data_50807 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50807 _Entry.Title ; Histone H3 tail within hexasome ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-07 _Entry.Accession_date 2021-03-07 _Entry.Last_release_date 2021-03-07 _Entry.Original_release_date 2021-03-07 _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 ; The data in this entry are for hexasome with 15N/13C-labeled H3. Please see the supplementary table in the cited reference for more details regarding assignment ambiguities. ; _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 Emma Morrison . A. . 0000-0001-6722-7961 50807 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50807 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 113 50807 '15N chemical shifts' 59 50807 '1H chemical shifts' 59 50807 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 . . 2021-05-27 . original BMRB . 50807 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50805 'Histone H3 tail within tetrasome' 50807 BMRB 50806 'Histone H3 tail within nucleosome' 50807 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50807 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33856458 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nucleosome composition regulates the histone H3 tail conformational ensemble and accessibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 4750 _Citation.Page_last 4767 _Citation.Year 2021 _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 Emma Morrison . A. . . 50807 1 2 Lokesh Baweja . . . . 50807 1 3 Michael Poirier . G. . . 50807 1 4 Jeff Wereszczynski . . . . 50807 1 5 Catherine Musselman . A. . . 50807 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50807 _Assembly.ID 1 _Assembly.Name hexasome _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 'histone hexamer in complex with 147bp Widom 601 DNA' _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 'H3, 1' 1 $entity_1 . . yes native no no . . . 50807 1 2 'H3, 2' 1 $entity_1 . . yes native no no . . . 50807 1 3 'H4, 1' 2 $entity_2 . . no native no no . . . 50807 1 4 'H4, 2' 2 $entity_2 . . no native no no . . . 50807 1 5 DNA_1 3 $entity_3 . . no native no no . . . 50807 1 6 DNA_2 4 $entity_4 . . no native no no . . . 50807 1 7 'H2A, 1' 5 $entity_5 . . no native no no . . . 50807 1 8 'H2B, 2' 6 $entity_6 . . no native no no . . . 50807 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50807 _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 ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTEL LIRKLPFQRLVREIAQDFKT DLRFQSSAVMALQEASEAYL VGLFEDTNLAAIHAKRVTIM 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 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 . ALA . 50807 1 2 . ARG . 50807 1 3 . THR . 50807 1 4 . LYS . 50807 1 5 . GLN . 50807 1 6 . THR . 50807 1 7 . ALA . 50807 1 8 . ARG . 50807 1 9 . LYS . 50807 1 10 . SER . 50807 1 11 . THR . 50807 1 12 . GLY . 50807 1 13 . GLY . 50807 1 14 . LYS . 50807 1 15 . ALA . 50807 1 16 . PRO . 50807 1 17 . ARG . 50807 1 18 . LYS . 50807 1 19 . GLN . 50807 1 20 . LEU . 50807 1 21 . ALA . 50807 1 22 . THR . 50807 1 23 . LYS . 50807 1 24 . ALA . 50807 1 25 . ALA . 50807 1 26 . ARG . 50807 1 27 . LYS . 50807 1 28 . SER . 50807 1 29 . ALA . 50807 1 30 . PRO . 50807 1 31 . ALA . 50807 1 32 . THR . 50807 1 33 . GLY . 50807 1 34 . GLY . 50807 1 35 . VAL . 50807 1 36 . LYS . 50807 1 37 . LYS . 50807 1 38 . PRO . 50807 1 39 . HIS . 50807 1 40 . ARG . 50807 1 41 . TYR . 50807 1 42 . ARG . 50807 1 43 . PRO . 50807 1 44 . GLY . 50807 1 45 . THR . 50807 1 46 . VAL . 50807 1 47 . ALA . 50807 1 48 . LEU . 50807 1 49 . ARG . 50807 1 50 . GLU . 50807 1 51 . ILE . 50807 1 52 . ARG . 50807 1 53 . ARG . 50807 1 54 . TYR . 50807 1 55 . GLN . 50807 1 56 . LYS . 50807 1 57 . SER . 50807 1 58 . THR . 50807 1 59 . GLU . 50807 1 60 . LEU . 50807 1 61 . LEU . 50807 1 62 . ILE . 50807 1 63 . ARG . 50807 1 64 . LYS . 50807 1 65 . LEU . 50807 1 66 . PRO . 50807 1 67 . PHE . 50807 1 68 . GLN . 50807 1 69 . ARG . 50807 1 70 . LEU . 50807 1 71 . VAL . 50807 1 72 . ARG . 50807 1 73 . GLU . 50807 1 74 . ILE . 50807 1 75 . ALA . 50807 1 76 . GLN . 50807 1 77 . ASP . 50807 1 78 . PHE . 50807 1 79 . LYS . 50807 1 80 . THR . 50807 1 81 . ASP . 50807 1 82 . LEU . 50807 1 83 . ARG . 50807 1 84 . PHE . 50807 1 85 . GLN . 50807 1 86 . SER . 50807 1 87 . SER . 50807 1 88 . ALA . 50807 1 89 . VAL . 50807 1 90 . MET . 50807 1 91 . ALA . 50807 1 92 . LEU . 50807 1 93 . GLN . 50807 1 94 . GLU . 50807 1 95 . ALA . 50807 1 96 . SER . 50807 1 97 . GLU . 50807 1 98 . ALA . 50807 1 99 . TYR . 50807 1 100 . LEU . 50807 1 101 . VAL . 50807 1 102 . GLY . 50807 1 103 . LEU . 50807 1 104 . PHE . 50807 1 105 . GLU . 50807 1 106 . ASP . 50807 1 107 . THR . 50807 1 108 . ASN . 50807 1 109 . LEU . 50807 1 110 . ALA . 50807 1 111 . ALA . 50807 1 112 . ILE . 50807 1 113 . HIS . 50807 1 114 . ALA . 50807 1 115 . LYS . 50807 1 116 . ARG . 50807 1 117 . VAL . 50807 1 118 . THR . 50807 1 119 . ILE . 50807 1 120 . MET . 50807 1 121 . PRO . 50807 1 122 . LYS . 50807 1 123 . ASP . 50807 1 124 . ILE . 50807 1 125 . GLN . 50807 1 126 . LEU . 50807 1 127 . ALA . 50807 1 128 . ARG . 50807 1 129 . ARG . 50807 1 130 . ILE . 50807 1 131 . ARG . 50807 1 132 . GLY . 50807 1 133 . GLU . 50807 1 134 . ARG . 50807 1 135 . ALA . 50807 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 . ALA 1 1 50807 1 . ARG 2 2 50807 1 . THR 3 3 50807 1 . LYS 4 4 50807 1 . GLN 5 5 50807 1 . THR 6 6 50807 1 . ALA 7 7 50807 1 . ARG 8 8 50807 1 . LYS 9 9 50807 1 . SER 10 10 50807 1 . THR 11 11 50807 1 . GLY 12 12 50807 1 . GLY 13 13 50807 1 . LYS 14 14 50807 1 . ALA 15 15 50807 1 . PRO 16 16 50807 1 . ARG 17 17 50807 1 . LYS 18 18 50807 1 . GLN 19 19 50807 1 . LEU 20 20 50807 1 . ALA 21 21 50807 1 . THR 22 22 50807 1 . LYS 23 23 50807 1 . ALA 24 24 50807 1 . ALA 25 25 50807 1 . ARG 26 26 50807 1 . LYS 27 27 50807 1 . SER 28 28 50807 1 . ALA 29 29 50807 1 . PRO 30 30 50807 1 . ALA 31 31 50807 1 . THR 32 32 50807 1 . GLY 33 33 50807 1 . GLY 34 34 50807 1 . VAL 35 35 50807 1 . LYS 36 36 50807 1 . LYS 37 37 50807 1 . PRO 38 38 50807 1 . HIS 39 39 50807 1 . ARG 40 40 50807 1 . TYR 41 41 50807 1 . ARG 42 42 50807 1 . PRO 43 43 50807 1 . GLY 44 44 50807 1 . THR 45 45 50807 1 . VAL 46 46 50807 1 . ALA 47 47 50807 1 . LEU 48 48 50807 1 . ARG 49 49 50807 1 . GLU 50 50 50807 1 . ILE 51 51 50807 1 . ARG 52 52 50807 1 . ARG 53 53 50807 1 . TYR 54 54 50807 1 . GLN 55 55 50807 1 . LYS 56 56 50807 1 . SER 57 57 50807 1 . THR 58 58 50807 1 . GLU 59 59 50807 1 . LEU 60 60 50807 1 . LEU 61 61 50807 1 . ILE 62 62 50807 1 . ARG 63 63 50807 1 . LYS 64 64 50807 1 . LEU 65 65 50807 1 . PRO 66 66 50807 1 . PHE 67 67 50807 1 . GLN 68 68 50807 1 . ARG 69 69 50807 1 . LEU 70 70 50807 1 . VAL 71 71 50807 1 . ARG 72 72 50807 1 . GLU 73 73 50807 1 . ILE 74 74 50807 1 . ALA 75 75 50807 1 . GLN 76 76 50807 1 . ASP 77 77 50807 1 . PHE 78 78 50807 1 . LYS 79 79 50807 1 . THR 80 80 50807 1 . ASP 81 81 50807 1 . LEU 82 82 50807 