data_51130 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51130 _Entry.Title ; ASCC2 CUE domain interaction with monoubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-10 _Entry.Accession_date 2021-10-10 _Entry.Last_release_date 2021-10-10 _Entry.Original_release_date 2021-10-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Assignments and chemical shift perturbations for 20 uM 15N-labeled ASCC2 residues 467-521 alone and in the presence of 681 uM monoubiquitin at 40C. ; _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 Patrick Lombardi . M. . . 51130 2 Christine Ngandu . K. . . 51130 3 Shaheer Syed . H. . . 51130 4 Julianna Veilleux . M. . . 51130 5 Ananya Majumdar . . . . 51130 6 Cynthia Wolberger . . . . 51130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51130 chem_shift_perturbation 1 51130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 50 51130 '1H chemical shifts' 50 51130 'molecule interaction chemical shift values' 50 51130 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 . . 2022-05-22 2021-10-10 update BMRB 'update entry citation' 51130 1 . . 2021-12-30 2021-10-10 original author 'original release' 51130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51139 'ASCC2 CUE domain interaction with K63-linked diubiquitin' 51130 BMRB 51145 'K63-linked diubiquitin with 15N-labeled proximal ubiquitin interacting with ASCC2 CUE domain' 51130 BMRB 51146 'K63-linked diubiquitin with 15N-labeled distal ubiquitin interacting with ASCC2 CUE domain' 51130 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51130 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34971705 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The ASCC2 CUE domain in the ALKBH3-ASCC DNA repair complex recognizes adjacent ubiquitins in K63-linked polyubiquitin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 298 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 101545 _Citation.Page_last 101545 _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 Patrick Lombardi . M. . . 51130 1 2 Sara Haile . . . . 51130 1 3 Timur Rusanov . . . . 51130 1 4 Rebecca Rodell . . . . 51130 1 5 Rita Anoh . . . . 51130 1 6 Julia Baer . G. . . 51130 1 7 Kate Burke . A. . . 51130 1 8 Lauren Gray . N. . . 51130 1 9 Abigail Hacker . R. . . 51130 1 10 Kayla Kebreau . R. . . 51130 1 11 Christine Ngandu . K. . . 51130 1 12 Hannah Orland . A. . . 51130 1 13 Emmanuella Osei-Asante . . . . 51130 1 14 Dhane Schmelyun . P. . . 51130 1 15 Devin Shorb . E. . . 51130 1 16 Shaheer Syed . H. . . 51130 1 17 Julianna Veilleux . M. . . 51130 1 18 Ananya Majumdar . . . . 51130 1 19 Nima Mosammaparast . . . . 51130 1 20 Cynthia Wolberger . . . . 51130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51130 _Assembly.ID 1 _Assembly.Name 'ASCC2 CUE:monoubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'ASCC2 CUE domain' 1 $entity_1 . . yes native no no . . . 51130 1 2 monoubiquitin 2 $entity_2 . . yes native no no . . . 51130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51130 _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 ; ELDSLISQVKDLLPDLGEGF ILACLEYYHYDPEQVINNIL EERLAPTLSQLDRNL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1 467 GLU . 