data_27792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27792 _Entry.Title ; Structural basis of specific H2A K13/K15 ubiquitination by RNF168 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-18 _Entry.Accession_date 2019-02-18 _Entry.Last_release_date 2019-02-18 _Entry.Original_release_date 2019-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Velten Horn . . . . 27792 2 Michael Uckelmann . . . . 27792 3 Heyi Zhang . . . . 27792 4 Jelmer Eerland . . . . 27792 5 Ivette Aarsman . . . . 27792 6 Ulric 'Le Paige' . . . . 27792 7 Chen Davidovich . . . . 27792 8 Titia Sixma . . . . 27792 9 Hugo 'van Ingen' . . . . 27792 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leiden University' . 27792 2 . 'Utrecht University' . 27792 3 . 'Netherlands Cancer Institute' . 27792 4 . 'Monash University' . 27792 5 . EMBL-Australia . 27792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 160 27792 '1H chemical shifts' 160 27792 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-04-18 . original BMRB . 27792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27786 'Complex between RNF168-RING domain and Dm. nucleosome (H2A and H2B isotope labeled)' 27792 BMRB 27791 'Complex between RNF168-RING domain and Dm. histone H2A/H2B dimer (H2A isotope labeled)' 27792 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27792 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-019-09756-z _Citation.PubMed_ID 30988309 _Citation.Full_citation . _Citation.Title ; Structural basis of specific H2A K13/K15 ubiquitination by RNF168. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1751 _Citation.Page_last 1751 _Citation.Year 2019 _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 Velten Horn . . . . 27792 1 2 Michael Uckelmann . . . . 27792 1 3 Heyi Zhang . . . . 27792 1 4 Jelmer Eerland . . . . 27792 1 5 Ivette Aarsman . . . . 27792 1 6 Ulric 'Le Paige' . . . . 27792 1 7 Chen Davidovich . . . . 27792 1 8 Titia Sixma . . . . 27792 1 9 Hugo 'van Ingen' . . . . 27792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27792 _Assembly.ID 1 _Assembly.Name 'Complex between RNF168-RING domain and Dm. histone H2A/H2B dimer (H2B isotope labeled)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 RNF168 1 $RNF168_RING A . no native no no . . 'no isotope label' 27792 1 2 'Histone H2A' 2 $Histone_H2A B . no native no no . . 2H-H2A 27792 1 3 'Histone H2B' 3 $Histone_H2B C . yes native no no . . 2H-15N-H2B 27792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNF168_RING _Entity.Sf_category entity _Entity.Sf_framecode RNF168_RING _Entity.Entry_ID 27792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNF168_RING _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 ; MALPKDAIPSLSECQCGICM EILVEPVTLPCNHTLCKPCF QSTVEKASLCCPFCRRRVSS WTRYHTRRNSLVNVELWTII QKHYPRECKLRASGQESEEV ADDYQPVRLLSKP ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 27792 1 2 . ALA . 27792 1 3 . LEU . 27792 1 4 . PRO . 27792 1 5 . LYS . 27792 1 6 . ASP . 27792 1 7 . ALA . 27792 1 8 . ILE . 27792 1 9 . PRO . 27792 1 10 . SER . 27792 1 11 . LEU . 27792 1 12 . SER . 27792 1 13 . GLU . 27792 1 14 . CYS . 27792 1 15 . GLN . 27792 1 16 . CYS . 27792 1 17 . GLY . 27792 1 18 . ILE . 27792 1 19 . CYS . 27792 1 20 . MET . 27792 1 21 . GLU . 27792 1 22 . ILE . 27792 1 23 . LEU . 27792 1 24 . VAL . 27792 1 25 . GLU . 27792 1 26 . PRO . 27792 1 27 . VAL . 27792 1 28 . THR . 27792 1 29 . LEU . 27792 1 30 . PRO . 27792 1 31 . CYS . 27792 1 32 . ASN . 27792 1 33 . HIS . 27792 1 34 . THR . 27792 1 35 . LEU . 27792 1 36 . CYS . 27792 1 37 . LYS . 27792 1 38 . PRO . 27792 1 39 . CYS . 27792 1 40 . PHE . 27792 1 41 . GLN . 27792 1 42 . SER . 27792 1 43 . THR . 27792 1 44 . VAL . 27792 1 45 . GLU . 27792 1 46 . LYS . 27792 1 47 . ALA . 27792 1 48 . SER . 27792 1 49 . LEU . 27792 1 50 . CYS . 27792 1 51 . CYS . 27792 1 52 . PRO . 27792 1 53 . PHE . 27792 1 54 . CYS . 27792 1 55 . ARG . 27792 1 56 . ARG . 27792 1 57 . ARG . 27792 1 58 . VAL . 27792 1 59 . SER . 27792 1 60 . SER . 27792 1 61 . TRP . 27792 1 62 . THR . 27792 1 63 . ARG . 27792 1 64 . TYR . 27792 1 65 . HIS . 27792 1 66 . THR . 27792 1 67 . ARG . 27792 1 68 . ARG . 27792 1 69 . ASN . 27792 1 70 . SER . 27792 1 71 . LEU . 27792 1 72 . VAL . 27792 1 73 . ASN . 27792 1 74 . VAL . 27792 1 75 . GLU . 27792 1 76 . LEU . 27792 1 77 . TRP . 27792 1 78 . THR . 27792 1 79 . ILE . 27792 1 80 . ILE . 27792 1 81 . GLN . 27792 1 82 . LYS . 27792 1 83 . HIS . 27792 1 84 . TYR . 27792 1 85 . PRO . 27792 1 86 . ARG . 27792 1 87 . GLU . 27792 1 88 . CYS . 27792 1 89 . LYS . 27792 1 90 . LEU . 27792 1 91 . ARG . 27792 1 92 . ALA . 27792 1 93 . SER . 27792 1 94 . GLY . 27792 1 95 . GLN . 27792 1 96 . GLU . 27792 1 97 . SER . 27792 1 98 . GLU . 27792 1 99 . GLU . 27792 1 100 . VAL . 27792 1 101 . ALA . 27792 1 102 . ASP . 27792 1 103 . ASP . 27792 1 104 . TYR . 27792 1 105 . GLN . 27792 1 106 . PRO . 27792 1 107 . VAL . 27792 1 108 . ARG . 27792 1 109 . LEU . 27792 1 110 . LEU . 27792 1 111 . SER . 27792 1 112 . LYS . 27792 1 113 . PRO . 