1 . ARG 83 83 50807 1 . PHE 84 84 50807 1 . GLN 85 85 50807 1 . SER 86 86 50807 1 . SER 87 87 50807 1 . ALA 88 88 50807 1 . VAL 89 89 50807 1 . MET 90 90 50807 1 . ALA 91 91 50807 1 . LEU 92 92 50807 1 . GLN 93 93 50807 1 . GLU 94 94 50807 1 . ALA 95 95 50807 1 . SER 96 96 50807 1 . GLU 97 97 50807 1 . ALA 98 98 50807 1 . TYR 99 99 50807 1 . LEU 100 100 50807 1 . VAL 101 101 50807 1 . GLY 102 102 50807 1 . LEU 103 103 50807 1 . PHE 104 104 50807 1 . GLU 105 105 50807 1 . ASP 106 106 50807 1 . THR 107 107 50807 1 . ASN 108 108 50807 1 . LEU 109 109 50807 1 . ALA 110 110 50807 1 . ALA 111 111 50807 1 . ILE 112 112 50807 1 . HIS 113 113 50807 1 . ALA 114 114 50807 1 . LYS 115 115 50807 1 . ARG 116 116 50807 1 . VAL 117 117 50807 1 . THR 118 118 50807 1 . ILE 119 119 50807 1 . MET 120 120 50807 1 . PRO 121 121 50807 1 . LYS 122 122 50807 1 . ASP 123 123 50807 1 . ILE 124 124 50807 1 . GLN 125 125 50807 1 . LEU 126 126 50807 1 . ALA 127 127 50807 1 . ARG 128 128 50807 1 . ARG 129 129 50807 1 . ILE 130 130 50807 1 . ARG 131 131 50807 1 . GLY 132 132 50807 1 . GLU 133 133 50807 1 . ARG 134 134 50807 1 . ALA 135 135 50807 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50807 _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 ; 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 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 . SER . 50807 2 2 . GLY . 50807 2 3 . ARG . 50807 2 4 . GLY . 50807 2 5 . LYS . 50807 2 6 . GLY . 50807 2 7 . GLY . 50807 2 8 . LYS . 50807 2 9 . GLY . 50807 2 10 . LEU . 50807 2 11 . GLY . 50807 2 12 . LYS . 50807 2 13 . GLY . 50807 2 14 . GLY . 50807 2 15 . ALA . 50807 2 16 . LYS . 50807 2 17 . ARG . 50807 2 18 . HIS . 50807 2 19 . ARG . 50807 2 20 . LYS . 50807 2 21 . VAL . 50807 2 22 . LEU . 50807 2 23 . ARG . 50807 2 24 . ASP . 50807 2 25 . ASN . 50807 2 26 . ILE . 50807 2 27 . GLN . 50807 2 28 . GLY . 50807 2 29 . ILE . 50807 2 30 . THR . 50807 2 31 . LYS . 50807 2 32 . PRO . 50807 2 33 . ALA . 50807 2 34 . ILE . 50807 2 35 . ARG . 50807 2 36 . ARG . 50807 2 37 . LEU . 50807 2 38 . ALA . 50807 2 39 . ARG . 50807 2 40 . ARG . 50807 2 41 . GLY . 50807 2 42 . GLY . 50807 2 43 . VAL . 50807 2 44 . LYS . 50807 2 45 . ARG . 50807 2 46 . ILE . 50807 2 47 . SER . 50807 2 48 . GLY . 50807 2 49 . LEU . 50807 2 50 . ILE . 50807 2 51 . TYR . 50807 2 52 . GLU . 50807 2 53 . GLU . 50807 2 54 . THR . 50807 2 55 . ARG . 50807 2 56 . GLY . 50807 2 57 . VAL . 50807 2 58 . LEU . 50807 2 59 . LYS . 50807 2 60 . VAL . 50807 2 61 . PHE . 50807 2 62 . LEU . 50807 2 63 . GLU . 50807 2 64 . ASN . 50807 2 65 . VAL . 50807 2 66 . ILE . 50807 2 67 . ARG . 50807 2 68 . ASP . 50807 2 69 . ALA . 50807 2 70 . VAL . 50807 2 71 . THR . 50807 2 72 . TYR . 50807 2 73 . THR . 50807 2 74 . GLU . 50807 2 75 . HIS . 50807 2 76 . ALA . 50807 2 77 . LYS . 50807 2 78 . ARG . 50807 2 79 . LYS . 50807 2 80 . THR . 50807 2 81 . VAL . 50807 2 82 . THR . 50807 2 83 . ALA . 50807 2 84 . MET . 50807 2 85 . ASP . 50807 2 86 . VAL . 50807 2 87 . VAL . 50807 2 88 . TYR . 50807 2 89 . ALA . 50807 2 90 . LEU . 50807 2 91 . LYS . 50807 2 92 . ARG . 50807 2 93 . GLN . 50807 2 94 . GLY . 50807 2 95 . ARG . 50807 2 96 . THR . 50807 2 97 . LEU . 50807 2 98 . TYR . 50807 2 99 . GLY . 50807 2 100 . PHE . 50807 2 101 . GLY . 50807 2 102 . GLY . 50807 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 50807 2 . GLY 2 2 50807 2 . ARG 3 3 50807 2 . GLY 4 4 50807 2 . LYS 5 5 50807 2 . GLY 6 6 50807 2 . GLY 7 7 50807 2 . LYS 8 8 50807 2 . GLY 9 9 50807 2 . LEU 10 10 50807 2 . GLY 11 11 50807 2 . LYS 12 12 50807 2 . GLY 13 13 50807 2 . GLY 14 14 50807 2 . ALA 15 15 50807 2 . LYS 16 16 50807 2 . ARG 17 17 50807 2 . HIS 18 18 50807 2 . ARG 19 19 50807 2 . LYS 20 20 50807 2 . VAL 21 21 50807 2 . LEU 22 22 50807 2 . ARG 23 23 50807 2 . ASP 24 24 50807 2 . ASN 25 25 50807 2 . ILE 26 26 50807 2 . GLN 27 27 50807 2 . GLY 28 28 50807 2 . ILE 29 29 50807 2 . THR 30 30 50807 2 . LYS 31 31 50807 2 . PRO 32 32 50807 2 . ALA 33 33 50807 2 . ILE 34 34 50807 2 . ARG 35 35 50807 2 . ARG 36 36 50807 2 . LEU 37 37 50807 2 . ALA 38 38 50807 2 . ARG 39 39 50807 2 . ARG 40 40 50807 2 . GLY 41 41 50807 2 . GLY 42 42 50807 2 . VAL 43 43 50807 2 . LYS 44 44 50807 2 . ARG 45 45 50807 2 . ILE 46 46 50807 2 . SER 47 47 50807 2 . GLY 48 48 50807 2 . LEU 49 49 50807 2 . ILE 50 50 50807 2 . TYR 51 51 50807 2 . GLU 52 52 50807 2 . GLU 53 53 50807 2 . THR 54 54 50807 2 . ARG 55 55 50807 2 . GLY 56 56 50807 2 . VAL 57 57 50807 2 . LEU 58 58 50807 2 . LYS 59 59 50807 2 . VAL 60 60 50807 2 . PHE 61 61 50807 2 . LEU 62 62 50807 2 . GLU 63 63 50807 2 . ASN 64 64 50807 2 . VAL 65 65 50807 2 . ILE 66 66 50807 2 . ARG 67 67 50807 2 . ASP 68 68 50807 2 . ALA 69 69 50807 2 . VAL 70 70 50807 2 . THR 71 71 50807 2 . TYR 72 72 50807 2 . THR 73 73 50807 2 . GLU 74 74 50807 2 . HIS 75 75 50807 2 . ALA 76 76 50807 2 . LYS 77 77 50807 2 . ARG 78 78 50807 2 . LYS 79 79 50807 2 . THR 80 80 50807 2 . VAL 81 81 50807 2 . THR 82 82 50807 2 . ALA 83 83 50807 2 . MET 84 84 50807 2 . ASP 85 85 50807 2 . VAL 86 86 50807 2 . VAL 87 87 50807 2 . TYR 88 88 50807 2 . ALA 89 89 50807 2 . LEU 90 90 50807 2 . LYS 91 91 50807 2 . ARG 92 92 50807 2 . GLN 93 93 50807 2 . GLY 94 94 50807 2 . ARG 95 95 50807 2 . THR 96 96 50807 2 . LEU 97 97 50807 2 . TYR 98 98 50807 2 . GLY 99 99 50807 2 . PHE 100 100 50807 2 . GLY 101 101 50807 2 . GLY 102 102 50807 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 50807 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; ATCGAGAATCCCGGTGCCGA GGCCGCTCAATTGGTCGTAG ACAGCTCTAGCACCGCTTAA ACGCACGTACGCGCTGTCCC CCGCGTTTTAACCGCCAAGG GGATTACTCCCTAGTCTCCA GGCACGTGTCAGATATATAC ATCCGAT ; _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 147 _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 . DA . 50807 3 2 . DT . 50807 3 3 . DC . 50807 3 4 . DG . 50807 3 5 . DA . 50807 3 6 . DG . 50807 3 7 . DA . 50807 3 8 . DA . 50807 3 9 . DT . 50807 3 10 . DC . 50807 3 11 . DC . 50807 3 12 . DC . 50807 3 13 . DG . 50807 3 14 . DG . 50807 3 15 . DT . 50807 3 16 . DG . 50807 3 17 . DC . 50807 3 18 . DC . 50807 3 19 . DG . 50807 3 20 . DA . 50807 3 21 . DG . 50807 3 22 . DG . 50807 3 23 . DC . 50807 3 24 . DC . 50807 3 25 . DG . 50807 3 26 . DC . 50807 3 27 . DT . 50807 3 28 . DC . 50807 3 29 . DA . 50807 3 30 . DA . 50807 3 31 . DT . 50807 3 32 . DT . 50807 3 33 . DG . 50807 3 34 . DG . 50807 3 35 . DT . 50807 3 36 . DC . 50807 3 37 . DG . 50807 3 38 . DT . 50807 3 39 . DA . 50807 3 40 . DG . 50807 3 41 . DA . 50807 3 42 . DC . 50807 3 43 . DA . 50807 3 44 . DG . 50807 3 45 . DC . 50807 3 46 . DT . 50807 3 47 . DC . 50807 3 48 . DT . 50807 3 49 . DA . 50807 3 50 . DG . 50807 3 51 . DC . 50807 3 52 . DA . 50807 3 53 . DC . 50807 3 54 . DC . 50807 3 55 . DG . 50807 3 56 . DC . 50807 3 57 . DT . 50807 3 58 . DT . 50807 3 59 . DA . 50807 3 60 . DA . 50807 3 61 . DA . 50807 3 62 . DC . 50807 3 63 . DG . 50807 3 64 . DC . 50807 3 65 . DA . 50807 3 66 . DC . 50807 3 67 . DG . 50807 3 68 . DT . 