51130 1 2 468 LEU . 51130 1 3 469 ASP . 51130 1 4 470 SER . 51130 1 5 471 LEU . 51130 1 6 472 ILE . 51130 1 7 473 SER . 51130 1 8 474 GLN . 51130 1 9 475 VAL . 51130 1 10 476 LYS . 51130 1 11 477 ASP . 51130 1 12 478 LEU . 51130 1 13 479 LEU . 51130 1 14 480 PRO . 51130 1 15 481 ASP . 51130 1 16 482 LEU . 51130 1 17 483 GLY . 51130 1 18 484 GLU . 51130 1 19 485 GLY . 51130 1 20 486 PHE . 51130 1 21 487 ILE . 51130 1 22 488 LEU . 51130 1 23 489 ALA . 51130 1 24 490 CYS . 51130 1 25 491 LEU . 51130 1 26 492 GLU . 51130 1 27 493 TYR . 51130 1 28 494 TYR . 51130 1 29 495 HIS . 51130 1 30 496 TYR . 51130 1 31 497 ASP . 51130 1 32 498 PRO . 51130 1 33 499 GLU . 51130 1 34 500 GLN . 51130 1 35 501 VAL . 51130 1 36 502 ILE . 51130 1 37 503 ASN . 51130 1 38 504 ASN . 51130 1 39 505 ILE . 51130 1 40 506 LEU . 51130 1 41 507 GLU . 51130 1 42 508 GLU . 51130 1 43 509 ARG . 51130 1 44 510 LEU . 51130 1 45 511 ALA . 51130 1 46 512 PRO . 51130 1 47 513 THR . 51130 1 48 514 LEU . 51130 1 49 515 SER . 51130 1 50 516 GLN . 51130 1 51 517 LEU . 51130 1 52 518 ASP . 51130 1 53 519 ARG . 51130 1 54 520 ASN . 51130 1 55 521 LEU . 51130 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 . GLU 1 1 51130 1 . LEU 2 2 51130 1 . ASP 3 3 51130 1 . SER 4 4 51130 1 . LEU 5 5 51130 1 . ILE 6 6 51130 1 . SER 7 7 51130 1 . GLN 8 8 51130 1 . VAL 9 9 51130 1 . LYS 10 10 51130 1 . ASP 11 11 51130 1 . LEU 12 12 51130 1 . LEU 13 13 51130 1 . PRO 14 14 51130 1 . ASP 15 15 51130 1 . LEU 16 16 51130 1 . GLY 17 17 51130 1 . GLU 18 18 51130 1 . GLY 19 19 51130 1 . PHE 20 20 51130 1 . ILE 21 21 51130 1 . LEU 22 22 51130 1 . ALA 23 23 51130 1 . CYS 24 24 51130 1 . LEU 25 25 51130 1 . GLU 26 26 51130 1 . TYR 27 27 51130 1 . TYR 28 28 51130 1 . HIS 29 29 51130 1 . TYR 30 30 51130 1 . ASP 31 31 51130 1 . PRO 32 32 51130 1 . GLU 33 33 51130 1 . GLN 34 34 51130 1 . VAL 35 35 51130 1 . ILE 36 36 51130 1 . ASN 37 37 51130 1 . ASN 38 38 51130 1 . ILE 39 39 51130 1 . LEU 40 40 51130 1 . GLU 41 41 51130 1 . GLU 42 42 51130 1 . ARG 43 43 51130 1 . LEU 44 44 51130 1 . ALA 45 45 51130 1 . PRO 46 46 51130 1 . THR 47 47 51130 1 . LEU 48 48 51130 1 . SER 49 49 51130 1 . GLN 50 50 51130 1 . LEU 51 51 51130 1 . ASP 52 52 51130 1 . ARG 53 53 51130 1 . ASN 54 54 51130 1 . LEU 55 55 51130 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51130 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGRQLEDGRTLSDYN IQRESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation K48R/K63R _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 . MET . 51130 2 2 . GLN . 51130 2 3 . ILE . 51130 2 4 . PHE . 51130 2 5 . VAL . 51130 2 6 . LYS . 51130 2 7 . THR . 51130 2 8 . LEU . 51130 2 9 . THR . 51130 2 10 . GLY . 51130 2 11 . LYS . 51130 2 12 . THR . 51130 2 13 . ILE . 51130 2 14 . THR . 51130 2 15 . LEU . 51130 2 16 . GLU . 51130 2 17 . VAL . 51130 2 18 . GLU . 51130 2 19 . PRO . 51130 2 20 . SER . 51130 2 21 . ASP . 51130 2 22 . THR . 51130 2 23 . ILE . 51130 2 24 . GLU . 51130 2 25 . ASN . 51130 2 26 . VAL . 51130 2 27 . LYS . 51130 2 28 . ALA . 