27792 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 27792 1 . ALA 2 2 27792 1 . LEU 3 3 27792 1 . PRO 4 4 27792 1 . LYS 5 5 27792 1 . ASP 6 6 27792 1 . ALA 7 7 27792 1 . ILE 8 8 27792 1 . PRO 9 9 27792 1 . SER 10 10 27792 1 . LEU 11 11 27792 1 . SER 12 12 27792 1 . GLU 13 13 27792 1 . CYS 14 14 27792 1 . GLN 15 15 27792 1 . CYS 16 16 27792 1 . GLY 17 17 27792 1 . ILE 18 18 27792 1 . CYS 19 19 27792 1 . MET 20 20 27792 1 . GLU 21 21 27792 1 . ILE 22 22 27792 1 . LEU 23 23 27792 1 . VAL 24 24 27792 1 . GLU 25 25 27792 1 . PRO 26 26 27792 1 . VAL 27 27 27792 1 . THR 28 28 27792 1 . LEU 29 29 27792 1 . PRO 30 30 27792 1 . CYS 31 31 27792 1 . ASN 32 32 27792 1 . HIS 33 33 27792 1 . THR 34 34 27792 1 . LEU 35 35 27792 1 . CYS 36 36 27792 1 . LYS 37 37 27792 1 . PRO 38 38 27792 1 . CYS 39 39 27792 1 . PHE 40 40 27792 1 . GLN 41 41 27792 1 . SER 42 42 27792 1 . THR 43 43 27792 1 . VAL 44 44 27792 1 . GLU 45 45 27792 1 . LYS 46 46 27792 1 . ALA 47 47 27792 1 . SER 48 48 27792 1 . LEU 49 49 27792 1 . CYS 50 50 27792 1 . CYS 51 51 27792 1 . PRO 52 52 27792 1 . PHE 53 53 27792 1 . CYS 54 54 27792 1 . ARG 55 55 27792 1 . ARG 56 56 27792 1 . ARG 57 57 27792 1 . VAL 58 58 27792 1 . SER 59 59 27792 1 . SER 60 60 27792 1 . TRP 61 61 27792 1 . THR 62 62 27792 1 . ARG 63 63 27792 1 . TYR 64 64 27792 1 . HIS 65 65 27792 1 . THR 66 66 27792 1 . ARG 67 67 27792 1 . ARG 68 68 27792 1 . ASN 69 69 27792 1 . SER 70 70 27792 1 . LEU 71 71 27792 1 . VAL 72 72 27792 1 . ASN 73 73 27792 1 . VAL 74 74 27792 1 . GLU 75 75 27792 1 . LEU 76 76 27792 1 . TRP 77 77 27792 1 . THR 78 78 27792 1 . ILE 79 79 27792 1 . ILE 80 80 27792 1 . GLN 81 81 27792 1 . LYS 82 82 27792 1 . HIS 83 83 27792 1 . TYR 84 84 27792 1 . PRO 85 85 27792 1 . ARG 86 86 27792 1 . GLU 87 87 27792 1 . CYS 88 88 27792 1 . LYS 89 89 27792 1 . LEU 90 90 27792 1 . ARG 91 91 27792 1 . ALA 92 92 27792 1 . SER 93 93 27792 1 . GLY 94 94 27792 1 . GLN 95 95 27792 1 . GLU 96 96 27792 1 . SER 97 97 27792 1 . GLU 98 98 27792 1 . GLU 99 99 27792 1 . VAL 100 100 27792 1 . ALA 101 101 27792 1 . ASP 102 102 27792 1 . ASP 103 103 27792 1 . TYR 104 104 27792 1 . GLN 105 105 27792 1 . PRO 106 106 27792 1 . VAL 107 107 27792 1 . ARG 108 108 27792 1 . LEU 109 109 27792 1 . LEU 110 110 27792 1 . SER 111 111 27792 1 . LYS 112 112 27792 1 . PRO 113 113 27792 1 stop_ save_ save_Histone_H2A _Entity.Sf_category entity _Entity.Sf_framecode Histone_H2A _Entity.Entry_ID 27792 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Histone_H2A _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 ; SGRGKGGKVKGKAKSRSNRA GLQFPVGRIHRLLRKGNYAE RVGAGAPVYLAAVMEYLAAE VLELAGNAARDNKKTRIIPR HLQLAIRNDEELNKLLSGVT IAQGGVLPNIQAVLLPKKTE KKA ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _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 '2H-H2A in H2A/H2B dimer with 2H-15N-H2B' _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 . SER . 27792 2 2 . GLY . 27792 2 3 . ARG . 27792 2 4 . GLY . 27792 2 5 . LYS . 27792 2 6 . GLY . 27792 2 7 . GLY . 27792 2 8 . LYS . 27792 2 9 . VAL . 27792 2 10 . LYS . 27792 2 11 . GLY . 27792 2 12 . LYS . 27792 2 13 . ALA . 27792 2 14 . LYS . 27792 2 15 . SER . 27792 2 16 . ARG . 27792 2 17 . SER . 27792 2 18 . ASN . 27792 2 19 . ARG . 27792 2 20 . ALA . 27792 2 21 . GLY . 27792 2 22 . LEU . 27792 2 23 . GLN . 27792 2 24 . PHE . 27792 2 25 . PRO . 27792 2 26 . VAL . 27792 2 27 . GLY . 27792 2 28 . ARG . 27792 2 29 . ILE . 27792 2 30 . HIS . 27792 2 31 . ARG . 27792 2 32 . LEU . 27792 2 33 . LEU . 27792 2 34 . ARG . 27792 2 35 . LYS . 27792 2 36 . GLY . 27792 2 37 . ASN . 27792 2 38 . TYR . 27792 2 39 . ALA . 27792 2 40 . GLU . 27792 2 41 . ARG . 27792 2 42 . VAL . 27792 2 43 . GLY . 27792 2 44 . ALA . 27792 2 45 . GLY . 27792 2 46 . ALA . 27792 2 47 . PRO . 27792 2 48 . VAL . 27792 2 49 . TYR . 27792 2 50 . LEU . 27792 2 51 . ALA . 27792 2 52 . ALA . 27792 2 53 . VAL . 27792 2 54 . MET . 27792 2 55 . GLU . 27792 2 56 . TYR . 27792 2 57 . LEU . 27792 2 58 . ALA . 27792 2 59 . ALA . 27792 2 60 . GLU . 27792 2 61 . VAL . 27792 2 62 . LEU . 27792 2 63 . GLU . 27792 2 64 . LEU . 27792 2 65 . ALA . 27792 2 66 . GLY . 27792 2 67 . ASN . 27792 2 68 . ALA . 27792 2 69 . ALA . 27792 2 70 . ARG . 27792 2 71 . ASP . 27792 2 72 . ASN . 27792 2 73 . LYS . 27792 2 74 . LYS . 27792 2 75 . THR . 27792 2 76 . ARG . 27792 2 77 . ILE . 27792 2 78 . ILE . 27792 2 79 . PRO . 27792 2 80 . ARG . 27792 2 81 . HIS . 27792 2 82 . LEU . 27792 2 83 . GLN . 27792 2 84 . LEU . 27792 2 85 . ALA . 27792 2 86 . ILE . 27792 2 87 . ARG . 27792 2 88 . ASN . 27792 2 89 . ASP . 27792 2 90 . GLU . 27792 2 91 . GLU . 27792 2 92 . LEU . 27792 2 93 . ASN . 27792 2 94 . LYS . 27792 2 95 . LEU . 27792 2 96 . LEU . 27792 2 97 . SER . 27792 2 98 . GLY . 27792 2 99 . VAL . 27792 2 100 . THR . 27792 2 101 . ILE . 27792 2 102 . ALA . 27792 2 103 . GLN . 27792 2 104 . GLY . 27792 2 105 . GLY . 27792 2 106 . VAL . 27792 2 107 . LEU . 27792 2 108 . PRO . 27792 2 109 . ASN . 27792 2 110 . ILE . 27792 2 111 . GLN . 27792 2 112 . ALA . 27792 2 113 . VAL . 27792 2 114 . LEU . 27792 2 115 . LEU . 27792 2 116 . PRO . 27792 2 117 . LYS . 27792 2 118 . LYS . 27792 2 119 . THR . 27792 2 120 . GLU . 27792 2 121 . LYS . 27792 2 122 . LYS . 27792 2 123 . ALA . 