAL 53 53 51360 1 . ARG 54 54 51360 1 . GLY 55 55 51360 1 . THR 56 56 51360 1 . PRO 57 57 51360 1 . VAL 58 58 51360 1 . ARG 59 59 51360 1 . GLY 60 60 51360 1 . ALA 61 61 51360 1 . ILE 62 62 51360 1 . THR 63 63 51360 1 . ARG 64 64 51360 1 . GLY 65 65 51360 1 . ALA 66 66 51360 1 . THR 67 67 51360 1 . VAL 68 68 51360 1 . THR 69 69 51360 1 . ARG 70 70 51360 1 . GLY 71 71 51360 1 . VAL 72 72 51360 1 . PRO 73 73 51360 1 . PRO 74 74 51360 1 . PRO 75 75 51360 1 . PRO 76 76 51360 1 . THR 77 77 51360 1 . VAL 78 78 51360 1 . ARG 79 79 51360 1 . GLY 80 80 51360 1 . ALA 81 81 51360 1 . PRO 82 82 51360 1 . ALA 83 83 51360 1 . PRO 84 84 51360 1 . ARG 85 85 51360 1 . ALA 86 86 51360 1 . ARG 87 87 51360 1 . THR 88 88 51360 1 . ALA 89 89 51360 1 . GLY 90 90 51360 1 . ILE 91 91 51360 1 . GLN 92 92 51360 1 . ARG 93 93 51360 1 . ILE 94 94 51360 1 . PRO 95 95 51360 1 . LEU 96 96 51360 1 . PRO 97 97 51360 1 . PRO 98 98 51360 1 . PRO 99 99 51360 1 . PRO 100 100 51360 1 . ALA 101 101 51360 1 . PRO 102 102 51360 1 . GLU 103 103 51360 1 . THR 104 104 51360 1 . TYR 105 105 51360 1 . GLU 106 106 51360 1 . GLU 107 107 51360 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 51360 _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 . . . . . . . . . . . . . 51360 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 51360 _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 . . pGEX-6P-2 . . . 51360 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51360 _Sample.ID 1 _Sample.Name 'Sam68 C-terminal domain' _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 'C-terminal domain of Sam68' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51360 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 51360 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sam68 C-terminal domain' _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 51360 1 pH 7.0 . pH 51360 1 pressure 1 . atm 51360 1 temperature 278 . K 51360 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51360 _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' . 51360 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 51360 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _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 51360 _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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51360 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51360 1 3 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51360 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 51360 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Sam68 C-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 . . . . . 