data_51146 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51146 _Entry.Title ; K63-linked diubiquitin with 15N-labeled distal ubiquitin interacting with ASCC2 CUE domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-17 _Entry.Accession_date 2021-10-17 _Entry.Last_release_date 2021-10-18 _Entry.Original_release_date 2021-10-18 _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 '100 uM K63-linked diubiquitin with 15N-labeled distal ubiquitin titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _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 . . . . 51146 2 Ananya Majumdar . . . . 51146 3 Cynthia Wolberger . . . . 51146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51146 chem_shift_perturbation 1 51146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 69 51146 '1H chemical shifts' 69 51146 'molecule interaction chemical shift values' 63 51146 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 2021-10-17 update BMRB 'update entry citation' 51146 1 . . 2021-12-30 2021-10-17 original author 'original release' 51146 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51130 'ASCC2 CUE domain interaction with monoubiquitin' 51146 BMRB 51139 'ASCC2 CUE domain interaction with K63-linked diubiquitin' 51146 BMRB 51145 'K63-linked diubiquitin with 15N-labeled proximal ubiquitin interacting with ASCC2 CUE domain' 51146 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51146 _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. . . 51146 1 2 Sara Haile . . . . 51146 1 3 Timur Rusanov . . . . 51146 1 4 Rebecca Rodell . . . . 51146 1 5 Rita Anoh . . . . 51146 1 6 Julia Baer . G. . . 51146 1 7 Kate Burke . A. . . 51146 1 8 Lauren Gray . N. . . 51146 1 9 Abigail Hacker . R. . . 51146 1 10 Kayla Kebreau . R. . . 51146 1 11 Christine Ngandu . K. . . 51146 1 12 Hannah Orland . A. . . 51146 1 13 Emmanuella Osei-Asante . . . . 51146 1 14 Dhane Schmelyun . P. . . 51146 1 15 Devin Shorb . E. . . 51146 1 16 Shaheer Syed . H. . . 51146 1 17 Julianna Veilleux . M. . . 51146 1 18 Ananya Majumdar . . . . 51146 1 19 Nima Mosammaparast . . . . 51146 1 20 Cynthia Wolberger . . . . 51146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51146 _Assembly.ID 1 _Assembly.Name 'K63Ub2:ASCC2 CUE' _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 'K63-linked diubiquitin' 1 $entity_1 . . yes native no no . . . 51146 1 2 'ASCC2 CUE' 2 $entity_2 . . yes native no no . . . 51146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51146 _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGRQLEDGRTLSDYN IQRESTLHLVLRLRGGMQIF VKTLTGKTITLEVEPSDTIE NVKAKIQDKEGIPPDQQRLI FAGKQLEDGRTLSDYNIQKE STLHLVLRLRGGD ; _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 yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _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 . MET . 51146 1 2 . GLN . 51146 1 3 . ILE . 51146 1 4 . PHE . 51146 1 5 . VAL . 51146 1 6 . LYS . 51146 1 7 . THR . 51146 1 8 . LEU . 51146 1 9 . THR . 51146 1 10 . GLY . 51146 1 11 . LYS . 51146 1 12 . THR . 51146 1 13 . ILE . 51146 1 14 . THR . 51146 1 15 . LEU . 51146 1 16 . GLU . 51146 1 17 . VAL . 51146 1 18 . GLU . 51146 1 19 . PRO . 51146 1 20 . SER . 51146 1 21 . ASP . 51146 1 22 . THR . 51146 1 23 . ILE . 51146 1 24 . GLU . 51146 1 25 . ASN . 51146 1 26 . VAL . 51146 1 27 . LYS . 51146 1 28 . ALA . 51146 1 29 . LYS . 51146 1 30 . ILE . 51146 1 31 . GLN . 51146 1 32 . ASP . 51146 1 33 . LYS . 51146 1 34 . GLU . 51146 1 35 . GLY . 51146 1 36 . ILE . 51146 1 37 . PRO . 51146 1 38 . PRO . 51146 1 39 . ASP . 51146 1 40 . GLN . 51146 1 41 . GLN . 51146 1 42 . ARG . 51146 1 43 . LEU . 51146 1 44 . ILE . 51146 1 45 . PHE . 51146 1 46 . ALA . 51146 1 47 . GLY . 51146 1 48 . ARG . 51146 1 49 . GLN . 51146 1 50 . LEU . 51146 1 51 . GLU . 51146 1 52 . ASP . 51146 1 53 . GLY . 51146 1 54 . ARG . 51146 1 55 . THR . 51146 1 56 . LEU . 51146 1 57 . SER . 51146 1 58 . ASP . 51146 1 59 . TYR . 51146 1 60 . ASN . 51146 1 61 . ILE . 51146 1 62 . GLN . 51146 1 63 . ARG . 