51130 2 29 . LYS . 51130 2 30 . ILE . 51130 2 31 . GLN . 51130 2 32 . ASP . 51130 2 33 . LYS . 51130 2 34 . GLU . 51130 2 35 . GLY . 51130 2 36 . ILE . 51130 2 37 . PRO . 51130 2 38 . PRO . 51130 2 39 . ASP . 51130 2 40 . GLN . 51130 2 41 . GLN . 51130 2 42 . ARG . 51130 2 43 . LEU . 51130 2 44 . ILE . 51130 2 45 . PHE . 51130 2 46 . ALA . 51130 2 47 . GLY . 51130 2 48 . ARG . 51130 2 49 . GLN . 51130 2 50 . LEU . 51130 2 51 . GLU . 51130 2 52 . ASP . 51130 2 53 . GLY . 51130 2 54 . ARG . 51130 2 55 . THR . 51130 2 56 . LEU . 51130 2 57 . SER . 51130 2 58 . ASP . 51130 2 59 . TYR . 51130 2 60 . ASN . 51130 2 61 . ILE . 51130 2 62 . GLN . 51130 2 63 . ARG . 51130 2 64 . GLU . 51130 2 65 . SER . 51130 2 66 . THR . 51130 2 67 . LEU . 51130 2 68 . HIS . 51130 2 69 . LEU . 51130 2 70 . VAL . 51130 2 71 . LEU . 51130 2 72 . ARG . 51130 2 73 . LEU . 51130 2 74 . ARG . 51130 2 75 . GLY . 51130 2 76 . GLY . 51130 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51130 2 . GLN 2 2 51130 2 . ILE 3 3 51130 2 . PHE 4 4 51130 2 . VAL 5 5 51130 2 . LYS 6 6 51130 2 . THR 7 7 51130 2 . LEU 8 8 51130 2 . THR 9 9 51130 2 . GLY 10 10 51130 2 . LYS 11 11 51130 2 . THR 12 12 51130 2 . ILE 13 13 51130 2 . THR 14 14 51130 2 . LEU 15 15 51130 2 . GLU 16 16 51130 2 . VAL 17 17 51130 2 . GLU 18 18 51130 2 . PRO 19 19 51130 2 . SER 20 20 51130 2 . ASP 21 21 51130 2 . THR 22 22 51130 2 . ILE 23 23 51130 2 . GLU 24 24 51130 2 . ASN 25 25 51130 2 . VAL 26 26 51130 2 . LYS 27 27 51130 2 . ALA 28 28 51130 2 . LYS 29 29 51130 2 . ILE 30 30 51130 2 . GLN 31 31 51130 2 . ASP 32 32 51130 2 . LYS 33 33 51130 2 . GLU 34 34 51130 2 . GLY 35 35 51130 2 . ILE 36 36 51130 2 . PRO 37 37 51130 2 . PRO 38 38 51130 2 . ASP 39 39 51130 2 . GLN 40 40 51130 2 . GLN 41 41 51130 2 . ARG 42 42 51130 2 . LEU 43 43 51130 2 . ILE 44 44 51130 2 . PHE 45 45 51130 2 . ALA 46 46 51130 2 . GLY 47 47 51130 2 . ARG 48 48 51130 2 . GLN 49 49 51130 2 . LEU 50 50 51130 2 . GLU 51 51 51130 2 . ASP 52 52 51130 2 . GLY 53 53 51130 2 . ARG 54 54 51130 2 . THR 55 55 51130 2 . LEU 56 56 51130 2 . SER 57 57 51130 2 . ASP 58 58 51130 2 . TYR 59 59 51130 2 . ASN 60 60 51130 2 . ILE 61 61 51130 2 . GLN 62 62 51130 2 . ARG 63 63 51130 2 . GLU 64 64 51130 2 . SER 65 65 51130 2 . THR 66 66 51130 2 . LEU 67 67 51130 2 . HIS 68 68 51130 2 . LEU 69 69 51130 2 . VAL 70 70 51130 2 . LEU 71 71 51130 2 . ARG 72 72 51130 2 . LEU 73 73 51130 2 . ARG 74 74 51130 2 . GLY 75 75 51130 2 . GLY 76 76 51130 2 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 51130 _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 . . . . . . . . . . . . . 51130 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51130 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 51130 _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 . . pPROEX-HTa . . . 51130 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-3a . . . 51130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51130 _Sample.ID 1 _Sample.Name 'ASCC2 CUE domain and monoubiquitin at 40C' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in a buffer consisting of 20 mM Tris pH 7.0, 100 mM NaCl, and 200 mM TCEP' _Sample.Aggregate_sample_number 2 _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 'ASCC2 CUE domain' [U-15N] . . 