data_50805 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50805 _Entry.Title ; Histone H3 tail within tetrasome ; _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 tetrasome 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 50805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 68 50805 '15N chemical shifts' 33 50805 '1H chemical shifts' 33 50805 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 . 50805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50806 'Histone H3 tail within nucleosome' 50805 BMRB 50807 'Histone H3 tail within hexasome' 50805 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50805 _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. . . 50805 1 2 Lokesh Baweja . . . . 50805 1 3 Michael Poirier . G. . . 50805 1 4 Jeff Wereszczynski . . . . 50805 1 5 Catherine Musselman . A. . . 50805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50805 _Assembly.ID 1 _Assembly.Name tetrasome _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 tetramer 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 1 . . 50805 1 2 'H3, 2' 1 $entity_1 . . yes native no no 1 . . 50805 1 3 'H4, 1' 2 $entity_2 . . no native no no . . . 50805 1 4 'H4, 2' 2 $entity_2 . . no native no no . . . 50805 1 5 DNA_1 3 $entity_3 . . no native no no . . . 50805 1 6 DNA_2 4 $entity_4 . . no native no no . . . 50805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50805 _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 . 50805 1 2 . ARG . 50805 1 3 . THR . 50805 1 4 . LYS . 50805 1 5 . GLN . 50805 1 6 . THR . 50805 1 7 . ALA . 50805 1 8 . ARG . 50805 1 9 . LYS . 50805 1 10 . SER . 50805 1 11 . THR . 50805 1 12 . GLY . 50805 1 13 . GLY . 50805 1 14 . LYS . 50805 1 15 . ALA . 50805 1 16 . PRO . 50805 1 17 . ARG . 50805 1 18 . LYS . 50805 1 19 . GLN . 50805 1 20 . LEU . 50805 1 21 . ALA . 50805 1 22 . THR . 50805 1 23 . LYS . 50805 1 24 . ALA . 50805 1 25 . ALA . 50805 1 26 . ARG . 50805 1 27 . LYS . 50805 1 28 . SER . 50805 1 29 . ALA . 50805 1 30 . PRO . 50805 1 31 . ALA . 50805 1 32 . THR . 50805 1 33 . GLY . 50805 1 34 . GLY . 50805 1 35 . VAL . 50805 1 36 . LYS . 50805 1 37 . LYS . 50805 1 38 . PRO . 50805 1 39 . HIS . 50805 1 40 . ARG . 50805 1 41 . TYR . 50805 1 42 . ARG . 50805 1 43 . PRO . 50805 1 44 . GLY . 50805 1 45 . THR . 50805 1 46 . VAL . 50805 1 47 . ALA . 50805 1 48 . LEU . 50805 1 49 . ARG . 50805 1 50 . GLU . 50805 1 51 . ILE . 50805 1 52 . ARG . 50805 1 53 . ARG . 50805 1 54 . TYR . 50805 1 55 . GLN . 50805 1 56 . LYS . 50805 1 57 . SER . 50805 1 58 . THR . 50805 1 59 . GLU . 50805 1 60 . LEU . 50805 1 61 . LEU . 50805 1 62 . ILE . 50805 1 63 . ARG . 50805 1 64 . LYS . 50805 1 65 . LEU . 50805 1 66 . PRO . 50805 1 67 . PHE . 50805 1 68 . GLN . 50805 1 69 . ARG . 50805 1 70 . LEU . 50805 1 71 . VAL . 50805 1 72 . ARG . 50805 1 73 . GLU . 