27792 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 . SER 1 1 27792 2 . GLY 2 2 27792 2 . ARG 3 3 27792 2 . GLY 4 4 27792 2 . LYS 5 5 27792 2 . GLY 6 6 27792 2 . GLY 7 7 27792 2 . LYS 8 8 27792 2 . VAL 9 9 27792 2 . LYS 10 10 27792 2 . GLY 11 11 27792 2 . LYS 12 12 27792 2 . ALA 13 13 27792 2 . LYS 14 14 27792 2 . SER 15 15 27792 2 . ARG 16 16 27792 2 . SER 17 17 27792 2 . ASN 18 18 27792 2 . ARG 19 19 27792 2 . ALA 20 20 27792 2 . GLY 21 21 27792 2 . LEU 22 22 27792 2 . GLN 23 23 27792 2 . PHE 24 24 27792 2 . PRO 25 25 27792 2 . VAL 26 26 27792 2 . GLY 27 27 27792 2 . ARG 28 28 27792 2 . ILE 29 29 27792 2 . HIS 30 30 27792 2 . ARG 31 31 27792 2 . LEU 32 32 27792 2 . LEU 33 33 27792 2 . ARG 34 34 27792 2 . LYS 35 35 27792 2 . GLY 36 36 27792 2 . ASN 37 37 27792 2 . TYR 38 38 27792 2 . ALA 39 39 27792 2 . GLU 40 40 27792 2 . ARG 41 41 27792 2 . VAL 42 42 27792 2 . GLY 43 43 27792 2 . ALA 44 44 27792 2 . GLY 45 45 27792 2 . ALA 46 46 27792 2 . PRO 47 47 27792 2 . VAL 48 48 27792 2 . TYR 49 49 27792 2 . LEU 50 50 27792 2 . ALA 51 51 27792 2 . ALA 52 52 27792 2 . VAL 53 53 27792 2 . MET 54 54 27792 2 . GLU 55 55 27792 2 . TYR 56 56 27792 2 . LEU 57 57 27792 2 . ALA 58 58 27792 2 . ALA 59 59 27792 2 . GLU 60 60 27792 2 . VAL 61 61 27792 2 . LEU 62 62 27792 2 . GLU 63 63 27792 2 . LEU 64 64 27792 2 . ALA 65 65 27792 2 . GLY 66 66 27792 2 . ASN 67 67 27792 2 . ALA 68 68 27792 2 . ALA 69 69 27792 2 . ARG 70 70 27792 2 . ASP 71 71 27792 2 . ASN 72 72 27792 2 . LYS 73 73 27792 2 . LYS 74 74 27792 2 . THR 75 75 27792 2 . ARG 76 76 27792 2 . ILE 77 77 27792 2 . ILE 78 78 27792 2 . PRO 79 79 27792 2 . ARG 80 80 27792 2 . HIS 81 81 27792 2 . LEU 82 82 27792 2 . GLN 83 83 27792 2 . LEU 84 84 27792 2 . ALA 85 85 27792 2 . ILE 86 86 27792 2 . ARG 87 87 27792 2 . ASN 88 88 27792 2 . ASP 89 89 27792 2 . GLU 90 90 27792 2 . GLU 91 91 27792 2 . LEU 92 92 27792 2 . ASN 93 93 27792 2 . LYS 94 94 27792 2 . LEU 95 95 27792 2 . LEU 96 96 27792 2 . SER 97 97 27792 2 . GLY 98 98 27792 2 . VAL 99 99 27792 2 . THR 100 100 27792 2 . ILE 101 101 27792 2 . ALA 102 102 27792 2 . GLN 103 103 27792 2 . GLY 104 104 27792 2 . GLY 105 105 27792 2 . VAL 106 106 27792 2 . LEU 107 107 27792 2 . PRO 108 108 27792 2 . ASN 109 109 27792 2 . ILE 110 110 27792 2 . GLN 111 111 27792 2 . ALA 112 112 27792 2 . VAL 113 113 27792 2 . LEU 114 114 27792 2 . LEU 115 115 27792 2 . PRO 116 116 27792 2 . LYS 117 117 27792 2 . LYS 118 118 27792 2 . THR 119 119 27792 2 . GLU 120 120 27792 2 . LYS 121 121 27792 2 . LYS 122 122 27792 2 . ALA 123 123 27792 2 stop_ save_ save_Histone_H2B _Entity.Sf_category entity _Entity.Sf_framecode Histone_H2B _Entity.Entry_ID 27792 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name Histone_H2B _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 ; PPKTSGKAAKKAGKAQKNIT KTDKKKKRKRKESYAIYIYK VLKQVHPDTGISSKAMSIMN SFVNDIFERIAAEASRLAHY NKRSTITSREIQTAVRLLLP GELAKHAVSEGTKAVTKYTS SK ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _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 '2H-15N-H2B in H2A/H2B dimer with 2H-H2A' _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 . PRO . 27792 3 2 . PRO . 27792 3 3 . LYS . 27792 3 4 . THR . 27792 3 5 . SER . 27792 3 6 . GLY . 27792 3 7 . LYS . 27792 3 8 . ALA . 27792 3 9 . ALA . 27792 3 10 . LYS . 27792 3 11 . LYS . 27792 3 12 . ALA . 27792 3 13 . GLY . 27792 3 14 . LYS . 27792 3 15 . ALA . 27792 3 16 . GLN . 27792 3 17 . LYS . 27792 3 18 . ASN . 27792 3 19 . ILE . 27792 3 20 . THR . 27792 3 21 . LYS . 27792 3 22 . THR . 27792 3 23 . ASP . 27792 3 24 . LYS . 27792 3 25 . LYS . 27792 3 26 . LYS . 27792 3 27 . LYS . 27792 3 28 . ARG . 27792 3 29 . LYS . 27792 3 30 . ARG . 27792 3 31 . LYS . 27792 3 32 . GLU . 27792 3 33 . SER . 27792 3 34 . TYR . 27792 3 35 . ALA . 27792 3 36 . ILE . 27792 3 37 . TYR . 27792 3 38 . ILE . 27792 3 39 . TYR . 27792 3 40 . LYS . 27792 3 41 . VAL . 27792 3 42 . LEU . 27792 3 43 . LYS . 27792 3 44 . GLN . 27792 3 45 . VAL . 27792 3 46 . HIS . 27792 3 47 . PRO . 27792 3 48 . ASP . 27792 3 49 . THR . 27792 3 50 . GLY . 27792 3 51 . ILE . 27792 3 52 . SER . 27792 3 53 . SER . 27792 3 54 . LYS . 27792 3 55 . ALA . 27792 3 56 . MET . 27792 3 57 . SER . 27792 3 58 . ILE . 27792 3 59 . MET . 27792 3 60 . ASN . 27792 3 61 . SER . 27792 3 62 . PHE . 27792 3 63 . VAL . 27792 3 64 . ASN . 27792 3 65 . ASP . 27792 3 66 . ILE . 27792 3 67 . PHE . 27792 3 68 . GLU . 27792 3 69 . ARG . 27792 3 70 . ILE . 27792 3 71 . ALA . 27792 3 72 . ALA . 27792 3 73 . GLU . 27792 3 74 . ALA . 27792 3 75 . SER . 27792 3 76 . ARG . 27792 3 77 . LEU . 27792 3 78 . ALA . 27792 3 79 . HIS . 27792 3 80 . TYR . 27792 3 81 . ASN . 27792 3 82 . LYS . 27792 3 83 . ARG . 27792 3 84 . SER . 27792 3 85 . THR . 27792 3 86 . ILE . 27792 3 87 . THR . 27792 3 88 . SER . 27792 3 89 . ARG . 27792 3 90 . GLU . 27792 3 91 . ILE . 27792 3 92 . GLN . 27792 3 93 . THR . 27792 3 94 . ALA . 27792 3 95 . VAL . 27792 3 96 . ARG . 27792 3 97 . LEU . 27792 3 98 . LEU . 27792 3 99 . LEU . 27792 3 100 . PRO . 27792 3 101 . GLY . 27792 3 102 . GLU . 27792 3 103 . LEU . 27792 3 104 . ALA . 27792 3 105 . LYS . 27792 3 106 . HIS . 27792 3 107 . ALA . 27792 3 108 . VAL . 27792 3 109 . SER . 27792 3 110 . GLU . 27792 3 111 . GLY . 27792 3 112 . THR . 27792 3 113 . LYS . 27792 3 114 . ALA . 27792 3 115 . VAL . 27792 3 116 . THR . 27792 3 117 . LYS . 27792 3 118 . TYR . 27792 3 119 . THR . 27792 3 120 . SER . 27792 3 121 . SER . 27792 3 122 . LYS . 