51360 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51360 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51360 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 51360 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Sam68 C-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' . . . 51360 1 2 '3D CBCACONH' . . . 51360 1 3 '3D CBCANH' . . . 51360 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 . . 51360 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 LEU H H 1 8.679 0.001 . 1 . . . . . -3 LEU H . 51360 1 2 . 1 . 1 3 3 LEU CA C 13 55.442 0.020 . 1 . . . . . -3 LEU CA . 51360 1 3 . 1 . 1 3 3 LEU CB C 13 42.340 0.033 . 1 . . . . . -3 LEU CB . 51360 1 4 . 1 . 1 3 3 LEU N N 15 122.711 0.018 . 1 . . . . . -3 LEU N . 51360 1 5 . 1 . 1 4 4 GLY H H 1 8.559 0.002 . 1 . . . . . -2 GLY H . 51360 1 6 . 1 . 1 4 4 GLY CA C 13 45.301 0.008 . 1 . . . . . -2 GLY CA . 51360 1 7 . 1 . 1 4 4 GLY N N 15 110.034 0.033 . 1 . . . . . -2 GLY N . 51360 1 8 . 1 . 1 5 5 SER H H 1 8.388 0.001 . 1 . . . . . -1 SER H . 51360 1 9 . 1 . 1 5 5 SER CA C 13 58.809 0.019 . 1 . . . . . -1 SER CA . 51360 1 10 . 1 . 1 5 5 SER CB C 13 63.697 0.066 . 1 . . . . . -1 SER CB . 51360 1 11 . 1 . 1 5 5 SER N N 15 115.987 0.028 . 1 . . . . . -1 SER N . 51360 1 12 . 1 . 1 6 6 GLN H H 1 8.645 0.001 . 1 . . . . . 267 GLN H . 51360 1 13 . 1 . 1 6 6 GLN CA C 13 56.311 0.007 . 1 . . . . . 267 GLN CA . 51360 1 14 . 1 . 1 6 6 GLN CB C 13 29.061 0.044 . 1 . . . . . 267 GLN CB . 51360 1 15 . 1 . 1 6 6 GLN N N 15 122.211 0.005 . 1 . . . . . 267 GLN N . 51360 1 16 . 1 . 1 7 7 PHE H H 1 8.209 0.001 . 1 . . . . . 268 PHE H . 51360 1 17 . 1 . 1 7 7 PHE CA C 13 57.972 0.005 . 1 . . . . . 268 PHE CA . 51360 1 18 . 1 . 1 7 7 PHE CB C 13 39.308 0.058 . 1 . . . . . 268 PHE CB . 51360 1 19 . 1 . 1 7 7 PHE N N 15 120.547 0.036 . 1 . . . . . 268 PHE N . 51360 1 20 . 1 . 1 8 8 LEU H H 1 8.103 0.001 . 1 . . . . . 269 LEU H . 51360 1 21 . 1 . 1 8 8 LEU CA C 13 55.232 0.001 . 1 . . . . . 269 LEU CA . 51360 1 22 . 1 . 1 8 8 LEU CB C 13 42.556 0.022 . 1 . . . . . 269 LEU CB . 51360 1 23 . 1 . 1 8 8 LEU N N 15 123.509 0.025 . 1 . . . . . 269 LEU N . 51360 1 24 . 1 . 1 9 9 GLU H H 1 8.398 0.001 . 1 . . . . . 270 GLU H . 51360 1 25 . 1 . 1 9 9 GLU CA C 13 56.715 0.016 . 1 . . . . . 270 GLU CA . 51360 1 26 . 1 . 1 9 9 GLU CB C 13 29.990 0.017 . 1 . . . . . 270 GLU CB . 51360 1 27 . 1 . 1 9 9 GLU N N 15 121.808 0.037 . 1 . . . . . 270 GLU N . 51360 1 28 . 1 . 1 10 10 LEU H H 1 8.324 0.002 . 1 . . . . . 271 LEU H . 51360 1 29 . 1 . 1 10 10 LEU CA C 13 55.419 0.013 . 1 . . . . . 271 LEU CA . 51360 1 30 . 1 . 1 10 10 LEU CB C 13 42.074 0.032 . 1 . . . . . 271 LEU CB . 51360 1 31 . 1 . 1 10 10 LEU N N 15 122.942 0.019 . 1 . . . . . 271 LEU N . 51360 1 32 . 