50807 3 69 . DA . 50807 3 70 . DC . 50807 3 71 . DG . 50807 3 72 . DC . 50807 3 73 . DG . 50807 3 74 . DC . 50807 3 75 . DT . 50807 3 76 . DG . 50807 3 77 . DT . 50807 3 78 . DC . 50807 3 79 . DC . 50807 3 80 . DC . 50807 3 81 . DC . 50807 3 82 . DC . 50807 3 83 . DG . 50807 3 84 . DC . 50807 3 85 . DG . 50807 3 86 . DT . 50807 3 87 . DT . 50807 3 88 . DT . 50807 3 89 . DT . 50807 3 90 . DA . 50807 3 91 . DA . 50807 3 92 . DC . 50807 3 93 . DC . 50807 3 94 . DG . 50807 3 95 . DC . 50807 3 96 . DC . 50807 3 97 . DA . 50807 3 98 . DA . 50807 3 99 . DG . 50807 3 100 . DG . 50807 3 101 . DG . 50807 3 102 . DG . 50807 3 103 . DA . 50807 3 104 . DT . 50807 3 105 . DT . 50807 3 106 . DA . 50807 3 107 . DC . 50807 3 108 . DT . 50807 3 109 . DC . 50807 3 110 . DC . 50807 3 111 . DC . 50807 3 112 . DT . 50807 3 113 . DA . 50807 3 114 . DG . 50807 3 115 . DT . 50807 3 116 . DC . 50807 3 117 . DT . 50807 3 118 . DC . 50807 3 119 . DC . 50807 3 120 . DA . 50807 3 121 . DG . 50807 3 122 . DG . 50807 3 123 . DC . 50807 3 124 . DA . 50807 3 125 . DC . 50807 3 126 . DG . 50807 3 127 . DT . 50807 3 128 . DG . 50807 3 129 . DT . 50807 3 130 . DC . 50807 3 131 . DA . 50807 3 132 . DG . 50807 3 133 . DA . 50807 3 134 . DT . 50807 3 135 . DA . 50807 3 136 . DT . 50807 3 137 . DA . 50807 3 138 . DT . 50807 3 139 . DA . 50807 3 140 . DC . 50807 3 141 . DA . 50807 3 142 . DT . 50807 3 143 . DC . 50807 3 144 . DC . 50807 3 145 . DG . 50807 3 146 . DA . 50807 3 147 . DT . 50807 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 . DA 1 1 50807 3 . DT 2 2 50807 3 . DC 3 3 50807 3 . DG 4 4 50807 3 . DA 5 5 50807 3 . DG 6 6 50807 3 . DA 7 7 50807 3 . DA 8 8 50807 3 . DT 9 9 50807 3 . DC 10 10 50807 3 . DC 11 11 50807 3 . DC 12 12 50807 3 . DG 13 13 50807 3 . DG 14 14 50807 3 . DT 15 15 50807 3 . DG 16 16 50807 3 . DC 17 17 50807 3 . DC 18 18 50807 3 . DG 19 19 50807 3 . DA 20 20 50807 3 . DG 21 21 50807 3 . DG 22 22 50807 3 . DC 23 23 50807 3 . DC 24 24 50807 3 . DG 25 25 50807 3 . DC 26 26 50807 3 . DT 27 27 50807 3 . DC 28 28 50807 3 . DA 29 29 50807 3 . DA 30 30 50807 3 . DT 31 31 50807 3 . DT 32 32 50807 3 . DG 33 33 50807 3 . DG 34 34 50807 3 . DT 35 35 50807 3 . DC 36 36 50807 3 . DG 37 37 50807 3 . DT 38 38 50807 3 . DA 39 39 50807 3 . DG 40 40 50807 3 . DA 41 41 50807 3 . DC 42 42 50807 3 . DA 43 43 50807 3 . DG 44 44 50807 3 . DC 45 45 50807 3 . DT 46 46 50807 3 . DC 47 47 50807 3 . DT 48 48 50807 3 . DA 49 49 50807 3 . DG 50 50 50807 3 . DC 51 51 50807 3 . DA 52 52 50807 3 . DC 53 53 50807 3 . DC 54 54 50807 3 . DG 55 55 50807 3 . DC 56 56 50807 3 . DT 57 57 50807 3 . DT 58 58 50807 3 . DA 59 59 50807 3 . DA 60 60 50807 3 . DA 61 61 50807 3 . DC 62 62 50807 3 . DG 63 63 50807 3 . DC 64 64 50807 3 . DA 65 65 50807 3 . DC 66 66 50807 3 . DG 67 67 50807 3 . DT 68 68 50807 3 . DA 69 69 50807 3 . DC 70 70 50807 3 . DG 71 71 50807 3 . DC 72 72 50807 3 . DG 73 73 50807 3 . DC 74 74 50807 3 . DT 75 75 50807 3 . DG 76 76 50807 3 . DT 77 77 50807 3 . DC 78 78 50807 3 . DC 79 79 50807 3 . DC 80 80 50807 3 . DC 81 81 50807 3 . DC 82 82 50807 3 . DG 83 83 50807 3 . DC 84 84 50807 3 . DG 85 85 50807 3 . DT 86 86 50807 3 . DT 87 87 50807 3 . DT 88 88 50807 3 . DT 89 89 50807 3 . DA 90 90 50807 3 . DA 91 91 50807 3 . DC 92 92 50807 3 . DC 93 93 50807 3 . DG 94 94 50807 3 . DC 95 95 50807 3 . DC 96 96 50807 3 . DA 97 97 50807 3 . DA 98 98 50807 3 . DG 99 99 50807 3 . DG 100 100 50807 3 . DG 101 101 50807 3 . DG 102 102 50807 3 . DA 103 103 50807 3 . DT 104 104 50807 3 . DT 105 105 50807 3 . DA 106 106 50807 3 . DC 107 107 50807 3 . DT 108 108 50807 3 . DC 109 109 50807 3 . DC 110 110 50807 3 . DC 111 111 50807 3 . DT 112 112 50807 3 . DA 113 113 50807 3 . DG 114 114 50807 3 . DT 115 115 50807 3 . DC 116 116 50807 3 . DT 117 117 50807 3 . DC 118 118 50807 3 . DC 119 119 50807 3 . DA 120 120 50807 3 . DG 121 121 50807 3 . DG 122 122 50807 3 . DC 123 123 50807 3 . DA 124 124 50807 3 . DC 125 125 50807 3 . DG 126 126 50807 3 . DT 127 127 50807 3 . DG 128 128 50807 3 . DT 129 129 50807 3 . DC 130 130 50807 3 . DA 131 131 50807 3 . DG 132 132 50807 3 . DA 133 133 50807 3 . DT 134 134 50807 3 . DA 135 135 50807 3 . DT 136 136 50807 3 . DA 137 137 50807 3 . DT 138 138 50807 3 . DA 139 139 50807 3 . DC 140 140 50807 3 . DA 141 141 50807 3 . DT 142 142 50807 3 . DC 143 143 50807 3 . DC 144 144 50807 3 . DG 145 145 50807 3 . DA 146 146 50807 3 . DT 147 147 50807 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 50807 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; ATCGGATGTATATATCTGAC ACGTGCCTGGAGACTAGGGA GTAATCCCCTTGGCGGTTAA AACGCGGGGGACAGCGCGTA CGTGCGTTTAAGCGGTGCTA GAGCTGTCTACGACCAATTG AGCGGCCTCGGCACCGGGAT TCTCGAT ; _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 147 _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 . DA . 50807 4 2 . DT . 50807 4 3 . DC . 50807 4 4 . DG . 50807 4 5 . DG . 50807 4 6 . DA . 50807 4 7 . DT . 50807 4 8 . DG . 50807 4 9 . DT . 50807 4 10 . DA . 50807 4 11 . DT . 50807 4 12 . DA . 50807 4 13 . DT . 50807 4 14 . DA . 50807 4 15 . DT . 50807 4 16 . DC . 50807 4 17 . DT . 50807 4 18 . DG . 50807 4 19 . DA . 50807 4 20 . DC . 50807 4 21 . DA . 50807 4 22 . DC . 50807 4 23 . DG . 50807 4 24 . DT . 50807 4 25 . DG . 50807 4 26 . DC . 50807 4 27 . DC . 50807 4 28 . DT . 50807 4 29 . DG . 50807 4 30 . DG . 50807 4 31 . DA . 50807 4 32 . DG . 50807 4 33 . DA . 50807 4 34 . DC . 50807 4 35 . DT . 50807 4 36 . DA . 50807 4 37 . DG . 50807 4 38 . DG . 50807 4 39 . DG . 50807 4 40 . DA . 50807 4 41 . DG . 50807 4 42 . DT . 50807 4 43 . DA . 50807 4 44 . DA . 50807 4 45 . DT . 50807 4 46 . DC . 50807 4 47 . DC . 50807 4 48 . DC . 50807 4 49 . DC . 50807 4 50 . DT . 50807 4 51 . DT . 50807 4 52 . DG . 50807 4 53 . DG . 50807 4 54 . DC . 50807 4 55 . DG . 50807 4 56 . DG . 50807 4 57 . DT . 50807 4 58 . DT . 50807 4 59 . DA . 50807 4 60 . DA . 50807 4 61 . DA . 50807 4 62 . DA . 50807 4 63 . DC . 50807 4 64 . DG . 50807 4 65 . DC . 50807 4 66 . DG . 50807 4 67 . DG . 50807 4 68 . DG . 50807 4 69 . DG . 50807 4 70 . DG . 50807 4 71 . DA . 50807 4 72 . DC . 50807 4 73 . DA . 50807 4 74 . DG . 50807 4 75 . DC . 50807 4 76 . DG . 50807 4 77 . DC . 50807 4 78 . DG . 50807 4 79 . DT . 50807 4 80 . DA . 50807 4 81 . DC . 50807 4 82 . DG . 50807 4 83 . DT . 50807 4 84 . DG . 50807 4 85 . DC . 50807 4 86 . DG . 50807 4 87 . DT . 50807 4 88 . DT . 50807 4 89 . DT . 50807 4 90 . DA . 50807 4 91 . DA . 50807 4 92 . DG . 50807 4 93 . DC . 50807 4 94 . DG . 50807 4 95 . DG . 50807 4 96 . DT . 50807 4 97 . DG . 50807 4 98 . DC . 50807 4 99 . DT . 50807 4 100 . DA . 50807 4 101 . DG . 50807 4 102 . DA . 50807 4 103 . DG . 50807 4 104 . DC . 50807 4 105 . DT . 50807 4 106 . DG . 50807 4 107 . DT . 50807 4 108 . DC . 50807 4 109 . DT . 50807 4 110 . DA . 50807 4 111 . DC . 50807 4 112 . DG . 50807 4 113 . DA . 50807 4 114 . DC . 50807 4 115 . DC . 50807 4 116 . DA . 50807 4 117 . DA . 50807 4 118 . DT . 50807 4 119 . DT . 50807 4 120 . DG . 50807 4 121 . DA . 