data_51177 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51177 _Entry.Title ; Histone H2A and H2B tails within 112-bp hexasome ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-14 _Entry.Accession_date 2021-11-14 _Entry.Last_release_date 2021-11-15 _Entry.Original_release_date 2021-11-15 _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 . _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 Yasuo Tsunaka . . . 0000-0002-7366-7610 51177 2 Hideaki Ohtomo . . . . 51177 3 Yoshifumi Nishimura . . . . 51177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 51177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 51 51177 '1H chemical shifts' 51 51177 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 . . 2022-10-12 . original BMRB . 51177 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51178 'Histone H2A and H2B tails within 112-bp DNA/pAID nucleosome' 51177 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51177 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35963897 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; FACT modulates the conformations of histone H2A and H2B N-terminal tails within nucleosomes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 814 _Citation.Page_last 814 _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 Yasuo Tsunaka . . . . 51177 1 2 Hideaki Ohtomo . . . . 51177 1 3 Yoshifumi Nishimura . . . . 51177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51177 _Assembly.ID 1 _Assembly.Name '112-bp DNA/pAID nucleosome' _Assembly.BMRB_code . _Assembly.Number_of_components 8 _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 'Hsitone H2A' 1 $entity_1 . . yes native no no . . . 51177 1 2 'Histone H2B' 2 $entity_2 . . yes native no no . . . 51177 1 3 'Histone H3.1_1' 3 $entity_3 . . no native no no . . . 51177 1 4 'Histone H3.1_2' 3 $entity_3 . . no native no no . . . 51177 1 5 'Histone H4_1' 4 $entity_4 . . no native no no . . . 51177 1 6 'Histone H4_2' 4 $entity_4 . . no native no no . . . 51177 1 7 '112-bp DNA_1' 5 $entity_5 . . no native no no . . . 51177 1 8 '112-bp DNA_2' 6 $entity_6 . . no native no no . . . 51177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51177 _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 ; GPGMSGRGKQGGKARAKAKT RSSRAGLQFPVGRVHRLLRK GNYSERVGAGAPVYLAAVLE YLTAEILELAGNAARDNKKT RIIPRHLQLAIRNDEELNKL LGRVTIAQGGVLPNIQAVLL PKKTESHHKAKGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _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 -3 GLY . 51177 1 2 -2 PRO . 51177 1 3 -1 GLY . 51177 1 4 0 MET . 51177 1 5 1 SER . 51177 1 6 2 GLY . 51177 1 7 3 ARG . 51177 1 8 4 GLY . 51177 1 9 5 LYS . 51177 1 10 6 GLN . 51177 1 11 7 GLY . 51177 1 12 8 GLY . 51177 1 13 9 LYS . 51177 1 14 10 ALA . 51177 1 15 11 ARG . 51177 1 16 12 ALA . 51177 1 17 13 LYS . 51177 1 18 14 ALA . 51177 1 19 15 LYS . 51177 1 20 16 THR . 51177 1 21 17 ARG . 51177 1 22 18 SER . 51177 1 23 19 SER . 51177 1 24 20 ARG . 51177 1 25 21 ALA . 51177 1 26 22 GLY . 51177 1 27 23 LEU . 51177 1 28 24 GLN . 51177 1 29 25 PHE . 51177 1 30 26 PRO . 51177 1 31 27 VAL . 51177 1 32 28 GLY . 51177 1 33 29 ARG . 51177 1 34 30 VAL . 51177 1 35 31 HIS . 51177 1 36 32 ARG . 51177 1 37 33 LEU . 51177 1 38 34 LEU . 51177 1 39 35 ARG . 51177 1 40 36 LYS . 51177 1 41 37 GLY . 51177 1 42 38 ASN . 51177 1 43 39 TYR . 51177 1 44 40 SER . 51177 1 45 41 GLU . 51177 1 46 42 ARG . 51177 1 47 43 VAL . 51177 1 48 44 GLY . 51177 1 49 45 ALA . 51177 1 50 46 GLY . 51177 1 51 47 ALA . 51177 1 52 48 PRO . 51177 1 53 49 VAL . 51177 1 54 50 TYR . 51177 1 55 51 LEU . 51177 1 56 52 ALA . 51177 1 57 53 ALA . 51177 1 58 54 VAL . 51177 1 59 55 LEU . 51177 1 60 56 GLU . 51177 1 61 57 TYR . 51177 1 62 58 LEU . 51177 1 63 59 THR . 51177 1 64 60 ALA . 51177 1 65 61 GLU . 51177 1 66 62 ILE . 51177 1 67 63 LEU . 51177 1 68 64 GLU . 51177 1 69 65 LEU . 51177 1 70 66 ALA . 51177 1 71 67 GLY . 51177 1 72 68 ASN . 51177 1 73 69 ALA . 51177 1 74 70 ALA . 51177 1 75 71 ARG . 51177 1 76 72 ASP . 51177 1 77 73 ASN . 51177 1 78 74 LYS . 51177 1 79 75 LYS . 51177 1 80 76 THR . 51177 1 81 77 ARG . 51177 1 82 78 ILE . 51177 1 83 79 ILE . 51177 1 84 80 PRO . 51177 1 85 81 ARG . 51177 1 86 82 HIS . 51177 1 87 83 LEU . 51177 1 88 84 GLN . 51177 1 89 85 LEU . 51177 1 90 86 ALA . 51177 1 91 87 ILE . 51177 1 92 88 ARG . 51177 1 93 89 ASN . 51177 1 94 90 ASP . 51177 1 95 91 GLU . 51177 1 96 92 GLU . 51177 1 97 93 LEU . 51177 1 98 94 ASN . 51177 1 99 95 LYS . 51177 1 100 96 LEU . 51177 1 101 97 LEU . 51177 1 102 98 GLY . 51177 1 103 99 ARG . 51177 1 104 100 VAL . 51177 1 105 101 THR . 51177 1 106 102 ILE . 51177 1 107 103 ALA . 51177 1 108 104 GLN . 51177 1 109 105 GLY . 51177 1 110 106 GLY . 51177 1 111 107 VAL . 51177 1 112 108 LEU . 51177 1 113 109 PRO . 51177 1 114 110 ASN . 51177 1 115 111 ILE . 51177 1 116 112 GLN . 51177 1 117 113 ALA . 51177 1 118 114 VAL . 51177 1 119 115 LEU . 51177 1 120 116 LEU . 51177 1 121 117 PRO . 51177 1 122 118 LYS . 51177 1 123 119 LYS . 51177 1 124 120 THR . 51177 1 125 121 GLU . 51177 1 126 122 SER . 51177 1 127 123 HIS . 51177 1 128 124 HIS . 51177 1 129 125 LYS . 51177 1 130 126 ALA . 51177 1 131 127 LYS . 51177 1 132 128 GLY . 51177 1 133 129 LYS . 