51146 1 64 . GLU . 51146 1 65 . SER . 51146 1 66 . THR . 51146 1 67 . LEU . 51146 1 68 . HIS . 51146 1 69 . LEU . 51146 1 70 . VAL . 51146 1 71 . LEU . 51146 1 72 . ARG . 51146 1 73 . LEU . 51146 1 74 . ARG . 51146 1 75 . GLY . 51146 1 76 . GLY . 51146 1 77 . MET . 51146 1 78 . GLN . 51146 1 79 . ILE . 51146 1 80 . PHE . 51146 1 81 . VAL . 51146 1 82 . LYS . 51146 1 83 . THR . 51146 1 84 . LEU . 51146 1 85 . THR . 51146 1 86 . GLY . 51146 1 87 . LYS . 51146 1 88 . THR . 51146 1 89 . ILE . 51146 1 90 . THR . 51146 1 91 . LEU . 51146 1 92 . GLU . 51146 1 93 . VAL . 51146 1 94 . GLU . 51146 1 95 . PRO . 51146 1 96 . SER . 51146 1 97 . ASP . 51146 1 98 . THR . 51146 1 99 . ILE . 51146 1 100 . GLU . 51146 1 101 . ASN . 51146 1 102 . VAL . 51146 1 103 . LYS . 51146 1 104 . ALA . 51146 1 105 . LYS . 51146 1 106 . ILE . 51146 1 107 . GLN . 51146 1 108 . ASP . 51146 1 109 . LYS . 51146 1 110 . GLU . 51146 1 111 . GLY . 51146 1 112 . ILE . 51146 1 113 . PRO . 51146 1 114 . PRO . 51146 1 115 . ASP . 51146 1 116 . GLN . 51146 1 117 . GLN . 51146 1 118 . ARG . 51146 1 119 . LEU . 51146 1 120 . ILE . 51146 1 121 . PHE . 51146 1 122 . ALA . 51146 1 123 . GLY . 51146 1 124 . LYS . 51146 1 125 . GLN . 51146 1 126 . LEU . 51146 1 127 . GLU . 51146 1 128 . ASP . 51146 1 129 . GLY . 51146 1 130 . ARG . 51146 1 131 . THR . 51146 1 132 . LEU . 51146 1 133 . SER . 51146 1 134 . ASP . 51146 1 135 . TYR . 51146 1 136 . ASN . 51146 1 137 . ILE . 51146 1 138 . GLN . 51146 1 139 . LYS . 51146 1 140 . GLU . 51146 1 141 . SER . 51146 1 142 . THR . 51146 1 143 . LEU . 51146 1 144 . HIS . 51146 1 145 . LEU . 51146 1 146 . VAL . 51146 1 147 . LEU . 51146 1 148 . ARG . 51146 1 149 . LEU . 51146 1 150 . ARG . 51146 1 151 . GLY . 51146 1 152 . GLY . 51146 1 153 . ASP . 51146 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 . MET 1 1 51146 1 . GLN 2 2 51146 1 . ILE 3 3 51146 1 . PHE 4 4 51146 1 . VAL 5 5 51146 1 . LYS 6 6 51146 1 . THR 7 7 51146 1 . LEU 8 8 51146 1 . THR 9 9 51146 1 . GLY 10 10 51146 1 . LYS 11 11 51146 1 . THR 12 12 51146 1 . ILE 13 13 51146 1 . THR 14 14 51146 1 . LEU 15 15 51146 1 . GLU 16 16 51146 1 . VAL 17 17 51146 1 . GLU 18 18 51146 1 . PRO 19 19 51146 1 . SER 20 20 51146 1 . ASP 21 21 51146 1 . THR 22 22 51146 1 . ILE 23 23 51146 1 . GLU 24 24 51146 1 . ASN 25 25 51146 1 . VAL 26 26 51146 1 . LYS 27 27 51146 1 . ALA 28 28 51146 1 . LYS 29 29 51146 1 . ILE 30 30 51146 1 . GLN 31 31 51146 1 . ASP 32 32 51146 1 . LYS 33 33 51146 1 . GLU 34 34 51146 1 . GLY 35 35 51146 1 . ILE 36 36 51146 1 . PRO 37 37 51146 1 . PRO 38 38 51146 1 . ASP 39 39 51146 1 . GLN 40 40 51146 1 . GLN 41 41 51146 1 . ARG 42 42 51146 1 . LEU 43 43 51146 1 . ILE 44 44 51146 1 . PHE 45 45 51146 1 . ALA 46 46 51146 1 . GLY 47 47 51146 1 . ARG 48 48 51146 1 . GLN 49 49 51146 1 . LEU 50 50 51146 1 . GLU 51 51 51146 1 . ASP 52 52 51146 1 . GLY 53 53 51146 1 . ARG 54 54 51146 1 . THR 55 55 51146 1 . LEU 56 56 51146 1 . SER 57 57 51146 1 . ASP 58 58 51146 1 . TYR 59 59 51146 1 . ASN 60 60 51146 1 . ILE 61 61 51146 1 . GLN 62 62 51146 1 . ARG 63 63 51146 1 . GLU 64 64 51146 1 . SER 65 65 51146 1 . THR 66 66 51146 1 . LEU 67 67 51146 1 . HIS 68 68 51146 1 . LEU 69 69 51146 1 . VAL 70 70 51146 1 . LEU 71 71 51146 1 . ARG 72 72 51146 1 . LEU 73 73 51146 1 . ARG 74 74 51146 1 . GLY 75 75 51146 1 . GLY 76 76 51146 1 . MET 77 77 51146 1 . GLN 78 78 51146 1 . ILE 79 79 51146 1 . PHE 80 80 51146 1 . VAL 81 81 51146 1 . LYS 82 82 51146 1 . THR 83 83 51146 1 . LEU 84 84 51146 1 . THR 85 85 51146 1 . GLY 86 86 51146 1 . LYS 87 87 51146 1 . THR 88 88 51146 1 . ILE 89 89 51146 1 . THR 90 90 51146 1 . LEU 91 91 51146 1 . GLU 92 92 51146 1 . VAL 93 93 51146 1 . GLU 94 94 51146 1 . PRO 95 95 51146 1 . SER 96 96 51146 1 . ASP 97 97 51146 1 . THR 98 98 51146 1 . ILE 99 99 51146 1 . GLU 100 100 51146 1 . ASN 101 101 51146 1 . VAL 102 102 51146 1 . LYS 103 103 51146 1 . ALA 104 104 51146 1 . LYS 105 105 51146 1 . ILE 106 106 51146 1 . GLN 107 107 51146 1 . ASP 108 108 51146 1 . LYS 109 109 51146 1 . GLU 110 110 51146 1 . GLY 111 111 51146 1 . ILE 112 112 51146 1 . PRO 113 113 51146 1 . PRO 114 114 51146 1 . ASP 115 115 51146 1 . GLN 116 116 51146 1 . GLN 117 117 51146 1 . ARG 118 118 51146 1 . LEU 119 119 51146 1 . ILE 120 120 51146 1 . PHE 121 121 51146 1 . ALA 122 122 51146 1 . GLY 123 123 51146 1 . LYS 124 124 51146 1 . GLN 125 125 51146 1 . LEU 126 126 51146 1 . GLU 127 127 51146 1 . ASP 128 128 51146 1 . GLY 129 129 51146 1 . ARG 130 130 51146 1 . THR 131 131 51146 1 . LEU 132 132 51146 1 . SER 133 133 51146 1 . ASP 134 134 51146 1 . TYR 135 135 51146 1 . ASN 136 136 51146 1 . ILE 137 137 51146 1 . GLN 138 138 51146 1 . LYS 139 139 51146 1 . GLU 140 140 51146 1 . SER 141 141 51146 1 . THR 142 142 51146 1 . LEU 143 143 51146 1 . HIS 144 144 51146 1 . LEU 145 145 51146 1 . VAL 146 146 51146 1 . LEU 147 147 51146 1 . ARG 148 148 51146 1 . LEU 149 149 51146 1 . ARG 150 150 51146 1 . GLY 151 151 51146 1 . GLY 152 152 51146 1 . ASP 153 153 51146 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51146 _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 ; ELDSLISQVKDLLPDLGEGF ILACLEYYHYDPEQVINNIL EERLAPTLSQLDRNL ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'CUE 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_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 . GLU . 51146 2 2 . LEU . 51146 2 3 . ASP . 51146 2 4 . SER . 51146 2 5 . LEU . 51146 2 6 . ILE . 51146 2 7 . SER . 51146 2 8 . GLN . 51146 2 9 . VAL . 51146 2 10 . LYS . 51146 2 11 . ASP . 51146 2 12 . LEU . 51146 2 13 . LEU . 51146 2 14 . PRO . 51146 2 15 . ASP . 51146 2 16 . LEU . 51146 2 17 . GLY . 51146 2 18 . GLU . 51146 2 19 . GLY . 51146 2 20 . PHE . 51146 2 21 . ILE . 51146 2 22 . LEU . 51146 2 23 . ALA . 51146 2 24 . CYS . 51146 2 25 . LEU . 51146 2 26 . GLU . 51146 2 27 . TYR . 51146 2 28 . TYR . 51146 2 29 . HIS . 51146 2 30 . TYR . 51146 2 31 . ASP . 51146 2 32 . PRO . 51146 2 33 . GLU . 51146 2 34 . GLN . 51146 2 35 . VAL . 51146 2 36 . ILE . 51146 2 37 . ASN . 51146 2 38 . ASN . 51146 2 39 . ILE . 51146 2 40 . LEU . 51146 2 41 . GLU . 51146 2 42 . GLU . 51146 2 43 . ARG . 51146 2 44 . LEU . 51146 2 45 . ALA . 51146 2 46 . PRO . 51146 2 47 . THR . 51146 2 48 . LEU . 51146 2 49 . SER . 51146 2 50 . GLN . 51146 2 51 . LEU . 51146 2 52 . ASP . 51146 2 53 . ARG . 51146 2 54 . ASN . 51146 2 55 . LEU . 51146 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 . GLU 1 1 51146 2 . LEU 2 2 51146 2 . ASP 3 3 51146 2 . SER 4 4 51146 2 . LEU 5 5 51146 2 . ILE 6 6 51146 2 . SER 7 7 51146 2 . GLN 8 8 51146 2 . VAL 9 9 51146 2 . LYS 10 10 51146 2 . ASP 11 11 51146 2 . LEU 12 12 51146 2 . LEU 13 13 51146 2 . PRO 14 14 51146 2 . ASP 15 15 51146 2 . LEU 16 16 51146 2 . GLY 17 17 51146 2 . GLU 18 18 51146 2 . GLY 19 19 51146 2 . PHE 20 20 51146 2 . ILE 21 21 51146 2 . LEU 22 22 51146 2 . ALA 23 23 51146 2 . CYS 24 24 51146 2 . LEU 25 25 51146 2 . GLU 26 26 51146 2 . TYR 27 27 51146 2 . TYR 28 28 51146 2 . HIS 29 29 51146 2 . TYR 30 30 51146 2 . ASP 31 31 51146 2 . PRO 32 32 51146 2 . GLU 33 33 51146 2 . GLN 34 34 51146 2 . VAL 35 35 51146 2 . ILE 36 36 51146 2 . ASN 37 37 51146 2 . ASN 38 38 51146 2 . ILE 39 39 51146 2 . LEU 40 40 51146 2 . GLU 41 41 51146 2 . GLU 42 42 51146 2 . ARG 43 43 51146 2 . LEU 44 44 51146 2 . ALA 45 45 51146 2 . PRO 46 46 51146 2 . THR 47 47 51146 2 . LEU 48 48 51146 2 . SER 49 49 51146 2 . GLN 50 50 51146 2 . LEU 51 51 51146 2 . ASP 52 52 51146 2 . ARG 53 53 51146 2 . ASN 54 54 51146 2 . LEU 55 55 51146 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 51146 _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 . . . . . . . . . . . . . 51146 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51146 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 51146 _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 . . pET-3a . . . 51146 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pPROEx-HTa . . . 51146 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51146 _Sample.ID 1 _Sample.