50807 4 122 . DG . 50807 4 123 . DC . 50807 4 124 . DG . 50807 4 125 . DG . 50807 4 126 . DC . 50807 4 127 . DC . 50807 4 128 . DT . 50807 4 129 . DC . 50807 4 130 . DG . 50807 4 131 . DG . 50807 4 132 . DC . 50807 4 133 . DA . 50807 4 134 . DC . 50807 4 135 . DC . 50807 4 136 . DG . 50807 4 137 . DG . 50807 4 138 . DG . 50807 4 139 . DA . 50807 4 140 . DT . 50807 4 141 . DT . 50807 4 142 . DC . 50807 4 143 . DT . 50807 4 144 . DC . 50807 4 145 . DG . 50807 4 146 . DA . 50807 4 147 . DT . 50807 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 . DA 1 1 50807 4 . DT 2 2 50807 4 . DC 3 3 50807 4 . DG 4 4 50807 4 . DG 5 5 50807 4 . DA 6 6 50807 4 . DT 7 7 50807 4 . DG 8 8 50807 4 . DT 9 9 50807 4 . DA 10 10 50807 4 . DT 11 11 50807 4 . DA 12 12 50807 4 . DT 13 13 50807 4 . DA 14 14 50807 4 . DT 15 15 50807 4 . DC 16 16 50807 4 . DT 17 17 50807 4 . DG 18 18 50807 4 . DA 19 19 50807 4 . DC 20 20 50807 4 . DA 21 21 50807 4 . DC 22 22 50807 4 . DG 23 23 50807 4 . DT 24 24 50807 4 . DG 25 25 50807 4 . DC 26 26 50807 4 . DC 27 27 50807 4 . DT 28 28 50807 4 . DG 29 29 50807 4 . DG 30 30 50807 4 . DA 31 31 50807 4 . DG 32 32 50807 4 . DA 33 33 50807 4 . DC 34 34 50807 4 . DT 35 35 50807 4 . DA 36 36 50807 4 . DG 37 37 50807 4 . DG 38 38 50807 4 . DG 39 39 50807 4 . DA 40 40 50807 4 . DG 41 41 50807 4 . DT 42 42 50807 4 . DA 43 43 50807 4 . DA 44 44 50807 4 . DT 45 45 50807 4 . DC 46 46 50807 4 . DC 47 47 50807 4 . DC 48 48 50807 4 . DC 49 49 50807 4 . DT 50 50 50807 4 . DT 51 51 50807 4 . DG 52 52 50807 4 . DG 53 53 50807 4 . DC 54 54 50807 4 . DG 55 55 50807 4 . DG 56 56 50807 4 . DT 57 57 50807 4 . DT 58 58 50807 4 . DA 59 59 50807 4 . DA 60 60 50807 4 . DA 61 61 50807 4 . DA 62 62 50807 4 . DC 63 63 50807 4 . DG 64 64 50807 4 . DC 65 65 50807 4 . DG 66 66 50807 4 . DG 67 67 50807 4 . DG 68 68 50807 4 . DG 69 69 50807 4 . DG 70 70 50807 4 . DA 71 71 50807 4 . DC 72 72 50807 4 . DA 73 73 50807 4 . DG 74 74 50807 4 . DC 75 75 50807 4 . DG 76 76 50807 4 . DC 77 77 50807 4 . DG 78 78 50807 4 . DT 79 79 50807 4 . DA 80 80 50807 4 . DC 81 81 50807 4 . DG 82 82 50807 4 . DT 83 83 50807 4 . DG 84 84 50807 4 . DC 85 85 50807 4 . DG 86 86 50807 4 . DT 87 87 50807 4 . DT 88 88 50807 4 . DT 89 89 50807 4 . DA 90 90 50807 4 . DA 91 91 50807 4 . DG 92 92 50807 4 . DC 93 93 50807 4 . DG 94 94 50807 4 . DG 95 95 50807 4 . DT 96 96 50807 4 . DG 97 97 50807 4 . DC 98 98 50807 4 . DT 99 99 50807 4 . DA 100 100 50807 4 . DG 101 101 50807 4 . DA 102 102 50807 4 . DG 103 103 50807 4 . DC 104 104 50807 4 . DT 105 105 50807 4 . DG 106 106 50807 4 . DT 107 107 50807 4 . DC 108 108 50807 4 . DT 109 109 50807 4 . DA 110 110 50807 4 . DC 111 111 50807 4 . DG 112 112 50807 4 . DA 113 113 50807 4 . DC 114 114 50807 4 . DC 115 115 50807 4 . DA 116 116 50807 4 . DA 117 117 50807 4 . DT 118 118 50807 4 . DT 119 119 50807 4 . DG 120 120 50807 4 . DA 121 121 50807 4 . DG 122 122 50807 4 . DC 123 123 50807 4 . DG 124 124 50807 4 . DG 125 125 50807 4 . DC 126 126 50807 4 . DC 127 127 50807 4 . DT 128 128 50807 4 . DC 129 129 50807 4 . DG 130 130 50807 4 . DG 131 131 50807 4 . DC 132 132 50807 4 . DA 133 133 50807 4 . DC 134 134 50807 4 . DC 135 135 50807 4 . DG 136 136 50807 4 . DG 137 137 50807 4 . DG 138 138 50807 4 . DA 139 139 50807 4 . DT 140 140 50807 4 . DT 141 141 50807 4 . DC 142 142 50807 4 . DT 143 143 50807 4 . DC 144 144 50807 4 . DG 145 145 50807 4 . DA 146 146 50807 4 . DT 147 147 50807 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 50807 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _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 ; SGRGKQGGKARAKAKTRSSR AGLQFPVGRVHRLLRKGNYA ERVGAGAPVYLAAVLEYLTA EILELAGNAARDNKKTRIIP RHLQLAIRNDEELNKLLGKV TIAQGGVLPNIQAVLLPKKT ESHHKAKGK ; _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 129 _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 . SER . 50807 5 2 . GLY . 50807 5 3 . ARG . 50807 5 4 . GLY . 50807 5 5 . LYS . 50807 5 6 . GLN . 50807 5 7 . GLY . 50807 5 8 . GLY . 50807 5 9 . LYS . 50807 5 10 . ALA . 50807 5 11 . ARG . 50807 5 12 . ALA . 50807 5 13 . LYS . 50807 5 14 . ALA . 50807 5 15 . LYS . 50807 5 16 . THR . 50807 5 17 . ARG . 50807 5 18 . SER . 50807 5 19 . SER . 50807 5 20 . ARG . 50807 5 21 . ALA . 50807 5 22 . GLY . 50807 5 23 . LEU . 50807 5 24 . GLN . 50807 5 25 . PHE . 50807 5 26 . PRO . 50807 5 27 . VAL . 50807 5 28 . GLY . 50807 5 29 . ARG . 50807 5 30 . VAL . 50807 5 31 . HIS . 50807 5 32 . ARG . 50807 5 33 . LEU . 50807 5 34 . LEU . 50807 5 35 . ARG . 50807 5 36 . LYS . 50807 5 37 . GLY . 50807 5 38 . ASN . 50807 5 39 . TYR . 50807 5 40 . ALA . 50807 5 41 . GLU . 50807 5 42 . ARG . 50807 5 43 . VAL . 50807 5 44 . GLY . 50807 5 45 . ALA . 50807 5 46 . GLY . 50807 5 47 . ALA . 50807 5 48 . PRO . 50807 5 49 . VAL . 50807 5 50 . TYR . 50807 5 51 . LEU . 50807 5 52 . ALA . 50807 5 53 . ALA . 50807 5 54 . VAL . 50807 5 55 . LEU . 50807 5 56 . GLU . 50807 5 57 . TYR . 50807 5 58 . LEU . 50807 5 59 . THR . 50807 5 60 . ALA . 50807 5 61 . GLU . 50807 5 62 . ILE . 50807 5 63 . LEU . 50807 5 64 . GLU . 50807 5 65 . LEU . 50807 5 66 . ALA . 50807 5 67 . GLY . 50807 5 68 . ASN . 50807 5 69 . ALA . 50807 5 70 . ALA . 50807 5 71 . ARG . 50807 5 72 . ASP . 50807 5 73 . ASN . 50807 5 74 . LYS . 50807 5 75 . LYS . 50807 5 76 . THR . 50807 5 77 . ARG . 50807 5 78 . ILE . 50807 5 79 . ILE . 50807 5 80 . PRO . 50807 5 81 . ARG . 50807 5 82 . HIS . 50807 5 83 . LEU . 50807 5 84 . GLN . 50807 5 85 . LEU . 50807 5 86 . ALA . 50807 5 87 . ILE . 50807 5 88 . ARG . 50807 5 89 . ASN . 50807 5 90 . ASP . 50807 5 91 . GLU . 50807 5 92 . GLU . 50807 5 93 . LEU . 50807 5 94 . ASN . 50807 5 95 . LYS . 50807 5 96 . LEU . 50807 5 97 . LEU . 50807 5 98 . GLY . 50807 5 99 . LYS . 50807 5 100 . VAL . 50807 5 101 . THR . 50807 5 102 . ILE . 50807 5 103 . ALA . 50807 5 104 . GLN . 50807 5 105 . GLY . 50807 5 106 . GLY . 50807 5 107 . VAL . 50807 5 108 . LEU . 50807 5 109 . PRO . 50807 5 110 . ASN . 50807 5 111 . ILE . 50807 5 112 . GLN . 50807 5 113 . ALA . 50807 5 114 . VAL . 50807 5 115 . LEU . 50807 5 116 . LEU . 50807 5 117 . PRO . 50807 5 118 . LYS . 50807 5 119 . LYS . 50807 5 120 . THR . 50807 5 121 . GLU . 50807 5 122 . SER . 50807 5 123 . HIS . 50807 5 124 . HIS . 50807 5 125 . LYS . 50807 5 126 . ALA . 50807 5 127 . LYS . 50807 5 128 . GLY . 50807 5 129 . LYS . 