51177 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51177 1 . PRO 2 2 51177 1 . GLY 3 3 51177 1 . MET 4 4 51177 1 . SER 5 5 51177 1 . GLY 6 6 51177 1 . ARG 7 7 51177 1 . GLY 8 8 51177 1 . LYS 9 9 51177 1 . GLN 10 10 51177 1 . GLY 11 11 51177 1 . GLY 12 12 51177 1 . LYS 13 13 51177 1 . ALA 14 14 51177 1 . ARG 15 15 51177 1 . ALA 16 16 51177 1 . LYS 17 17 51177 1 . ALA 18 18 51177 1 . LYS 19 19 51177 1 . THR 20 20 51177 1 . ARG 21 21 51177 1 . SER 22 22 51177 1 . SER 23 23 51177 1 . ARG 24 24 51177 1 . ALA 25 25 51177 1 . GLY 26 26 51177 1 . LEU 27 27 51177 1 . GLN 28 28 51177 1 . PHE 29 29 51177 1 . PRO 30 30 51177 1 . VAL 31 31 51177 1 . GLY 32 32 51177 1 . ARG 33 33 51177 1 . VAL 34 34 51177 1 . HIS 35 35 51177 1 . ARG 36 36 51177 1 . LEU 37 37 51177 1 . LEU 38 38 51177 1 . ARG 39 39 51177 1 . LYS 40 40 51177 1 . GLY 41 41 51177 1 . ASN 42 42 51177 1 . TYR 43 43 51177 1 . SER 44 44 51177 1 . GLU 45 45 51177 1 . ARG 46 46 51177 1 . VAL 47 47 51177 1 . GLY 48 48 51177 1 . ALA 49 49 51177 1 . GLY 50 50 51177 1 . ALA 51 51 51177 1 . PRO 52 52 51177 1 . VAL 53 53 51177 1 . TYR 54 54 51177 1 . LEU 55 55 51177 1 . ALA 56 56 51177 1 . ALA 57 57 51177 1 . VAL 58 58 51177 1 . LEU 59 59 51177 1 . GLU 60 60 51177 1 . TYR 61 61 51177 1 . LEU 62 62 51177 1 . THR 63 63 51177 1 . ALA 64 64 51177 1 . GLU 65 65 51177 1 . ILE 66 66 51177 1 . LEU 67 67 51177 1 . GLU 68 68 51177 1 . LEU 69 69 51177 1 . ALA 70 70 51177 1 . GLY 71 71 51177 1 . ASN 72 72 51177 1 . ALA 73 73 51177 1 . ALA 74 74 51177 1 . ARG 75 75 51177 1 . ASP 76 76 51177 1 . ASN 77 77 51177 1 . LYS 78 78 51177 1 . LYS 79 79 51177 1 . THR 80 80 51177 1 . ARG 81 81 51177 1 . ILE 82 82 51177 1 . ILE 83 83 51177 1 . PRO 84 84 51177 1 . ARG 85 85 51177 1 . HIS 86 86 51177 1 . LEU 87 87 51177 1 . GLN 88 88 51177 1 . LEU 89 89 51177 1 . ALA 90 90 51177 1 . ILE 91 91 51177 1 . ARG 92 92 51177 1 . ASN 93 93 51177 1 . ASP 94 94 51177 1 . GLU 95 95 51177 1 . GLU 96 96 51177 1 . LEU 97 97 51177 1 . ASN 98 98 51177 1 . LYS 99 99 51177 1 . LEU 100 100 51177 1 . LEU 101 101 51177 1 . GLY 102 102 51177 1 . ARG 103 103 51177 1 . VAL 104 104 51177 1 . THR 105 105 51177 1 . ILE 106 106 51177 1 . ALA 107 107 51177 1 . GLN 108 108 51177 1 . GLY 109 109 51177 1 . GLY 110 110 51177 1 . VAL 111 111 51177 1 . LEU 112 112 51177 1 . PRO 113 113 51177 1 . ASN 114 114 51177 1 . ILE 115 115 51177 1 . GLN 116 116 51177 1 . ALA 117 117 51177 1 . VAL 118 118 51177 1 . LEU 119 119 51177 1 . LEU 120 120 51177 1 . PRO 121 121 51177 1 . LYS 122 122 51177 1 . LYS 123 123 51177 1 . THR 124 124 51177 1 . GLU 125 125 51177 1 . SER 126 126 51177 1 . HIS 127 127 51177 1 . HIS 128 128 51177 1 . LYS 129 129 51177 1 . ALA 130 130 51177 1 . LYS 131 131 51177 1 . GLY 132 132 51177 1 . LYS 133 133 51177 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51177 _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 ; GPGMPEPAKSAPAPKKGSKK AVTKAQKKDGKKRKRSRKES YSIYVYKVLKQVHPDTGISS KAMGIMNSFVNDIFERIAGE ASRLAHYNKRSTITSREIQT AVRLLLPGELAKHAVSEGTK AVTKYTSAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _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 -3 GLY . 51177 2 2 -2 PRO . 51177 2 3 -1 GLY . 51177 2 4 0 MET . 51177 2 5 1 PRO . 51177 2 6 2 GLU . 51177 2 7 3 PRO . 51177 2 8 4 ALA . 51177 2 9 5 LYS . 51177 2 10 6 SER . 51177 2 11 7 ALA . 51177 2 12 8 PRO . 51177 2 13 9 ALA . 51177 2 14 10 PRO . 51177 2 15 11 LYS . 51177 2 16 12 LYS . 51177 2 17 13 GLY . 51177 2 18 14 SER . 51177 2 19 15 LYS . 51177 2 20 16 LYS . 51177 2 21 17 ALA . 51177 2 22 18 VAL . 51177 2 23 19 THR . 51177 2 24 20 LYS . 51177 2 25 21 ALA . 51177 2 26 22 GLN . 51177 2 27 23 LYS . 51177 2 28 24 LYS . 51177 2 29 25 ASP . 51177 2 30 26 GLY . 51177 2 31 27 LYS . 51177 2 32 28 LYS . 51177 2 33 29 ARG . 51177 2 34 30 LYS . 51177 2 35 31 ARG . 51177 2 36 32 SER . 51177 2 37 33 ARG . 51177 2 38 34 LYS . 51177 2 39 35 GLU . 51177 2 40 36 SER . 51177 2 41 37 TYR . 51177 2 42 38 SER . 51177 2 43 39 ILE . 51177 2 44 40 TYR . 51177 2 45 41 VAL . 51177 2 46 42 TYR . 51177 2 47 43 LYS . 51177 2 48 44 VAL . 51177 2 49 45 LEU . 51177 2 50 46 LYS . 51177 2 51 47 GLN . 51177 2 52 48 VAL . 51177 2 53 49 HIS . 51177 2 54 50 PRO . 51177 2 55 51 ASP . 51177 2 56 52 THR . 51177 2 57 53 GLY . 51177 2 58 54 ILE . 51177 2 59 55 SER . 51177 2 60 56 SER . 51177 2 61 57 LYS . 51177 2 62 58 ALA . 51177 2 63 59 MET . 51177 2 64 60 GLY . 51177 2 65 61 ILE . 51177 2 66 62 MET . 51177 2 67 63 ASN . 51177 2 68 64 SER . 51177 2 69 65 PHE . 51177 2 70 66 VAL . 51177 2 71 67 ASN . 51177 2 72 68 ASP . 51177 2 73 69 ILE . 51177 2 74 70 PHE . 51177 2 75 71 GLU . 51177 2 76 72 ARG . 51177 2 77 73 ILE . 51177 2 78 74 ALA . 51177 2 79 75 GLY . 51177 2 80 76 GLU . 51177 2 81 77 ALA . 51177 2 82 78 SER . 51177 2 83 79 ARG . 51177 2 84 80 LEU . 51177 2 85 81 ALA . 51177 2 86 82 HIS . 51177 2 87 83 TYR . 51177 2 88 84 ASN . 51177 2 89 85 LYS . 51177 2 90 86 ARG . 51177 2 91 87 SER . 51177 2 92 88 THR . 51177 2 93 89 ILE . 51177 2 94 90 THR . 51177 2 95 91 SER . 51177 2 96 92 ARG . 51177 2 97 93 GLU . 51177 2 98 94 ILE . 51177 2 99 95 GLN . 51177 2 100 96 THR . 51177 2 101 97 ALA . 51177 2 102 98 VAL . 51177 2 103 99 ARG . 51177 2 104 100 LEU . 51177 2 105 101 LEU . 51177 2 106 102 LEU . 51177 2 107 103 PRO . 51177 2 108 104 GLY . 51177 2 109 105 GLU . 51177 2 110 106 LEU . 51177 2 111 107 ALA . 51177 2 112 108 LYS . 51177 2 113 109 HIS . 51177 2 114 110 ALA . 51177 2 115 111 VAL . 51177 2 116 112 SER . 51177 2 117 113 GLU . 51177 2 118 114 GLY . 51177 2 119 115 THR . 51177 2 120 116 LYS . 51177 2 121 117 ALA . 51177 2 122 118 VAL . 51177 2 123 119 THR . 51177 2 124 120 LYS . 51177 2 125 121 TYR . 51177 2 126 122 THR . 51177 2 127 123 SER . 51177 2 128 124 ALA . 51177 2 129 125 LYS . 