1 $entity_1 . . 20 . . uM . . . . 51130 1 2 monoubiquitin 'natural abundance' . . 1 $entity_1 . . 681 . . uM . . . . 51130 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51130 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51130 1 5 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51130 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51130 _Sample.ID 2 _Sample.Name 'ASCC2 CUE domain at 40C' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in a buffer consisting of 20 mM Tris pH 7.0, 100 mM NaCl, and 200 mM TCEP' _Sample.Aggregate_sample_number 2 _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 'ASCC2 CUE domain' [U-15N] . . 1 $entity_1 . . 20 . . uM . . . . 51130 2 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51130 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51130 2 4 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51130 2 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 51130 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ASCC2 CUE domain and monoubiquitin at 40C' _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' 0.1 . M 51130 1 pH 7.0 . pH 51130 1 temperature 313 . K 51130 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51130 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51130 1 'chemical shift calculation' . 51130 1 'peak picking' . 51130 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51130 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51130 2 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 51130 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _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 51130 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51130 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' ser_20uM_15N_ASCC2 . 'Time-domain (raw spectral data)' . '1H,15N HSQC data for 20 uM ASCC2 CUE domain alone' 51130 1 1 '2D 1H-15N HSQC' ser_20uM_15N_ASCC2_680uM_Ub . 'Time-domain (raw spectral data)' . '1H,15N HSQC data for 20 uM ASCC2 CUE domain in presence of 681 uM monoubiquitin' 51130 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 51130 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '15N ASCC2 CUE domain (467-521)' _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51130 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . 51130 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 51130 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '15N ASCC2 CUE (467-521)' _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' . . . 51130 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 . . 51130 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 1 1 GLU H H 1 8.721 . . 1 . . . . . 467 GLU H . 51130 1 2 . 1 . 1 1 1 GLU N N 15 124.982 . . 1 . . . . . 467 GLU N . 51130 1 3 . 1 . 1 2 2 LEU H H 1 8.264 . . 1 . . . . . 468 LEU H . 51130 1 4 . 1 . 1 2 2 LEU N N 15 123.553 . . 1 . . . . . 468 LEU N . 51130 1 5 . 1 . 1 3 3 ASP H H 1 8.438 . . 1 . . . . . 469 ASP H . 51130 1 6 . 1 . 1 3 3 ASP N N 15 117.621 . . 