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin) interacting with the ASCC2 CUE domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _Sample.Aggregate_sample_number 5 _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' 'natural abundance' . . 2 $entity_2 . . 500 . . uM . . . . 51146 1 2 'K63-linked diubiquitin' [U-15N] . . 1 $entity_1 . . 100 . . uM . . . . 51146 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51146 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51146 1 5 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51146 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51146 _Sample.ID 2 _Sample.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin) interacting with the ASCC2 CUE domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _Sample.Aggregate_sample_number 5 _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' 'natural abundance' . . 2 $entity_2 . . 500 . . uM . . . . 51146 2 2 'K63-linked diubiquitin' [U-15N] . . 1 $entity_1 . . 100 . . uM . . . . 51146 2 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51146 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51146 2 5 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51146 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51146 _Sample.ID 3 _Sample.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin) interacting with the ASCC2 CUE domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _Sample.Aggregate_sample_number 5 _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' 'natural abundance' . . 2 $entity_2 . . 100 . . uM . . . . 51146 3 2 'K63-linked diubiquitin' [U-15N] . . 1 $entity_1 . . 100 . . uM . . . . 51146 3 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51146 3 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51146 3 5 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51146 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51146 _Sample.ID 4 _Sample.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin) interacting with the ASCC2 CUE domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _Sample.Aggregate_sample_number 5 _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' 'natural abundance' . . 2 $entity_2 . . 30 . . uM . . . . 51146 4 2 'K63-linked diubiquitin' [U-15N] . . 1 $entity_1 . . 100 . . uM . . . . 51146 4 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51146 4 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51146 4 5 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51146 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51146 _Sample.ID 5 _Sample.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin) interacting with the ASCC2 CUE domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) titrated with 0, 30, 100, 200, and 500 uM ASCC2 CUE domain.' _Sample.Aggregate_sample_number 5 _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 'K63-linked diubiquitin' [U-15N] . . 1 $entity_1 . . 100 . . uM . . . . 51146 5 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51146 5 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51146 5 4 TCEP 'natural abundance' . . . . . . 200 . . mM . . . . 51146 5 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 51146 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM Tris pH 7.0, 100 mM NaCl, 200 uM TCEP' _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' 0.11 . M 51146 1 pH 7.0 . pH 51146 1 pressure 1 . atm 51146 1 temperature 293 . K 51146 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51146 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51146 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51146 _Software.ID 2 _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' . 51146 2 'data analysis' . 51146 2 'peak picking' . 51146 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 51146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE II' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _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 51146 _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 . . . . . . . . . . . . . . . . . 