data_27145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27145 _Entry.Title ; Backbone 1H, 13C, 15N assignments for the chromoshadow domain of S. pombe Swi6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-17 _Entry.Accession_date 2017-06-17 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 John Gross . D. . . 27145 2 Serena Sanulli . . . . 27145 3 Ryan Tibble . W. . . 27145 4 'R Stefan' Isaac . . . . 27145 5 Geeta Narlikar . J. . . 27145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 106 27145 '15N chemical shifts' 55 27145 '1H chemical shifts' 55 27145 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 . . 2017-09-29 . original BMRB . 27145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1E0B 'S. pombe Swi6 chromoshadow domain' 27145 PDB 1S4Z 'HP1 chromoshadow with CAF-1 peptide' 27145 PDB 3I3C 'CBX5 chromoshadow' 27145 PDB 3KUP 'CBX3 chromoshadow' 27145 PDB 3P7J 'Drosophila HP1a chromoshadow' 27145 PDB 3Q6S 'HP1 beta with Shugoshin Peptide' 27145 PDB 5T1G 'CBX1 with histone peptide' 27145 PDB 5T1I 'CBX3 chromoshadow with histone H3 peptide' 27145 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28942089 _Citation.Full_citation . _Citation.Title ; Biochemical basis for distinct roles of the heterochromatin proteins Swi6 and Chp2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 30449 _Citation.Page_last 30449 _Citation.Year 2017 _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 R. 'Stefan Isaac' R. . . . 27145 1 2 Serena Sanulli S. . . . 27145 1 3 Ryan Tibble R. . . . 27145 1 4 Michael Hornsby M. . . . 27145 1 5 Matthew Ravalin M. . . . 27145 1 6 Charles Craik C. S. . . 27145 1 7 John Gross J. D. . . 27145 1 8 Geeta Narlikar G. J. . . 27145 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'S. pombe' 27145 1 'analytical ultracentrifugation' 27145 1 heterochromatin 27145 1 'nuclear magnetic resonance' 27145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27145 _Assembly.ID 1 _Assembly.Name 'chromatin-associated protein swi6' _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 37293 _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 'chromatin-associated portein swi6' 1 $Swi6 A . yes native no no 1 . . 27145 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1e0b . . X-ray 1.9 'Crystal structure of Swi6 CSD' . 27145 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'epigenetic repression' 27145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Swi6 _Entity.Sf_category entity _Entity.Sf_framecode Swi6 _Entity.Entry_ID 27145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Swi6 _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 ; GKQVENYDSWEDLVSSIDTI ERKDDGTLEIYLTWKNGAIS HHPSTITNKKCPQKMLQFYE SHLTFRENE ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'chromoshadow domain' _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_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 . yes UNP P40381 . 'chromatin-associated protein swi6' . . . . . . . . . . . . . . 