51177 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 . GLY 1 1 51177 2 . PRO 2 2 51177 2 . GLY 3 3 51177 2 . MET 4 4 51177 2 . PRO 5 5 51177 2 . GLU 6 6 51177 2 . PRO 7 7 51177 2 . ALA 8 8 51177 2 . LYS 9 9 51177 2 . SER 10 10 51177 2 . ALA 11 11 51177 2 . PRO 12 12 51177 2 . ALA 13 13 51177 2 . PRO 14 14 51177 2 . LYS 15 15 51177 2 . LYS 16 16 51177 2 . GLY 17 17 51177 2 . SER 18 18 51177 2 . LYS 19 19 51177 2 . LYS 20 20 51177 2 . ALA 21 21 51177 2 . VAL 22 22 51177 2 . THR 23 23 51177 2 . LYS 24 24 51177 2 . ALA 25 25 51177 2 . GLN 26 26 51177 2 . LYS 27 27 51177 2 . LYS 28 28 51177 2 . ASP 29 29 51177 2 . GLY 30 30 51177 2 . LYS 31 31 51177 2 . LYS 32 32 51177 2 . ARG 33 33 51177 2 . LYS 34 34 51177 2 . ARG 35 35 51177 2 . SER 36 36 51177 2 . ARG 37 37 51177 2 . LYS 38 38 51177 2 . GLU 39 39 51177 2 . SER 40 40 51177 2 . TYR 41 41 51177 2 . SER 42 42 51177 2 . ILE 43 43 51177 2 . TYR 44 44 51177 2 . VAL 45 45 51177 2 . TYR 46 46 51177 2 . LYS 47 47 51177 2 . VAL 48 48 51177 2 . LEU 49 49 51177 2 . LYS 50 50 51177 2 . GLN 51 51 51177 2 . VAL 52 52 51177 2 . HIS 53 53 51177 2 . PRO 54 54 51177 2 . ASP 55 55 51177 2 . THR 56 56 51177 2 . GLY 57 57 51177 2 . ILE 58 58 51177 2 . SER 59 59 51177 2 . SER 60 60 51177 2 . LYS 61 61 51177 2 . ALA 62 62 51177 2 . MET 63 63 51177 2 . GLY 64 64 51177 2 . ILE 65 65 51177 2 . MET 66 66 51177 2 . ASN 67 67 51177 2 . SER 68 68 51177 2 . PHE 69 69 51177 2 . VAL 70 70 51177 2 . ASN 71 71 51177 2 . ASP 72 72 51177 2 . ILE 73 73 51177 2 . PHE 74 74 51177 2 . GLU 75 75 51177 2 . ARG 76 76 51177 2 . ILE 77 77 51177 2 . ALA 78 78 51177 2 . GLY 79 79 51177 2 . GLU 80 80 51177 2 . ALA 81 81 51177 2 . SER 82 82 51177 2 . ARG 83 83 51177 2 . LEU 84 84 51177 2 . ALA 85 85 51177 2 . HIS 86 86 51177 2 . TYR 87 87 51177 2 . ASN 88 88 51177 2 . LYS 89 89 51177 2 . ARG 90 90 51177 2 . SER 91 91 51177 2 . THR 92 92 51177 2 . ILE 93 93 51177 2 . THR 94 94 51177 2 . SER 95 95 51177 2 . ARG 96 96 51177 2 . GLU 97 97 51177 2 . ILE 98 98 51177 2 . GLN 99 99 51177 2 . THR 100 100 51177 2 . ALA 101 101 51177 2 . VAL 102 102 51177 2 . ARG 103 103 51177 2 . LEU 104 104 51177 2 . LEU 105 105 51177 2 . LEU 106 106 51177 2 . PRO 107 107 51177 2 . GLY 108 108 51177 2 . GLU 109 109 51177 2 . LEU 110 110 51177 2 . ALA 111 111 51177 2 . LYS 112 112 51177 2 . HIS 113 113 51177 2 . ALA 114 114 51177 2 . VAL 115 115 51177 2 . SER 116 116 51177 2 . GLU 117 117 51177 2 . GLY 118 118 51177 2 . THR 119 119 51177 2 . LYS 120 120 51177 2 . ALA 121 121 51177 2 . VAL 122 122 51177 2 . THR 123 123 51177 2 . LYS 124 124 51177 2 . TYR 125 125 51177 2 . THR 126 126 51177 2 . SER 127 127 51177 2 . ALA 128 128 51177 2 . LYS 129 129 51177 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51177 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTEL LIRKLPFQRLVREIAQDFKT DLRFQSSAVMALQEACEAYL VGLFEDTNLCAIHAKRVTIM PKDIQLARRIRGERA ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . ALA . 51177 3 2 . ARG . 51177 3 3 . THR . 51177 3 4 . LYS . 51177 3 5 . GLN . 51177 3 6 . THR . 51177 3 7 . ALA . 51177 3 8 . ARG . 51177 3 9 . LYS . 51177 3 10 . SER . 51177 3 11 . THR . 51177 3 12 . GLY . 51177 3 13 . GLY . 51177 3 14 . LYS . 51177 3 15 . ALA . 51177 3 16 . PRO . 51177 3 17 . ARG . 51177 3 18 . LYS . 51177 3 19 . GLN . 51177 3 20 . LEU . 51177 3 21 . ALA . 51177 3 22 . THR . 51177 3 23 . LYS . 51177 3 24 . ALA . 51177 3 25 . ALA . 51177 3 26 . ARG . 51177 3 27 . LYS . 51177 3 28 . SER . 51177 3 29 . ALA . 51177 3 30 . PRO . 51177 3 31 . ALA . 51177 3 32 . THR . 51177 3 33 . GLY . 51177 3 34 . GLY . 51177 3 35 . VAL . 51177 3 36 . LYS . 51177 3 37 . LYS . 51177 3 38 . PRO . 51177 3 39 . HIS . 51177 3 40 . ARG . 51177 3 41 . TYR . 51177 3 42 . ARG . 51177 3 43 . PRO . 51177 3 44 . GLY . 51177 3 45 . THR . 51177 3 46 . VAL . 51177 3 47 . ALA . 51177 3 48 . LEU . 51177 3 49 . ARG . 51177 3 50 . GLU . 51177 3 51 . ILE . 51177 3 52 . ARG . 51177 3 53 . ARG . 51177 3 54 . TYR . 51177 3 55 . GLN . 51177 3 56 . LYS . 51177 3 57 . SER . 51177 3 58 . THR . 51177 3 59 . GLU . 51177 3 60 . LEU . 51177 3 61 . LEU . 51177 3 62 . ILE . 51177 3 63 . ARG . 51177 3 64 . LYS . 51177 3 65 . LEU . 51177 3 66 . PRO . 51177 3 67 . PHE . 51177 3 68 . GLN . 51177 3 69 . ARG . 51177 3 70 . LEU . 51177 3 71 . VAL . 51177 3 72 . ARG . 51177 3 73 . GLU . 51177 3 74 . ILE . 51177 3 75 . ALA . 51177 3 76 . GLN . 51177 3 77 . ASP . 51177 3 78 . PHE . 51177 3 79 . LYS . 51177 3 80 . THR . 51177 3 81 . ASP . 51177 3 82 . LEU . 51177 3 83 . ARG . 51177 3 84 . PHE . 51177 3 85 . GLN . 51177 3 86 . SER . 51177 3 87 . SER . 51177 3 88 . ALA . 51177 3 89 . VAL . 51177 3 90 . MET . 51177 3 91 . ALA . 51177 3 92 . LEU . 51177 3 93 . GLN . 51177 3 94 . GLU . 51177 3 95 . ALA . 51177 3 96 . CYS . 51177 3 97 . GLU . 51177 3 98 . ALA . 51177 3 99 . TYR . 51177 3 100 . LEU . 51177 3 101 . VAL . 51177 3 102 . GLY . 51177 3 103 . LEU . 51177 3 104 . PHE . 51177 3 105 . GLU . 51177 3 106 . ASP . 51177 3 107 . THR . 51177 3 108 . ASN . 51177 3 109 . LEU . 51177 3 110 . CYS . 51177 3 111 . ALA . 51177 3 112 . ILE . 51177 3 113 . HIS . 51177 3 114 . ALA . 51177 3 115 . LYS . 51177 3 116 . ARG . 51177 3 117 . VAL . 51177 3 118 . THR . 51177 3 119 . ILE . 51177 3 120 . MET . 51177 3 121 . PRO . 51177 3 122 . LYS . 51177 3 123 . ASP . 51177 3 124 . ILE . 51177 3 125 . GLN . 51177 3 126 . LEU . 51177 3 127 . ALA . 51177 3 128 . ARG . 51177 3 129 . ARG . 51177 3 130 . ILE . 51177 3 131 . ARG . 51177 3 132 . GLY . 51177 3 133 . GLU . 51177 3 134 . ARG . 51177 3 135 . ALA . 