51146 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' 100uM_K63Ub2_15N_dist_0uM_ASCC2_ser . 'Time-domain (raw spectral data)' . '100 uM K63-linked diubiquitin (15N-labeld distal ubiquitin) and 0 uM ASCC2 CUE domain' 51146 1 1 '2D 1H-15N HSQC' 100uM_K63Ub2_15N_dist_100uM_ASCC2_ser . 'Time-domain (raw spectral data)' . '100 uM K63-linked diubiquitin (15N-labeld distal ubiquitin) and 100 uM ASCC2 CUE domain' 51146 1 1 '2D 1H-15N HSQC' 100uM_K63Ub2_15N_dist_200uM_ASCC2_ser . 'Time-domain (raw spectral data)' . '100 uM K63-linked diubiquitin (15N-labeld distal ubiquitin) and 200 uM ASCC2 CUE domain' 51146 1 1 '2D 1H-15N HSQC' 100uM_K63Ub2_15N_dist_30uM_ASCC2_ser . 'Time-domain (raw spectral data)' . '100 uM K63-linked diubiquitin (15N-labeld distal ubiquitin) and 30 uM ASCC2 CUE domain' 51146 1 1 '2D 1H-15N HSQC' 100uM_K63Ub2_15N_dist_500uM_ASCC2_ser . 'Time-domain (raw spectral data)' . '100 uM K63-linked diubiquitin (15N-labeld distal ubiquitin) and 500 uM ASCC2 CUE domain' 51146 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 51146 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin)' _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 . . . . . 51146 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . 51146 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 51146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'K63-linked diubiquitin (15N-labeled distal ubiquitin)' _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' . . . 51146 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 . . 51146 1 2 $software_2 . . 51146 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 2 2 GLN H H 1 8.84116 . . 1 . . . . . 2 GLN H . 51146 1 2 . 1 . 1 2 2 GLN N N 15 122.94554 . . 1 . . . . . 2 GLN N . 51146 1 3 . 1 . 1 3 3 ILE H H 1 8.26159 . . 1 . . . . . 3 ILE H . 51146 1 4 . 1 . 1 3 3 ILE N N 15 115.09684 . . 1 . . . . . 3 ILE N . 51146 1 5 . 1 . 1 4 4 PHE H H 1 8.56740 . . 1 . . . . . 4 PHE H . 51146 1 6 . 1 . 1 4 4 PHE N N 15 118.64521 . . 1 . . . . . 4 PHE N . 51146 1 7 . 1 . 1 5 5 VAL H H 1 9.26014 . . 1 . . . . . 5 VAL H . 51146 1 8 . 1 . 1 5 5 VAL N N 15 121.39244 . . 1 . . . . . 5 VAL N . 51146 1 9 . 1 . 1 6 6 LYS H H 1 8.95413 . . 1 . . . . . 6 LYS H . 51146 1 10 . 1 . 1 6 6 LYS N N 15 128.12178 . . 1 . . . . . 6 LYS N . 51146 1 11 . 1 . 1 7 7 THR H H 1 8.69688 . . 1 . . . . . 7 THR H . 51146 1 12 . 1 . 1 7 7 THR N N 15 115.46895 . . 1 . . . . . 7 THR N . 51146 1 13 . 1 . 1 8 8 LEU H H 1 9.10615 . . 1 . . . . . 8 LEU H . 51146 1 14 . 1 . 1 8 8 LEU N N 15 121.46027 . . 1 . . . . . 8 LEU N . 51146 1 15 . 1 . 1 9 9 THR H H 1 7.60751 . . 1 . . . . . 9 THR H . 51146 1 16 . 1 . 1 9 9 THR N N 15 105.96179 . . 1 . . . . . 9 THR N . 51146 1 17 . 1 . 1 10 10 GLY H H 1 7.79719 . . 1 . . . . . 10 GLY H . 51146 1 18 . 1 . 1 10 10 GLY N N 15 109.40525 . . 1 . . . . . 10 GLY N . 51146 1 19 . 1 . 1 11 11 LYS H H 1 7.24013 . . 1 . . . . . 11 LYS H . 51146 1 20 . 1 . 1 11 11 LYS N N 15 122.06744 . . 1 . . . . . 11 LYS N . 51146 1 21 . 1 . 1 12 12 THR H H 1 8.60545 . . 1 . . . . . 12 THR H . 51146 1 22 . 1 . 1 12 12 THR N N 15 120.72491 . . 1 . . . . . 12 THR N . 51146 1 23 . 1 . 1 13 13 ILE H H 1 9.53672 . . 1 . . . . . 13 ILE H . 51146 1 24 . 1 . 1 13 13 ILE N N 15 127.94230 . . 1 . . . . . 13 ILE N . 51146 1 25 . 1 . 1 14 14 THR H H 1 8.70909 . . 1 . . . . . 14 THR H . 51146 1 26 . 1 . 1 14 14 THR N N 15 121.82252 . . 1 . . . . . 14 THR N . 51146 1 27 . 1 . 1 15 15 LEU H H 1 8.69043 . . 1 . . . . . 15 LEU H . 51146 1 28 . 1 . 1 15 15 LEU N N 15 125.20701 . . 1 . . . . . 15 LEU N . 51146 1 29 . 1 . 1 16 16 GLU H H 1 8.09282 . . 1 . . . . . 16 GLU H . 51146 1 30 . 1 . 1 16 16 GLU N N 15 122.72992 . . 1 . . . . . 16 GLU N . 51146 1 31 . 1 . 1 17 17 VAL H H 1 8.89424 . . 1 . . . . . 17 VAL H . 51146 1 32 . 1 . 1 17 17 VAL N N 15 117.64578 . . 1 . . . . . 17 VAL N . 51146 1 33 . 1 . 1 18 18 GLU H H 1 8.62143 . . 1 . . . . . 18 GLU H . 51146 1 34 . 1 . 1 18 18 GLU N N 15 119.38636 . . 