27145 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Recognizes and binds histone 3 (H3) tail when Lys9 (K9) is trimethylated, leading to epigenetic repression.' 27145 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 1 260 GLY . 27145 1 2 261 LYS . 27145 1 3 262 GLN . 27145 1 4 263 VAL . 27145 1 5 264 GLU . 27145 1 6 265 ASN . 27145 1 7 266 TYR . 27145 1 8 267 ASP . 27145 1 9 268 SER . 27145 1 10 269 TRP . 27145 1 11 270 GLU . 27145 1 12 271 ASP . 27145 1 13 272 LEU . 27145 1 14 273 VAL . 27145 1 15 274 SER . 27145 1 16 275 SER . 27145 1 17 276 ILE . 27145 1 18 277 ASP . 27145 1 19 278 THR . 27145 1 20 279 ILE . 27145 1 21 280 GLU . 27145 1 22 281 ARG . 27145 1 23 282 LYS . 27145 1 24 283 ASP . 27145 1 25 284 ASP . 27145 1 26 285 GLY . 27145 1 27 286 THR . 27145 1 28 287 LEU . 27145 1 29 288 GLU . 27145 1 30 289 ILE . 27145 1 31 290 TYR . 27145 1 32 291 LEU . 27145 1 33 292 THR . 27145 1 34 293 TRP . 27145 1 35 294 LYS . 27145 1 36 295 ASN . 27145 1 37 296 GLY . 27145 1 38 297 ALA . 27145 1 39 298 ILE . 27145 1 40 299 SER . 27145 1 41 300 HIS . 27145 1 42 301 HIS . 27145 1 43 302 PRO . 27145 1 44 303 SER . 27145 1 45 304 THR . 27145 1 46 305 ILE . 27145 1 47 306 THR . 27145 1 48 307 ASN . 27145 1 49 308 LYS . 27145 1 50 309 LYS . 27145 1 51 310 CYS . 27145 1 52 311 PRO . 27145 1 53 312 GLN . 27145 1 54 313 LYS . 27145 1 55 314 MET . 27145 1 56 315 LEU . 27145 1 57 316 GLN . 27145 1 58 317 PHE . 27145 1 59 318 TYR . 27145 1 60 319 GLU . 27145 1 61 320 SER . 27145 1 62 321 HIS . 27145 1 63 322 LEU . 27145 1 64 323 THR . 27145 1 65 324 PHE . 27145 1 66 325 ARG . 27145 1 67 326 GLU . 27145 1 68 327 ASN . 27145 1 69 328 GLU . 27145 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 27145 1 . LYS 2 2 27145 1 . GLN 3 3 27145 1 . VAL 4 4 27145 1 . GLU 5 5 27145 1 . ASN 6 6 27145 1 . TYR 7 7 27145 1 . ASP 8 8 27145 1 . SER 9 9 27145 1 . TRP 10 10 27145 1 . GLU 11 11 27145 1 . ASP 12 12 27145 1 . LEU 13 13 27145 1 . VAL 14 14 27145 1 . SER 15 15 27145 1 . SER 16 16 27145 1 . ILE 17 17 27145 1 . ASP 18 18 27145 1 . THR 19 19 27145 1 . ILE 20 20 27145 1 . GLU 21 21 27145 1 . ARG 22 22 27145 1 . LYS 23 23 27145 1 . ASP 24 24 27145 1 . ASP 25 25 27145 1 . GLY 26 26 27145 1 . THR 27 27 27145 1 . LEU 28 28 27145 1 . GLU 29 29 27145 1 . ILE 30 30 27145 1 . TYR 31 31 27145 1 . LEU 32 32 27145 1 . THR 33 33 27145 1 . TRP 34 34 27145 1 . LYS 35 35 27145 1 . ASN 36 36 27145 1 . GLY 37 37 27145 1 . ALA 38 38 27145 1 . ILE 39 39 27145 1 . SER 40 40 27145 1 . HIS 41 41 27145 1 . HIS 42 42 27145 1 . PRO 43 43 27145 1 . SER 44 44 27145 1 . THR 45 45 27145 1 . ILE 46 46 27145 1 . THR 47 47 27145 1 . ASN 48 48 27145 1 . LYS 49 49 27145 1 . LYS 50 50 27145 1 . CYS 51 51 27145 1 . PRO 52 52 27145 1 . GLN 53 53 27145 1 . LYS 54 54 27145 1 . MET 55 55 27145 1 . LEU 56 56 27145 1 . GLN 57 57 27145 1 . PHE 58 58 27145 1 . TYR 59 59 27145 1 . GLU 60 60 27145 1 . SER 61 61 27145 1 . HIS 62 62 27145 1 . LEU 63 63 27145 1 . THR 64 64 27145 1 . PHE 65 65 27145 1 . ARG 66 66 27145 1 . GLU 67 67 27145 1 . ASN 68 68 27145 1 . GLU 69 69 27145 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 27145 _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 $Swi6 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . 27145 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 27145 _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 $Swi6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET30a . . . 27145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Swi6_CSD _Sample.Sf_category sample _Sample.Sf_framecode Swi6_CSD _Sample.Entry_ID 27145 _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 Swi6 '[U-100% 13C; U-100% 15N]' . . 1 $Swi6 . . 250 . . uM . . . . 27145 1 2 'HEPES pH 7.8' 'natural abundance' . . . . . . 20 . . mM . . . . 27145 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27145 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27145 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 27145 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 27145 1 pH 7.5 . pH 27145 1 pressure 1 . atm 27145 1 temperature 303 . K 27145 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27145 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.131 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27145 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27145 1 Goddard . . 27145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27145 1 'peak picking' 27145 1 processing 27145 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UCSF_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UCSF_800 _NMR_spectrometer.Entry_ID 27145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_UCSF_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UCSF_500 _NMR_spectrometer.Entry_ID 27145 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27145 _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 UCSF_800 Bruker Avance . 800 . . . 27145 1 2 UCSF_500 Bruker DRX . 500 . . . 27145 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 27145 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Swi6_CSD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27145 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Swi6_CSD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27145 1 3 '3D HNCA' no . . . . . . . . . . 1 $Swi6_CSD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27145 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27145 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27145 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27145 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27145 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 27145 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27145 1 2 '3D CBCA(CO)NH' . . . 27145 1 3 '3D HNCA' . . . 27145 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 3 3 GLN CA C 13 56.312 0.018 . 1 . . . . 262 Q CA . 27145 1 2 . 1 1 3 3 GLN CB C 13 28.735 0.000 . 1 . . . . 262 Q CB . 27145 1 3 . 1 1 4 4 VAL H H 1 7.909 0.001 . 1 . . . . 