1 . 1 11 11 SER H H 1 8.301 0.001 . 1 . . . . . 272 SER H . 51360 1 33 . 1 . 1 11 11 SER CA C 13 58.716 0.022 . 1 . . . . . 272 SER CA . 51360 1 34 . 1 . 1 11 11 SER CB C 13 63.668 0.015 . 1 . . . . . 272 SER CB . 51360 1 35 . 1 . 1 11 11 SER N N 15 116.181 0.022 . 1 . . . . . 272 SER N . 51360 1 36 . 1 . 1 12 12 TYR H H 1 8.196 0.001 . 1 . . . . . 273 TYR H . 51360 1 37 . 1 . 1 12 12 TYR CA C 13 57.963 0.047 . 1 . . . . . 273 TYR CA . 51360 1 38 . 1 . 1 12 12 TYR CB C 13 38.637 0.017 . 1 . . . . . 273 TYR CB . 51360 1 39 . 1 . 1 12 12 TYR N N 15 121.903 0.017 . 1 . . . . . 273 TYR N . 51360 1 40 . 1 . 1 13 13 LEU H H 1 8.177 0.002 . 1 . . . . . 274 LEU H . 51360 1 41 . 1 . 1 13 13 LEU CA C 13 55.423 0.007 . 1 . . . . . 274 LEU CA . 51360 1 42 . 1 . 1 13 13 LEU CB C 13 42.192 0.069 . 1 . . . . . 274 LEU CB . 51360 1 43 . 1 . 1 13 13 LEU N N 15 122.961 0.041 . 1 . . . . . 274 LEU N . 51360 1 44 . 1 . 1 14 14 ASN H H 1 8.507 0.002 . 1 . . . . . 275 ASN H . 51360 1 45 . 1 . 1 14 14 ASN CA C 13 53.482 0.025 . 1 . . . . . 275 ASN CA . 51360 1 46 . 1 . 1 14 14 ASN CB C 13 38.665 0.015 . 1 . . . . . 275 ASN CB . 51360 1 47 . 1 . 1 14 14 ASN N N 15 118.946 0.010 . 1 . . . . . 275 ASN N . 51360 1 48 . 1 . 1 15 15 GLY H H 1 8.292 0.001 . 1 . . . . . 276 GLY H . 51360 1 49 . 1 . 1 15 15 GLY CA C 13 45.218 0.003 . 1 . . . . . 276 GLY CA . 51360 1 50 . 1 . 1 15 15 GLY N N 15 108.173 0.017 . 1 . . . . . 276 GLY N . 51360 1 51 . 1 . 1 16 16 VAL H H 1 8.008 0.001 . 1 . . . . . 277 VAL H . 51360 1 52 . 1 . 1 16 16 VAL CA C 13 59.763 0.000 . 1 . . . . . 277 VAL CA . 51360 1 53 . 1 . 1 16 16 VAL CB C 13 32.736 0.000 . 1 . . . . . 277 VAL CB . 51360 1 54 . 1 . 1 16 16 VAL N N 15 121.201 0.009 . 1 . . . . . 277 VAL N . 51360 1 55 . 1 . 1 20 20 SER H H 1 8.576 0.003 . 1 . . . . . 281 SER H . 51360 1 56 . 1 . 1 20 20 SER CA C 13 58.680 0.010 . 1 . . . . . 281 SER CA . 51360 1 57 . 1 . 1 20 20 SER CB C 13 63.666 0.016 . 1 . . . . . 281 SER CB . 51360 1 58 . 1 . 1 20 20 SER N N 15 116.223 0.023 . 1 . . . . . 281 SER N . 51360 1 59 . 1 . 1 21 21 ARG H H 1 8.516 0.005 . 1 . . . . . 282 ARG H . 51360 1 60 . 1 . 1 21 21 ARG CA C 13 56.257 0.022 . 1 . . . . . 282 ARG CA . 51360 1 61 . 1 . 1 21 21 ARG CB C 13 30.727 0.011 . 1 . . . . . 282 ARG CB . 51360 1 62 . 1 . 1 21 21 ARG N N 15 123.191 0.019 . 1 . . . . . 282 ARG N . 51360 1 63 . 1 . 1 22 22 GLY H H 1 8.526 0.004 . 1 . . . . . 283 GLY H . 51360 1 64 . 1 . 1 22 22 GLY CA C 13 45.285 0.014 . 1 . . . . . 283 GLY CA . 51360 1 65 . 1 . 1 22 22 GLY N N 15 109.912 0.037 . 1 . . . . . 283 GLY N . 51360 1 66 . 1 . 1 23 23 ARG H H 1 8.414 0.002 . 1 . . . . . 284 ARG H . 51360 1 67 . 1 . 1 23 23 ARG CA C 13 56.218 0.000 . 1 . . . . . 