51177 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 . ALA 1 1 51177 3 . ARG 2 2 51177 3 . THR 3 3 51177 3 . LYS 4 4 51177 3 . GLN 5 5 51177 3 . THR 6 6 51177 3 . ALA 7 7 51177 3 . ARG 8 8 51177 3 . LYS 9 9 51177 3 . SER 10 10 51177 3 . THR 11 11 51177 3 . GLY 12 12 51177 3 . GLY 13 13 51177 3 . LYS 14 14 51177 3 . ALA 15 15 51177 3 . PRO 16 16 51177 3 . ARG 17 17 51177 3 . LYS 18 18 51177 3 . GLN 19 19 51177 3 . LEU 20 20 51177 3 . ALA 21 21 51177 3 . THR 22 22 51177 3 . LYS 23 23 51177 3 . ALA 24 24 51177 3 . ALA 25 25 51177 3 . ARG 26 26 51177 3 . LYS 27 27 51177 3 . SER 28 28 51177 3 . ALA 29 29 51177 3 . PRO 30 30 51177 3 . ALA 31 31 51177 3 . THR 32 32 51177 3 . GLY 33 33 51177 3 . GLY 34 34 51177 3 . VAL 35 35 51177 3 . LYS 36 36 51177 3 . LYS 37 37 51177 3 . PRO 38 38 51177 3 . HIS 39 39 51177 3 . ARG 40 40 51177 3 . TYR 41 41 51177 3 . ARG 42 42 51177 3 . PRO 43 43 51177 3 . GLY 44 44 51177 3 . THR 45 45 51177 3 . VAL 46 46 51177 3 . ALA 47 47 51177 3 . LEU 48 48 51177 3 . ARG 49 49 51177 3 . GLU 50 50 51177 3 . ILE 51 51 51177 3 . ARG 52 52 51177 3 . ARG 53 53 51177 3 . TYR 54 54 51177 3 . GLN 55 55 51177 3 . LYS 56 56 51177 3 . SER 57 57 51177 3 . THR 58 58 51177 3 . GLU 59 59 51177 3 . LEU 60 60 51177 3 . LEU 61 61 51177 3 . ILE 62 62 51177 3 . ARG 63 63 51177 3 . LYS 64 64 51177 3 . LEU 65 65 51177 3 . PRO 66 66 51177 3 . PHE 67 67 51177 3 . GLN 68 68 51177 3 . ARG 69 69 51177 3 . LEU 70 70 51177 3 . VAL 71 71 51177 3 . ARG 72 72 51177 3 . GLU 73 73 51177 3 . ILE 74 74 51177 3 . ALA 75 75 51177 3 . GLN 76 76 51177 3 . ASP 77 77 51177 3 . PHE 78 78 51177 3 . LYS 79 79 51177 3 . THR 80 80 51177 3 . ASP 81 81 51177 3 . LEU 82 82 51177 3 . ARG 83 83 51177 3 . PHE 84 84 51177 3 . GLN 85 85 51177 3 . SER 86 86 51177 3 . SER 87 87 51177 3 . ALA 88 88 51177 3 . VAL 89 89 51177 3 . MET 90 90 51177 3 . ALA 91 91 51177 3 . LEU 92 92 51177 3 . GLN 93 93 51177 3 . GLU 94 94 51177 3 . ALA 95 95 51177 3 . CYS 96 96 51177 3 . GLU 97 97 51177 3 . ALA 98 98 51177 3 . TYR 99 99 51177 3 . LEU 100 100 51177 3 . VAL 101 101 51177 3 . GLY 102 102 51177 3 . LEU 103 103 51177 3 . PHE 104 104 51177 3 . GLU 105 105 51177 3 . ASP 106 106 51177 3 . THR 107 107 51177 3 . ASN 108 108 51177 3 . LEU 109 109 51177 3 . CYS 110 110 51177 3 . ALA 111 111 51177 3 . ILE 112 112 51177 3 . HIS 113 113 51177 3 . ALA 114 114 51177 3 . LYS 115 115 51177 3 . ARG 116 116 51177 3 . VAL 117 117 51177 3 . THR 118 118 51177 3 . ILE 119 119 51177 3 . MET 120 120 51177 3 . PRO 121 121 51177 3 . LYS 122 122 51177 3 . ASP 123 123 51177 3 . ILE 124 124 51177 3 . GLN 125 125 51177 3 . LEU 126 126 51177 3 . ALA 127 127 51177 3 . ARG 128 128 51177 3 . ARG 129 129 51177 3 . ILE 130 130 51177 3 . ARG 131 131 51177 3 . GLY 132 132 51177 3 . GLU 133 133 51177 3 . ARG 134 134 51177 3 . ALA 135 135 51177 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 51177 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; SGRGKGGKGLGKGGAKRHRK VLRDNIQGITKPAIRRLARR GGVKRISGLIYEETRGVLKV FLENVIRDAVTYTEHAKRKT VTAMDVVYALKRQGRTLYGF GG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _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 . SER . 51177 4 2 . GLY . 51177 4 3 . ARG . 51177 4 4 . GLY . 51177 4 5 . LYS . 51177 4 6 . GLY . 51177 4 7 . GLY . 51177 4 8 . LYS . 51177 4 9 . GLY . 51177 4 10 . LEU . 51177 4 11 . GLY . 51177 4 12 . LYS . 51177 4 13 . GLY . 51177 4 14 . GLY . 51177 4 15 . ALA . 51177 4 16 . LYS . 51177 4 17 . ARG . 51177 4 18 . HIS . 51177 4 19 . ARG . 51177 4 20 . LYS . 51177 4 21 . VAL . 51177 4 22 . LEU . 51177 4 23 . ARG . 51177 4 24 . ASP . 51177 4 25 . ASN . 51177 4 26 . ILE . 51177 4 27 . GLN . 51177 4 28 . GLY . 51177 4 29 . ILE . 51177 4 30 . THR . 51177 4 31 . LYS . 51177 4 32 . PRO . 51177 4 33 . ALA . 51177 4 34 . ILE . 51177 4 35 . ARG . 51177 4 36 . ARG . 51177 4 37 . LEU . 51177 4 38 . ALA . 51177 4 39 . ARG . 51177 4 40 . ARG . 51177 4 41 . GLY . 51177 4 42 . GLY . 51177 4 43 . VAL . 51177 4 44 . LYS . 51177 4 45 . ARG . 51177 4 46 . ILE . 51177 4 47 . SER . 51177 4 48 . GLY . 51177 4 49 . LEU . 51177 4 50 . ILE . 51177 4 51 . TYR . 51177 4 52 . GLU . 51177 4 53 . GLU . 51177 4 54 . THR . 51177 4 55 . ARG . 51177 4 56 . GLY . 51177 4 57 . VAL . 51177 4 58 . LEU . 51177 4 59 . LYS . 51177 4 60 . VAL . 51177 4 61 . PHE . 51177 4 62 . LEU . 51177 4 63 . GLU . 51177 4 64 . ASN . 51177 4 65 . VAL . 51177 4 66 . ILE . 51177 4 67 . ARG . 51177 4 68 . ASP . 51177 4 69 . ALA . 51177 4 70 . VAL . 51177 4 71 . THR . 51177 4 72 . TYR . 51177 4 73 . THR . 51177 4 74 . GLU . 51177 4 75 . HIS . 51177 4 76 . ALA . 51177 4 77 . LYS . 51177 4 78 . ARG . 51177 4 79 . LYS . 51177 4 80 . THR . 51177 4 81 . VAL . 51177 4 82 . THR . 51177 4 83 . ALA . 51177 4 84 . MET . 51177 4 85 . ASP . 51177 4 86 . VAL . 51177 4 87 . VAL . 51177 4 88 . TYR . 51177 4 89 . ALA . 51177 4 90 . LEU . 51177 4 91 . LYS . 51177 4 92 . ARG . 51177 4 93 . GLN . 51177 4 94 . GLY . 51177 4 95 . ARG . 51177 4 96 . THR . 51177 4 97 . LEU . 51177 4 98 . TYR . 51177 4 99 . GLY . 51177 4 100 . PHE . 51177 4 101 . GLY . 51177 4 102 . GLY . 