27792 3 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 . PRO 1 1 27792 3 . PRO 2 2 27792 3 . LYS 3 3 27792 3 . THR 4 4 27792 3 . SER 5 5 27792 3 . GLY 6 6 27792 3 . LYS 7 7 27792 3 . ALA 8 8 27792 3 . ALA 9 9 27792 3 . LYS 10 10 27792 3 . LYS 11 11 27792 3 . ALA 12 12 27792 3 . GLY 13 13 27792 3 . LYS 14 14 27792 3 . ALA 15 15 27792 3 . GLN 16 16 27792 3 . LYS 17 17 27792 3 . ASN 18 18 27792 3 . ILE 19 19 27792 3 . THR 20 20 27792 3 . LYS 21 21 27792 3 . THR 22 22 27792 3 . ASP 23 23 27792 3 . LYS 24 24 27792 3 . LYS 25 25 27792 3 . LYS 26 26 27792 3 . LYS 27 27 27792 3 . ARG 28 28 27792 3 . LYS 29 29 27792 3 . ARG 30 30 27792 3 . LYS 31 31 27792 3 . GLU 32 32 27792 3 . SER 33 33 27792 3 . TYR 34 34 27792 3 . ALA 35 35 27792 3 . ILE 36 36 27792 3 . TYR 37 37 27792 3 . ILE 38 38 27792 3 . TYR 39 39 27792 3 . LYS 40 40 27792 3 . VAL 41 41 27792 3 . LEU 42 42 27792 3 . LYS 43 43 27792 3 . GLN 44 44 27792 3 . VAL 45 45 27792 3 . HIS 46 46 27792 3 . PRO 47 47 27792 3 . ASP 48 48 27792 3 . THR 49 49 27792 3 . GLY 50 50 27792 3 . ILE 51 51 27792 3 . SER 52 52 27792 3 . SER 53 53 27792 3 . LYS 54 54 27792 3 . ALA 55 55 27792 3 . MET 56 56 27792 3 . SER 57 57 27792 3 . ILE 58 58 27792 3 . MET 59 59 27792 3 . ASN 60 60 27792 3 . SER 61 61 27792 3 . PHE 62 62 27792 3 . VAL 63 63 27792 3 . ASN 64 64 27792 3 . ASP 65 65 27792 3 . ILE 66 66 27792 3 . PHE 67 67 27792 3 . GLU 68 68 27792 3 . ARG 69 69 27792 3 . ILE 70 70 27792 3 . ALA 71 71 27792 3 . ALA 72 72 27792 3 . GLU 73 73 27792 3 . ALA 74 74 27792 3 . SER 75 75 27792 3 . ARG 76 76 27792 3 . LEU 77 77 27792 3 . ALA 78 78 27792 3 . HIS 79 79 27792 3 . TYR 80 80 27792 3 . ASN 81 81 27792 3 . LYS 82 82 27792 3 . ARG 83 83 27792 3 . SER 84 84 27792 3 . THR 85 85 27792 3 . ILE 86 86 27792 3 . THR 87 87 27792 3 . SER 88 88 27792 3 . ARG 89 89 27792 3 . GLU 90 90 27792 3 . ILE 91 91 27792 3 . GLN 92 92 27792 3 . THR 93 93 27792 3 . ALA 94 94 27792 3 . VAL 95 95 27792 3 . ARG 96 96 27792 3 . LEU 97 97 27792 3 . LEU 98 98 27792 3 . LEU 99 99 27792 3 . PRO 100 100 27792 3 . GLY 101 101 27792 3 . GLU 102 102 27792 3 . LEU 103 103 27792 3 . ALA 104 104 27792 3 . LYS 105 105 27792 3 . HIS 106 106 27792 3 . ALA 107 107 27792 3 . VAL 108 108 27792 3 . SER 109 109 27792 3 . GLU 110 110 27792 3 . GLY 111 111 27792 3 . THR 112 112 27792 3 . LYS 113 113 27792 3 . ALA 114 114 27792 3 . VAL 115 115 27792 3 . THR 116 116 27792 3 . LYS 117 117 27792 3 . TYR 118 118 27792 3 . THR 119 119 27792 3 . SER 120 120 27792 3 . SER 121 121 27792 3 . LYS 122 122 27792 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27792 _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 $RNF168_RING . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27792 1 2 2 $Histone_H2A . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27792 1 3 3 $Histone_H2B . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27792 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27792 _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 $RNF168_RING . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 27792 1 2 2 $Histone_H2A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 27792 1 3 3 $Histone_H2B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 27792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27792 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 25 mM Tris pH 8.0, 100 mM NaCl, 10 uM ZnCl2, 3 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Histone H2A' [U-2H] . . 2 $Histone_H2A . . 200 . . uM . . . . 27792 1 2 'Histone H2B' '[U-2H; U-15N]' . . 3 $Histone_H2B . . 200 . . uM . . . . 27792 1 3 Tris 'natural abundance' . . 1 $RNF168_RING . . 25 . . mM . . . . 27792 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27792 1 5 ZnCl2 'natural abundance' . . . . . . 10 . . mM . . . . 27792 1 6 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27792 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27792 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 25 mM Tris pH 8.0, 100 mM NaCl, 10 uM ZnCl2, 3 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Histone H2A' [U-2H] . . 2 $Histone_H2A . . 200 . . uM . . . . 27792 2 2 'Histone H2B' '[U-2H; U-15N]' . . 3 $Histone_H2B . . 200 . . uM . . . . 27792 2 3 'RNF168 RING' 'natural abundance' . . 1 $RNF168_RING . . 32 . . uM . . . . 27792 2 4 Tris 'natural abundance' . . . . . . 25 . . mM . . . . 27792 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27792 2 6 ZnCl2 'natural abundance' . . . . . . 10 . . mM . . . . 27792 2 7 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27792 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 27792 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27792 1 pH 8.0 . pH 27792 1 pressure 1 . atm 27792 1 temperature 298 . K 27792 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27792 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27792 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27792 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27792 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III HD' . 950 'TCI cryo-probe' . . 27792 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27792 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27792 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27792 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27792 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 27792 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 27792 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 27792 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 . 3 3 16 16 GLN H H 1 8.238 0.002 . 1 . . . . . 16 Q H . 27792 1 2 . 3 3 16 16 GLN N N 15 120.527 0.02 . 1 . . . . . 16 Q N . 27792 1 3 . 3 3 32 32 GLU H H 1 8.153 0.002 . 1 . . . . . 32 E H . 27792 1 4 . 3 3 32 32 GLU N N 15 123.688 0.02 . 1 . . . . . 32 E N . 27792 1 5 . 3 3 34 34 TYR H H 1 9.759 0.002 . 1 . . . . . 34 Y H . 27792 1 6 . 3 3 34 34 TYR N N 15 127.231 0.02 . 1 . . . . . 34 Y N . 27792 1 7 . 3 3 36 36 ILE H H 1 8.218 0.002 . 1 . . . . . 36 I H . 27792 1 8 . 3 3 36 36 ILE N N 15 113.971 0.02 . 1 . . . . . 36 I N . 27792 1 9 . 3 3 37 37 TYR H H 1 6.539 0.002 . 1 . . . . . 37 Y H . 27792 1 10 . 3 3 37 37 TYR N N 15 120.348 0.02 . 1 . . . . . 37 Y N . 27792 1 11 . 