284 ARG CA . 51360 1 68 . 1 . 1 23 23 ARG CB C 13 30.755 0.000 . 1 . . . . . 284 ARG CB . 51360 1 69 . 1 . 1 23 23 ARG N N 15 120.669 0.018 . 1 . . . . . 284 ARG N . 51360 1 70 . 1 . 1 27 27 VAL H H 1 8.452 0.002 . 1 . . . . . 288 VAL H . 51360 1 71 . 1 . 1 27 27 VAL CA C 13 62.522 0.000 . 1 . . . . . 288 VAL CA . 51360 1 72 . 1 . 1 27 27 VAL CB C 13 32.639 0.000 . 1 . . . . . 288 VAL CB . 51360 1 73 . 1 . 1 27 27 VAL N N 15 121.657 0.013 . 1 . . . . . 288 VAL N . 51360 1 74 . 1 . 1 32 32 ALA H H 1 8.240 0.001 . 1 . . . . . 293 ALA H . 51360 1 75 . 1 . 1 32 32 ALA CA C 13 52.055 0.031 . 1 . . . . . 293 ALA CA . 51360 1 76 . 1 . 1 32 32 ALA CB C 13 19.452 0.000 . 1 . . . . . 293 ALA CB . 51360 1 77 . 1 . 1 32 32 ALA N N 15 123.912 0.022 . 1 . . . . . 293 ALA N . 51360 1 78 . 1 . 1 33 33 ALA H H 1 8.451 0.001 . 1 . . . . . 294 ALA H . 51360 1 79 . 1 . 1 33 33 ALA CA C 13 50.444 0.000 . 1 . . . . . 294 ALA CA . 51360 1 80 . 1 . 1 33 33 ALA CB C 13 17.992 0.000 . 1 . . . . . 294 ALA CB . 51360 1 81 . 1 . 1 33 33 ALA N N 15 125.440 0.009 . 1 . . . . . 294 ALA N . 51360 1 82 . 1 . 1 39 39 VAL H H 1 8.369 0.001 . 1 . . . . . 300 VAL H . 51360 1 83 . 1 . 1 39 39 VAL CA C 13 59.918 0.000 . 1 . . . . . 300 VAL CA . 51360 1 84 . 1 . 1 39 39 VAL CB C 13 32.488 0.000 . 1 . . . . . 300 VAL CB . 51360 1 85 . 1 . 1 39 39 VAL N N 15 122.379 0.083 . 1 . . . . . 300 VAL N . 51360 1 86 . 1 . 1 45 45 VAL H H 1 8.137 0.001 . 1 . . . . . 306 VAL H . 51360 1 87 . 1 . 1 45 45 VAL CA C 13 62.070 0.012 . 1 . . . . . 306 VAL CA . 51360 1 88 . 1 . 1 45 45 VAL CB C 13 32.795 0.002 . 1 . . . . . 306 VAL CB . 51360 1 89 . 1 . 1 45 45 VAL N N 15 118.829 0.017 . 1 . . . . . 306 VAL N . 51360 1 90 . 1 . 1 46 46 GLY H H 1 8.498 0.003 . 1 . . . . . 307 GLY H . 51360 1 91 . 1 . 1 46 46 GLY CA C 13 44.384 0.000 . 1 . . . . . 307 GLY CA . 51360 1 92 . 1 . 1 46 46 GLY N N 15 112.954 0.014 . 1 . . . . . 307 GLY N . 51360 1 93 . 1 . 1 52 52 LEU H H 1 8.363 0.003 . 1 . . . . . 313 LEU H . 51360 1 94 . 1 . 1 52 52 LEU CA C 13 55.119 0.023 . 1 . . . . . 313 LEU CA . 51360 1 95 . 1 . 1 52 52 LEU CB C 13 42.306 0.046 . 1 . . . . . 313 LEU CB . 51360 1 96 . 1 . 1 52 52 LEU N N 15 121.524 0.067 . 1 . . . . . 313 LEU N . 51360 1 97 . 1 . 1 53 53 VAL H H 1 8.271 0.013 . 1 . . . . . 314 VAL H . 51360 1 98 . 1 . 1 53 53 VAL CA C 13 62.260 0.008 . 1 . . . . . 314 VAL CA . 51360 1 99 . 1 . 1 53 53 VAL CB C 13 32.739 0.035 . 1 . . . . . 314 VAL CB . 51360 1 100 . 1 . 1 53 53 VAL N N 15 122.638 0.030 . 1 . . . . . 314 VAL N . 51360 1 101 . 1 . 1 54 54 ARG H H 1 8.680 0.003 . 1 . . . . . 315 ARG H . 51360 1 102 . 1 . 1 54 54 ARG CA C 13 56.343 0.000 . 1 . . . . . 315 ARG CA . 51360 1 103 . 1 . 