50807 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 . SER 1 1 50807 5 . GLY 2 2 50807 5 . ARG 3 3 50807 5 . GLY 4 4 50807 5 . LYS 5 5 50807 5 . GLN 6 6 50807 5 . GLY 7 7 50807 5 . GLY 8 8 50807 5 . LYS 9 9 50807 5 . ALA 10 10 50807 5 . ARG 11 11 50807 5 . ALA 12 12 50807 5 . LYS 13 13 50807 5 . ALA 14 14 50807 5 . LYS 15 15 50807 5 . THR 16 16 50807 5 . ARG 17 17 50807 5 . SER 18 18 50807 5 . SER 19 19 50807 5 . ARG 20 20 50807 5 . ALA 21 21 50807 5 . GLY 22 22 50807 5 . LEU 23 23 50807 5 . GLN 24 24 50807 5 . PHE 25 25 50807 5 . PRO 26 26 50807 5 . VAL 27 27 50807 5 . GLY 28 28 50807 5 . ARG 29 29 50807 5 . VAL 30 30 50807 5 . HIS 31 31 50807 5 . ARG 32 32 50807 5 . LEU 33 33 50807 5 . LEU 34 34 50807 5 . ARG 35 35 50807 5 . LYS 36 36 50807 5 . GLY 37 37 50807 5 . ASN 38 38 50807 5 . TYR 39 39 50807 5 . ALA 40 40 50807 5 . GLU 41 41 50807 5 . ARG 42 42 50807 5 . VAL 43 43 50807 5 . GLY 44 44 50807 5 . ALA 45 45 50807 5 . GLY 46 46 50807 5 . ALA 47 47 50807 5 . PRO 48 48 50807 5 . VAL 49 49 50807 5 . TYR 50 50 50807 5 . LEU 51 51 50807 5 . ALA 52 52 50807 5 . ALA 53 53 50807 5 . VAL 54 54 50807 5 . LEU 55 55 50807 5 . GLU 56 56 50807 5 . TYR 57 57 50807 5 . LEU 58 58 50807 5 . THR 59 59 50807 5 . ALA 60 60 50807 5 . GLU 61 61 50807 5 . ILE 62 62 50807 5 . LEU 63 63 50807 5 . GLU 64 64 50807 5 . LEU 65 65 50807 5 . ALA 66 66 50807 5 . GLY 67 67 50807 5 . ASN 68 68 50807 5 . ALA 69 69 50807 5 . ALA 70 70 50807 5 . ARG 71 71 50807 5 . ASP 72 72 50807 5 . ASN 73 73 50807 5 . LYS 74 74 50807 5 . LYS 75 75 50807 5 . THR 76 76 50807 5 . ARG 77 77 50807 5 . ILE 78 78 50807 5 . ILE 79 79 50807 5 . PRO 80 80 50807 5 . ARG 81 81 50807 5 . HIS 82 82 50807 5 . LEU 83 83 50807 5 . GLN 84 84 50807 5 . LEU 85 85 50807 5 . ALA 86 86 50807 5 . ILE 87 87 50807 5 . ARG 88 88 50807 5 . ASN 89 89 50807 5 . ASP 90 90 50807 5 . GLU 91 91 50807 5 . GLU 92 92 50807 5 . LEU 93 93 50807 5 . ASN 94 94 50807 5 . LYS 95 95 50807 5 . LEU 96 96 50807 5 . LEU 97 97 50807 5 . GLY 98 98 50807 5 . LYS 99 99 50807 5 . VAL 100 100 50807 5 . THR 101 101 50807 5 . ILE 102 102 50807 5 . ALA 103 103 50807 5 . GLN 104 104 50807 5 . GLY 105 105 50807 5 . GLY 106 106 50807 5 . VAL 107 107 50807 5 . LEU 108 108 50807 5 . PRO 109 109 50807 5 . ASN 110 110 50807 5 . ILE 111 111 50807 5 . GLN 112 112 50807 5 . ALA 113 113 50807 5 . VAL 114 114 50807 5 . LEU 115 115 50807 5 . LEU 116 116 50807 5 . PRO 117 117 50807 5 . LYS 118 118 50807 5 . LYS 119 119 50807 5 . THR 120 120 50807 5 . GLU 121 121 50807 5 . SER 122 122 50807 5 . HIS 123 123 50807 5 . HIS 124 124 50807 5 . LYS 125 125 50807 5 . ALA 126 126 50807 5 . LYS 127 127 50807 5 . GLY 128 128 50807 5 . LYS 129 129 50807 5 stop_ save_ save_entity_6 _Entity.Sf_category entity _Entity.Sf_framecode entity_6 _Entity.Entry_ID 50807 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name entity_6 _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 ; PEPAKSAPAPKKGSKKAVTK AQKKDGKKRKRSRKESYSVY VYKVLKQVHPDTGISSKAMG IMNSFVNDIFERIAGEASRL AHYNKRSTITSREIQTAVRL LLPGELAKHAVSEGTKAVTK YTSSK ; _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 125 _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 . PRO . 50807 6 2 . GLU . 50807 6 3 . PRO . 50807 6 4 . ALA . 50807 6 5 . LYS . 50807 6 6 . SER . 50807 6 7 . ALA . 50807 6 8 . PRO . 50807 6 9 . ALA . 50807 6 10 . PRO . 50807 6 11 . LYS . 50807 6 12 . LYS . 50807 6 13 . GLY . 50807 6 14 . SER . 50807 6 15 . LYS . 50807 6 16 . LYS . 50807 6 17 . ALA . 50807 6 18 . VAL . 50807 6 19 . THR . 50807 6 20 . LYS . 50807 6 21 . ALA . 50807 6 22 . GLN . 50807 6 23 . LYS . 50807 6 24 . LYS . 50807 6 25 . ASP . 50807 6 26 . GLY . 50807 6 27 . LYS . 50807 6 28 . LYS . 50807 6 29 . ARG . 50807 6 30 . LYS . 50807 6 31 . ARG . 50807 6 32 . SER . 50807 6 33 . ARG . 50807 6 34 . LYS . 50807 6 35 . GLU . 50807 6 36 . SER . 50807 6 37 . TYR . 50807 6 38 . SER . 50807 6 39 . VAL . 50807 6 40 . TYR . 50807 6 41 . VAL . 50807 6 42 . TYR . 50807 6 43 . LYS . 50807 6 44 . VAL . 50807 6 45 . LEU . 50807 6 46 . LYS . 50807 6 47 . GLN . 50807 6 48 . VAL . 50807 6 49 . HIS . 50807 6 50 . PRO . 50807 6 51 . ASP . 50807 6 52 . THR . 50807 6 53 . GLY . 50807 6 54 . ILE . 50807 6 55 . SER . 50807 6 56 . SER . 50807 6 57 . LYS . 50807 6 58 . ALA . 50807 6 59 . MET . 50807 6 60 . GLY . 50807 6 61 . ILE . 50807 6 62 . MET . 50807 6 63 . ASN . 50807 6 64 . SER . 50807 6 65 . PHE . 50807 6 66 . VAL . 50807 6 67 . ASN . 50807 6 68 . ASP . 50807 6 69 . ILE . 50807 6 70 . PHE . 50807 6 71 . GLU . 50807 6 72 . ARG . 50807 6 73 . ILE . 50807 6 74 . ALA . 50807 6 75 . GLY . 50807 6 76 . GLU . 50807 6 77 . ALA . 50807 6 78 . SER . 50807 6 79 . ARG . 50807 6 80 . LEU . 50807 6 81 . ALA . 50807 6 82 . HIS . 50807 6 83 . TYR . 50807 6 84 . ASN . 50807 6 85 . LYS . 50807 6 86 . ARG . 50807 6 87 . SER . 50807 6 88 . THR . 50807 6 89 . ILE . 50807 6 90 . THR . 50807 6 91 . SER . 50807 6 92 . ARG . 50807 6 93 . GLU . 50807 6 94 . ILE . 50807 6 95 . GLN . 50807 6 96 . THR . 50807 6 97 . ALA . 50807 6 98 . VAL . 50807 6 99 . ARG . 50807 6 100 . LEU . 50807 6 101 . LEU . 50807 6 102 . LEU . 50807 6 103 . PRO . 50807 6 104 . GLY . 50807 6 105 . GLU . 50807 6 106 . LEU . 50807 6 107 . ALA . 50807 6 108 . LYS . 50807 6 109 . HIS . 50807 6 110 . ALA . 50807 6 111 . VAL . 50807 6 112 . SER . 50807 6 113 . GLU . 50807 6 114 . GLY . 50807 6 115 . THR . 50807 6 116 . LYS . 50807 6 117 . ALA . 50807 6 118 . VAL . 50807 6 119 . THR . 50807 6 120 . LYS . 50807 6 121 . TYR . 50807 6 122 . THR . 50807 6 123 . SER . 50807 6 124 . SER . 50807 6 125 . LYS . 50807 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 . PRO 1 1 50807 6 . GLU 2 2 50807 6 . PRO 3 3 50807 6 . ALA 4 4 50807 6 . LYS 5 5 50807 6 . SER 6 6 50807 6 . ALA 7 7 50807 6 . PRO 8 8 50807 6 . ALA 9 9 50807 6 . PRO 10 10 50807 6 . LYS 11 11 50807 6 . LYS 12 12 50807 6 . GLY 13 13 50807 6 . SER 14 14 50807 6 . LYS 15 15 50807 6 . LYS 16 16 50807 6 . ALA 17 17 50807 6 . VAL 18 18 50807 6 . THR 19 19 50807 6 . LYS 20 20 50807 6 . ALA 21 21 50807 6 . GLN 22 22 50807 6 . LYS 23 23 50807 6 . LYS 24 24 50807 6 . ASP 25 25 50807 6 . GLY 26 26 50807 6 . LYS 27 27 50807 6 . LYS 28 28 50807 6 . ARG 29 29 50807 6 . LYS 30 30 50807 6 . ARG 31 31 50807 6 . SER 32 32 50807 6 . ARG 33 33 50807 6 . LYS 34 34 50807 6 . GLU 35 35 50807 6 . SER 36 36 50807 6 . TYR 37 37 50807 6 . SER 38 38 50807 6 . VAL 39 39 50807 6 . TYR 40 40 50807 6 . VAL 41 41 50807 6 . TYR 42 42 50807 6 . LYS 43 43 50807 6 . VAL 44 44 50807 6 . LEU 45 45 50807 6 . LYS 46 46 50807 6 . GLN 47 47 50807 6 . VAL 48 48 50807 6 . HIS 49 49 50807 6 . PRO 50 50 50807 6 . ASP 51 51 50807 6 . THR 52 52 50807 6 . GLY 53 53 50807 6 . ILE 54 54 50807 6 . SER 55 55 50807 6 . SER 56 56 50807 6 . LYS 57 57 50807 6 . ALA 58 58 50807 6 . MET 59 59 50807 6 . GLY 60 60 50807 6 . ILE 61 61 50807 6 . MET 62 62 50807 6 . ASN 63 63 50807 6 . SER 64 64 50807 6 . PHE 65 65 50807 6 . VAL 66 66 50807 6 . ASN 67 67 50807 6 . ASP 68 68 50807 6 . ILE 69 69 50807 6 . PHE 70 70 50807 6 . GLU 71 71 50807 6 . ARG 72 72 50807 6 . ILE 73 73 50807 6 . ALA 74 74 50807 6 . GLY 75 75 50807 6 . GLU 76 76 50807 6 . ALA 77 77 50807 6 . SER 78 78 50807 6 . ARG 79 79 50807 6 . LEU 80 80 50807 6 . ALA 81 81 50807 6 . HIS 82 82 50807 6 . TYR 83 83 50807 6 . ASN 84 84 50807 6 . LYS 85 85 50807 6 . ARG 86 86 50807 6 . SER 87 87 50807 6 . THR 88 88 50807 6 . ILE 89 89 50807 6 . THR 90 90 50807 6 . SER 91 91 50807 6 . ARG 92 92 50807 6 . GLU 93 93 50807 6 . ILE 94 94 50807 6 . GLN 95 95 50807 6 . THR 96 96 50807 6 . ALA 97 97 50807 6 . VAL 98 98 50807 6 . ARG 99 99 50807 6 . LEU 100 100 50807 6 . LEU 101 101 50807 6 . LEU 102 102 50807 6 . PRO 103 103 50807 6 . GLY 104 104 50807 6 . GLU 105 105 50807 6 . LEU 106 106 50807 6 . ALA 107 107 50807 6 . LYS 108 108 50807 6 . HIS 109 109 50807 6 . ALA 110 110 50807 6 . VAL 111 111 50807 6 . SER 112 112 50807 6 . GLU 113 113 50807 6 . GLY 114 114 50807 6 . THR 115 115 50807 6 . LYS 116 116 50807 6 . ALA 117 117 50807 6 . VAL 118 118 50807 6 . THR 119 119 50807 6 . LYS 120 120 50807 6 . TYR 121 121 50807 6 . THR 122 122 50807 6 . SER 123 123 50807 6 . SER 124 124 50807 6 . LYS 125 125 50807 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 50807 _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 . . . . . . . . . . . . . 