1 . . . . . 469 ASP N . 51130 1 7 . 1 . 1 4 4 SER H H 1 7.932 . . 1 . . . . . 470 SER H . 51130 1 8 . 1 . 1 4 4 SER N N 15 114.968 . . 1 . . . . . 470 SER N . 51130 1 9 . 1 . 1 5 5 LEU H H 1 7.639 . . 1 . . . . . 471 LEU H . 51130 1 10 . 1 . 1 5 5 LEU N N 15 122.821 . . 1 . . . . . 471 LEU N . 51130 1 11 . 1 . 1 6 6 ILE H H 1 8.234 . . 1 . . . . . 472 ILE H . 51130 1 12 . 1 . 1 6 6 ILE N N 15 118.059 . . 1 . . . . . 472 ILE N . 51130 1 13 . 1 . 1 7 7 SER H H 1 7.993 . . 1 . . . . . 473 SER H . 51130 1 14 . 1 . 1 7 7 SER N N 15 114.259 . . 1 . . . . . 473 SER N . 51130 1 15 . 1 . 1 8 8 GLN H H 1 7.698 . . 1 . . . . . 474 GLN H . 51130 1 16 . 1 . 1 8 8 GLN N N 15 120.326 . . 1 . . . . . 474 GLN N . 51130 1 17 . 1 . 1 9 9 VAL H H 1 7.366 . . 1 . . . . . 475 VAL H . 51130 1 18 . 1 . 1 9 9 VAL N N 15 117.127 . . 1 . . . . . 475 VAL N . 51130 1 19 . 1 . 1 10 10 LYS H H 1 8.489 . . 1 . . . . . 476 LYS H . 51130 1 20 . 1 . 1 10 10 LYS N N 15 120.252 . . 1 . . . . . 476 LYS N . 51130 1 21 . 1 . 1 11 11 ASP H H 1 8.052 . . 1 . . . . . 477 ASP H . 51130 1 22 . 1 . 1 11 11 ASP N N 15 116.291 . . 1 . . . . . 477 ASP N . 51130 1 23 . 1 . 1 12 12 LEU H H 1 6.957 . . 1 . . . . . 478 LEU H . 51130 1 24 . 1 . 1 12 12 LEU N N 15 117.640 . . 1 . . . . . 478 LEU N . 51130 1 25 . 1 . 1 13 13 LEU H H 1 8.023 . . 1 . . . . . 479 LEU H . 51130 1 26 . 1 . 1 13 13 LEU N N 15 121.488 . . 1 . . . . . 479 LEU N . 51130 1 27 . 1 . 1 15 15 ASP H H 1 8.476 . . 1 . . . . . 481 ASP H . 51130 1 28 . 1 . 1 15 15 ASP N N 15 116.525 . . 1 . . . . . 481 ASP N . 51130 1 29 . 1 . 1 16 16 LEU H H 1 7.373 . . 1 . . . . . 482 LEU H . 51130 1 30 . 1 . 1 16 16 LEU N N 15 119.744 . . 1 . . . . . 482 LEU N . 51130 1 31 . 1 . 1 17 17 GLY H H 1 9.080 . . 1 . . . . . 483 GLY H . 51130 1 32 . 1 . 1 17 17 GLY N N 15 107.910 . . 1 . . . . . 483 GLY N . 51130 1 33 . 1 . 1 18 18 GLU H H 1 8.689 . . 1 . . . . . 484 GLU H . 51130 1 34 . 1 . 1 18 18 GLU N N 15 120.282 . . 1 . . . . . 484 GLU N . 51130 1 35 . 1 . 1 19 19 GLY H H 1 10.041 . . 1 . . . . . 485 GLY H . 51130 1 36 . 1 . 1 19 19 GLY N N 15 113.382 . . 1 . . . . . 485 GLY N . 51130 1 37 . 1 . 1 20 20 PHE H H 1 9.441 . . 1 . . . . . 486 PHE H . 51130 1 38 . 1 . 1 20 20 PHE N N 15 128.082 . . 1 . . . . . 486 PHE N . 51130 1 39 . 1 . 1 21 21 ILE H H 1 8.484 . . 1 . . . . . 487 ILE H . 51130 1 40 . 1 . 1 21 21 ILE N N 15 119.197 . . 1 . . . . . 487 ILE N . 51130 1 41 . 1 . 1 22 22 LEU H H 1 8.488 . . 1 . . . . . 488 LEU H . 51130 1 42 . 1 . 1 22 22 LEU N N 15 120.252 . . 1 . . . . . 488 LEU N . 51130 1 43 . 1 . 1 23 23 ALA H H 1 7.977 . . 1 . . . . . 489 ALA H . 51130 1 44 . 1 . 1 23 23 ALA N N 15 121.520 . . 1 . . . . . 489 ALA N . 51130 1 45 . 1 . 1 24 24 CYS H H 1 7.912 . . 1 . . . . . 490 CYS H . 51130 1 46 . 1 . 1 24 24 CYS N N 15 116.103 . . 1 . . . . . 490 CYS N . 51130 1 47 . 1 . 1 25 25 LEU H H 1 8.901 . . 1 . . . . . 491 LEU H . 51130 1 48 . 1 . 1 25 25 LEU N N 15 121.093 . . 1 . . . . . 491 LEU N . 51130 1 49 . 1 . 1 26 26 GLU H H 1 8.281 . . 1 . . . . . 492 GLU H . 51130 1 50 . 1 . 1 26 26 GLU N N 15 117.256 . . 1 . . . . . 492 GLU N . 51130 1 51 . 1 . 