51177 4 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 51177 4 . GLY 2 2 51177 4 . ARG 3 3 51177 4 . GLY 4 4 51177 4 . LYS 5 5 51177 4 . GLY 6 6 51177 4 . GLY 7 7 51177 4 . LYS 8 8 51177 4 . GLY 9 9 51177 4 . LEU 10 10 51177 4 . GLY 11 11 51177 4 . LYS 12 12 51177 4 . GLY 13 13 51177 4 . GLY 14 14 51177 4 . ALA 15 15 51177 4 . LYS 16 16 51177 4 . ARG 17 17 51177 4 . HIS 18 18 51177 4 . ARG 19 19 51177 4 . LYS 20 20 51177 4 . VAL 21 21 51177 4 . LEU 22 22 51177 4 . ARG 23 23 51177 4 . ASP 24 24 51177 4 . ASN 25 25 51177 4 . ILE 26 26 51177 4 . GLN 27 27 51177 4 . GLY 28 28 51177 4 . ILE 29 29 51177 4 . THR 30 30 51177 4 . LYS 31 31 51177 4 . PRO 32 32 51177 4 . ALA 33 33 51177 4 . ILE 34 34 51177 4 . ARG 35 35 51177 4 . ARG 36 36 51177 4 . LEU 37 37 51177 4 . ALA 38 38 51177 4 . ARG 39 39 51177 4 . ARG 40 40 51177 4 . GLY 41 41 51177 4 . GLY 42 42 51177 4 . VAL 43 43 51177 4 . LYS 44 44 51177 4 . ARG 45 45 51177 4 . ILE 46 46 51177 4 . SER 47 47 51177 4 . GLY 48 48 51177 4 . LEU 49 49 51177 4 . ILE 50 50 51177 4 . TYR 51 51 51177 4 . GLU 52 52 51177 4 . GLU 53 53 51177 4 . THR 54 54 51177 4 . ARG 55 55 51177 4 . GLY 56 56 51177 4 . VAL 57 57 51177 4 . LEU 58 58 51177 4 . LYS 59 59 51177 4 . VAL 60 60 51177 4 . PHE 61 61 51177 4 . LEU 62 62 51177 4 . GLU 63 63 51177 4 . ASN 64 64 51177 4 . VAL 65 65 51177 4 . ILE 66 66 51177 4 . ARG 67 67 51177 4 . ASP 68 68 51177 4 . ALA 69 69 51177 4 . VAL 70 70 51177 4 . THR 71 71 51177 4 . TYR 72 72 51177 4 . THR 73 73 51177 4 . GLU 74 74 51177 4 . HIS 75 75 51177 4 . ALA 76 76 51177 4 . LYS 77 77 51177 4 . ARG 78 78 51177 4 . LYS 79 79 51177 4 . THR 80 80 51177 4 . VAL 81 81 51177 4 . THR 82 82 51177 4 . ALA 83 83 51177 4 . MET 84 84 51177 4 . ASP 85 85 51177 4 . VAL 86 86 51177 4 . VAL 87 87 51177 4 . TYR 88 88 51177 4 . ALA 89 89 51177 4 . LEU 90 90 51177 4 . LYS 91 91 51177 4 . ARG 92 92 51177 4 . GLN 93 93 51177 4 . GLY 94 94 51177 4 . ARG 95 95 51177 4 . THR 96 96 51177 4 . LEU 97 97 51177 4 . TYR 98 98 51177 4 . GLY 99 99 51177 4 . PHE 100 100 51177 4 . GLY 101 101 51177 4 . GLY 102 102 51177 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 51177 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATCTAGACAGCTCTAGCACC GCTTAAACGCACGTACGCGC TGTCCCCCGCGTTTTAACCG CCAAGGGGATTACTCCCTAG TCTCCAGGCACGTGTCAGAT ATATACATCGAT ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 5 _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 . DA . 51177 5 2 . DT . 51177 5 3 . DC . 51177 5 4 . DT . 51177 5 5 . DA . 51177 5 6 . DG . 51177 5 7 . DA . 51177 5 8 . DC . 51177 5 9 . DA . 51177 5 10 . DG . 51177 5 11 . DC . 51177 5 12 . DT . 51177 5 13 . DC . 51177 5 14 . DT . 51177 5 15 . DA . 51177 5 16 . DG . 51177 5 17 . DC . 51177 5 18 . DA . 51177 5 19 . DC . 51177 5 20 . DC . 51177 5 21 . DG . 51177 5 22 . DC . 51177 5 23 . DT . 51177 5 24 . DT . 51177 5 25 . DA . 51177 5 26 . DA . 51177 5 27 . DA . 51177 5 28 . DC . 51177 5 29 . DG . 51177 5 30 . DC . 51177 5 31 . DA . 51177 5 32 . DC . 51177 5 33 . DG . 51177 5 34 . DT . 51177 5 35 . DA . 51177 5 36 . DC . 51177 5 37 . DG . 51177 5 38 . DC . 51177 5 39 . DG . 51177 5 40 . DC . 51177 5 41 . DT . 51177 5 42 . DG . 51177 5 43 . DT . 51177 5 44 . DC . 51177 5 45 . DC . 51177 5 46 . DC . 51177 5 47 . DC . 51177 5 48 . DC . 51177 5 49 . DG . 51177 5 50 . DC . 51177 5 51 . DG . 51177 5 52 . DT . 51177 5 53 . DT . 51177 5 54 . DT . 51177 5 55 . DT . 51177 5 56 . DA . 51177 5 57 . DA . 51177 5 58 . DC . 51177 5 59 . DC . 51177 5 60 . DG . 51177 5 61 . DC . 51177 5 62 . DC . 51177 5 63 . DA . 51177 5 64 . DA . 51177 5 65 . DG . 51177 5 66 . DG . 51177 5 67 . DG . 51177 5 68 . DG . 51177 5 69 . DA . 51177 5 70 . DT . 51177 5 71 . DT . 51177 5 72 . DA . 51177 5 73 . DC . 51177 5 74 . DT . 51177 5 75 . DC . 51177 5 76 . DC . 51177 5 77 . DC . 51177 5 78 . DT . 51177 5 79 . DA . 51177 5 80 . DG . 51177 5 81 . DT . 51177 5 82 . DC . 51177 5 83 . DT . 51177 5 84 . DC . 51177 5 85 . DC . 51177 5 86 . DA . 51177 5 87 . DG . 51177 5 88 . DG . 51177 5 89 . DC . 51177 5 90 . DA . 51177 5 91 . DC . 51177 5 92 . DG . 51177 5 93 . DT . 51177 5 94 . DG . 51177 5 95 . DT . 51177 5 96 . DC . 51177 5 97 . DA . 51177 5 98 . DG . 51177 5 99 . DA . 51177 5 100 . DT . 51177 5 101 . DA . 51177 5 102 . DT . 51177 5 103 . DA . 51177 5 104 . DT . 51177 5 105 . DA . 51177 5 106 . DC . 51177 5 107 . DA . 51177 5 108 . DT . 51177 5 109 . DC . 51177 5 110 . DG . 51177 5 111 . DA . 51177 5 112 . DT . 51177 5 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 . DA 1 1 51177 5 . DT 2 2 51177 5 . DC 3 3 51177 5 . DT 4 4 51177 5 . DA 5 5 51177 5 . DG 6 6 51177 5 . DA 7 7 51177 5 . DC 8 8 51177 5 . DA 9 9 51177 5 . DG 10 10 51177 5 . DC 11 11 51177 5 . DT 12 12 51177 5 . DC 13 13 51177 5 . DT 14 14 51177 5 . DA 15 15 51177 5 . DG 16 16 51177 5 . DC 17 17 51177 5 . DA 18 18 51177 5 . DC 19 19 51177 5 . DC 20 20 51177 5 . DG 21 21 51177 5 . DC 22 22 51177 5 . DT 23 23 51177 5 . DT 24 24 51177 5 . DA 25 25 51177 5 . DA 26 26 51177 5 . DA 27 27 51177 5 . DC 28 28 51177 5 . DG 29 29 51177 5 . DC 30 30 51177 5 . DA 31 31 51177 5 . DC 32 32 51177 5 . DG 33 33 51177 5 . DT 34 34 51177 5 . DA 35 35 51177 5 . DC 36 36 51177 5 . DG 37 37 51177 5 . DC 38 38 51177 5 . DG 39 39 51177 5 . DC 40 40 51177 5 . DT 41 41 51177 5 . DG 42 42 51177 5 . DT 43 43 51177 5 . DC 44 44 51177 5 . DC 45 45 51177 5 . DC 46 46 51177 5 . DC 47 47 51177 5 . DC 48 48 51177 5 . DG 49 49 51177 5 . DC 50 50 51177 5 . DG 51 51 51177 5 . DT 52 52 51177 5 . DT 53 53 51177 5 . DT 54 54 51177 5 . DT 55 55 51177 5 . DA 56 56 51177 5 . DA 57 57 51177 5 . DC 58 58 51177 5 . DC 59 59 51177 5 . DG 60 60 51177 5 . DC 61 61 51177 5 . DC 62 62 51177 5 . DA 63 63 51177 5 . DA 64 64 51177 5 . DG 65 65 51177 5 . DG 66 66 51177 5 . DG 67 67 51177 5 . DG 68 68 51177 5 . DA 69 69 51177 5 . DT 70 70 51177 5 . DT 71 71 51177 5 . DA 72 72 51177 5 . DC 73 73 51177 5 . DT 74 74 51177 5 . DC 75 75 51177 5 . DC 76 76 51177 5 . DC 77 77 51177 5 . DT 78 78 51177 5 . DA 79 79 51177 5 . DG 80 