1 . . . . . 18 GLU N . 51146 1 35 . 1 . 1 20 20 SER H H 1 6.99439 . . 1 . . . . . 20 SER H . 51146 1 36 . 1 . 1 20 20 SER N N 15 103.52669 . . 1 . . . . . 20 SER N . 51146 1 37 . 1 . 1 21 21 ASP H H 1 8.01958 . . 1 . . . . . 21 ASP H . 51146 1 38 . 1 . 1 21 21 ASP N N 15 124.05037 . . 1 . . . . . 21 ASP N . 51146 1 39 . 1 . 1 22 22 THR H H 1 7.84336 . . 1 . . . . . 22 THR H . 51146 1 40 . 1 . 1 22 22 THR N N 15 109.08937 . . 1 . . . . . 22 THR N . 51146 1 41 . 1 . 1 23 23 ILE H H 1 8.47944 . . 1 . . . . . 23 ILE H . 51146 1 42 . 1 . 1 23 23 ILE N N 15 121.36938 . . 1 . . . . . 23 ILE N . 51146 1 43 . 1 . 1 25 25 ASN H H 1 7.88720 . . 1 . . . . . 25 ASN H . 51146 1 44 . 1 . 1 25 25 ASN N N 15 121.53176 . . 1 . . . . . 25 ASN N . 51146 1 45 . 1 . 1 26 26 VAL H H 1 8.06592 . . 1 . . . . . 26 VAL H . 51146 1 46 . 1 . 1 26 26 VAL N N 15 122.35395 . . 1 . . . . . 26 VAL N . 51146 1 47 . 1 . 1 27 27 LYS H H 1 8.51979 . . 1 . . . . . 27 LYS H . 51146 1 48 . 1 . 1 27 27 LYS N N 15 119.09816 . . 1 . . . . . 27 LYS N . 51146 1 49 . 1 . 1 28 28 ALA H H 1 7.92752 . . 1 . . . . . 28 ALA H . 51146 1 50 . 1 . 1 28 28 ALA N N 15 123.53078 . . 1 . . . . . 28 ALA N . 51146 1 51 . 1 . 1 29 29 LYS H H 1 7.82784 . . 1 . . . . . 29 LYS H . 51146 1 52 . 1 . 1 29 29 LYS N N 15 120.38114 . . 1 . . . . . 29 LYS N . 51146 1 53 . 1 . 1 30 30 ILE H H 1 8.24969 . . 1 . . . . . 30 ILE H . 51146 1 54 . 1 . 1 30 30 ILE N N 15 121.50630 . . 1 . . . . . 30 ILE N . 51146 1 55 . 1 . 1 31 31 GLN H H 1 8.51088 . . 1 . . . . . 31 GLN H . 51146 1 56 . 1 . 1 31 31 GLN N N 15 123.62776 . . 1 . . . . . 31 GLN N . 51146 1 57 . 1 . 1 32 32 ASP H H 1 8.00330 . . 1 . . . . . 32 ASP H . 51146 1 58 . 1 . 1 32 32 ASP N N 15 119.94750 . . 1 . . . . . 32 ASP N . 51146 1 59 . 1 . 1 33 33 LYS H H 1 7.40982 . . 1 . . . . . 33 LYS H . 51146 1 60 . 1 . 1 33 33 LYS N N 15 115.69635 . . 1 . . . . . 33 LYS N . 51146 1 61 . 1 . 1 34 34 GLU H H 1 8.68343 . . 1 . . . . . 34 GLU H . 51146 1 62 . 1 . 1 34 34 GLU N N 15 114.37756 . . 1 . . . . . 34 GLU N . 51146 1 63 . 1 . 1 35 35 GLY H H 1 8.45114 . . 1 . . . . . 35 GLY H . 51146 1 64 . 1 . 1 35 35 GLY N N 15 108.95943 . . 1 . . . . . 35 GLY N . 51146 1 65 . 1 . 1 39 39 ASP H H 1 8.50815 . . 1 . . . . . 39 ASP H . 51146 1 66 . 1 . 1 39 39 ASP N N 15 113.76270 . . 1 . . . . . 39 ASP N . 51146 1 67 . 1 . 1 40 40 GLN H H 1 7.78631 . . 1 . . . . . 40 GLN H . 51146 1 68 . 1 . 1 40 40 GLN N N 15 116.97299 . . 1 . . . . . 40 GLN N . 51146 1 69 . 1 . 1 41 41 GLN H H 1 7.45073 . . 1 . . . . . 41 GLN H . 51146 1 70 . 1 . 1 41 41 GLN N N 15 118.18966 . . 1 . . . . . 41 GLN N . 51146 1 71 . 1 . 1 42 42 ARG H H 1 8.45513 . . 1 . . . . . 42 ARG H . 51146 1 72 . 1 . 1 42 42 ARG N N 15 123.25742 . . 1 . . . . . 42 ARG N . 51146 1 73 . 1 . 1 43 43 LEU H H 1 8.77550 . . 1 . . . . . 43 LEU H . 51146 1 74 . 1 . 1 43 43 LEU N N 15 124.58210 . . 1 . . . . . 43 LEU N . 51146 1 75 . 1 . 1 44 44 ILE H H 1 9.09937 . . 1 . . . . . 44 ILE H . 51146 1 76 . 1 . 1 44 44 ILE N N 15 122.47166 . . 1 . . . . . 44 ILE N . 51146 1 77 . 1 . 1 45 45 PHE H H 1 8.79905 . . 1 . . . . . 45 PHE H . 51146 1 78 . 1 . 1 45 45 PHE N N 15 124.83215 . . 1 . . . . . 45 PHE N . 51146 1 79 . 1 . 1 46 46 ALA H H 1 9.04708 . . 1 . . . . . 46 ALA H . 51146 1 80 . 1 . 1 46 46 ALA N N 15 133.59377 . . 1 . . . . . 46 ALA N . 51146 1 81 . 1 . 1 47 47 GLY H H 1 8.05803 . . 1 . . . . . 47 GLY H . 51146 1 82 . 1 . 1 47 47 GLY N N 15 102.53633 . . 1 . . . . . 47 GLY N . 51146 1 83 . 1 . 1 48 48 ARG H H 1 7.93003 . . 1 . . . . . 48 ARG H . 51146 1 84 . 1 . 1 48 48 ARG N N 15 121.61005 . . 1 . . . . . 48 ARG N . 51146 1 85 . 1 . 1 49 49 GLN H H 1 8.68140 . . 1 . . . . . 49 GLN H . 51146 1 86 . 1 . 1 49 49 GLN N N 15 123.67300 . . 1 . . . . . 49 GLN N . 51146 1 87 . 1 . 1 50 50 LEU H H 1 8.52205 . . 1 . . . . . 50 LEU H . 51146 1 88 . 1 . 1 50 50 LEU N N 15 125.65021 . . 1 . . . . . 50 LEU N . 51146 1 89 . 1 . 1 51 51 GLU H H 1 8.36040 . . 1 . . . . . 51 GLU H . 51146 1 90 . 1 . 1 51 51 GLU N N 15 123.27300 . . 