1 27 27 TYR H H 1 7.353 . . 1 . . . . . 493 TYR H . 51130 1 52 . 1 . 1 27 27 TYR N N 15 119.604 . . 1 . . . . . 493 TYR N . 51130 1 53 . 1 . 1 28 28 TYR H H 1 7.751 . . 1 . . . . . 494 TYR H . 51130 1 54 . 1 . 1 28 28 TYR N N 15 115.182 . . 1 . . . . . 494 TYR N . 51130 1 55 . 1 . 1 29 29 HIS H H 1 7.015 . . 1 . . . . . 495 HIS H . 51130 1 56 . 1 . 1 29 29 HIS N N 15 112.762 . . 1 . . . . . 495 HIS N . 51130 1 57 . 1 . 1 30 30 TYR H H 1 9.169 . . 1 . . . . . 496 TYR H . 51130 1 58 . 1 . 1 30 30 TYR N N 15 109.960 . . 1 . . . . . 496 TYR N . 51130 1 59 . 1 . 1 31 31 ASP H H 1 7.146 . . 1 . . . . . 497 ASP H . 51130 1 60 . 1 . 1 31 31 ASP N N 15 116.694 . . 1 . . . . . 497 ASP N . 51130 1 61 . 1 . 1 33 33 GLU H H 1 7.774 . . 1 . . . . . 499 GLU H . 51130 1 62 . 1 . 1 33 33 GLU N N 15 117.014 . . 1 . . . . . 499 GLU N . 51130 1 63 . 1 . 1 34 34 GLN H H 1 7.069 . . 1 . . . . . 500 GLN H . 51130 1 64 . 1 . 1 34 34 GLN N N 15 117.159 . . 1 . . . . . 500 GLN N . 51130 1 65 . 1 . 1 35 35 VAL H H 1 7.292 . . 1 . . . . . 501 VAL H . 51130 1 66 . 1 . 1 35 35 VAL N N 15 118.060 . . 1 . . . . . 501 VAL N . 51130 1 67 . 1 . 1 36 36 ILE H H 1 8.161 . . 1 . . . . . 502 ILE H . 51130 1 68 . 1 . 1 36 36 ILE N N 15 116.773 . . 1 . . . . . 502 ILE N . 51130 1 69 . 1 . 1 37 37 ASN H H 1 8.022 . . 1 . . . . . 503 ASN H . 51130 1 70 . 1 . 1 37 37 ASN N N 15 115.420 . . 1 . . . . . 503 ASN N . 51130 1 71 . 1 . 1 39 39 ILE H H 1 7.985 . . 1 . . . . . 505 ILE H . 51130 1 72 . 1 . 1 39 39 ILE N N 15 120.107 . . 1 . . . . . 505 ILE N . 51130 1 73 . 1 . 1 40 40 LEU H H 1 8.648 . . 1 . . . . . 506 LEU H . 51130 1 74 . 1 . 1 40 40 LEU N N 15 121.068 . . 1 . . . . . 506 LEU N . 51130 1 75 . 1 . 1 41 41 GLU H H 1 8.013 . . 1 . . . . . 507 GLU H . 51130 1 76 . 1 . 1 41 41 GLU N N 15 114.132 . . 1 . . . . . 507 GLU N . 51130 1 77 . 1 . 1 42 42 GLU H H 1 7.713 . . 1 . . . . . 508 GLU H . 51130 1 78 . 1 . 1 42 42 GLU N N 15 117.038 . . 1 . . . . . 508 GLU N . 51130 1 79 . 1 . 1 43 43 ARG H H 1 8.636 . . 1 . . . . . 509 ARG H . 51130 1 80 . 1 . 1 43 43 ARG N N 15 119.025 . . 1 . . . . . 509 ARG N . 51130 1 81 . 1 . 1 44 44 LEU H H 1 7.685 . . 1 . . . . . 510 LEU H . 51130 1 82 . 1 . 1 44 44 LEU N N 15 119.826 . . 1 . . . . . 510 LEU N . 51130 1 83 . 1 . 1 45 45 ALA H H 1 6.591 . . 1 . . . . . 511 ALA H . 51130 1 84 . 1 . 1 45 45 ALA N N 15 123.734 . . 1 . . . . . 511 ALA N . 51130 1 85 . 1 . 1 48 48 LEU H H 1 7.109 . . 1 . . . . . 514 LEU H . 51130 1 86 . 1 . 1 48 48 LEU N N 15 119.345 . . 1 . . . . . 514 LEU N . 51130 1 87 . 1 . 1 49 49 SER H H 1 7.973 . . 1 . . . . . 515 SER H . 51130 1 88 . 1 . 1 49 49 SER N N 15 113.686 . . 1 . . . . . 515 SER N . 51130 1 89 . 1 . 1 50 50 GLN H H 1 7.438 . . 1 . . . . . 516 GLN H . 51130 1 90 . 1 . 1 50 50 GLN N N 15 116.677 . . 1 . . . . . 516 GLN N . 51130 1 91 . 1 . 1 51 51 LEU H H 1 7.152 . . 1 . . . . . 517 LEU H . 51130 1 92 . 1 . 1 51 51 LEU N N 15 120.023 . . 1 . . . . . 517 LEU N . 51130 1 93 . 1 . 1 52 52 ASP H H 1 8.312 . . 1 . . . . . 518 ASP H . 51130 1 94 . 1 . 1 52 52 ASP N N 15 121.139 . . 1 . . . . . 518 ASP N . 51130 1 95 . 1 . 1 53 53 ARG H H 1 8.241 . . 