263 V H . 27145 1 4 . 1 1 4 4 VAL CA C 13 63.541 0.008 . 1 . . . . 263 V CA . 27145 1 5 . 1 1 4 4 VAL CB C 13 31.374 0.000 . 1 . . . . 263 V CB . 27145 1 6 . 1 1 4 4 VAL N N 15 118.369 0.028 . 1 . . . . 263 V N . 27145 1 7 . 1 1 5 5 GLU H H 1 8.648 0.001 . 1 . . . . 264 E H . 27145 1 8 . 1 1 5 5 GLU CA C 13 58.335 0.000 . 1 . . . . 264 E CA . 27145 1 9 . 1 1 5 5 GLU N N 15 121.760 0.024 . 1 . . . . 264 E N . 27145 1 10 . 1 1 9 9 SER CA C 13 56.177 0.078 . 1 . . . . 268 S CA . 27145 1 11 . 1 1 9 9 SER CB C 13 64.701 0.000 . 1 . . . . 268 S CB . 27145 1 12 . 1 1 10 10 TRP H H 1 9.245 0.002 . 1 . . . . 269 W H . 27145 1 13 . 1 1 10 10 TRP CA C 13 53.874 0.026 . 1 . . . . 269 W CA . 27145 1 14 . 1 1 10 10 TRP CB C 13 31.119 0.000 . 1 . . . . 269 W CB . 27145 1 15 . 1 1 10 10 TRP N N 15 125.451 0.040 . 1 . . . . 269 W N . 27145 1 16 . 1 1 11 11 GLU H H 1 8.294 0.001 . 1 . . . . 270 E H . 27145 1 17 . 1 1 11 11 GLU CA C 13 59.859 0.000 . 1 . . . . 270 E CA . 27145 1 18 . 1 1 11 11 GLU N N 15 120.299 0.025 . 1 . . . . 270 E N . 27145 1 19 . 1 1 12 12 ASP CA C 13 54.356 0.000 . 1 . . . . 271 D CA . 27145 1 20 . 1 1 13 13 LEU H H 1 7.534 0.002 . 1 . . . . 272 L H . 27145 1 21 . 1 1 13 13 LEU CA C 13 55.260 0.003 . 1 . . . . 272 L CA . 27145 1 22 . 1 1 13 13 LEU CB C 13 44.530 0.000 . 1 . . . . 272 L CB . 27145 1 23 . 1 1 13 13 LEU N N 15 117.501 0.033 . 1 . . . . 272 L N . 27145 1 24 . 1 1 14 14 VAL H H 1 7.137 0.001 . 1 . . . . 273 V H . 27145 1 25 . 1 1 14 14 VAL CA C 13 62.911 0.022 . 1 . . . . 273 V CA . 27145 1 26 . 1 1 14 14 VAL CB C 13 34.223 0.000 . 1 . . . . 273 V CB . 27145 1 27 . 1 1 14 14 VAL N N 15 121.435 0.022 . 1 . . . . 273 V N . 27145 1 28 . 1 1 15 15 SER H H 1 9.340 0.004 . 1 . . . . 274 S H . 27145 1 29 . 1 1 15 15 SER CA C 13 59.336 0.035 . 1 . . . . 274 S CA . 27145 1 30 . 1 1 15 15 SER N N 15 121.938 0.021 . 1 . . . . 274 S N . 27145 1 31 . 1 1 16 16 SER H H 1 7.891 0.002 . 1 . . . . 275 S H . 27145 1 32 . 1 1 16 16 SER CA C 13 57.121 0.012 . 1 . . . . 275 S CA . 27145 1 33 . 1 1 16 16 SER CB C 13 64.026 0.157 . 1 . . . . 275 S CB . 27145 1 34 . 1 1 16 16 SER N N 15 111.429 0.041 . 1 . . . . 275 S N . 27145 1 35 . 1 1 17 17 ILE H H 1 8.126 0.001 . 1 . . . . 276 I H . 27145 1 36 . 1 1 17 17 ILE CA C 13 59.388 0.022 . 1 . . . . 276 I CA . 27145 1 37 . 1 1 17 17 ILE CB C 13 35.440 0.000 . 1 . . . . 276 I CB . 27145 1 38 . 1 1 17 17 ILE N N 15 121.559 0.026 . 1 . . . . 276 I N . 27145 1 39 . 1 1 18 18 ASP H H 1 8.969 0.001 . 1 . . . . 277 D H . 27145 1 40 . 1 1 18 18 ASP CA C 13 56.836 0.067 . 1 . . . . 277 D CA . 27145 1 41 . 1 1 18 18 ASP CB C 13 43.021 0.000 . 1 . . . . 277 D CB . 27145 1 42 . 1 1 18 18 ASP N N 15 125.981 0.018 . 1 . . . . 277 D N . 27145 1 43 . 1 1 19 19 THR H H 1 7.542 0.002 . 1 . . . . 278 T H . 27145 1 44 . 1 1 19 19 THR CA C 13 60.906 0.081 . 1 . . . . 278 T CA . 27145 1 45 . 1 1 19 19 THR CB C 13 71.095 0.000 . 1 . . . . 278 T CB . 27145 1 46 . 1 1 19 19 THR N N 15 110.358 0.044 . 1 . . . . 278 T N . 