1 . . . . . 51 GLU N . 51146 1 91 . 1 . 1 52 52 ASP H H 1 8.13963 . . 1 . . . . . 52 ASP H . 51146 1 92 . 1 . 1 52 52 ASP N N 15 120.54858 . . 1 . . . . . 52 ASP N . 51146 1 93 . 1 . 1 54 54 ARG H H 1 7.43632 . . 1 . . . . . 54 ARG H . 51146 1 94 . 1 . 1 54 54 ARG N N 15 119.52987 . . 1 . . . . . 54 ARG N . 51146 1 95 . 1 . 1 55 55 THR H H 1 8.79798 . . 1 . . . . . 55 THR H . 51146 1 96 . 1 . 1 55 55 THR N N 15 108.94334 . . 1 . . . . . 55 THR N . 51146 1 97 . 1 . 1 56 56 LEU H H 1 8.11711 . . 1 . . . . . 56 LEU H . 51146 1 98 . 1 . 1 56 56 LEU N N 15 118.15537 . . 1 . . . . . 56 LEU N . 51146 1 99 . 1 . 1 57 57 SER H H 1 8.44259 . . 1 . . . . . 57 SER H . 51146 1 100 . 1 . 1 57 57 SER N N 15 113.58261 . . 1 . . . . . 57 SER N . 51146 1 101 . 1 . 1 58 58 ASP H H 1 7.89041 . . 1 . . . . . 58 ASP H . 51146 1 102 . 1 . 1 58 58 ASP N N 15 124.61446 . . 1 . . . . . 58 ASP N . 51146 1 103 . 1 . 1 59 59 TYR H H 1 7.22900 . . 1 . . . . . 59 TYR H . 51146 1 104 . 1 . 1 59 59 TYR N N 15 115.88411 . . 1 . . . . . 59 TYR N . 51146 1 105 . 1 . 1 60 60 ASN H H 1 8.10273 . . 1 . . . . . 60 ASN H . 51146 1 106 . 1 . 1 60 60 ASN N N 15 115.90044 . . 1 . . . . . 60 ASN N . 51146 1 107 . 1 . 1 61 61 ILE H H 1 7.19891 . . 1 . . . . . 61 ILE H . 51146 1 108 . 1 . 1 61 61 ILE N N 15 119.04477 . . 1 . . . . . 61 ILE N . 51146 1 109 . 1 . 1 62 62 GLN H H 1 7.62108 . . 1 . . . . . 62 GLN H . 51146 1 110 . 1 . 1 62 62 GLN N N 15 125.04360 . . 1 . . . . . 62 GLN N . 51146 1 111 . 1 . 1 63 63 ARG H H 1 8.44821 . . 1 . . . . . 63 ARG H . 51146 1 112 . 1 . 1 63 63 ARG N N 15 120.60647 . . 1 . . . . . 63 ARG N . 51146 1 113 . 1 . 1 64 64 GLU H H 1 9.27242 . . 1 . . . . . 64 GLU H . 51146 1 114 . 1 . 1 64 64 GLU N N 15 115.26743 . . 1 . . . . . 64 GLU N . 51146 1 115 . 1 . 1 65 65 SER H H 1 7.69077 . . 1 . . . . . 65 SER H . 51146 1 116 . 1 . 1 65 65 SER N N 15 115.13760 . . 1 . . . . . 65 SER N . 51146 1 117 . 1 . 1 66 66 THR H H 1 8.66561 . . 1 . . . . . 66 THR H . 51146 1 118 . 1 . 1 66 66 THR N N 15 117.56368 . . 1 . . . . . 66 THR N . 51146 1 119 . 1 . 1 67 67 LEU H H 1 9.37922 . . 1 . . . . . 67 LEU H . 51146 1 120 . 1 . 1 67 67 LEU N N 15 127.94044 . . 1 . . . . . 67 LEU N . 51146 1 121 . 1 . 1 68 68 HIS H H 1 9.18857 . . 1 . . . . . 68 HIS H . 51146 1 122 . 1 . 1 68 68 HIS N N 15 119.73508 . . 1 . . . . . 68 HIS N . 51146 1 123 . 1 . 1 69 69 LEU H H 1 8.24544 . . 1 . . . . . 69 LEU H . 51146 1 124 . 1 . 1 69 69 LEU N N 15 123.84367 . . 1 . . . . . 69 LEU N . 51146 1 125 . 1 . 1 70 70 VAL H H 1 9.14337 . . 1 . . . . . 70 VAL H . 51146 1 126 . 1 . 1 70 70 VAL N N 15 126.85677 . . 1 . . . . . 70 VAL N . 51146 1 127 . 1 . 1 71 71 LEU H H 1 8.10374 . . 1 . . . . . 71 LEU H . 51146 1 128 . 1 . 1 71 71 LEU N N 15 123.27976 . . 1 . . . . . 71 LEU N . 51146 1 129 . 1 . 1 72 72 ARG H H 1 8.57151 . . 1 . . . . . 72 ARG H . 51146 1 130 . 1 . 1 72 72 ARG N N 15 123.76076 . . 1 . . . . . 72 ARG N . 51146 1 131 . 1 . 1 73 73 LEU H H 1 8.34988 . . 1 . . . . . 73 LEU H . 51146 1 132 . 1 . 1 73 73 LEU N N 15 124.55753 . . 1 . . . . . 73 LEU N . 51146 1 133 . 1 . 1 74 74 ARG H H 1 8.46469 . . 1 . . . . . 74 ARG H . 51146 1 134 . 1 . 1 74 74 ARG N N 15 122.34507 . . 1 . . . . . 74 ARG N . 51146 1 135 . 1 . 1 75 75 GLY H H 1 8.56338 . . 1 . . . . . 75 GLY H . 51146 1 136 . 1 . 1 75 75 GLY N N 15 111.10401 . . 1 . . . . . 75 GLY N . 51146 1 137 . 1 . 1 76 76 GLY H H 1 8.32904 . . 1 . . . . . 76 GLY H . 51146 1 138 . 1 . 1 76 76 GLY N N 15 109.37448 . . 1 . . . . . 76 GLY N . 51146 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 51146 _Chem_shift_perturbation_list.ID 1 _Chem_shift_perturbation_list.Name '100 uM K63-linked diubiquitin (15N-labeled distal ubiquitin) with 0, 30, 100, 200 500 uM ASCC2 CUE domain' _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' . . . 51146 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 2 $software_2 . . 51146 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 2 2 GLN N N 15 . . . . 0.03338 . . . 2 GLN . 51146 1 2 . 