1 . . . . . 519 ARG H . 51130 1 96 . 1 . 1 53 53 ARG N N 15 125.010 . . 1 . . . . . 519 ARG N . 51130 1 97 . 1 . 1 54 54 ASN H H 1 8.539 . . 1 . . . . . 520 ASN H . 51130 1 98 . 1 . 1 54 54 ASN N N 15 113.626 . . 1 . . . . . 520 ASN N . 51130 1 99 . 1 . 1 55 55 LEU H H 1 7.133 . . 1 . . . . . 521 LEU H . 51130 1 100 . 1 . 1 55 55 LEU N N 15 126.924 . . 1 . . . . . 521 LEU N . 51130 1 stop_ save_ save_chem_shift_perturbation_1 _Chem_shift_perturbation_list.Sf_category chem_shift_perturbation _Chem_shift_perturbation_list.Sf_framecode chem_shift_perturbation_1 _Chem_shift_perturbation_list.Entry_ID 51130 _Chem_shift_perturbation_list.ID 1 _Chem_shift_perturbation_list.Name '15N ASCC2 CUE (467-521) with 0 or 681 uM monoubiquitin' _Chem_shift_perturbation_list.Type 'macromolecular binding' _Chem_shift_perturbation_list.Entity_assembly_ID . _Chem_shift_perturbation_list.Titrated_entity_assembly_name . _Chem_shift_perturbation_list.Sample_condition_list_ID 1 _Chem_shift_perturbation_list.Sample_condition_list_label $sample_conditions_1 _Chem_shift_perturbation_list.Chem_shift_ref_set_ID 1 _Chem_shift_perturbation_list.Chem_shift_ref_set_label $chem_shift_reference_1 _Chem_shift_perturbation_list.Details . _Chem_shift_perturbation_list.Text_data_format . _Chem_shift_perturbation_list.Text_data . loop_ _Chem_shift_perturbation_experiment.Experiment_ID _Chem_shift_perturbation_experiment.Experiment_name _Chem_shift_perturbation_experiment.Sample_ID _Chem_shift_perturbation_experiment.Sample_label _Chem_shift_perturbation_experiment.Sample_state _Chem_shift_perturbation_experiment.Entry_ID _Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID 1 '2D 1H-15N HSQC' . . . 51130 1 stop_ loop_ _Chem_shift_perturbation_software.Software_ID _Chem_shift_perturbation_software.Software_label _Chem_shift_perturbation_software.Method_ID _Chem_shift_perturbation_software.Method_label _Chem_shift_perturbation_software.Entry_ID _Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID 1 $software_1 . . 51130 1 stop_ loop_ _Chem_shift_perturbation.ID _Chem_shift_perturbation.Assembly_atom_ID _Chem_shift_perturbation.Entity_assembly_ID _Chem_shift_perturbation.Entity_ID _Chem_shift_perturbation.Comp_index_ID _Chem_shift_perturbation.Seq_ID _Chem_shift_perturbation.Comp_ID _Chem_shift_perturbation.Atom_ID _Chem_shift_perturbation.Atom_type _Chem_shift_perturbation.Atom_isotope_number _Chem_shift_perturbation.Titration_value _Chem_shift_perturbation.Titration_value_err _Chem_shift_perturbation.Chem_shift_val _Chem_shift_perturbation.Chem_shift_val_err _Chem_shift_perturbation.Difference_chem_shift_val _Chem_shift_perturbation.Difference_chem_shift_val_err _Chem_shift_perturbation.Resonance_ID _Chem_shift_perturbation.Auth_entity_assembly_ID _Chem_shift_perturbation.Auth_seq_ID _Chem_shift_perturbation.Auth_comp_ID _Chem_shift_perturbation.Auth_atom_ID _Chem_shift_perturbation.Entry_ID _Chem_shift_perturbation.Chem_shift_perturbation_list_ID 1 . 1 1 1 1 GLU N N 15 . . . . 0.02133 . . . 467 GLU . 51130 1 2 . 1 1 2 2 LEU N N 15 . . . . 0.03955 . . . 468 LEU . 51130 1 3 . 1 1 3 3 ASP N N 15 . . . . 