80 51177 5 . DT 81 81 51177 5 . DC 82 82 51177 5 . DT 83 83 51177 5 . DC 84 84 51177 5 . DC 85 85 51177 5 . DA 86 86 51177 5 . DG 87 87 51177 5 . DG 88 88 51177 5 . DC 89 89 51177 5 . DA 90 90 51177 5 . DC 91 91 51177 5 . DG 92 92 51177 5 . DT 93 93 51177 5 . DG 94 94 51177 5 . DT 95 95 51177 5 . DC 96 96 51177 5 . DA 97 97 51177 5 . DG 98 98 51177 5 . DA 99 99 51177 5 . DT 100 100 51177 5 . DA 101 101 51177 5 . DT 102 102 51177 5 . DA 103 103 51177 5 . DT 104 104 51177 5 . DA 105 105 51177 5 . DC 106 106 51177 5 . DA 107 107 51177 5 . DT 108 108 51177 5 . DC 109 109 51177 5 . DG 110 110 51177 5 . DA 111 111 51177 5 . DT 112 112 51177 5 stop_ save_ save_entity_6 _Entity.Sf_category entity _Entity.Sf_framecode entity_6 _Entity.Entry_ID 51177 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name entity_6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATCGATGTATATATCTGACA CGTGCCTGGAGACTAGGGAG TAATCCCCTTGGCGGTTAAA ACGCGGGGGACAGCGCGTAC GTGCGTTTAAGCGGTGCTAG AGCTGTCTAGAT ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 6 _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 . DA . 51177 6 2 . DT . 51177 6 3 . DC . 51177 6 4 . DG . 51177 6 5 . DA . 51177 6 6 . DT . 51177 6 7 . DG . 51177 6 8 . DT . 51177 6 9 . DA . 51177 6 10 . DT . 51177 6 11 . DA . 51177 6 12 . DT . 51177 6 13 . DA . 51177 6 14 . DT . 51177 6 15 . DC . 51177 6 16 . DT . 51177 6 17 . DG . 51177 6 18 . DA . 51177 6 19 . DC . 51177 6 20 . DA . 51177 6 21 . DC . 51177 6 22 . DG . 51177 6 23 . DT . 51177 6 24 . DG . 51177 6 25 . DC . 51177 6 26 . DC . 51177 6 27 . DT . 51177 6 28 . DG . 51177 6 29 . DG . 51177 6 30 . DA . 51177 6 31 . DG . 51177 6 32 . DA . 51177 6 33 . DC . 51177 6 34 . DT . 51177 6 35 . DA . 51177 6 36 . DG . 51177 6 37 . DG . 51177 6 38 . DG . 51177 6 39 . DA . 51177 6 40 . DG . 51177 6 41 . DT . 51177 6 42 . DA . 51177 6 43 . DA . 51177 6 44 . DT . 51177 6 45 . DC . 51177 6 46 . DC . 51177 6 47 . DC . 51177 6 48 . DC . 51177 6 49 . DT . 51177 6 50 . DT . 51177 6 51 . DG . 51177 6 52 . DG . 51177 6 53 . DC . 51177 6 54 . DG . 51177 6 55 . DG . 51177 6 56 . DT . 51177 6 57 . DT . 51177 6 58 . DA . 51177 6 59 . DA . 51177 6 60 . DA . 51177 6 61 . DA . 51177 6 62 . DC . 51177 6 63 . DG . 51177 6 64 . DC . 51177 6 65 . DG . 51177 6 66 . DG . 51177 6 67 . DG . 51177 6 68 . DG . 51177 6 69 . DG . 51177 6 70 . DA . 51177 6 71 . DC . 51177 6 72 . DA . 51177 6 73 . DG . 51177 6 74 . DC . 51177 6 75 . DG . 51177 6 76 . DC . 51177 6 77 . DG . 51177 6 78 . DT . 51177 6 79 . DA . 51177 6 80 . DC . 51177 6 81 . DG . 51177 6 82 . DT . 51177 6 83 . DG . 51177 6 84 . DC . 51177 6 85 . DG . 51177 6 86 . DT . 51177 6 87 . DT . 51177 6 88 . DT . 51177 6 89 . DA . 51177 6 90 . DA . 51177 6 91 . DG . 51177 6 92 . DC . 51177 6 93 . DG . 51177 6 94 . DG . 51177 6 95 . DT . 51177 6 96 . DG . 51177 6 97 . DC . 51177 6 98 . DT . 51177 6 99 . DA . 51177 6 100 . DG . 51177 6 101 . DA . 51177 6 102 . DG . 51177 6 103 . DC . 51177 6 104 . DT . 51177 6 105 . DG . 51177 6 106 . DT . 51177 6 107 . DC . 51177 6 108 . DT . 51177 6 109 . DA . 51177 6 110 . DG . 51177 6 111 . DA . 51177 6 112 . DT . 51177 6 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 . DA 1 1 51177 6 . DT 2 2 51177 6 . DC 3 3 51177 6 . DG 4 4 51177 6 . DA 5 5 51177 6 . DT 6 6 51177 6 . DG 7 7 51177 6 . DT 8 8 51177 6 . DA 9 9 51177 6 . DT 10 10 51177 6 . DA 11 11 51177 6 . DT 12 12 51177 6 . DA 13 13 51177 6 . DT 14 14 51177 6 . DC 15 15 51177 6 . DT 16 16 51177 6 . DG 17 17 51177 6 . DA 18 18 51177 6 . DC 19 19 51177 6 . DA 20 20 51177 6 . DC 21 21 51177 6 . DG 22 22 51177 6 . DT 23 23 51177 6 . DG 24 24 51177 6 . DC 25 25 51177 6 . DC 26 26 51177 6 . DT 27 27 51177 6 . DG 28 28 51177 6 . DG 29 29 51177 6 . DA 30 30 51177 6 . DG 31 31 51177 6 . DA 32 32 51177 6 . DC 33 33 51177 6 . DT 34 34 51177 6 . DA 35 35 51177 6 . DG 36 36 51177 6 . DG 37 37 51177 6 . DG 38 38 51177 6 . DA 39 39 51177 6 . DG 40 40 51177 6 . DT 41 41 51177 6 . DA 42 42 51177 6 . DA 43 43 51177 6 . DT 44 44 51177 6 . DC 45 45 51177 6 . DC 46 46 51177 6 . DC 47 47 51177 6 . DC 48 48 51177 6 . DT 49 49 51177 6 . DT 50 50 51177 6 . DG 51 51 51177 6 . DG 52 52 51177 6 . DC 53 53 51177 6 . DG 54 54 51177 6 . DG 55 55 51177 6 . DT 56 56 51177 6 . DT 57 57 51177 6 . DA 58 58 51177 6 . DA 59 59 51177 6 . DA 60 60 51177 6 . DA 61 61 51177 6 . DC 62 62 51177 6 . DG 63 63 51177 6 . DC 64 64 51177 6 . DG 65 65 51177 6 . DG 66 66 51177 6 . DG 67 67 51177 6 . DG 68 68 51177 6 . DG 69 69 51177 6 . DA 70 70 51177 6 . DC 71 71 51177 6 . DA 72 72 51177 6 . DG 73 73 51177 6 . DC 74 74 51177 6 . DG 75 75 51177 6 . DC 76 76 51177 6 . DG 77 77 51177 6 . DT 78 78 51177 6 . DA 79 79 51177 6 . DC 80 80 51177 6 . DG 81 81 51177 6 . DT 82 82 51177 6 . DG 83 83 51177 6 . DC 84 84 51177 6 . DG 85 85 51177 6 . DT 86 86 51177 6 . DT 87 87 51177 6 . DT 88 88 51177 6 . DA 89 89 51177 6 . DA 90 90 51177 6 . DG 91 91 51177 6 . DC 92 92 51177 6 . DG 93 93 51177 6 . DG 94 94 51177 6 . DT 95 95 51177 6 . DG 96 96 51177 6 . DC 97 97 51177 6 . DT 98 98 51177 6 . DA 99 99 51177 6 . DG 100 100 51177 6 . DA 101 101 51177 6 . DG 102 102 51177 6 . DC 103 103 51177 6 . DT 104 104 51177 6 . DG 105 105 51177 6 . DT 106 106 51177 6 . DC 107 107 51177 6 . DT 108 108 51177 6 . DA 109 109 51177 6 . DG 110 110 51177 6 . DA 111 111 51177 6 . DT 112 112 51177 6 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 51177 _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 . . . . . . . . . . . . . 