1 54 54 ARG CB C 13 30.751 0.000 . 1 . . . . . 315 ARG CB . 51360 1 104 . 1 . 1 54 54 ARG N N 15 126.390 0.025 . 1 . . . . . 315 ARG N . 51360 1 105 . 1 . 1 56 56 THR H H 1 8.361 0.291 . 1 . . . . . 317 THR H . 51360 1 106 . 1 . 1 56 56 THR CA C 13 60.020 0.000 . 1 . . . . . 317 THR CA . 51360 1 107 . 1 . 1 56 56 THR CB C 13 69.790 0.000 . 1 . . . . . 317 THR CB . 51360 1 108 . 1 . 1 56 56 THR N N 15 117.757 1.400 . 1 . . . . . 317 THR N . 51360 1 109 . 1 . 1 58 58 VAL H H 1 8.465 0.012 . 1 . . . . . 319 VAL H . 51360 1 110 . 1 . 1 58 58 VAL CA C 13 62.509 0.000 . 1 . . . . . 319 VAL CA . 51360 1 111 . 1 . 1 58 58 VAL CB C 13 32.489 0.000 . 1 . . . . . 319 VAL CB . 51360 1 112 . 1 . 1 58 58 VAL N N 15 121.863 0.064 . 1 . . . . . 319 VAL N . 51360 1 113 . 1 . 1 62 62 ILE H H 1 8.388 0.006 . 1 . . . . . 323 ILE H . 51360 1 114 . 1 . 1 62 62 ILE CA C 13 61.081 0.001 . 1 . . . . . 323 ILE CA . 51360 1 115 . 1 . 1 62 62 ILE CB C 13 38.662 0.034 . 1 . . . . . 323 ILE CB . 51360 1 116 . 1 . 1 62 62 ILE N N 15 120.917 0.036 . 1 . . . . . 323 ILE N . 51360 1 117 . 1 . 1 63 63 THR H H 1 8.402 0.005 . 1 . . . . . 324 THR H . 51360 1 118 . 1 . 1 63 63 THR CA C 13 61.770 0.000 . 1 . . . . . 324 THR CA . 51360 1 119 . 1 . 1 63 63 THR CB C 13 69.818 0.000 . 1 . . . . . 324 THR CB . 51360 1 120 . 1 . 1 63 63 THR N N 15 119.793 0.051 . 1 . . . . . 324 THR N . 51360 1 121 . 1 . 1 67 67 THR H H 1 8.392 0.002 . 1 . . . . . 328 THR H . 51360 1 122 . 1 . 1 67 67 THR CA C 13 62.128 0.010 . 1 . . . . . 328 THR CA . 51360 1 123 . 1 . 1 67 67 THR CB C 13 69.812 0.036 . 1 . . . . . 328 THR CB . 51360 1 124 . 1 . 1 67 67 THR N N 15 115.028 0.020 . 1 . . . . . 328 THR N . 51360 1 125 . 1 . 1 68 68 VAL H H 1 8.404 0.001 . 1 . . . . . 329 VAL H . 51360 1 126 . 1 . 1 68 68 VAL CA C 13 62.175 0.075 . 1 . . . . . 329 VAL CA . 51360 1 127 . 1 . 1 68 68 VAL CB C 13 32.836 0.070 . 1 . . . . . 329 VAL CB . 51360 1 128 . 1 . 1 68 68 VAL N N 15 124.069 0.020 . 1 . . . . . 329 VAL N . 51360 1 129 . 1 . 1 69 69 THR H H 1 8.472 0.002 . 1 . . . . . 330 THR H . 51360 1 130 . 1 . 1 69 69 THR CA C 13 61.851 0.065 . 1 . . . . . 330 THR CA . 51360 1 131 . 1 . 1 69 69 THR CB C 13 69.750 0.004 . 1 . . . . . 330 THR CB . 51360 1 132 . 1 . 1 69 69 THR N N 15 119.956 0.042 . 1 . . . . . 330 THR N . 51360 1 133 . 1 . 1 70 70 ARG H H 1 8.590 0.004 . 1 . . . . . 331 ARG H . 51360 1 134 . 1 . 1 70 70 ARG CA C 13 56.226 0.000 . 1 . . . . . 331 ARG CA . 51360 1 135 . 1 . 1 70 70 ARG CB C 13 30.882 0.000 . 1 . . . . . 331 ARG CB . 51360 1 136 . 1 . 1 70 70 ARG N N 15 124.669 0.020 . 1 . . . . . 331 ARG N . 51360 1 137 . 1 . 1 77 77 THR H H 1 8.411 0.002 . 1 . . . . . 338 THR H . 51360 1 138 . 1 . 1 77 77 THR CA C 13 62.078 0.000 . 