3 3 38 38 ILE H H 1 8.307 0.002 . 1 . . . . . 38 I H . 27792 1 12 . 3 3 38 38 ILE N N 15 119.964 0.02 . 1 . . . . . 38 I N . 27792 1 13 . 3 3 39 39 TYR H H 1 8.426 0.002 . 1 . . . . . 39 Y H . 27792 1 14 . 3 3 39 39 TYR N N 15 119.161 0.02 . 1 . . . . . 39 Y N . 27792 1 15 . 3 3 40 40 LYS H H 1 7.284 0.002 . 1 . . . . . 40 K H . 27792 1 16 . 3 3 40 40 LYS N N 15 117.004 0.02 . 1 . . . . . 40 K N . 27792 1 17 . 3 3 41 41 VAL H H 1 7.800 0.002 . 1 . . . . . 41 V H . 27792 1 18 . 3 3 41 41 VAL N N 15 120.015 0.02 . 1 . . . . . 41 V N . 27792 1 19 . 3 3 42 42 LEU H H 1 8.436 0.002 . 1 . . . . . 42 L H . 27792 1 20 . 3 3 42 42 LEU N N 15 121.436 0.02 . 1 . . . . . 42 L N . 27792 1 21 . 3 3 43 43 LYS H H 1 7.707 0.002 . 1 . . . . . 43 K H . 27792 1 22 . 3 3 43 43 LYS N N 15 114.864 0.02 . 1 . . . . . 43 K N . 27792 1 23 . 3 3 44 44 GLN H H 1 7.288 0.002 . 1 . . . . . 44 Q H . 27792 1 24 . 3 3 44 44 GLN N N 15 114.996 0.02 . 1 . . . . . 44 Q N . 27792 1 25 . 3 3 45 45 VAL H H 1 7.447 0.002 . 1 . . . . . 45 V H . 27792 1 26 . 3 3 45 45 VAL N N 15 112.981 0.02 . 1 . . . . . 45 V N . 27792 1 27 . 3 3 46 46 HIS H H 1 8.762 0.002 . 1 . . . . . 46 H H . 27792 1 28 . 3 3 46 46 HIS N N 15 119.465 0.02 . 1 . . . . . 46 H N . 27792 1 29 . 3 3 48 48 ASP H H 1 8.374 0.002 . 1 . . . . . 48 D H . 27792 1 30 . 3 3 48 48 ASP N N 15 115.471 0.02 . 1 . . . . . 48 D N . 27792 1 31 . 3 3 49 49 THR H H 1 7.653 0.002 . 1 . . . . . 49 T H . 27792 1 32 . 3 3 49 49 THR N N 15 119.108 0.02 . 1 . . . . . 49 T N . 27792 1 33 . 3 3 50 50 GLY H H 1 8.515 0.002 . 1 . . . . . 50 G H . 27792 1 34 . 3 3 50 50 GLY N N 15 113.247 0.02 . 1 . . . . . 50 G N . 27792 1 35 . 3 3 51 51 ILE H H 1 8.810 0.002 . 1 . . . . . 51 I H . 27792 1 36 . 3 3 51 51 ILE N N 15 117.794 0.02 . 1 . . . . . 51 I N . 27792 1 37 . 3 3 52 52 SER H H 1 8.986 0.002 . 1 . . . . . 52 S H . 27792 1 38 . 3 3 52 52 SER N N 15 124.739 0.02 . 1 . . . . . 52 S N . 27792 1 39 . 3 3 55 55 ALA H H 1 7.519 0.002 . 1 . . . . . 55 A H . 27792 1 40 . 3 3 55 55 ALA N N 15 120.777 0.02 . 1 . . . . . 55 A N . 27792 1 41 . 3 3 56 56 MET H H 1 8.816 0.002 . 1 . . . . . 56 M H . 27792 1 42 . 3 3 56 56 MET N N 15 119.833 0.02 . 1 . . . . . 56 M N . 27792 1 43 . 3 3 57 57 SER H H 1 8.021 0.002 . 1 . . . . . 57 S H . 27792 1 44 . 3 3 57 57 SER N N 15 115.974 0.02 . 1 . . . . . 57 S N . 27792 1 45 . 3 3 58 58 ILE H H 1 7.444 0.002 . 1 . . . . . 58 I H . 27792 1 46 . 3 3 58 58 ILE N N 15 123.063 0.02 . 1 . . . . . 58 I N . 27792 1 47 . 3 3 59 59 MET H H 1 8.070 0.002 . 1 . . . . . 59 M H . 27792 1 48 . 3 3 59 59 MET N N 15 118.580 0.02 . 1 . . . . . 59 M N . 27792 1 49 . 3 3 60 60 ASN H H 1 9.099 0.002 . 1 . . . . . 60 N H . 27792 1 50 . 3 3 60 60 ASN N N 15 119.241 0.02 . 1 . . . . . 60 N N . 27792 1 51 . 3 3 61 61 SER H H 1 8.407 0.002 . 1 . . . . . 61 S H . 27792 1 52 . 3 3 61 61 SER N N 15 119.085 0.02 . 1 . . . . . 61 S N . 27792 1 53 . 3 3 62 62 PHE H H 1 8.446 0.002 . 1 . . . . . 62 F H . 27792 1 54 . 3 3 62 62 PHE N N 15 122.724 0.02 . 1 . . . . . 62 F N . 27792 1 55 . 3 3 63 63 VAL H H 1 8.330 0.002 . 1 . . . . . 63 V H . 27792 1 56 . 3 3 63 63 VAL N N 15 116.291 0.02 . 1 . . . . . 63 V N . 27792 1 57 . 3 3 66 66 ILE H H 1 8.079 0.002 . 1 . . . . . 66 I H . 27792 1 58 . 3 3 66 66 ILE N N 15 118.420 0.02 . 1 . . . . . 66 I N . 27792 1 59 . 3 3 67 67 PHE H H 1 7.823 0.002 . 1 . . . . . 67 F H . 27792 1 60 . 3 3 67 67 PHE N N 15 119.412 0.02 . 1 . . . . . 67 F N . 27792 1 61 . 3 3 68 68 GLU H H 1 8.364 0.002 . 1 . . . . . 68 E H . 27792 1 62 . 3 3 68 68 GLU N N 15 116.978 0.02 . 1 . . . . . 68 E N . 27792 1 63 . 3 3 69 69 ARG H H 1 8.559 0.002 . 1 . . . . . 69 R H . 27792 1 64 . 3 3 69 69 ARG N N 15 118.079 0.02 . 1 . . . . . 69 R N . 27792 1 65 . 3 3 70 70 ILE H H 1 8.058 0.002 . 1 . . . . . 70 I H . 27792 1 66 . 3 3 70 70 ILE N N 15 118.872 0.02 . 1 . . . . . 70 I N . 27792 1 67 . 3 3 71 71 ALA H H 1 8.420 0.002 . 1 . . . . . 71 A H . 27792 1 68 . 3 3 71 71 ALA N N 15 122.205 0.02 . 1 . . . . . 71 A N . 27792 1 69 . 3 3 72 72 ALA H H 1 7.884 0.002 . 1 . . . . . 72 A H . 27792 1 70 . 3 3 72 72 ALA N N 15 117.417 0.02 . 1 . . . . . 72 A N . 27792 1 71 . 3 3 73 73 GLU H H 1 7.507 0.002 . 1 . . . . . 73 E H . 27792 1 72 . 3 3 73 73 GLU N N 15 120.663 0.02 . 1 . . . . . 73 E N . 27792 1 73 . 3 3 74 74 ALA H H 1 8.774 0.002 . 1 . . . . . 74 A H . 27792 1 74 . 3 3 74 74 ALA N N 15 121.671 0.02 . 1 . . . . . 74 A N . 27792 1 75 . 3 3 75 75 SER H H 1 8.141 0.002 . 1 . . . . . 75 S H . 27792 1 76 . 3 3 75 75 SER N N 15 110.873 0.02 . 1 . . . . . 75 S N . 27792 1 77 . 3 3 76 76 ARG H H 1 7.834 0.002 . 1 . . . . . 76 R H . 27792 1 78 . 3 3 76 76 ARG N N 15 122.384 0.02 . 1 . . . . . 76 R N . 27792 1 79 . 3 3 77 77 LEU H H 1 8.267 0.002 . 1 . . . . . 77 L H . 27792 1 80 . 3 3 77 77 LEU N N 15 119.523 0.02 . 1 . . . . . 77 L N . 27792 1 81 . 3 3 78 78 ALA H H 1 8.341 0.002 . 1 . . . . . 78 A H . 27792 1 82 . 3 3 78 78 ALA N N 15 122.581 0.02 . 1 . . . . . 78 A N . 27792 1 83 . 3 3 79 79 HIS H H 1 7.959 0.002 . 1 . . . . . 79 H H . 27792 1 84 . 3 3 79 79 HIS N N 15 116.430 0.02 . 1 . . . . . 79 H N . 27792 1 85 . 3 3 80 80 TYR H H 1 8.408 0.002 . 1 . . . . . 80 Y H . 27792 1 86 . 3 3 80 80 TYR N N 15 120.821 0.02 . 1 . . . . . 80 Y N . 27792 1 87 . 3 3 81 81 ASN H H 1 7.665 0.002 . 1 . . . . . 81 N H . 27792 1 88 . 3 3 81 81 ASN N N 15 115.239 0.02 . 1 . . . . . 81 N N . 27792 1 89 . 3 3 83 83 ARG H H 1 8.326 0.002 . 1 . . . . . 83 R H . 27792 1 90 . 3 3 83 83 ARG N N 15 117.836 0.02 . 1 . . . . . 