50807 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50807 1 3 3 $entity_3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50807 1 4 4 $entity_4 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50807 1 5 5 $entity_5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50807 1 6 6 $entity_6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50807 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 50807 _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 . . pET3a . . . 50807 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET3a . . . 50807 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ201 . . . 50807 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ201 . . . 50807 1 5 5 $entity_5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET3a . . . 50807 1 6 6 $entity_6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET3a . . . 50807 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50807 _Sample.ID 1 _Sample.Name '13C/15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Only H3 is 13C/15N-labeled.' _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 hexasome '[U-13C; U-15N]' . . . . . . 360 . . uM . . . . 50807 1 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 50807 1 3 NaOH 'natural abundance' . . . . . . 7 . . mM . . . . 50807 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50807 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50807 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 50807 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard conditions' _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 pH 7 . pH 50807 1 temperature 318 . K 50807 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50807 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50807 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50807 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50807 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50807 _Software.ID 3 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50807 3 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 50807 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50807 _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 . . . . . . . . . . . . . . . . . 50807 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50807 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50807 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 50807 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'water reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.582 internal indirect 0.251449530 . . . . . 50807 1 H 1 water protons . . . . ppm 4.582 internal direct 1 . . . . . 50807 1 N 15 water protons . . . . ppm 4.582 internal indirect 0.101329118 . . . . . 50807 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 50807 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H3 hexasome' _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' . . . 50807 1 2 '3D HNCACB' . . . 50807 1 3 '3D CBCA(CO)NH' . . . 50807 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 . . 50807 1 2 $software_2 . . 50807 1 3 $software_3 . . 50807 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ARG CA C 13 56.62758 0 . 6 . . . . . 2 R CA . 50807 1 2 . 1 . 1 2 2 ARG CB C 13 30.96073 0 . 6 . . . . . 2 R CB . 50807 1 3 . 1 . 1 3 3 THR H H 1 8.24785 0.00174 . 6 . . . . . 3 T HN . 50807 1 4 . 1 . 1 3 3 THR CA C 13 62.05091 0 . 6 . . . . . 3 T CA . 50807 1 5 . 1 . 1 3 3 THR CB C 13 70.10593 0 . 6 . . . . . 3 T CB . 50807 1 6 . 1 . 1 3 3 THR N N 15 115.82545 0 . 6 . . . . . 3 T N . 50807 1 7 . 1 . 1 4 4 LYS H H 1 8.41939 0.00287 . 6 . . . . . 4 K HN . 50807 1 8 . 1 . 1 4 4 LYS CA C 13 56.73141 0 . 6 . . . . . 4 K CA . 50807 1 9 . 1 . 1 4 4 LYS CB C 13 33.23817 0 . 6 . . . . . 4 K CB . 50807 1 10 . 1 . 1 4 4 LYS N N 15 123.46534 1.35E-06 . 6 . . . . . 4 K N . 50807 1 11 . 1 . 1 5 5 GLN H H 1 8.49771 0.0011 . 1 . . . . . 5 Q HN . 50807 1 12 . 1 . 1 5 5 GLN CA C 13 56.42836 0 . 1 . . . . . 5 Q CA . 50807 1 13 . 1 . 1 5 5 GLN CB C 13 29.54726 0 . 1 . . . . . 5 Q CB . 50807 1 14 . 1 . 1 5 5 GLN N N 15 121.66321 0.03539 . 1 . . . . . 5 Q N . 50807 1 15 . 1 . 1 6 6 THR H H 1 8.03583 0.0026 . 1 . . . . . 6 T HN . 50807 1 16 . 1 . 1 6 6 THR CA C 13 62.14633 0 . 1 . . . . . 6 T CA . 50807 1 17 . 1 . 1 6 6 THR CB C 13 69.8674 0 . 1 . . . . . 6 T CB . 50807 1 18 . 1 . 1 6 6 THR N N 15 114.65409 0.0172 . 1 . . . . . 6 T N . 50807 1 19 . 1 . 1 7 7 ALA H H 1 8.27356 0.00453 . 1 . . . . . 7 A HN . 50807 1 20 . 1 . 1 7 7 ALA CA C 13 52.74743 0 . 1 . . . . . 7 A CA . 50807 1 21 . 1 . 1 7 7 ALA CB C 13 19.39888 0 . 1 . . . . . 7 A CB . 50807 1 22 . 1 . 1 7 7 ALA N N 15 125.97207 1.91E-06 . 1 . . . . . 7 A N . 50807 1 23 . 1 . 1 8 8 ARG H H 1 8.22145 7.49E-04 . 1 . . . . . 8 R HN . 50807 1 24 . 1 . 1 8 8 ARG CA C 13 56.37947 0 . 1 . . . . . 8 R CA . 50807 1 25 . 1 . 1 8 8 ARG CB C 13 30.90763 0 . 1 . . . . . 8 R CB . 50807 1 26 . 1 . 1 8 8 ARG N N 15 119.85519 1.91E-06 . 1 . . . . . 8 R N . 50807 1 27 . 1 . 1 9 9 LYS H H 1 8.31678 0 . 9 . . . . . 9 K HN . 50807 1 28 . 1 . 1 9 9 LYS N N 15 122.14435 0 . 9 . . . . . 9 K N . 50807 1 29 . 1 . 1 10 10 SER H H 1 8.3556 6.62E-04 . 6 . . . . . 10 S HN . 50807 1 30 . 1 . 1 10 10 SER CA C 13 58.39859 0 . 6 . . . . . 10 S CA . 50807 1 31 . 1 . 1 10 10 SER CB C 13 63.96363 0 . 6 . . . . . 10 S CB . 50807 1 32 . 1 . 1 10 10 SER N N 15 116.85929 0.00855 . 6 . . . . . 10 S N . 50807 1 33 . 1 . 1 11 11 THR H H 1 8.16871 0.00283 . 6 . . . . . 11 T HN . 50807 1 34 . 1 . 1 11 11 THR CA C 13 62.16403 0 . 6 . . . . . 11 T CA . 50807 1 35 . 1 . 1 11 11 THR CB C 13 69.86249 0 . 6 . . . . . 11 T CB . 50807 1 36 . 1 . 1 11 11 THR N N 15 114.86717 1.35E-06 . 6 . . . . . 11 T N . 50807 1 37 . 1 . 1 12 12 GLY H H 1 8.39233 0.00169 . 9 . . . . . 12 G HN . 50807 1 38 . 1 . 1 12 12 GLY CA C 13 45.62011 0 . 9 . . . . . 12 G CA . 50807 1 39 . 1 . 1 12 12 GLY N N 15 110.81616 0.00604 . 9 . . . . . 12 G N . 50807 1 40 . 1 . 1 13 13 GLY H H 1 8.24637 0.00105 . 9 . . . . . 13 G HN . 50807 1 41 . 1 . 1 13 13 GLY CA C 13 45.41553 0 . 9 . . . . . 13 G CA . 50807 1 42 . 1 . 1 13 13 GLY N N 15 108.69284 0.00421 . 9 . . . . . 13 G N . 50807 1 43 . 1 . 1 14 14 LYS H H 1 8.09835 0.00217 . 6 . . . . . 14 K HN . 50807 1 44 . 1 . 1 14 14 LYS CA C 13 56.04748 0 . 6 . . . . . 