27145 1 47 . 1 1 20 20 ILE H H 1 8.156 0.001 . 1 . . . . 279 I H . 27145 1 48 . 1 1 20 20 ILE CA C 13 60.140 0.022 . 1 . . . . 279 I CA . 27145 1 49 . 1 1 20 20 ILE CB C 13 41.013 0.000 . 1 . . . . 279 I CB . 27145 1 50 . 1 1 20 20 ILE N N 15 120.382 0.028 . 1 . . . . 279 I N . 27145 1 51 . 1 1 21 21 GLU H H 1 9.270 0.002 . 1 . . . . 280 E H . 27145 1 52 . 1 1 21 21 GLU CA C 13 54.375 0.070 . 1 . . . . 280 E CA . 27145 1 53 . 1 1 21 21 GLU CB C 13 34.021 0.000 . 1 . . . . 280 E CB . 27145 1 54 . 1 1 21 21 GLU N N 15 110.965 34.41 . 1 . . . . 280 E N . 27145 1 55 . 1 1 22 22 ARG H H 1 8.671 0.001 . 1 . . . . 281 R H . 27145 1 56 . 1 1 22 22 ARG CA C 13 55.214 0.127 . 1 . . . . 281 R CA . 27145 1 57 . 1 1 22 22 ARG CB C 13 30.137 0.000 . 1 . . . . 281 R CB . 27145 1 58 . 1 1 22 22 ARG N N 15 125.483 0.031 . 1 . . . . 281 R N . 27145 1 59 . 1 1 23 23 LYS H H 1 8.940 0.002 . 1 . . . . 282 K H . 27145 1 60 . 1 1 23 23 LYS CA C 13 54.043 0.000 . 1 . . . . 282 K CA . 27145 1 61 . 1 1 23 23 LYS N N 15 127.212 0.022 . 1 . . . . 282 K N . 27145 1 62 . 1 1 24 24 ASP H H 1 9.097 0.002 . 1 . . . . 283 D H . 27145 1 63 . 1 1 24 24 ASP CA C 13 56.911 0.041 . 1 . . . . 283 D CA . 27145 1 64 . 1 1 24 24 ASP CB C 13 40.096 0.000 . 1 . . . . 283 D CB . 27145 1 65 . 1 1 24 24 ASP N N 15 115.143 0.029 . 1 . . . . 283 D N . 27145 1 66 . 1 1 25 25 ASP H H 1 7.619 0.001 . 1 . . . . 284 D H . 27145 1 67 . 1 1 25 25 ASP CA C 13 52.980 0.010 . 1 . . . . 284 D CA . 27145 1 68 . 1 1 25 25 ASP CB C 13 39.907 0.000 . 1 . . . . 284 D CB . 27145 1 69 . 1 1 25 25 ASP N N 15 116.212 0.037 . 1 . . . . 284 D N . 27145 1 70 . 1 1 26 26 GLY H H 1 8.208 0.001 . 1 . . . . 285 G H . 27145 1 71 . 1 1 26 26 GLY CA C 13 45.134 0.054 . 1 . . . . 285 G CA . 27145 1 72 . 1 1 26 26 GLY N N 15 108.241 0.059 . 1 . . . . 285 G N . 27145 1 73 . 1 1 27 27 THR H H 1 7.965 0.001 . 1 . . . . 286 T H . 27145 1 74 . 1 1 27 27 THR CA C 13 64.497 3.339 . 1 . . . . 286 T CA . 27145 1 75 . 1 1 27 27 THR N N 15 114.411 0.025 . 1 . . . . 286 T N . 27145 1 76 . 1 1 28 28 LEU H H 1 8.622 0.001 . 1 . . . . 287 L H . 27145 1 77 . 1 1 28 28 LEU CA C 13 53.819 0.033 . 1 . . . . 287 L CA . 27145 1 78 . 1 1 28 28 LEU CB C 13 43.305 0.000 . 1 . . . . 287 L CB . 27145 1 79 . 1 1 28 28 LEU N N 15 120.820 0.035 . 1 . . . . 287 L N . 27145 1 80 . 1 1 29 29 GLU H H 1 9.395 0.002 . 1 . . . . 288 E H . 27145 1 81 . 1 1 29 29 GLU CA C 13 55.200 0.002 . 1 . . . . 288 E CA . 27145 1 82 . 1 1 29 29 GLU CB C 13 32.254 0.000 . 1 . . . . 288 E CB . 27145 1 83 . 1 1 29 29 GLU N N 15 127.290 0.036 . 1 . . . . 288 E N . 27145 1 84 . 1 1 30 30 ILE H H 1 9.295 0.002 . 1 . . . . 289 I H . 27145 1 85 . 1 1 30 30 ILE CA C 13 58.870 0.033 . 1 . . . . 289 I CA . 27145 1 86 . 1 1 30 30 ILE CB C 13 37.264 0.000 . 1 . . . . 289 I CB . 27145 1 87 . 1 1 30 30 ILE N N 15 128.470 0.027 . 1 . . . . 289 I N . 27145 1 88 . 1 1 31 31 TYR H H 1 8.717 0.002 . 1 . . . . 290 Y H . 27145 1 89 . 1 1 31 31 TYR CA C 13 57.651 0.011 . 1 . . . . 290 Y CA . 27145 1 90 . 