83 R N . 27792 1 91 . 3 3 85 85 THR H H 1 7.292 0.002 . 1 . . . . . 85 T H . 27792 1 92 . 3 3 85 85 THR N N 15 115.168 0.02 . 1 . . . . . 85 T N . 27792 1 93 . 3 3 86 86 ILE H H 1 8.040 0.002 . 1 . . . . . 86 I H . 27792 1 94 . 3 3 86 86 ILE N N 15 123.474 0.02 . 1 . . . . . 86 I N . 27792 1 95 . 3 3 87 87 THR H H 1 9.281 0.002 . 1 . . . . . 87 T H . 27792 1 96 . 3 3 87 87 THR N N 15 120.611 0.02 . 1 . . . . . 87 T N . 27792 1 97 . 3 3 89 89 ARG H H 1 7.805 0.002 . 1 . . . . . 89 R H . 27792 1 98 . 3 3 89 89 ARG N N 15 122.191 0.02 . 1 . . . . . 89 R N . 27792 1 99 . 3 3 90 90 GLU H H 1 7.418 0.002 . 1 . . . . . 90 E H . 27792 1 100 . 3 3 90 90 GLU N N 15 119.375 0.02 . 1 . . . . . 90 E N . 27792 1 101 . 3 3 91 91 ILE H H 1 7.054 0.002 . 1 . . . . . 91 I H . 27792 1 102 . 3 3 91 91 ILE N N 15 116.040 0.02 . 1 . . . . . 91 I N . 27792 1 103 . 3 3 92 92 GLN H H 1 7.824 0.002 . 1 . . . . . 92 Q H . 27792 1 104 . 3 3 92 92 GLN N N 15 119.187 0.02 . 1 . . . . . 92 Q N . 27792 1 105 . 3 3 93 93 THR H H 1 8.025 0.002 . 1 . . . . . 93 T H . 27792 1 106 . 3 3 93 93 THR N N 15 115.346 0.02 . 1 . . . . . 93 T N . 27792 1 107 . 3 3 94 94 ALA H H 1 7.804 0.002 . 1 . . . . . 94 A H . 27792 1 108 . 3 3 94 94 ALA N N 15 122.950 0.02 . 1 . . . . . 94 A N . 27792 1 109 . 3 3 95 95 VAL H H 1 8.389 0.002 . 1 . . . . . 95 V H . 27792 1 110 . 3 3 95 95 VAL N N 15 117.774 0.02 . 1 . . . . . 95 V N . 27792 1 111 . 3 3 96 96 ARG H H 1 7.742 0.002 . 1 . . . . . 96 R H . 27792 1 112 . 3 3 96 96 ARG N N 15 116.606 0.02 . 1 . . . . . 96 R N . 27792 1 113 . 3 3 97 97 LEU H H 1 7.719 0.002 . 1 . . . . . 97 L H . 27792 1 114 . 3 3 97 97 LEU N N 15 117.742 0.02 . 1 . . . . . 97 L N . 27792 1 115 . 3 3 98 98 LEU H H 1 7.829 0.002 . 1 . . . . . 98 L H . 27792 1 116 . 3 3 98 98 LEU N N 15 117.166 0.02 . 1 . . . . . 98 L N . 27792 1 117 . 3 3 99 99 LEU H H 1 8.039 0.002 . 1 . . . . . 99 L H . 27792 1 118 . 3 3 99 99 LEU N N 15 119.699 0.02 . 1 . . . . . 99 L N . 27792 1 119 . 3 3 101 101 GLY H H 1 8.109 0.002 . 1 . . . . . 101 G H . 27792 1 120 . 3 3 101 101 GLY N N 15 105.276 0.02 . 1 . . . . . 101 G N . 27792 1 121 . 3 3 102 102 GLU H H 1 10.166 0.002 . 1 . . . . . 102 E H . 27792 1 122 . 3 3 102 102 GLU N N 15 128.277 0.02 . 1 . . . . . 102 E N . 27792 1 123 . 3 3 103 103 LEU H H 1 8.634 0.002 . 1 . . . . . 103 L H . 27792 1 124 . 3 3 103 103 LEU N N 15 121.760 0.02 . 1 . . . . . 103 L N . 27792 1 125 . 3 3 104 104 ALA H H 1 7.831 0.002 . 1 . . . . . 104 A H . 27792 1 126 . 3 3 104 104 ALA N N 15 118.396 0.02 . 1 . . . . . 104 A N . 27792 1 127 . 3 3 105 105 LYS H H 1 7.250 0.002 . 1 . . . . . 105 K H . 27792 1 128 . 3 3 105 105 LYS N N 15 116.801 0.02 . 1 . . . . . 105 K N . 27792 1 129 . 3 3 106 106 HIS H H 1 7.899 0.002 . 1 . . . . . 106 H H . 27792 1 130 . 3 3 106 106 HIS N N 15 119.069 0.02 . 1 . . . . . 106 H N . 27792 1 131 . 3 3 107 107 ALA H H 1 8.568 0.002 . 1 . . . . . 107 A H . 27792 1 132 . 3 3 107 107 ALA N N 15 122.923 0.02 . 1 . . . . . 107 A N . 27792 1 133 . 3 3 108 108 VAL H H 1 8.133 0.002 . 1 . . . . . 108 V H . 27792 1 134 . 3 3 108 108 VAL N N 15 116.864 0.02 . 1 . . . . . 108 V N . 27792 1 135 . 3 3 109 109 SER H H 1 7.398 0.002 . 1 . . . . . 109 S H . 27792 1 136 . 3 3 109 109 SER N N 15 117.529 0.02 . 1 . . . . . 109 S N . 27792 1 137 . 3 3 110 110 GLU H H 1 8.095 0.002 . 1 . . . . . 110 E H . 27792 1 138 . 3 3 110 110 GLU N N 15 119.614 0.02 . 1 . . . . . 110 E N . 27792 1 139 . 3 3 111 111 GLY H H 1 8.601 0.002 . 1 . . . . . 111 G H . 27792 1 140 . 3 3 111 111 GLY N N 15 109.098 0.02 . 1 . . . . . 111 G N . 27792 1 141 . 3 3 112 112 THR H H 1 7.986 0.002 . 1 . . . . . 112 T H . 27792 1 142 . 3 3 112 112 THR N N 15 116.556 0.02 . 1 . . . . . 112 T N . 27792 1 143 . 3 3 113 113 LYS H H 1 7.879 0.002 . 1 . . . . . 113 K H . 27792 1 144 . 3 3 113 113 LYS N N 15 122.530 0.02 . 1 . . . . . 113 K N . 27792 1 145 . 3 3 114 114 ALA H H 1 7.640 0.002 . 1 . . . . . 114 A H . 27792 1 146 . 3 3 114 114 ALA N N 15 121.263 0.02 . 1 . . . . . 114 A N . 27792 1 147 . 3 3 115 115 VAL H H 1 8.090 0.002 . 1 . . . . . 115 V H . 27792 1 148 . 3 3 115 115 VAL N N 15 117.600 0.02 . 1 . . . . . 115 V N . 27792 1 149 . 3 3 116 116 THR H H 1 7.936 0.002 . 1 . . . . . 116 T H . 27792 1 150 . 3 3 116 116 THR N N 15 116.696 0.02 . 1 . . . . . 116 T N . 27792 1 151 . 3 3 117 117 LYS H H 1 7.738 0.002 . 1 . . . . . 117 K H . 27792 1 152 . 3 3 117 117 LYS N N 15 120.808 0.02 . 1 . . . . . 117 K N . 27792 1 153 . 3 3 118 118 TYR H H 1 8.156 0.002 . 1 . . . . . 118 Y H . 27792 1 154 . 3 3 118 118 TYR N N 15 117.626 0.02 . 1 . . . . . 118 Y N . 27792 1 155 . 3 3 119 119 THR H H 1 7.880 0.002 . 1 . . . . . 119 T H . 27792 1 156 . 3 3 119 119 THR N N 15 112.293 0.02 . 1 . . . . . 119 T N . 27792 1 157 . 3 3 121 121 SER H H 1 8.079 0.002 . 1 . . . . . 121 S H . 27792 1 158 . 3 3 121 121 SER N N 15 118.420 0.02 . 1 . . . . . 121 S N . 27792 1 159 . 3 3 122 122 LYS H H 1 7.838 0.002 . 1 . . . . . 122 K H . 27792 1 160 . 3 3 122 122 LYS N N 15 128.036 0.02 . 1 . . . . . 122 K N . 27792 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27792 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N TROSY' . . . 27792 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 . 3 3 16 16 GLN H H 1 8.225 0.002 . 1 . . . . . 16 Q H . 27792 2 2 . 3 3 16 16 GLN N N 15 120.505 0.02 . 1 . . . . . 16 Q N . 27792 2 3 . 3 3 32 32 GLU H H 1 8.149 0.002 . 1 . . . . . 32 E H . 27792 2 4 . 3 3 32 32 GLU N N 15 123.647 0.02 . 1 . . . . . 32 E N . 