51177 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51177 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51177 1 4 4 $entity_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51177 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 51177 _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 . . . 51177 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51177 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51177 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51177 _Sample.ID 1 _Sample.Name '112-bp hexasome' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Histone H2A' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 68 . . uM . . . . 51177 1 2 'Histone H2B' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $entity_2 . . 68 . . uM . . . . 51177 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51177 1 4 'Histone H3.1' 'natural abundance' . . 3 $entity_3 . . 136 . . uM . . . . 51177 1 5 'Histone H4' 'natural abundance' . . 4 $entity_4 . . 136 . . uM . . . . 51177 1 6 '112-bp 601 DNA_1' 'natural abundance' . . 5 $entity_5 . . 68 . . uM . . . . 51177 1 7 '112-bp 601 DNA_2' 'natural abundance' . . 6 $entity_6 . . 68 . . uM . . . . 51177 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51177 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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 . mM 51177 1 pH 7.0 . pH 51177 1 pressure 1 . atm 51177 1 temperature 293 . K 51177 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51177 _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 . 51177 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51177 _Software.ID 2 _Software.Type . _Software.Name Olivia _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51177 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 51177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 950-MHz spectrometers' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 51177 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51177 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 51177 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference1 _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' . . . . MHz 950.14987086 external direct 1 . . . . . 51177 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 51177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $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' . . . 51177 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 . . 51177 1 2 $software_2 . . 51177 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 . 2 . 2 10 10 SER H H 1 8.3080 0.0000 . 1 . . . . . 6 SER H . 51177 1 2 . 2 . 2 10 10 SER N N 15 117.9030 0.0000 . 1 . . . . . 6 SER N . 51177 1 3 . 2 . 2 21 21 ALA H H 1 8.3040 0.0000 . 1 . . . . . 17 ALA H . 51177 1 4 . 2 . 2 21 21 ALA N N 15 125.8240 0.0000 . 1 . . . . . 17 ALA N . 51177 1 5 . 2 . 2 22 22 VAL H H 1 8.1610 0.0000 . 1 . . . . . 18 VAL H . 51177 1 6 . 2 . 2 22 22 VAL N N 15 120.1830 0.0000 . 1 . . . . . 18 VAL N . 51177 1 7 . 2 . 2 23 23 THR H H 1 8.2140 0.0000 . 1 . . . . . 19 THR H . 51177 1 8 . 2 . 2 23 23 THR N N 15 118.6540 0.0000 . 1 . . . . . 19 THR N . 51177 1 9 . 2 . 2 25 25 ALA H H 1 8.2960 0.0000 . 1 . . . . . 21 ALA H . 51177 1 10 . 2 . 2 25 25 ALA N N 15 125.0780 0.0000 . 1 . . . . . 21 ALA N . 51177 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 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 $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' . . . 51177 2 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 . . 51177 2 2 $software_2 . . 51177 2 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 . 2 . 2 3 3 GLY H H 1 8.5920 0.0000 . 1 . . . . . -1 GLY H . 51177 2 2 . 2 . 2 3 3 GLY N N 15 110.4110 0.0000 . 1 . . . . . -1 GLY N . 51177 2 3 . 2 . 2 4 4 MET H H 1 8.1080 0.0000 . 1 . . . . . 0 MET H . 51177 2 4 . 2 . 2 4 4 MET N N 15 121.4160 0.0000 . 1 . . . . . 0 MET N . 51177 2 5 . 2 . 2 6 6 GLU H H 1 8.4410 0.0000 . 1 . . . . . 2 GLU H . 51177 2 6 . 2 . 2 6 6 GLU N N 15 122.9090 0.0000 . 1 . . . . . 2 GLU N . 51177 2 7 . 2 . 2 8 8 ALA H H 1 8.3750 0.0000 . 1 . . . . . 4 ALA H . 51177 2 8 . 2 . 2 8 8 ALA N N 15 124.4180 0.0000 . 1 . . . . . 4 ALA N . 51177 2 9 . 2 . 2 9 9 LYS H H 1 8.2860 0.0000 . 1 . . . . . 5 LYS H . 51177 2 10 . 2 . 2 9 9 LYS N N 15 121.2050 0.0000 . 1 . . . . . 5 LYS N . 51177 2 11 . 2 . 2 10 10 SER H H 1 8.2750 0.0000 . 1 . . . . . 6 SER H . 51177 2 12 . 2 . 2 10 10 SER N N 15 117.7080 0.0000 . 1 . . . . . 6 SER N . 51177 2 13 . 2 . 2 11 11 ALA H H 1 8.2930 0.0000 . 1 . . . . . 7 ALA H . 51177 2 14 . 2 . 2 11 11 ALA N N 15 127.4090 0.0000 . 1 . . . . . 7 ALA N . 51177 2 15 . 2 . 2 13 13 ALA H H 1 8.4010 0.0000 . 1 . . . . . 9 ALA H . 51177 2 16 . 2 . 2 13 13 ALA N N 15 126.1650 0.0000 . 1 . . . . . 9 ALA N . 51177 2 17 . 2 . 2 15 15 LYS H H 1 8.4420 0.0000 . 1 . . . . . 11 LYS H . 51177 2 18 . 2 . 2 15 15 LYS N N 15 122.5810 0.0000 . 1 . . . . . 11 LYS N . 51177 2 19 . 2 . 2 16 16 LYS H H 1 8.4800 0.0000 . 1 . . . . . 12 LYS H . 51177 2 20 . 2 . 2 16 16 LYS N N 15 123.7320 0.0000 . 1 . . . . . 12 LYS N . 51177 2 21 . 2 . 2 17 17 GLY H H 1 8.5350 0.0000 . 1 . . . . . 13 GLY H . 51177 2 22 . 2 . 2 17 17 GLY N N 15 111.1040 0.0000 . 1 . . . . . 13 GLY N . 51177 2 23 . 2 . 2 18 18 SER H H 1 8.2050 0.0000 . 1 . . . . . 14 SER H . 51177 2 24 . 2 . 2 18 18 SER N N 15 116.1330 0.0000 . 1 . . . . . 14 SER N . 51177 2 25 . 2 . 2 19 19 LYS H H 1 8.5120 0.0000 . 1 . . . . . 15 LYS H . 51177 2 26 . 2 . 2 19 19 LYS N N 15 123.9980 0.0000 . 1 . . . . . 15 LYS N . 51177 2 27 . 