1 1 31 31 TYR CB C 13 38.119 0.000 . 1 . . . . 290 Y CB . 27145 1 91 . 1 1 31 31 TYR N N 15 127.106 0.036 . 1 . . . . 290 Y N . 27145 1 92 . 1 1 32 32 LEU H H 1 9.062 0.002 . 1 . . . . 291 L H . 27145 1 93 . 1 1 32 32 LEU CA C 13 53.896 0.021 . 1 . . . . 291 L CA . 27145 1 94 . 1 1 32 32 LEU CB C 13 46.143 0.000 . 1 . . . . 291 L CB . 27145 1 95 . 1 1 32 32 LEU N N 15 121.995 0.033 . 1 . . . . 291 L N . 27145 1 96 . 1 1 33 33 THR H H 1 8.439 0.002 . 1 . . . . 292 T H . 27145 1 97 . 1 1 33 33 THR CA C 13 61.940 0.025 . 1 . . . . 292 T CA . 27145 1 98 . 1 1 33 33 THR CB C 13 69.852 0.000 . 1 . . . . 292 T CB . 27145 1 99 . 1 1 33 33 THR N N 15 116.108 0.042 . 1 . . . . 292 T N . 27145 1 100 . 1 1 34 34 TRP H H 1 9.539 0.007 . 1 . . . . 293 W H . 27145 1 101 . 1 1 34 34 TRP CA C 13 57.314 0.027 . 1 . . . . 293 W CA . 27145 1 102 . 1 1 34 34 TRP CB C 13 30.161 0.000 . 1 . . . . 293 W CB . 27145 1 103 . 1 1 34 34 TRP N N 15 129.438 0.021 . 1 . . . . 293 W N . 27145 1 104 . 1 1 35 35 LYS H H 1 8.792 0.002 . 1 . . . . 294 K H . 27145 1 105 . 1 1 35 35 LYS CA C 13 60.048 0.000 . 1 . . . . 294 K CA . 27145 1 106 . 1 1 35 35 LYS CB C 13 29.382 0.000 . 1 . . . . 294 K CB . 27145 1 107 . 1 1 35 35 LYS N N 15 122.342 0.014 . 1 . . . . 294 K N . 27145 1 108 . 1 1 37 37 GLY H H 1 8.199 0.001 . 1 . . . . 296 G H . 27145 1 109 . 1 1 37 37 GLY CA C 13 44.808 0.036 . 1 . . . . 296 G CA . 27145 1 110 . 1 1 37 37 GLY N N 15 108.924 0.065 . 1 . . . . 296 G N . 27145 1 111 . 1 1 38 38 ALA H H 1 7.851 0.001 . 1 . . . . 297 A H . 27145 1 112 . 1 1 38 38 ALA CA C 13 52.261 0.032 . 1 . . . . 297 A CA . 27145 1 113 . 1 1 38 38 ALA CB C 13 19.311 0.000 . 1 . . . . 297 A CB . 27145 1 114 . 1 1 38 38 ALA N N 15 123.360 0.025 . 1 . . . . 297 A N . 27145 1 115 . 1 1 39 39 ILE H H 1 8.208 0.000 . 1 . . . . 298 I H . 27145 1 116 . 1 1 39 39 ILE CA C 13 59.925 0.017 . 1 . . . . 298 I CA . 27145 1 117 . 1 1 39 39 ILE CB C 13 41.452 0.000 . 1 . . . . 298 I CB . 27145 1 118 . 1 1 39 39 ILE N N 15 116.358 0.021 . 1 . . . . 298 I N . 27145 1 119 . 1 1 40 40 SER H H 1 8.812 0.002 . 1 . . . . 299 S H . 27145 1 120 . 1 1 40 40 SER CA C 13 58.613 0.013 . 1 . . . . 299 S CA . 27145 1 121 . 1 1 40 40 SER CB C 13 63.981 0.000 . 1 . . . . 299 S CB . 27145 1 122 . 1 1 40 40 SER N N 15 117.639 0.037 . 1 . . . . 299 S N . 27145 1 123 . 1 1 41 41 HIS H H 1 7.216 0.002 . 1 . . . . 300 H H . 27145 1 124 . 1 1 41 41 HIS CA C 13 52.776 0.021 . 1 . . . . 300 H CA . 27145 1 125 . 1 1 41 41 HIS CB C 13 30.563 0.000 . 1 . . . . 300 H CB . 27145 1 126 . 1 1 41 41 HIS N N 15 112.505 0.035 . 1 . . . . 300 H N . 27145 1 127 . 1 1 42 42 HIS H H 1 8.885 0.001 . 1 . . . . 301 H H . 27145 1 128 . 1 1 42 42 HIS CA C 13 53.762 0.000 . 1 . . . . 301 H CA . 27145 1 129 . 1 1 42 42 HIS N N 15 118.561 0.030 . 1 . . . . 301 H N . 27145 1 130 . 1 1 44 44 SER CA C 13 61.094 0.000 . 1 . . . . 303 S CA . 27145 1 131 . 1 1 45 45 THR H H 1 7.298 0.001 . 1 . . . . 304 T H . 27145 1 132 . 1 1 45 45 THR CA C 13 64.218 0.028 . 