14 K CA . 50807 1 45 . 1 . 1 14 14 LYS CB C 13 33.36501 0 . 6 . . . . . 14 K CB . 50807 1 46 . 1 . 1 14 14 LYS N N 15 120.44776 0.06844 . 6 . . . . . 14 K N . 50807 1 47 . 1 . 1 16 16 PRO CA C 13 63.21997 0.00107 . 6 . . . . . 16 P CA . 50807 1 48 . 1 . 1 16 16 PRO CB C 13 32.13706 0.07355 . 6 . . . . . 16 P CB . 50807 1 49 . 1 . 1 17 17 ARG H H 1 8.36993 0.00401 . 6 . . . . . 17 R HN . 50807 1 50 . 1 . 1 17 17 ARG CA C 13 56.47227 0 . 6 . . . . . 17 R CA . 50807 1 51 . 1 . 1 17 17 ARG CB C 13 30.96248 0 . 6 . . . . . 17 R CB . 50807 1 52 . 1 . 1 17 17 ARG N N 15 120.98912 2.70E-06 . 6 . . . . . 17 R N . 50807 1 53 . 1 . 1 18 18 LYS H H 1 8.33853 0 . 9 . . . . . 18 K HN . 50807 1 54 . 1 . 1 18 18 LYS N N 15 121.87538 0 . 9 . . . . . 18 K N . 50807 1 55 . 1 . 1 19 19 GLN H H 1 8.34306 0.0027 . 6 . . . . . 19 Q HN . 50807 1 56 . 1 . 1 19 19 GLN CA C 13 56.18808 0 . 6 . . . . . 19 Q CA . 50807 1 57 . 1 . 1 19 19 GLN CB C 13 29.58461 0 . 6 . . . . . 19 Q CB . 50807 1 58 . 1 . 1 19 19 GLN N N 15 121.02768 0 . 6 . . . . . 19 Q N . 50807 1 59 . 1 . 1 20 20 LEU H H 1 8.20317 0 . 9 . . . . . 20 L HN . 50807 1 60 . 1 . 1 20 20 LEU N N 15 122.94516 0 . 9 . . . . . 20 L N . 50807 1 61 . 1 . 1 21 21 ALA H H 1 8.29062 0.0029 . 6 . . . . . 21 A HN . 50807 1 62 . 1 . 1 21 21 ALA CA C 13 52.93062 0 . 6 . . . . . 21 A CA . 50807 1 63 . 1 . 1 21 21 ALA CB C 13 19.28829 0 . 6 . . . . . 21 A CB . 50807 1 64 . 1 . 1 21 21 ALA N N 15 124.06904 0.02073 . 6 . . . . . 21 A N . 50807 1 65 . 1 . 1 22 22 THR H H 1 7.98127 1.98E-04 . 6 . . . . . 22 T HN . 50807 1 66 . 1 . 1 22 22 THR N N 15 112.71242 0 . 6 . . . . . 22 T N . 50807 1 67 . 1 . 1 23 23 LYS H H 1 8.18776 0.00102 . 1 . . . . . 23 K HN . 50807 1 68 . 1 . 1 23 23 LYS CA C 13 57.10415 0 . 1 . . . . . 23 K CA . 50807 1 69 . 1 . 1 23 23 LYS CB C 13 32.94826 0 . 1 . . . . . 23 K CB . 50807 1 70 . 1 . 1 23 23 LYS N N 15 122.94864 0 . 1 . . . . . 23 K N . 50807 1 71 . 1 . 1 24 24 ALA H H 1 8.17443 0.00121 . 1 . . . . . 24 A HN . 50807 1 72 . 1 . 1 24 24 ALA CA C 13 53.11894 0 . 1 . . . . . 24 A CA . 50807 1 73 . 1 . 1 24 24 ALA CB C 13 19.22148 0 . 1 . . . . . 24 A CB . 50807 1 74 . 1 . 1 24 24 ALA N N 15 124.07739 0.00351 . 1 . . . . . 24 A N . 50807 1 75 . 1 . 1 25 25 ALA H H 1 8.08107 0.00102 . 1 . . . . . 25 A HN . 50807 1 76 . 1 . 1 25 25 ALA CA C 13 52.92549 0 . 1 . . . . . 25 A CA . 50807 1 77 . 1 . 1 25 25 ALA CB C 13 19.19347 0 . 1 . . . . . 25 A CB . 50807 1 78 . 1 . 1 25 25 ALA N N 15 122.57366 0.0195 . 1 . . . . . 25 A N . 50807 1 79 . 1 . 1 26 26 ARG H H 1 8.11128 0.00151 . 1 . . . . . 26 R HN . 50807 1 80 . 1 . 1 26 26 ARG CA C 13 56.58213 0 . 1 . . . . . 26 R CA . 50807 1 81 . 1 . 1 26 26 ARG CB C 13 30.83504 0 . 1 . . . . . 26 R CB . 50807 1 82 . 1 . 1 26 26 ARG N N 15 119.47167 0.00734 . 1 . . . . . 26 R N . 50807 1 83 . 1 . 1 27 27 LYS H H 1 8.22246 7.67E-04 . 9 . . . . . 27 K HN . 50807 1 84 . 1 . 1 27 27 LYS CA C 13 56.71624 0 . 9 . . . . . 27 K CA . 50807 1 85 . 1 . 1 27 27 LYS CB C 13 33.08316 0 . 9 . . . . . 27 K CB . 50807 1 86 . 1 . 1 27 27 LYS N N 15 121.59625 0.0036 . 9 . . . . . 27 K N . 50807 1 87 . 1 . 1 28 28 SER H H 1 8.13318 0.00136 . 6 . . . . . 28 S HN . 50807 1 88 . 1 . 1 28 28 SER CA C 13 58.36495 0 . 6 . . . . . 28 S CA . 50807 1 89 . 1 . 1 28 28 SER CB C 13 64.11943 0 . 6 . . . . . 28 S CB . 50807 1 90 . 1 . 1 28 28 SER N N 15 116.20632 1.35E-06 . 6 . . . . . 28 S N . 50807 1 91 . 1 . 1 29 29 ALA H H 1 8.1625 4.54E-04 . 6 . . . . . 29 A HN . 50807 1 92 . 1 . 1 29 29 ALA CA C 13 50.73431 0 . 6 . . . . . 29 A CA . 50807 1 93 . 1 . 1 29 29 ALA CB C 13 18.49886 0 . 6 . . . . . 29 A CB . 50807 1 94 . 1 . 1 29 29 ALA N N 15 126.67904 1.91E-06 . 6 . . . . . 29 A N . 50807 1 95 . 1 . 1 30 30 PRO CA C 13 63.21333 0.00917 . 6 . . . . . 30 P CA . 50807 1 96 . 1 . 1 30 30 PRO CB C 13 32.1302 0.02471 . 6 . . . . . 30 P CB . 50807 1 97 . 1 . 1 31 31 ALA H H 1 8.39338 0.00123 . 6 . . . . . 31 A HN . 50807 1 98 . 1 . 1 31 31 ALA CA C 13 52.72527 0 . 6 . . . . . 31 A CA . 50807 1 99 . 1 . 1 31 31 ALA CB C 13 19.20639 0 . 6 . . . . . 31 A CB . 50807 1 100 . 1 . 1 31 31 ALA N N 15 124.15497 0.01248 . 6 . . . . . 31 A N . 50807 1 101 . 1 . 1 32 32 THR H H 1 7.97438 0.00119 . 6 . . . . . 32 T HN . 50807 1 102 . 1 . 1 32 32 THR CA C 13 62.01999 0 . 6 . . . . . 32 T CA . 50807 1 103 . 1 . 1 32 32 THR CB C 13 69.94778 0 . 6 . . . . . 32 T CB . 50807 1 104 . 1 . 1 32 32 THR N N 15 111.74165 0.00584 . 6 . . . . . 32 T N . 50807 1 105 . 1 . 1 33 33 GLY H H 1 8.31213 2.70E-04 . 9 . . . . . 33 G HN . 50807 1 106 . 1 . 1 33 33 GLY N N 15 110.77662 0.00671 . 9 . . . . . 33 G N . 50807 1 107 . 1 . 1 34 34 GLY H H 1 8.18668 0.00113 . 9 . . . . . 34 G HN . 50807 1 108 . 1 . 1 34 34 GLY CA C 13 45.37263 0 . 9 . . . . . 34 G CA . 50807 1 109 . 1 . 1 34 34 GLY N N 15 108.67031 0.00621 . 9 . . . . . 34 G N . 50807 1 110 . 1 . 1 35 35 VAL H H 1 7.92979 3.36E-04 . 6 . . . . . 35 V HN . 50807 1 111 . 1 . 1 35 35 VAL CA C 13 62.38133 0 . 6 . . . . . 35 V CA . 50807 1 112 . 1 . 1 35 35 VAL CB C 13 32.90047 0 . 6 . . . . . 35 V CB . 50807 1 113 . 1 . 1 35 35 VAL N N 15 119.08061 0.00442 . 6 . . . . . 35 V N . 50807 1 114 . 1 . 1 36 36 LYS H H 1 8.24973 0.0065 . 6 . . . . . 36 K HN . 50807 1 115 . 1 . 1 36 36 LYS CA C 13 56.24768 0 . 6 . . . . . 36 K CA . 50807 1 116 . 1 . 1 36 36 LYS CB C 13 33.19641 0 . 6 . . . . . 36 K CB . 50807 1 117 . 1 . 1 36 36 LYS N N 15 125.252 1.91E-06 . 6 . . . . . 36 K N . 50807 1 118 . 2 . 1 2 2 ARG CA C 13 56.50641 0 . 6 . . . . . 2 R CA . 50807 1 119 . 2 . 1 2 2 ARG CB C 13 30.96034 0 . 6 . . . . . 2 R CB . 50807 1 120 . 2 . 1 3 3 THR H H 1 8.2705 0.00104 . 6 . . . . . 3 T HN . 50807 1 121 . 2 . 1 3 3 THR CA C 13 62.09862 0 . 6 . . . . . 3 T CA . 50807 1 122 . 2 . 1 3 3 THR CB C 13 70.12498 0 . 6 . . . . . 3 T CB . 50807 1 123 . 2 . 1 3 3 THR N N 15 116.12486 0.00988 . 6 . . . . . 3 T N . 50807 1 124 . 2 . 1 4 4 LYS H H 1 8.41885 0.00169 . 6 . . . . . 4 K HN . 50807 1 125 . 2 . 1 4 4 LYS CA C 13 56.64833 0 . 6 . . . . . 4 K CA . 50807 1 126 . 2 . 1 4 4 LYS CB C 13 33.19428 0 . 6 . . . . . 4 K CB . 50807 1 127 . 2 . 1 4 4 LYS N N 15 123.78218 0.02078 . 6 . . . . . 4 K N . 50807 1 128 . 2 . 1 5 5 GLN H H 1 8.52694 7.60E-04 . 1 . . . . . 5 Q HN . 50807 1 129 . 2 . 1 5 5 GLN CA C 13 56.27571 0 . 1 . . . . . 5 Q CA . 50807 1 130 . 2 . 1 5 5 GLN CB C 13 29.53368 0 . 1 . . . . . 5 Q CB . 50807 1 131 . 2 . 1 5 5 GLN N N 15 121.96169 0.00662 . 1 . . . . . 5 Q N . 50807 1 132 . 2 . 1 6 6 THR H H 1 8.09605 0.00132 . 1 . . . . . 6 T HN . 50807 1 133 . 2 . 1 6 6 THR CA C 13 62.1073 0 . 1 . . . . . 6 T CA . 50807 1 134 . 2 . 1 6 6 THR CB C 13 69.90038 0 . 1 . . . . . 6 T CB . 50807 1 135 . 2 . 1 6 6 THR N N 15 115.17449 0.00629 . 1 . . . . . 6 T N . 50807 1 136 . 2 . 1 7 7 ALA H H 1 8.278 0.00123 . 1 . . . . . 7 A HN . 50807 1 137 . 2 . 1 7 7 ALA CA C 13 52.62518 0 . 1 . . . . . 7 A CA . 50807 1 138 . 2 . 1 7 7 ALA CB C 13 19.44468 0 . 1 . . . . . 7 A CB . 50807 1 139 . 2 . 