2 . 2 20 20 LYS H H 1 8.3220 0.0000 . 1 . . . . . 16 LYS H . 51177 2 28 . 2 . 2 20 20 LYS N N 15 122.8730 0.0000 . 1 . . . . . 16 LYS N . 51177 2 29 . 2 . 2 21 21 ALA H H 1 8.2930 0.0000 . 1 . . . . . 17 ALA H . 51177 2 30 . 2 . 2 21 21 ALA N N 15 125.7120 0.0000 . 1 . . . . . 17 ALA N . 51177 2 31 . 2 . 2 22 22 VAL H H 1 8.1540 0.0000 . 1 . . . . . 18 VAL H . 51177 2 32 . 2 . 2 22 22 VAL N N 15 120.1150 0.0000 . 1 . . . . . 18 VAL N . 51177 2 33 . 2 . 2 23 23 THR H H 1 8.2030 0.0000 . 1 . . . . . 19 THR H . 51177 2 34 . 2 . 2 23 23 THR N N 15 118.5190 0.0000 . 1 . . . . . 19 THR N . 51177 2 35 . 2 . 2 24 24 LYS H H 1 8.3920 0.0000 . 1 . . . . . 20 LYS H . 51177 2 36 . 2 . 2 24 24 LYS N N 15 124.6600 0.0000 . 1 . . . . . 20 LYS N . 51177 2 37 . 2 . 2 25 25 ALA H H 1 8.2780 0.0000 . 1 . . . . . 21 ALA H . 51177 2 38 . 2 . 2 25 25 ALA N N 15 124.9270 0.0000 . 1 . . . . . 21 ALA N . 51177 2 39 . 2 . 2 26 26 GLN H H 1 8.2720 0.0000 . 1 . . . . . 22 GLN H . 51177 2 40 . 2 . 2 26 26 GLN N N 15 119.9540 0.0000 . 1 . . . . . 22 GLN N . 51177 2 41 . 2 . 2 27 27 LYS H H 1 8.3410 0.0000 . 1 . . . . . 23 LYS H . 51177 2 42 . 2 . 2 27 27 LYS N N 15 123.2990 0.0000 . 1 . . . . . 23 LYS N . 51177 2 43 . 2 . 2 28 28 LYS H H 1 8.4590 0.0000 . 1 . . . . . 24 LYS H . 51177 2 44 . 2 . 2 28 28 LYS N N 15 123.2480 0.0000 . 1 . . . . . 24 LYS N . 51177 2 45 . 2 . 2 29 29 ASP H H 1 8.2980 0.0000 . 1 . . . . . 25 ASP H . 51177 2 46 . 2 . 2 29 29 ASP N N 15 121.3110 0.0000 . 1 . . . . . 25 ASP N . 51177 2 47 . 2 . 2 30 30 GLY H H 1 8.2390 0.0000 . 1 . . . . . 26 GLY H . 51177 2 48 . 2 . 2 30 30 GLY N N 15 109.3610 0.0000 . 1 . . . . . 26 GLY N . 51177 2 49 . 2 . 2 31 31 LYS H H 1 8.1370 0.0000 . 1 . . . . . 27 LYS H . 51177 2 50 . 2 . 2 31 31 LYS N N 15 121.5050 0.0000 . 1 . . . . . 27 LYS N . 51177 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 3 _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' . . . 51177 3 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 . . 51177 3 2 $software_2 . . 51177 3 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 7 7 ARG H H 1 8.2050 0.0000 . 1 . . . . . 3 ARG H . 51177 3 2 . 1 . 1 7 7 ARG N N 15 120.7630 0.0000 . 1 . . . . . 3 ARG N . 51177 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 4 _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' . . . 51177 4 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 . . 51177 4 2 $software_2 . . 51177 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.6280 0.0000 . 1 . . . . . -1 GLY H . 51177 4 2 . 1 . 1 3 3 GLY N N 15 110.1480 0.0000 . 1 . . . . . -1 GLY N . 51177 4 3 . 1 . 1 4 4 MET H H 1 8.2980 0.0000 . 1 . . . . . 0 MET H . 51177 4 4 . 1 . 1 4 4 MET N N 15 120.4360 0.0000 . 1 . . . . . 0 MET N . 51177 4 5 . 1 . 1 5 5 SER H H 1 8.4000 0.0000 . 1 . . . . . 1 SER H . 51177 4 6 . 1 . 1 5 5 SER N N 15 117.3620 0.0000 . 1 . . . . . 1 SER N . 51177 4 7 . 1 . 1 6 6 GLY H H 1 8.4670 0.0000 . 1 . . . . . 2 GLY H . 51177 4 8 . 1 . 1 6 6 GLY N N 15 111.2220 0.0000 . 1 . . . . . 2 GLY N . 51177 4 9 . 1 . 1 7 7 ARG H H 1 8.1810 0.0000 . 1 . . . . . 3 ARG H . 51177 4 10 . 1 . 1 7 7 ARG N N 15 120.7030 0.0000 . 1 . . . . . 3 ARG N . 51177 4 11 . 1 . 1 8 8 GLY H H 1 8.4960 0.0000 . 1 . . . . . 4 GLY H . 51177 4 12 . 1 . 1 8 8 GLY N N 15 110.1940 0.0000 . 1 . . . . . 4 GLY N . 51177 4 13 . 1 . 1 9 9 LYS H H 1 8.2670 0.0000 . 1 . . . . . 5 LYS H . 51177 4 14 . 1 . 1 9 9 LYS N N 15 121.4000 0.0000 . 1 . . . . . 5 LYS N . 51177 4 15 . 1 . 1 10 10 GLN H H 1 8.5520 0.0000 . 1 . . . . . 6 GLN H . 51177 4 16 . 1 . 1 10 10 GLN N N 15 121.8510 0.0000 . 1 . . . . . 6 GLN N . 51177 4 17 . 1 . 1 11 11 GLY H H 1 8.4250 0.0000 . 1 . . . . . 7 GLY H . 51177 4 18 . 1 . 1 11 11 GLY N N 15 110.4500 0.0000 . 1 . . . . . 7 GLY N . 51177 4 19 . 1 . 1 12 12 GLY H H 1 8.3010 0.0000 . 1 . . . . . 8 GLY H . 51177 4 20 . 1 . 1 12 12 GLY N N 15 109.3050 0.0000 . 1 . . . . . 8 GLY N . 51177 4 21 . 1 . 1 124 124 THR H H 1 8.2220 0.0000 . 1 . . . . . 120 THR H . 51177 4 22 . 1 . 1 124 124 THR N N 15 116.2550 0.0000 . 1 . . . . . 120 THR N . 51177 4 23 . 1 . 1 125 125 GLU H H 1 8.5030 0.0000 . 1 . . . . . 121 GLU H . 51177 4 24 . 1 . 1 125 125 GLU N N 15 123.7350 0.0000 . 1 . . . . . 121 GLU N . 51177 4 25 . 1 . 1 126 126 SER H H 1 8.3550 0.0000 . 1 . . . . . 122 SER H . 51177 4 26 . 1 . 1 126 126 SER N N 15 117.5240 0.0000 . 1 . . . . . 122 SER N . 51177 4 27 . 1 . 1 127 127 HIS H H 1 8.5800 0.0000 . 1 . . . . . 123 HIS H . 51177 4 28 . 1 . 1 127 127 HIS N N 15 120.9190 0.0000 . 1 . . . . . 123 HIS N . 51177 4 29 . 1 . 1 128 128 HIS H H 1 8.4600 0.0000 . 1 . . . . . 124 HIS H . 51177 4 30 . 1 . 1 128 128 HIS N N 15 119.9330 0.0000 . 1 . . . . . 124 HIS N . 51177 4 31 . 1 . 1 129 129 LYS H H 1 8.4140 0.0000 . 1 . . . . . 125 LYS H . 51177 4 32 . 1 . 1 129 129 LYS N N 15 123.7780 0.0000 . 1 . . . . . 125 LYS N . 51177 4 33 . 1 . 1 130 130 ALA H H 1 8.3840 0.0000 . 1 . . . . . 126 ALA H . 51177 4 34 . 1 . 1 130 130 ALA N N 15 126.2810 0.0000 . 1 . . . . . 126 ALA N . 51177 4 35 . 1 . 1 131 131 LYS H H 1 8.3850 0.0000 . 1 . . . . . 127 LYS H . 51177 4 36 . 1 . 1 131 131 LYS N N 15 121.5760 0.0000 . 1 . . . . . 127 LYS N . 51177 4 37 . 1 . 1 132 132 GLY H H 1 8.4190 0.0000 . 1 . . . . . 128 GLY H . 51177 4 38 . 1 . 1 132 132 GLY N N 15 111.1480 0.0000 . 1 . . . . . 128 GLY N . 51177 4 39 . 1 . 1 133 133 LYS H H 1 7.7930 0.0000 . 1 . . . . . 129 LYS H . 51177 4 40 . 1 . 1 133 133 LYS N N 15 126.2240 0.0000 . 1 . . . . . 129 LYS N . 51177 4 stop_ save_