1 . . . . . 338 THR CA . 51360 1 139 . 1 . 1 77 77 THR CB C 13 69.937 0.000 . 1 . . . . . 338 THR CB . 51360 1 140 . 1 . 1 77 77 THR N N 15 115.838 0.009 . 1 . . . . . 338 THR N . 51360 1 141 . 1 . 1 81 81 ALA H H 1 8.245 0.001 . 1 . . . . . 342 ALA H . 51360 1 142 . 1 . 1 81 81 ALA CA C 13 50.459 0.000 . 1 . . . . . 342 ALA CA . 51360 1 143 . 1 . 1 81 81 ALA CB C 13 18.218 0.000 . 1 . . . . . 342 ALA CB . 51360 1 144 . 1 . 1 81 81 ALA N N 15 125.108 0.009 . 1 . . . . . 342 ALA N . 51360 1 145 . 1 . 1 85 85 ARG H H 1 8.569 0.002 . 1 . . . . . 346 ARG H . 51360 1 146 . 1 . 1 85 85 ARG CA C 13 55.929 0.014 . 1 . . . . . 346 ARG CA . 51360 1 147 . 1 . 1 85 85 ARG CB C 13 30.882 0.010 . 1 . . . . . 346 ARG CB . 51360 1 148 . 1 . 1 85 85 ARG N N 15 122.026 0.021 . 1 . . . . . 346 ARG N . 51360 1 149 . 1 . 1 86 86 ALA H H 1 8.540 0.002 . 1 . . . . . 347 ALA H . 51360 1 150 . 1 . 1 86 86 ALA CA C 13 52.427 0.002 . 1 . . . . . 347 ALA CA . 51360 1 151 . 1 . 1 86 86 ALA CB C 13 19.298 0.039 . 1 . . . . . 347 ALA CB . 51360 1 152 . 1 . 1 86 86 ALA N N 15 126.157 0.017 . 1 . . . . . 347 ALA N . 51360 1 153 . 1 . 1 87 87 ARG H H 1 8.603 0.002 . 1 . . . . . 348 ARG H . 51360 1 154 . 1 . 1 87 87 ARG CA C 13 56.189 0.027 . 1 . . . . . 348 ARG CA . 51360 1 155 . 1 . 1 87 87 ARG CB C 13 30.868 0.005 . 1 . . . . . 348 ARG CB . 51360 1 156 . 1 . 1 87 87 ARG N N 15 121.368 0.032 . 1 . . . . . 348 ARG N . 51360 1 157 . 1 . 1 88 88 THR H H 1 8.322 0.001 . 1 . . . . . 349 THR H . 51360 1 158 . 1 . 1 88 88 THR CA C 13 61.716 0.004 . 1 . . . . . 349 THR CA . 51360 1 159 . 1 . 1 88 88 THR CB C 13 69.836 0.012 . 1 . . . . . 349 THR CB . 51360 1 160 . 1 . 1 88 88 THR N N 15 115.859 0.018 . 1 . . . . . 349 THR N . 51360 1 161 . 1 . 1 89 89 ALA H H 1 8.493 0.002 . 1 . . . . . 350 ALA H . 51360 1 162 . 1 . 1 89 89 ALA CA C 13 52.629 0.024 . 1 . . . . . 350 ALA CA . 51360 1 163 . 1 . 1 89 89 ALA CB C 13 19.427 0.005 . 1 . . . . . 350 ALA CB . 51360 1 164 . 1 . 1 89 89 ALA N N 15 126.849 0.020 . 1 . . . . . 350 ALA N . 51360 1 165 . 1 . 1 90 90 GLY H H 1 8.487 0.004 . 1 . . . . . 351 GLY H . 51360 1 166 . 1 . 1 90 90 GLY CA C 13 45.086 0.008 . 1 . . . . . 351 GLY CA . 51360 1 167 . 1 . 1 90 90 GLY N N 15 108.627 0.012 . 1 . . . . . 351 GLY N . 51360 1 168 . 1 . 1 91 91 ILE H H 1 8.153 0.001 . 1 . . . . . 352 ILE H . 51360 1 169 . 1 . 1 91 91 ILE CA C 13 61.085 0.030 . 1 . . . . . 352 ILE CA . 51360 1 170 . 1 . 1 91 91 ILE CB C 13 38.735 0.027 . 1 . . . . . 352 ILE CB . 51360 1 171 . 1 . 1 91 91 ILE N N 15 120.485 0.016 . 1 . . . . . 352 ILE N . 51360 1 172 . 1 . 1 92 92 GLN H H 1 8.639 0.002 . 1 . . . . . 353 GLN H . 51360 1 173 . 1 . 1 92 92 GLN CA C 13 55.473 0.029 . 