1 7 7 ALA N N 15 126.28017 0.01281 . 1 . . . . . 7 A N . 50807 1 140 . 2 . 1 8 8 ARG H H 1 8.25047 0.0011 . 1 . . . . . 8 R HN . 50807 1 141 . 2 . 1 8 8 ARG CA C 13 56.30076 0 . 1 . . . . . 8 R CA . 50807 1 142 . 2 . 1 8 8 ARG CB C 13 30.95818 0 . 1 . . . . . 8 R CB . 50807 1 143 . 2 . 1 8 8 ARG N N 15 120.46389 0.01353 . 1 . . . . . 8 R N . 50807 1 144 . 2 . 1 9 9 LYS H H 1 8.38009 0.00169 . 9 . . . . . 9 K HN . 50807 1 145 . 2 . 1 9 9 LYS CA C 13 56.50709 0 . 9 . . . . . 9 K CA . 50807 1 146 . 2 . 1 9 9 LYS CB C 13 33.24295 0 . 9 . . . . . 9 K CB . 50807 1 147 . 2 . 1 9 9 LYS N N 15 122.59776 0.00762 . 9 . . . . . 9 K N . 50807 1 148 . 2 . 1 11 11 THR H H 1 8.18481 0.00249 . 6 . . . . . 11 T HN . 50807 1 149 . 2 . 1 11 11 THR CA C 13 62.1331 0 . 6 . . . . . 11 T CA . 50807 1 150 . 2 . 1 11 11 THR CB C 13 69.8722 0 . 6 . . . . . 11 T CB . 50807 1 151 . 2 . 1 11 11 THR N N 15 115.07401 0.0084 . 6 . . . . . 11 T N . 50807 1 152 . 2 . 1 14 14 LYS H H 1 8.12911 0.00184 . 6 . . . . . 14 K HN . 50807 1 153 . 2 . 1 14 14 LYS CA C 13 56.07421 0 . 6 . . . . . 14 K CA . 50807 1 154 . 2 . 1 14 14 LYS CB C 13 33.36795 0 . 6 . . . . . 14 K CB . 50807 1 155 . 2 . 1 14 14 LYS N N 15 120.69834 0.00172 . 6 . . . . . 14 K N . 50807 1 156 . 2 . 1 15 15 ALA H H 1 8.31481 0.00139 . 6 . . . . . 15 A HN . 50807 1 157 . 2 . 1 15 15 ALA CA C 13 50.6156 0 . 6 . . . . . 15 A CA . 50807 1 158 . 2 . 1 15 15 ALA CB C 13 18.40398 0 . 6 . . . . . 15 A CB . 50807 1 159 . 2 . 1 15 15 ALA N N 15 126.57636 0.01778 . 6 . . . . . 15 A N . 50807 1 160 . 2 . 1 16 16 PRO CA C 13 63.07974 0.015 . 6 . . . . . 16 P CA . 50807 1 161 . 2 . 1 16 16 PRO CB C 13 32.14048 0.02305 . 6 . . . . . 16 P CB . 50807 1 162 . 2 . 1 17 17 ARG H H 1 8.38747 8.36E-04 . 6 . . . . . 17 R HN . 50807 1 163 . 2 . 1 17 17 ARG CA C 13 56.45776 0 . 6 . . . . . 17 R CA . 50807 1 164 . 2 . 1 17 17 ARG CB C 13 30.9477 0 . 6 . . . . . 17 R CB . 50807 1 165 . 2 . 1 17 17 ARG N N 15 121.24994 0.01525 . 6 . . . . . 17 R N . 50807 1 166 . 2 . 1 18 18 LYS H H 1 8.33747 6.53E-04 . 9 . . . . . 18 K HN . 50807 1 167 . 2 . 1 18 18 LYS CA C 13 56.61991 0 . 9 . . . . . 18 K CA . 50807 1 168 . 2 . 1 18 18 LYS CB C 13 33.19563 0 . 9 . . . . . 18 K CB . 50807 1 169 . 2 . 1 18 18 LYS N N 15 122.15637 0.00509 . 9 . . . . . 18 K N . 50807 1 170 . 2 . 1 19 19 GLN H H 1 8.3321 0.00152 . 6 . . . . . 19 Q HN . 50807 1 171 . 2 . 1 19 19 GLN CA C 13 56.12169 0 . 6 . . . . . 19 Q CA . 50807 1 172 . 2 . 1 19 19 GLN CB C 13 29.55204 0 . 6 . . . . . 19 Q CB . 50807 1 173 . 2 . 1 19 19 GLN N N 15 121.32768 0.01278 . 6 . . . . . 19 Q N . 50807 1 174 . 2 . 1 20 20 LEU H H 1 8.21202 0.001 . 6 . . . . . 20 L HN . 50807 1 175 . 2 . 1 20 20 LEU CA C 13 55.43347 0.09507 . 6 . . . . . 20 L CA . 50807 1 176 . 2 . 1 20 20 LEU CB C 13 42.64334 0.02021 . 6 . . . . . 20 L CB . 50807 1 177 . 2 . 1 20 20 LEU N N 15 123.4778 0.00407 . 6 . . . . . 20 L N . 50807 1 178 . 2 . 1 21 21 ALA H H 1 8.28382 0.00108 . 6 . . . . . 21 A HN . 50807 1 179 . 2 . 1 21 21 ALA CA C 13 52.76389 0 . 6 . . . . . 21 A CA . 50807 1 180 . 2 . 1 21 21 ALA CB C 13 19.30747 0 . 6 . . . . . 21 A CB . 50807 1 181 . 2 . 1 21 21 ALA N N 15 124.52168 0.01145 . 6 . . . . . 21 A N . 50807 1 182 . 2 . 1 22 22 THR H H 1 7.94903 3.99E-04 . 6 . . . . . 22 T HN . 50807 1 183 . 2 . 1 22 22 THR CA C 13 62.18442 0 . 6 . . . . . 22 T CA . 50807 1 184 . 2 . 1 22 22 THR CB C 13 69.90551 0 . 6 . . . . . 22 T CB . 50807 1 185 . 2 . 1 22 22 THR N N 15 112.82732 0.00329 . 6 . . . . . 22 T N . 50807 1 186 . 2 . 1 23 23 LYS H H 1 8.24111 0.00124 . 1 . . . . . 23 K HN . 50807 1 187 . 2 . 1 23 23 LYS CA C 13 56.8851 0 . 1 . . . . . 23 K CA . 50807 1 188 . 2 . 1 23 23 LYS CB C 13 33.03135 0 . 1 . . . . . 23 K CB . 50807 1 189 . 2 . 1 23 23 LYS N N 15 123.21007 0.00497 . 1 . . . . . 23 K N . 50807 1 190 . 2 . 1 24 24 ALA H H 1 8.1972 0.0016 . 1 . . . . . 24 A HN . 50807 1 191 . 2 . 1 24 24 ALA CA C 13 52.73703 0 . 1 . . . . . 24 A CA . 50807 1 192 . 2 . 1 24 24 ALA CB C 13 19.30143 0 . 1 . . . . . 24 A CB . 50807 1 193 . 2 . 1 24 24 ALA N N 15 124.54506 0.00763 . 1 . . . . . 24 A N . 50807 1 194 . 2 . 1 25 25 ALA H H 1 8.10627 7.54E-04 . 1 . . . . . 25 A HN . 50807 1 195 . 2 . 1 25 25 ALA CA C 13 52.76221 0 . 1 . . . . . 25 A CA . 50807 1 196 . 2 . 1 25 25 ALA CB C 13 19.25925 0 . 1 . . . . . 25 A CB . 50807 1 197 . 2 . 1 25 25 ALA N N 15 122.98955 0.00465 . 1 . . . . . 25 A N . 50807 1 198 . 2 . 1 26 26 ARG H H 1 8.17251 0.00149 . 1 . . . . . 26 R HN . 50807 1 199 . 2 . 1 26 26 ARG CA C 13 56.39987 0 . 1 . . . . . 26 R CA . 50807 1 200 . 2 . 1 26 26 ARG CB C 13 30.90257 0 . 1 . . . . . 26 R CB . 50807 1 201 . 2 . 1 26 26 ARG N N 15 119.87102 0.00848 . 1 . . . . . 26 R N . 50807 1 202 . 2 . 1 27 27 LYS H H 1 8.27019 0.00134 . 9 . . . . . 27 K HN . 50807 1 203 . 2 . 1 27 27 LYS CA C 13 56.59273 0 . 9 . . . . . 27 K CA . 50807 1 204 . 2 . 1 27 27 LYS CB C 13 33.16092 0 . 9 . . . . . 27 K CB . 50807 1 205 . 2 . 1 27 27 LYS N N 15 121.9831 0.01788 . 9 . . . . . 27 K N . 50807 1 206 . 2 . 1 28 28 SER H H 1 8.1656 0.00189 . 6 . . . . . 28 S HN . 50807 1 207 . 2 . 1 28 28 SER CA C 13 58.24522 0 . 6 . . . . . 28 S CA . 50807 1 208 . 2 . 1 28 28 SER CB C 13 64.14352 0 . 6 . . . . . 28 S CB . 50807 1 209 . 2 . 1 28 28 SER N N 15 116.53438 0.01591 . 6 . . . . . 28 S N . 50807 1 210 . 2 . 1 29 29 ALA H H 1 8.19418 0.00122 . 6 . . . . . 29 A HN . 50807 1 211 . 2 . 1 29 29 ALA CA C 13 50.69673 0 . 6 . . . . . 29 A CA . 50807 1 212 . 2 . 1 29 29 ALA CB C 13 18.49404 0 . 6 . . . . . 29 A CB . 50807 1 213 . 2 . 1 29 29 ALA N N 15 126.72831 0.00691 . 6 . . . . . 29 A N . 50807 1 214 . 2 . 1 32 32 THR H H 1 8.01743 0.00163 . 6 . . . . . 32 T HN . 50807 1 215 . 2 . 1 32 32 THR CA C 13 61.90513 0 . 6 . . . . . 32 T CA . 50807 1 216 . 2 . 1 32 32 THR CB C 13 70.00022 0 . 6 . . . . . 32 T CB . 50807 1 217 . 2 . 1 32 32 THR N N 15 112.23361 0.00674 . 6 . . . . . 32 T N . 50807 1 218 . 2 . 1 33 33 GLY H H 1 8.33324 0.00188 . 9 . . . . . 33 G HN . 50807 1 219 . 2 . 1 33 33 GLY CA C 13 45.57866 0 . 9 . . . . . 33 G CA . 50807 1 220 . 2 . 1 33 33 GLY N N 15 110.75619 0.0099 . 9 . . . . . 33 G N . 50807 1 221 . 2 . 1 34 34 GLY H H 1 8.24637 0.00105 . 9 . . . . . 34 G HN . 50807 1 222 . 2 . 1 34 34 GLY CA C 13 45.41553 0 . 9 . . . . . 34 G CA . 50807 1 223 . 2 . 1 34 34 GLY N N 15 108.69284 0.00421 . 9 . . . . . 34 G N . 50807 1 224 . 2 . 1 36 36 LYS H H 1 8.33598 5.48E-04 . 6 . . . . . 36 K HN . 50807 1 225 . 2 . 1 36 36 LYS CA C 13 56.19052 0 . 6 . . . . . 36 K CA . 50807 1 226 . 2 . 1 36 36 LYS CB C 13 33.10408 0 . 6 . . . . . 36 K CB . 50807 1 227 . 2 . 1 36 36 LYS N N 15 125.2832 0.00548 . 6 . . . . . 36 K N . 50807 1 228 . 2 . 1 37 37 LYS H H 1 8.29348 0.0038 . 6 . . . . . 37 K HN . 50807 1 229 . 2 . 1 37 37 LYS CA C 13 54.31779 0 . 6 . . . . . 37 K CA . 50807 1 230 . 2 . 1 37 37 LYS CB C 13 32.75313 0 . 6 . . . . . 37 K CB . 50807 1 231 . 2 . 1 37 37 LYS N N 15 123.77493 0.0141 . 6 . . . . . 37 K N . 50807 1 stop_ save_