1 . . . . 304 T CA . 27145 1 133 . 1 1 45 45 THR CB C 13 68.172 0.000 . 1 . . . . 304 T CB . 27145 1 134 . 1 1 45 45 THR N N 15 111.064 0.018 . 1 . . . . 304 T N . 27145 1 135 . 1 1 46 46 ILE H H 1 7.491 0.001 . 1 . . . . 305 I H . 27145 1 136 . 1 1 46 46 ILE CA C 13 62.399 0.014 . 1 . . . . 305 I CA . 27145 1 137 . 1 1 46 46 ILE CB C 13 37.644 0.000 . 1 . . . . 305 I CB . 27145 1 138 . 1 1 46 46 ILE N N 15 119.503 0.027 . 1 . . . . 305 I N . 27145 1 139 . 1 1 47 47 THR H H 1 7.740 0.002 . 1 . . . . 306 T H . 27145 1 140 . 1 1 47 47 THR CA C 13 66.463 0.065 . 1 . . . . 306 T CA . 27145 1 141 . 1 1 47 47 THR N N 15 113.146 0.038 . 1 . . . . 306 T N . 27145 1 142 . 1 1 48 48 ASN H H 1 9.013 0.001 . 1 . . . . 307 N H . 27145 1 143 . 1 1 48 48 ASN CA C 13 55.514 0.041 . 1 . . . . 307 N CA . 27145 1 144 . 1 1 48 48 ASN CB C 13 37.490 0.000 . 1 . . . . 307 N CB . 27145 1 145 . 1 1 48 48 ASN N N 15 120.747 0.029 . 1 . . . . 307 N N . 27145 1 146 . 1 1 49 49 LYS H H 1 6.621 0.001 . 1 . . . . 308 K H . 27145 1 147 . 1 1 49 49 LYS CA C 13 56.816 0.000 . 1 . . . . 308 K CA . 27145 1 148 . 1 1 49 49 LYS N N 15 114.135 0.034 . 1 . . . . 308 K N . 27145 1 149 . 1 1 52 52 PRO CA C 13 65.566 0.067 . 1 . . . . 311 P CA . 27145 1 150 . 1 1 52 52 PRO CB C 13 31.385 0.000 . 1 . . . . 311 P CB . 27145 1 151 . 1 1 53 53 GLN H H 1 10.992 0.001 . 1 . . . . 312 Q H . 27145 1 152 . 1 1 53 53 GLN CA C 13 58.805 0.020 . 1 . . . . 312 Q CA . 27145 1 153 . 1 1 53 53 GLN CB C 13 25.747 0.000 . 1 . . . . 312 Q CB . 27145 1 154 . 1 1 53 53 GLN N N 15 118.798 0.025 . 1 . . . . 312 Q N . 27145 1 155 . 1 1 54 54 LYS H H 1 8.301 0.002 . 1 . . . . 313 K H . 27145 1 156 . 1 1 54 54 LYS CA C 13 57.829 0.023 . 1 . . . . 313 K CA . 27145 1 157 . 1 1 54 54 LYS CB C 13 31.250 0.000 . 1 . . . . 313 K CB . 27145 1 158 . 1 1 54 54 LYS N N 15 122.135 0.025 . 1 . . . . 313 K N . 27145 1 159 . 1 1 55 55 MET H H 1 7.958 0.002 . 1 . . . . 314 M H . 27145 1 160 . 1 1 55 55 MET CA C 13 56.048 0.031 . 1 . . . . 314 M CA . 27145 1 161 . 1 1 55 55 MET N N 15 117.558 0.023 . 1 . . . . 314 M N . 27145 1 162 . 1 1 56 56 LEU H H 1 8.840 0.004 . 1 . . . . 315 L H . 27145 1 163 . 1 1 56 56 LEU CA C 13 57.568 0.975 . 1 . . . . 315 L CA . 27145 1 164 . 1 1 56 56 LEU CB C 13 41.382 0.000 . 1 . . . . 315 L CB . 27145 1 165 . 1 1 56 56 LEU N N 15 121.423 0.033 . 1 . . . . 315 L N . 27145 1 166 . 1 1 57 57 GLN H H 1 7.955 0.003 . 1 . . . . 316 Q H . 27145 1 167 . 1 1 57 57 GLN CA C 13 58.823 0.029 . 1 . . . . 316 Q CA . 27145 1 168 . 1 1 57 57 GLN CB C 13 28.496 0.000 . 1 . . . . 316 Q CB . 27145 1 169 . 1 1 57 57 GLN N N 15 116.923 0.029 . 1 . . . . 316 Q N . 27145 1 170 . 1 1 58 58 PHE H H 1 7.705 0.001 . 1 . . . . 317 F H . 27145 1 171 . 1 1 58 58 PHE CA C 13 61.556 0.021 . 1 . . . . 317 F CA . 27145 1 172 . 1 1 58 58 PHE CB C 13 38.190 0.000 . 1 . . . . 317 F CB . 27145 1 173 . 1 1 58 58 PHE N N 15 121.348 0.018 . 1 . . . . 317 F N . 27145 1 174 . 1 1 59 59 TYR H H 1 8.669 0.001 . 1 . . . . 318 Y H . 