50805 1 74 . ILE . 50805 1 75 . ALA . 50805 1 76 . GLN . 50805 1 77 . ASP . 50805 1 78 . PHE . 50805 1 79 . LYS . 50805 1 80 . THR . 50805 1 81 . ASP . 50805 1 82 . LEU . 50805 1 83 . ARG . 50805 1 84 . PHE . 50805 1 85 . GLN . 50805 1 86 . SER . 50805 1 87 . SER . 50805 1 88 . ALA . 50805 1 89 . VAL . 50805 1 90 . MET . 50805 1 91 . ALA . 50805 1 92 . LEU . 50805 1 93 . GLN . 50805 1 94 . GLU . 50805 1 95 . ALA . 50805 1 96 . SER . 50805 1 97 . GLU . 50805 1 98 . ALA . 50805 1 99 . TYR . 50805 1 100 . LEU . 50805 1 101 . VAL . 50805 1 102 . GLY . 50805 1 103 . LEU . 50805 1 104 . PHE . 50805 1 105 . GLU . 50805 1 106 . ASP . 50805 1 107 . THR . 50805 1 108 . ASN . 50805 1 109 . LEU . 50805 1 110 . ALA . 50805 1 111 . ALA . 50805 1 112 . ILE . 50805 1 113 . HIS . 50805 1 114 . ALA . 50805 1 115 . LYS . 50805 1 116 . ARG . 50805 1 117 . VAL . 50805 1 118 . THR . 50805 1 119 . ILE . 50805 1 120 . MET . 50805 1 121 . PRO . 50805 1 122 . LYS . 50805 1 123 . ASP . 50805 1 124 . ILE . 50805 1 125 . GLN . 50805 1 126 . LEU . 50805 1 127 . ALA . 50805 1 128 . ARG . 50805 1 129 . ARG . 50805 1 130 . ILE . 50805 1 131 . ARG . 50805 1 132 . GLY . 50805 1 133 . GLU . 50805 1 134 . ARG . 50805 1 135 . ALA . 50805 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 50805 1 . ARG 2 2 50805 1 . THR 3 3 50805 1 . LYS 4 4 50805 1 . GLN 5 5 50805 1 . THR 6 6 50805 1 . ALA 7 7 50805 1 . ARG 8 8 50805 1 . LYS 9 9 50805 1 . SER 10 10 50805 1 . THR 11 11 50805 1 . GLY 12 12 50805 1 . GLY 13 13 50805 1 . LYS 14 14 50805 1 . ALA 15 15 50805 1 . PRO 16 16 50805 1 . ARG 17 17 50805 1 . LYS 18 18 50805 1 . GLN 19 19 50805 1 . LEU 20 20 50805 1 . ALA 21 21 50805 1 . THR 22 22 50805 1 . LYS 23 23 50805 1 . ALA 24 24 50805 1 . ALA 25 25 50805 1 . ARG 26 26 50805 1 . LYS 27 27 50805 1 . SER 28 28 50805 1 . ALA 29 29 50805 1 . PRO 30 30 50805 1 . ALA 31 31 50805 1 . THR 32 32 50805 1 . GLY 33 33 50805 1 . GLY 34 34 50805 1 . VAL 35 35 50805 1 . LYS 36 36 50805 1 . LYS 37 37 50805 1 . PRO 38 38 50805 1 . HIS 39 39 50805 1 . ARG 40 40 50805 1 . TYR 41 41 50805 1 . ARG 42 42 50805 1 . PRO 43 43 50805 1 . GLY 44 44 50805 1 . THR 45 45 50805 1 . VAL 46 46 50805 1 . ALA 47 47 50805 1 . LEU 48 48 50805 1 . ARG 49 49 50805 1 . GLU 50 50 50805 1 . ILE 51 51 50805 1 . ARG 52 52 50805 1 . ARG 53 53 50805 1 . TYR 54 54 50805 1 . GLN 55 55 50805 1 . LYS 56 56 50805 1 . SER 57 57 50805 1 . THR 58 58 50805 1 . GLU 59 59 50805 1 . LEU 60 60 50805 1 . LEU 61 61 50805 1 . ILE 62 62 50805 1 . ARG 63 63 50805 1 . LYS 64 64 50805 1 . LEU 65 65 50805 1 . PRO 66 66 50805 1 . PHE 67 67 50805 1 . GLN 68 68 50805 1 . ARG 69 69 50805 1 . LEU 70 70 50805 1 . VAL 71 71 50805 1 . ARG 72 72 50805 1 . GLU 73 73 50805 1 . ILE 74 74 50805 1 . ALA 75 75 50805 1 . GLN 76 76 50805 1 . ASP 77 77 50805 1 . PHE 78 78 50805 1 . LYS 79 79 50805 1 . THR 80 