27792 2 5 . 3 3 34 34 TYR H H 1 9.760 0.002 . 1 . . . . . 34 Y H . 27792 2 6 . 3 3 34 34 TYR N N 15 127.257 0.02 . 1 . . . . . 34 Y N . 27792 2 7 . 3 3 36 36 ILE H H 1 8.220 0.002 . 1 . . . . . 36 I H . 27792 2 8 . 3 3 36 36 ILE N N 15 114.007 0.02 . 1 . . . . . 36 I N . 27792 2 9 . 3 3 37 37 TYR H H 1 6.533 0.002 . 1 . . . . . 37 Y H . 27792 2 10 . 3 3 37 37 TYR N N 15 120.388 0.02 . 1 . . . . . 37 Y N . 27792 2 11 . 3 3 38 38 ILE H H 1 8.303 0.002 . 1 . . . . . 38 I H . 27792 2 12 . 3 3 38 38 ILE N N 15 119.918 0.02 . 1 . . . . . 38 I N . 27792 2 13 . 3 3 39 39 TYR H H 1 8.426 0.002 . 1 . . . . . 39 Y H . 27792 2 14 . 3 3 39 39 TYR N N 15 119.204 0.02 . 1 . . . . . 39 Y N . 27792 2 15 . 3 3 40 40 LYS H H 1 7.302 0.002 . 1 . . . . . 40 K H . 27792 2 16 . 3 3 40 40 LYS N N 15 116.999 0.02 . 1 . . . . . 40 K N . 27792 2 17 . 3 3 41 41 VAL H H 1 7.797 0.002 . 1 . . . . . 41 V H . 27792 2 18 . 3 3 41 41 VAL N N 15 120.005 0.02 . 1 . . . . . 41 V N . 27792 2 19 . 3 3 42 42 LEU H H 1 8.435 0.002 . 1 . . . . . 42 L H . 27792 2 20 . 3 3 42 42 LEU N N 15 121.470 0.02 . 1 . . . . . 42 L N . 27792 2 21 . 3 3 43 43 LYS H H 1 7.708 0.002 . 1 . . . . . 43 K H . 27792 2 22 . 3 3 43 43 LYS N N 15 114.774 0.02 . 1 . . . . . 43 K N . 27792 2 23 . 3 3 44 44 GLN H H 1 7.291 0.002 . 1 . . . . . 44 Q H . 27792 2 24 . 3 3 44 44 GLN N N 15 115.048 0.02 . 1 . . . . . 44 Q N . 27792 2 25 . 3 3 45 45 VAL H H 1 7.451 0.002 . 1 . . . . . 45 V H . 27792 2 26 . 3 3 45 45 VAL N N 15 113.068 0.02 . 1 . . . . . 45 V N . 27792 2 27 . 3 3 46 46 HIS H H 1 8.768 0.002 . 1 . . . . . 46 H H . 27792 2 28 . 3 3 46 46 HIS N N 15 119.472 0.02 . 1 . . . . . 46 H N . 27792 2 29 . 3 3 48 48 ASP H H 1 8.372 0.002 . 1 . . . . . 48 D H . 27792 2 30 . 3 3 48 48 ASP N N 15 115.472 0.02 . 1 . . . . . 48 D N . 27792 2 31 . 3 3 49 49 THR H H 1 7.655 0.002 . 1 . . . . . 49 T H . 27792 2 32 . 3 3 49 49 THR N N 15 119.109 0.02 . 1 . . . . . 49 T N . 27792 2 33 . 3 3 50 50 GLY H H 1 8.524 0.002 . 1 . . . . . 50 G H . 27792 2 34 . 3 3 50 50 GLY N N 15 113.317 0.02 . 1 . . . . . 50 G N . 27792 2 35 . 3 3 51 51 ILE H H 1 8.830 0.002 . 1 . . . . . 51 I H . 27792 2 36 . 3 3 51 51 ILE N N 15 117.830 0.02 . 1 . . . . . 51 I N . 27792 2 37 . 3 3 52 52 SER H H 1 8.977 0.002 . 1 . . . . . 52 S H . 27792 2 38 . 3 3 52 52 SER N N 15 124.648 0.02 . 1 . . . . . 52 S N . 27792 2 39 . 3 3 55 55 ALA H H 1 7.524 0.002 . 1 . . . . . 55 A H . 27792 2 40 . 3 3 55 55 ALA N N 15 120.746 0.02 . 1 . . . . . 55 A N . 27792 2 41 . 3 3 56 56 MET H H 1 8.812 0.002 . 1 . . . . . 56 M H . 27792 2 42 . 3 3 56 56 MET N N 15 119.793 0.02 . 1 . . . . . 56 M N . 27792 2 43 . 3 3 57 57 SER H H 1 8.023 0.002 . 1 . . . . . 57 S H . 27792 2 44 . 3 3 57 57 SER N N 15 115.998 0.02 . 1 . . . . . 57 S N . 27792 2 45 . 3 3 58 58 ILE H H 1 7.451 0.002 . 1 . . . . . 58 I H . 27792 2 46 . 3 3 58 58 ILE N N 15 123.052 0.02 . 1 . . . . . 58 I N . 27792 2 47 . 3 3 59 59 MET H H 1 8.068 0.002 . 1 . . . . . 59 M H . 27792 2 48 . 3 3 59 59 MET N N 15 118.528 0.02 . 1 . . . . . 59 M N . 27792 2 49 . 3 3 60 60 ASN H H 1 9.089 0.002 . 1 . . . . . 60 N H . 27792 2 50 . 3 3 60 60 ASN N N 15 119.203 0.02 . 1 . . . . . 60 N N . 27792 2 51 . 3 3 61 61 SER H H 1 8.417 0.002 . 1 . . . . . 61 S H . 27792 2 52 . 3 3 61 61 SER N N 15 119.159 0.02 . 1 . . . . . 61 S N . 27792 2 53 . 3 3 62 62 PHE H H 1 8.450 0.002 . 1 . . . . . 62 F H . 27792 2 54 . 3 3 62 62 PHE N N 15 122.708 0.02 . 1 . . . . . 62 F N . 27792 2 55 . 3 3 63 63 VAL H H 1 8.332 0.002 . 1 . . . . . 63 V H . 27792 2 56 . 3 3 63 63 VAL N N 15 116.288 0.02 . 1 . . . . . 63 V N . 27792 2 57 . 3 3 66 66 ILE H H 1 8.076 0.002 . 1 . . . . . 66 I H . 27792 2 58 . 3 3 66 66 ILE N N 15 118.415 0.02 . 1 . . . . . 66 I N . 27792 2 59 . 3 3 67 67 PHE H H 1 7.824 0.002 . 1 . . . . . 67 F H . 27792 2 60 . 3 3 67 67 PHE N N 15 119.409 0.02 . 1 . . . . . 67 F N . 27792 2 61 . 3 3 68 68 GLU H H 1 8.364 0.002 . 1 . . . . . 68 E H . 27792 2 62 . 3 3 68 68 GLU N N 15 116.976 0.02 . 1 . . . . . 68 E N . 27792 2 63 . 3 3 69 69 ARG H H 1 8.559 0.002 . 1 . . . . . 69 R H . 27792 2 64 . 3 3 69 69 ARG N N 15 118.071 0.02 . 1 . . . . . 69 R N . 27792 2 65 . 3 3 70 70 ILE H H 1 8.058 0.002 . 1 . . . . . 70 I H . 27792 2 66 . 3 3 70 70 ILE N N 15 118.883 0.02 . 1 . . . . . 70 I N . 27792 2 67 . 3 3 71 71 ALA H H 1 8.422 0.002 . 1 . . . . . 71 A H . 27792 2 68 . 3 3 71 71 ALA N N 15 122.211 0.02 . 1 . . . . . 71 A N . 27792 2 69 . 3 3 72 72 ALA H H 1 7.887 0.002 . 1 . . . . . 72 A H . 27792 2 70 . 3 3 72 72 ALA N N 15 117.429 0.02 . 1 . . . . . 72 A N . 27792 2 71 . 3 3 73 73 GLU H H 1 7.504 0.002 . 1 . . . . . 73 E H . 27792 2 72 . 3 3 73 73 GLU N N 15 120.660 0.02 . 1 . . . . . 73 E N . 27792 2 73 . 3 3 74 74 ALA H H 1 8.773 0.002 . 1 . . . . . 74 A H . 27792 2 74 . 3 3 74 74 ALA N N 15 121.673 0.02 . 1 . . . . . 74 A N . 27792 2 75 . 3 3 75 75 SER H H 1 8.140 0.002 . 1 . . . . . 75 S H . 27792 2 76 . 3 3 75 75 SER N N 15 110.865 0.02 . 1 . . . . . 75 S N . 27792 2 77 . 3 3 76 76 ARG H H 1 7.835 0.002 . 1 . . . . . 76 R H . 27792 2 78 . 3 3 76 76 ARG N N 15 122.383 0.02 . 1 . . . . . 76 R N . 27792 2 79 . 3 3 77 77 LEU H H 1 8.269 0.002 . 1 . . . . . 77 L H . 27792 2 80 . 3 3 77 77 LEU N N 15 119.531 0.02 . 1 . . . . . 77 L N . 27792 2 81 . 3 3 78 78 ALA H H 1 8.340 0.002 . 1 . . . . . 78 A H . 27792 2 82 . 3 3 78 78 ALA N N 15 122.585 0.02 . 1 . . . . . 78 A N . 27792 2 83 . 3 3 79 79 HIS H H 1 7.960 0.002 . 1 . . . . . 79 H H . 27792 2 84 . 3 3 79 79 HIS N N 15 116.436 0.02 . 