1 1 3 3 ILE N N 15 . . . . 0.00856 . . . 3 ILE . 51146 1 3 . 1 1 4 4 PHE N N 15 . . . . 0.05387 . . . 4 PHE . 51146 1 4 . 1 1 5 5 VAL N N 15 . . . . 0.06729 . . . 5 VAL . 51146 1 5 . 1 1 6 6 LYS N N 15 . . . . 0.09327 . . . 6 LYS . 51146 1 6 . 1 1 7 7 THR N N 15 . . . . 0.03159 . . . 7 THR . 51146 1 7 . 1 1 8 8 LEU N N 15 . . . . 0.11713 . . . 8 LEU . 51146 1 8 . 1 1 9 9 THR N N 15 . . . . 0.0634 . . . 9 THR . 51146 1 9 . 1 1 10 10 GLY N N 15 . . . . 0.00608 . . . 10 GLY . 51146 1 10 . 1 1 11 11 LYS N N 15 . . . . 0.12026 . . . 11 LYS . 51146 1 11 . 1 1 12 12 THR N N 15 . . . . 0.01189 . . . 12 THR . 51146 1 12 . 1 1 13 13 ILE N N 15 . . . . 0.17999 . . . 13 ILE . 51146 1 13 . 1 1 14 14 THR N N 15 . . . . 0.09512 . . . 14 THR . 51146 1 14 . 1 1 15 15 LEU N N 15 . . . . 0.04876 . . . 15 LEU . 51146 1 15 . 1 1 16 16 GLU N N 15 . . . . 0.01639 . . . 16 GLU . 51146 1 16 . 1 1 17 17 VAL N N 15 . . . . 0.01829 . . . 17 VAL . 51146 1 17 . 1 1 18 18 GLU N N 15 . . . . 0.00229 . . . 18 GLU . 51146 1 18 . 1 1 20 20 SER N N 15 . . . . 0.01075 . . . 20 SER . 51146 1 19 . 1 1 21 21 ASP N N 15 . . . . 0.01096 . . . 21 ASP . 51146 1 20 . 1 1 22 22 THR N N 15 . . . . 0.00746 . . . 22 THR . 51146 1 21 . 1 1 23 23 ILE N N 15 . . . . 0.08731 . . . 23 ILE . 51146 1 22 . 1 1 25 25 ASN N N 15 . . . . 0.05686 . . . 25 ASN . 51146 1 23 . 1 1 26 26 VAL N N 15 . . . . 0.05165 . . . 26 VAL . 51146 1 24 . 1 1 27 27 LYS N N 15 . . . . 0.03004 . . . 27 LYS . 51146 1 25 . 1 1 28 28 ALA N N 15 . . . . 0.01713 . . . 28 ALA . 51146 1 26 . 1 1 29 29 LYS N N 15 . . . . 0.08115 . . . 29 LYS . 51146 1 27 . 1 1 30 30 ILE N N 15 . . . . 0.03129 . . . 30 ILE . 51146 1 28 . 1 1 31 31 GLN N N 15 . . . . 0.0264 . . . 31 GLN . 51146 1 29 . 1 1 32 32 ASP N N 15 . . . . 0.08554 . . . 32 ASP . 51146 1 30 . 1 1 33 33 LYS N N 15 . . . . 0.07109 . . . 33 LYS . 51146 1 31 . 1 1 34 34 GLU N N 15 . . . . 0.0569 . . . 34 GLU . 51146 1 32 . 1 1 35 35 GLY N N 15 . . . . 0.03179 . . . 35 GLY . 51146 1 33 . 1 1 39 39 ASP N N 15 . . . . 0.03012 . . . 39 ASP . 51146 1 34 . 1 1 40 40 GLN N N 15 . . . . 0.0933 . . . 40 GLN . 51146 1 35 . 1 1 41 41 GLN N N 15 . . . . 0.07278 . . . 41 GLN . 51146 1 36 . 1 1 43 43 LEU N N 15 . . . . 0.11054 . . . 43 LEU . 51146 1 37 . 1 1 44 44 ILE N N 15 . . . . 0.16553 . . . 44 ILE . 51146 1 38 . 1 1 45 45 PHE N N 15 . . . . 0.03673 . . . 45 PHE . 51146 1 39 . 1 1 46 46 ALA N N 15 . . . . 0.125 . . . 46 ALA . 51146 1 40 . 1 1 47 47 GLY N N 15 . . . . 0.29251 . . . 47 GLY . 51146 1 41 . 1 1 49 49 GLN N N 15 . . . . 0.07559 . . . 49 GLN . 51146 1 42 . 1 1 50 50 LEU N N 15 . . . . 0.05781 . . . 50 LEU . 51146 1 43 . 1 1 51 51 GLU N N 15 . . . . 0.07788 . . . 51 GLU . 51146 1 44 . 1 1 52 52 ASP N N 15 . . . . 0.11804 . . . 52 ASP . 51146 1 45 . 1 1 54 54 ARG N N 15 . . . . 0.02119 . . . 54 ARG . 51146 1 46 . 1 1 55 55 THR N N 15 . . . . 0.06813 . . . 55 THR . 51146 1 47 . 1 1 56 56 LEU N N 15 . . . . 0.02557 . . . 56 LEU . 51146 1 48 . 1 1 57 57 SER N N 15 . . . . 0.02721 . . . 57 SER . 51146 1 49 . 1 1 58 58 ASP N N 15 . . . . 0.01982 . . . 58 ASP . 51146 1 50 . 1 1 59 59 TYR N N 15 . . . . 0.02139 . . . 59 TYR . 51146 1 51 . 1 1 60 60 ASN N N 15 . . . . 0.0105 . . . 60 ASN . 51146 1 52 . 1 1 61 61 ILE N N 15 . . . . 0.02406 . . . 61 ILE . 51146 1 53 . 1 1 62 62 GLN N N 15 . . . . 0.02563 . . . 62 GLN . 51146 1 54 . 1 1 63 63 ARG N N 15 . . . . 0.02997 . . . 63 ARG . 51146 1 55 . 1 1 64 64 GLU N N 15 . . . . 0.02312 . . . 64 GLU . 51146 1 56 . 1 1 65 65 SER N N 15 . . . . 0.01736 . . . 65 SER . 51146 1 57 . 1 1 66 66 THR N N 15 . . . . 0.01446 . . . 66 THR . 51146 1 58 . 1 1 67 67 LEU N N 15 . . . . 0.03032 . . . 67 LEU . 51146 1 59 . 1 1 68 68 HIS N N 15 . . . . 0.05072 . . . 68 HIS . 51146 1 60 . 1 1 69 69 LEU N N 15 . . . . 0.18493 . . . 69 LEU . 51146 1 61 . 1 1 70 70 VAL N N 15 . . . . 0.20477 . . . 70 VAL . 51146 1 62 . 1 1 75 75 GLY N N 15 . . . . 0.13468 . . . 75 GLY . 51146 1 63 . 1 1 76 76 GLY N N 15 . . . . 0.05728 . . . 76 GLY . 51146 1 stop_ save_