0.03747 . . . 469 ASP . 51130 1 4 . 1 1 4 4 SER N N 15 . . . . 0.02469 . . . 470 SER . 51130 1 5 . 1 1 5 5 LEU N N 15 . . . . 0.03128 . . . 471 LEU . 51130 1 6 . 1 1 6 6 ILE N N 15 . . . . 0.01900 . . . 472 ILE . 51130 1 7 . 1 1 7 7 SER N N 15 . . . . 0.02806 . . . 473 SER . 51130 1 8 . 1 1 8 8 GLN N N 15 . . . . 0.06400 . . . 474 GLN . 51130 1 9 . 1 1 9 9 VAL N N 15 . . . . 0.04695 . . . 475 VAL . 51130 1 10 . 1 1 10 10 LYS N N 15 . . . . 0.03062 . . . 476 LYS . 51130 1 11 . 1 1 11 11 ASP N N 15 . . . . 0.09867 . . . 477 ASP . 51130 1 12 . 1 1 12 12 LEU N N 15 . . . . 0.11668 . . . 478 LEU . 51130 1 13 . 1 1 13 13 LEU N N 15 . . . . 0.37009 . . . 479 LEU . 51130 1 14 . 1 1 15 15 ASP N N 15 . . . . 0.03063 . . . 481 ASP . 51130 1 15 . 1 1 16 16 LEU N N 15 . . . . 0.04862 . . . 482 LEU . 51130 1 16 . 1 1 17 17 GLY N N 15 . . . . 0.01052 . . . 483 GLY . 51130 1 17 . 1 1 18 18 GLU N N 15 . . . . 0.04103 . . . 484 GLU . 51130 1 18 . 1 1 19 19 GLY N N 15 . . . . 0.01860 . . . 485 GLY . 51130 1 19 . 1 1 20 20 PHE N N 15 . . . . 0.02536 . . . 486 PHE . 51130 1 20 . 1 1 21 21 ILE N N 15 . . . . 0.01468 . . . 487 ILE . 51130 1 21 . 1 1 22 22 LEU N N 15 . . . . 0.03056 . . . 488 LEU . 51130 1 22 . 1 1 23 23 ALA N N 15 . . . . 0.02621 . . . 489 ALA . 51130 1 23 . 1 1 24 24 CYS N N 15 . . . . 0.01897 . . . 490 CYS . 51130 1 24 . 1 1 25 25 LEU N N 15 . . . . 0.03361 . . . 491 LEU . 51130 1 25 . 1 1 26 26 GLU N N 15 . . . . 0.06588 . . . 492 GLU . 51130 1 26 . 1 1 27 27 TYR N N 15 . . . . 0.04665 . . . 493 TYR . 51130 1 27 . 1 1 28 28 TYR N N 15 . . . . 0.02543 . . . 494 TYR . 51130 1 28 . 1 1 29 29 HIS N N 15 . . . . 0.03326 . . . 495 HIS . 51130 1 29 . 1 1 30 30 TYR N N 15 . . . . 0.02278 . . . 496 TYR . 51130 1 30 . 1 1 31 31 ASP N N 15 . . . . 0.01139 . . . 497 ASP . 51130 1 31 . 1 1 33 33 GLU N N 15 . . . . 0.11380 . . . 499 GLU . 51130 1 32 . 1 1 34 34 GLN N N 15 . . . . 0.14416 . . . 500 GLN . 51130 1 33 . 1 1 35 35 VAL N N 15 . . . . 0.04313 . . . 501 VAL . 51130 1 34 . 1 1 36 36 ILE N N 15 . . . . 0.03793 . . . 502 ILE . 51130 1 35 . 1 1 37 37 ASN N N 15 . . . . 0.03169 . . . 503 ASN . 51130 1 36 . 1 1 39 39 ILE N N 15 . . . . 0.01597 . . . 505 ILE . 51130 1 37 . 1 1 40 40 LEU N N 15 . . . . 0.31855 . . . 506 LEU . 51130 1 38 . 1 1 41 41 GLU N N 15 . . . . 0.05628 . . . 507 GLU . 51130 1 39 . 1 1 42 42 GLU N N 15 . . . . 0.03366 . . . 508 GLU . 51130 1 40 . 1 1 43 43 ARG N N 15 . . . . 0.13992 . . . 509 ARG . 51130 1 41 . 1 1 44 44 LEU N N 15 . . . . 0.02285 . . . 510 LEU . 51130 1 42 . 1 1 45 45 ALA N N 15 . . . . 0.07117 . . . 511 ALA . 51130 1 43 . 1 1 48 48 LEU N N 15 . . . . 0.00657 . . . 514 LEU . 51130 1 44 . 1 1 49 49 SER N N 15 . . . . 0.00747 . . . 515 SER . 51130 1 45 . 1 1 50 50 GLN N N 15 . . . . 0.01811 . . . 516 GLN . 51130 1 46 . 1 1 51 51 LEU N N 15 . . . . 0.02389 . . . 517 LEU . 51130 1 47 . 1 1 52 52 ASP N N 15 . . . . 0.00188 . . . 518 ASP . 51130 1 48 . 1 1 53 53 ARG N N 15 . . . . 0.00853 . . . 519 ARG . 51130 1 49 . 1 1 54 54 ASN N N 15 . . . . 0.02902 . . . 520 ASN . 51130 1 50 . 1 1 55 55 LEU N N 15 . . . . 0.01795 . . . 521 LEU . 51130 1 stop_ save_