1 . . . . . 79 H N . 27792 2 85 . 3 3 80 80 TYR H H 1 8.412 0.002 . 1 . . . . . 80 Y H . 27792 2 86 . 3 3 80 80 TYR N N 15 120.832 0.02 . 1 . . . . . 80 Y N . 27792 2 87 . 3 3 81 81 ASN H H 1 7.665 0.002 . 1 . . . . . 81 N H . 27792 2 88 . 3 3 81 81 ASN N N 15 115.231 0.02 . 1 . . . . . 81 N N . 27792 2 89 . 3 3 83 83 ARG H H 1 8.328 0.002 . 1 . . . . . 83 R H . 27792 2 90 . 3 3 83 83 ARG N N 15 117.842 0.02 . 1 . . . . . 83 R N . 27792 2 91 . 3 3 85 85 THR H H 1 7.288 0.002 . 1 . . . . . 85 T H . 27792 2 92 . 3 3 85 85 THR N N 15 115.149 0.02 . 1 . . . . . 85 T N . 27792 2 93 . 3 3 86 86 ILE H H 1 8.039 0.002 . 1 . . . . . 86 I H . 27792 2 94 . 3 3 86 86 ILE N N 15 123.472 0.02 . 1 . . . . . 86 I N . 27792 2 95 . 3 3 87 87 THR H H 1 9.282 0.002 . 1 . . . . . 87 T H . 27792 2 96 . 3 3 87 87 THR N N 15 120.610 0.02 . 1 . . . . . 87 T N . 27792 2 97 . 3 3 89 89 ARG H H 1 7.804 0.002 . 1 . . . . . 89 R H . 27792 2 98 . 3 3 89 89 ARG N N 15 122.191 0.02 . 1 . . . . . 89 R N . 27792 2 99 . 3 3 90 90 GLU H H 1 7.418 0.002 . 1 . . . . . 90 E H . 27792 2 100 . 3 3 90 90 GLU N N 15 119.372 0.02 . 1 . . . . . 90 E N . 27792 2 101 . 3 3 91 91 ILE H H 1 7.054 0.002 . 1 . . . . . 91 I H . 27792 2 102 . 3 3 91 91 ILE N N 15 116.035 0.02 . 1 . . . . . 91 I N . 27792 2 103 . 3 3 92 92 GLN H H 1 7.823 0.002 . 1 . . . . . 92 Q H . 27792 2 104 . 3 3 92 92 GLN N N 15 119.184 0.02 . 1 . . . . . 92 Q N . 27792 2 105 . 3 3 93 93 THR H H 1 8.026 0.002 . 1 . . . . . 93 T H . 27792 2 106 . 3 3 93 93 THR N N 15 115.353 0.02 . 1 . . . . . 93 T N . 27792 2 107 . 3 3 94 94 ALA H H 1 7.804 0.002 . 1 . . . . . 94 A H . 27792 2 108 . 3 3 94 94 ALA N N 15 122.950 0.02 . 1 . . . . . 94 A N . 27792 2 109 . 3 3 95 95 VAL H H 1 8.390 0.002 . 1 . . . . . 95 V H . 27792 2 110 . 3 3 95 95 VAL N N 15 117.780 0.02 . 1 . . . . . 95 V N . 27792 2 111 . 3 3 96 96 ARG H H 1 7.743 0.002 . 1 . . . . . 96 R H . 27792 2 112 . 3 3 96 96 ARG N N 15 116.610 0.02 . 1 . . . . . 96 R N . 27792 2 113 . 3 3 97 97 LEU H H 1 7.719 0.002 . 1 . . . . . 97 L H . 27792 2 114 . 3 3 97 97 LEU N N 15 117.748 0.02 . 1 . . . . . 97 L N . 27792 2 115 . 3 3 98 98 LEU H H 1 7.830 0.002 . 1 . . . . . 98 L H . 27792 2 116 . 3 3 98 98 LEU N N 15 117.173 0.02 . 1 . . . . . 98 L N . 27792 2 117 . 3 3 99 99 LEU H H 1 8.044 0.002 . 1 . . . . . 99 L H . 27792 2 118 . 3 3 99 99 LEU N N 15 119.751 0.02 . 1 . . . . . 99 L N . 27792 2 119 . 3 3 101 101 GLY H H 1 8.109 0.002 . 1 . . . . . 101 G H . 27792 2 120 . 3 3 101 101 GLY N N 15 105.284 0.02 . 1 . . . . . 101 G N . 27792 2 121 . 3 3 102 102 GLU H H 1 10.166 0.002 . 1 . . . . . 102 E H . 27792 2 122 . 3 3 102 102 GLU N N 15 128.257 0.02 . 1 . . . . . 102 E N . 27792 2 123 . 3 3 103 103 LEU H H 1 8.631 0.002 . 1 . . . . . 103 L H . 27792 2 124 . 3 3 103 103 LEU N N 15 121.726 0.02 . 1 . . . . . 103 L N . 27792 2 125 . 3 3 104 104 ALA H H 1 7.828 0.002 . 1 . . . . . 104 A H . 27792 2 126 . 3 3 104 104 ALA N N 15 118.368 0.02 . 1 . . . . . 104 A N . 27792 2 127 . 3 3 105 105 LYS H H 1 7.244 0.002 . 1 . . . . . 105 K H . 27792 2 128 . 3 3 105 105 LYS N N 15 116.797 0.02 . 1 . . . . . 105 K N . 27792 2 129 . 3 3 106 106 HIS H H 1 7.897 0.002 . 1 . . . . . 106 H H . 27792 2 130 . 3 3 106 106 HIS N N 15 119.090 0.02 . 1 . . . . . 106 H N . 27792 2 131 . 3 3 107 107 ALA H H 1 8.564 0.002 . 1 . . . . . 107 A H . 27792 2 132 . 3 3 107 107 ALA N N 15 122.901 0.02 . 1 . . . . . 107 A N . 27792 2 133 . 3 3 108 108 VAL H H 1 8.129 0.002 . 1 . . . . . 108 V H . 27792 2 134 . 3 3 108 108 VAL N N 15 116.873 0.02 . 1 . . . . . 108 V N . 27792 2 135 . 3 3 109 109 SER H H 1 7.399 0.002 . 1 . . . . . 109 S H . 27792 2 136 . 3 3 109 109 SER N N 15 117.534 0.02 . 1 . . . . . 109 S N . 27792 2 137 . 3 3 110 110 GLU H H 1 8.097 0.002 . 1 . . . . . 110 E H . 27792 2 138 . 3 3 110 110 GLU N N 15 119.620 0.02 . 1 . . . . . 110 E N . 27792 2 139 . 3 3 111 111 GLY H H 1 8.602 0.002 . 1 . . . . . 111 G H . 27792 2 140 . 3 3 111 111 GLY N N 15 109.104 0.02 . 1 . . . . . 111 G N . 27792 2 141 . 3 3 112 112 THR H H 1 7.987 0.002 . 1 . . . . . 112 T H . 27792 2 142 . 3 3 112 112 THR N N 15 116.576 0.02 . 1 . . . . . 112 T N . 27792 2 143 . 3 3 113 113 LYS H H 1 7.882 0.002 . 1 . . . . . 113 K H . 27792 2 144 . 3 3 113 113 LYS N N 15 122.557 0.02 . 1 . . . . . 113 K N . 27792 2 145 . 3 3 114 114 ALA H H 1 7.638 0.002 . 1 . . . . . 114 A H . 27792 2 146 . 3 3 114 114 ALA N N 15 121.270 0.02 . 1 . . . . . 114 A N . 27792 2 147 . 3 3 115 115 VAL H H 1 8.091 0.002 . 1 . . . . . 115 V H . 27792 2 148 . 3 3 115 115 VAL N N 15 117.606 0.02 . 1 . . . . . 115 V N . 27792 2 149 . 3 3 116 116 THR H H 1 7.943 0.002 . 1 . . . . . 116 T H . 27792 2 150 . 3 3 116 116 THR N N 15 116.742 0.02 . 1 . . . . . 116 T N . 27792 2 151 . 3 3 117 117 LYS H H 1 7.742 0.002 . 1 . . . . . 117 K H . 27792 2 152 . 3 3 117 117 LYS N N 15 120.848 0.02 . 1 . . . . . 117 K N . 27792 2 153 . 3 3 118 118 TYR H H 1 8.162 0.002 . 1 . . . . . 118 Y H . 27792 2 154 . 3 3 118 118 TYR N N 15 117.655 0.02 . 1 . . . . . 118 Y N . 27792 2 155 . 3 3 119 119 THR H H 1 7.883 0.002 . 1 . . . . . 119 T H . 27792 2 156 . 3 3 119 119 THR N N 15 112.254 0.02 . 1 . . . . . 119 T N . 27792 2 157 . 3 3 121 121 SER H H 1 8.076 0.002 . 1 . . . . . 121 S H . 27792 2 158 . 3 3 121 121 SER N N 15 118.415 0.02 . 1 . . . . . 121 S N . 27792 2 159 . 3 3 122 122 LYS H H 1 7.835 0.002 . 1 . . . . . 122 K H . 27792 2 160 . 3 3 122 122 LYS N N 15 128.036 0.02 . 1 . . . . . 122 K N . 27792 2 stop_ save_