27145 1 175 . 1 1 59 59 TYR CA C 13 61.959 0.033 . 1 . . . . 318 Y CA . 27145 1 176 . 1 1 59 59 TYR CB C 13 36.374 0.000 . 1 . . . . 318 Y CB . 27145 1 177 . 1 1 59 59 TYR N N 15 122.167 0.023 . 1 . . . . 318 Y N . 27145 1 178 . 1 1 60 60 GLU H H 1 8.511 0.002 . 1 . . . . 319 E H . 27145 1 179 . 1 1 60 60 GLU CA C 13 59.960 0.026 . 1 . . . . 319 E CA . 27145 1 180 . 1 1 60 60 GLU CB C 13 29.380 0.000 . 1 . . . . 319 E CB . 27145 1 181 . 1 1 60 60 GLU N N 15 116.745 0.033 . 1 . . . . 319 E N . 27145 1 182 . 1 1 61 61 SER H H 1 7.498 0.004 . 1 . . . . 320 S H . 27145 1 183 . 1 1 61 61 SER CA C 13 57.128 3.450 . 1 . . . . 320 S CA . 27145 1 184 . 1 1 61 61 SER CB C 13 50.425 13.25 . 1 . . . . 320 S CB . 27145 1 185 . 1 1 61 61 SER N N 15 112.094 0.042 . 1 . . . . 320 S N . 27145 1 186 . 1 1 62 62 HIS H H 1 7.672 0.001 . 1 . . . . 321 H H . 27145 1 187 . 1 1 62 62 HIS CA C 13 57.552 0.007 . 1 . . . . 321 H CA . 27145 1 188 . 1 1 62 62 HIS CB C 13 30.573 0.000 . 1 . . . . 321 H CB . 27145 1 189 . 1 1 62 62 HIS N N 15 119.956 0.025 . 1 . . . . 321 H N . 27145 1 190 . 1 1 63 63 LEU H H 1 7.516 0.002 . 1 . . . . 322 L H . 27145 1 191 . 1 1 63 63 LEU CA C 13 55.543 0.007 . 1 . . . . 322 L CA . 27145 1 192 . 1 1 63 63 LEU CB C 13 42.715 0.000 . 1 . . . . 322 L CB . 27145 1 193 . 1 1 63 63 LEU N N 15 120.447 0.036 . 1 . . . . 322 L N . 27145 1 194 . 1 1 64 64 THR H H 1 7.911 0.002 . 1 . . . . 323 T H . 27145 1 195 . 1 1 64 64 THR CA C 13 61.382 0.018 . 1 . . . . 323 T CA . 27145 1 196 . 1 1 64 64 THR CB C 13 70.161 0.000 . 1 . . . . 323 T CB . 27145 1 197 . 1 1 64 64 THR N N 15 113.918 0.019 . 1 . . . . 323 T N . 27145 1 198 . 1 1 65 65 PHE H H 1 8.321 0.008 . 1 . . . . 324 F H . 27145 1 199 . 1 1 65 65 PHE CA C 13 57.767 0.032 . 1 . . . . 324 F CA . 27145 1 200 . 1 1 65 65 PHE CB C 13 39.905 0.000 . 1 . . . . 324 F CB . 27145 1 201 . 1 1 65 65 PHE N N 15 122.117 0.029 . 1 . . . . 324 F N . 27145 1 202 . 1 1 66 66 ARG H H 1 8.380 0.004 . 1 . . . . 325 R H . 27145 1 203 . 1 1 66 66 ARG CA C 13 55.939 0.016 . 1 . . . . 325 R CA . 27145 1 204 . 1 1 66 66 ARG CB C 13 31.142 0.000 . 1 . . . . 325 R CB . 27145 1 205 . 1 1 66 66 ARG N N 15 122.077 0.029 . 1 . . . . 325 R N . 27145 1 206 . 1 1 67 67 GLU H H 1 8.596 0.001 . 1 . . . . 326 E H . 27145 1 207 . 1 1 67 67 GLU CA C 13 56.694 0.071 . 1 . . . . 326 E CA . 27145 1 208 . 1 1 67 67 GLU CB C 13 30.386 0.000 . 1 . . . . 326 E CB . 27145 1 209 . 1 1 67 67 GLU N N 15 122.319 0.025 . 1 . . . . 326 E N . 27145 1 210 . 1 1 68 68 ASN H H 1 8.507 0.002 . 1 . . . . 327 N H . 27145 1 211 . 1 1 68 68 ASN CA C 13 53.423 0.017 . 1 . . . . 327 N CA . 27145 1 212 . 1 1 68 68 ASN CB C 13 39.189 0.000 . 1 . . . . 327 N CB . 27145 1 213 . 1 1 68 68 ASN N N 15 119.334 0.009 . 1 . . . . 327 N N . 27145 1 214 . 1 1 69 69 GLU H H 1 7.924 0.001 . 1 . . . . 328 E H . 27145 1 215 . 1 1 69 69 GLU CA C 13 58.107 0.000 . 1 . . . . 328 E CA . 27145 1 216 . 1 1 69 69 GLU N N 15 125.997 0.021 . 1 . . . . 328 E N . 27145 1 stop_ save_