1 . . . . . 353 GLN CA . 51360 1 174 . 1 . 1 92 92 GLN CB C 13 29.475 0.015 . 1 . . . . . 353 GLN CB . 51360 1 175 . 1 . 1 92 92 GLN N N 15 125.410 0.031 . 1 . . . . . 353 GLN N . 51360 1 176 . 1 . 1 93 93 ARG H H 1 8.580 0.002 . 1 . . . . . 354 ARG H . 51360 1 177 . 1 . 1 93 93 ARG CA C 13 55.989 0.028 . 1 . . . . . 354 ARG CA . 51360 1 178 . 1 . 1 93 93 ARG CB C 13 30.843 0.057 . 1 . . . . . 354 ARG CB . 51360 1 179 . 1 . 1 93 93 ARG N N 15 123.938 0.017 . 1 . . . . . 354 ARG N . 51360 1 180 . 1 . 1 94 94 ILE H H 1 8.403 0.002 . 1 . . . . . 355 ILE H . 51360 1 181 . 1 . 1 94 94 ILE CA C 13 58.596 0.000 . 1 . . . . . 355 ILE CA . 51360 1 182 . 1 . 1 94 94 ILE CB C 13 38.578 0.000 . 1 . . . . . 355 ILE CB . 51360 1 183 . 1 . 1 94 94 ILE N N 15 124.626 0.026 . 1 . . . . . 355 ILE N . 51360 1 184 . 1 . 1 96 96 LEU H H 1 8.434 0.002 . 1 . . . . . 357 LEU H . 51360 1 185 . 1 . 1 96 96 LEU CA C 13 52.966 0.000 . 1 . . . . . 357 LEU CA . 51360 1 186 . 1 . 1 96 96 LEU CB C 13 41.610 0.000 . 1 . . . . . 357 LEU CB . 51360 1 187 . 1 . 1 96 96 LEU N N 15 124.223 0.018 . 1 . . . . . 357 LEU N . 51360 1 188 . 1 . 1 103 103 GLU H H 1 8.715 0.001 . 1 . . . . . 364 GLU H . 51360 1 189 . 1 . 1 103 103 GLU CA C 13 56.695 0.018 . 1 . . . . . 364 GLU CA . 51360 1 190 . 1 . 1 103 103 GLU CB C 13 30.085 0.002 . 1 . . . . . 364 GLU CB . 51360 1 191 . 1 . 1 103 103 GLU N N 15 121.151 0.006 . 1 . . . . . 364 GLU N . 51360 1 192 . 1 . 1 104 104 THR H H 1 8.213 0.001 . 1 . . . . . 365 THR H . 51360 1 193 . 1 . 1 104 104 THR CA C 13 61.523 0.004 . 1 . . . . . 365 THR CA . 51360 1 194 . 1 . 1 104 104 THR CB C 13 70.087 0.044 . 1 . . . . . 365 THR CB . 51360 1 195 . 1 . 1 104 104 THR N N 15 114.936 0.012 . 1 . . . . . 365 THR N . 51360 1 196 . 1 . 1 105 105 TYR H H 1 8.357 0.001 . 1 . . . . . 366 TYR H . 51360 1 197 . 1 . 1 105 105 TYR CA C 13 57.678 0.012 . 1 . . . . . 366 TYR CA . 51360 1 198 . 1 . 1 105 105 TYR CB C 13 39.013 0.011 . 1 . . . . . 366 TYR CB . 51360 1 199 . 1 . 1 105 105 TYR N N 15 122.726 0.021 . 1 . . . . . 366 TYR N . 51360 1 200 . 1 . 1 106 106 GLU H H 1 8.342 0.001 . 1 . . . . . 367 GLU H . 51360 1 201 . 1 . 1 106 106 GLU CA C 13 56.045 0.008 . 1 . . . . . 367 GLU CA . 51360 1 202 . 1 . 1 106 106 GLU CB C 13 30.807 0.019 . 1 . . . . . 367 GLU CB . 51360 1 203 . 1 . 1 106 106 GLU N N 15 123.833 0.023 . 1 . . . . . 367 GLU N . 51360 1 204 . 1 . 1 107 107 GLU H H 1 8.139 0.001 . 1 . . . . . 368 GLU H . 51360 1 205 . 1 . 1 107 107 GLU CA C 13 58.083 0.000 . 1 . . . . . 368 GLU CA . 51360 1 206 . 1 . 1 107 107 GLU CB C 13 31.027 0.000 . 1 . . . . . 368 GLU CB . 51360 1 207 . 1 . 1 107 107 GLU N N 15 127.677 0.008 . 1 . . . . . 368 GLU N . 51360 1 stop_ save_