80 50805 1 . ASP 81 81 50805 1 . LEU 82 82 50805 1 . ARG 83 83 50805 1 . PHE 84 84 50805 1 . GLN 85 85 50805 1 . SER 86 86 50805 1 . SER 87 87 50805 1 . ALA 88 88 50805 1 . VAL 89 89 50805 1 . MET 90 90 50805 1 . ALA 91 91 50805 1 . LEU 92 92 50805 1 . GLN 93 93 50805 1 . GLU 94 94 50805 1 . ALA 95 95 50805 1 . SER 96 96 50805 1 . GLU 97 97 50805 1 . ALA 98 98 50805 1 . TYR 99 99 50805 1 . LEU 100 100 50805 1 . VAL 101 101 50805 1 . GLY 102 102 50805 1 . LEU 103 103 50805 1 . PHE 104 104 50805 1 . GLU 105 105 50805 1 . ASP 106 106 50805 1 . THR 107 107 50805 1 . ASN 108 108 50805 1 . LEU 109 109 50805 1 . ALA 110 110 50805 1 . ALA 111 111 50805 1 . ILE 112 112 50805 1 . HIS 113 113 50805 1 . ALA 114 114 50805 1 . LYS 115 115 50805 1 . ARG 116 116 50805 1 . VAL 117 117 50805 1 . THR 118 118 50805 1 . ILE 119 119 50805 1 . MET 120 120 50805 1 . PRO 121 121 50805 1 . LYS 122 122 50805 1 . ASP 123 123 50805 1 . ILE 124 124 50805 1 . GLN 125 125 50805 1 . LEU 126 126 50805 1 . ALA 127 127 50805 1 . ARG 128 128 50805 1 . ARG 129 129 50805 1 . ILE 130 130 50805 1 . ARG 131 131 50805 1 . GLY 132 132 50805 1 . GLU 133 133 50805 1 . ARG 134 134 50805 1 . ALA 135 135 50805 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50805 _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 . 50805 2 2 . GLY . 50805 2 3 . ARG . 50805 2 4 . GLY . 50805 2 5 . LYS . 50805 2 6 . GLY . 50805 2 7 . GLY . 50805 2 8 . LYS . 50805 2 9 . GLY . 50805 2 10 . LEU . 50805 2 11 . GLY . 50805 2 12 . LYS . 50805 2 13 . GLY . 50805 2 14 . GLY . 50805 2 15 . ALA . 50805 2 16 . LYS . 50805 2 17 . ARG . 50805 2 18 . HIS . 50805 2 19 . ARG . 50805 2 20 . LYS . 50805 2 21 . VAL . 50805 2 22 . LEU . 50805 2 23 . ARG . 50805 2 24 . ASP . 50805 2 25 . ASN . 50805 2 26 . ILE . 50805 2 27 . GLN . 50805 2 28 . GLY . 50805 2 29 . ILE . 50805 2 30 . THR . 50805 2 31 . LYS . 50805 2 32 . PRO . 50805 2 33 . ALA . 50805 2 34 . ILE . 50805 2 35 . ARG . 50805 2 36 . ARG . 50805 2 37 . LEU . 50805 2 38 . ALA . 50805 2 39 . ARG . 50805 2 40 . ARG . 50805 2 41 . GLY . 50805 2 42 . GLY . 50805 2 43 . VAL . 50805 2 44 . LYS . 50805 2 45 . ARG . 50805 2 46 . ILE . 50805 2 47 . SER . 50805 2 48 . GLY . 50805 2 49 . LEU . 50805 2 50 . ILE . 50805 2 51 . TYR . 50805 2 52 . GLU . 50805 2 53 . GLU . 50805 2 54 . THR . 50805 2 55 . ARG . 50805 2 56 . GLY . 50805 2 57 . VAL . 50805 2 58 . LEU . 50805 2 59 . LYS . 50805 2 60 . VAL . 50805 2 61 . PHE . 50805 2 62 . LEU . 50805 2 63 . GLU . 50805 2 64 . ASN . 50805 2 65 . VAL . 50805 2 66 . ILE . 50805 2 67 . ARG . 50805 2 68 . ASP . 50805 2 69 . ALA . 50805 2 70 . VAL . 50805 2 71 . THR . 50805 2 72 . TYR . 50805 2 73 . THR . 50805 2 74 . GLU . 50805 2 75 . HIS . 50805 2 76 . ALA . 50805 2 77 . LYS . 50805 2 78 . ARG . 50805 2 79 . LYS . 50805 2 80 . THR . 50805 2 81 . VAL . 50805 2 82 . THR . 50805 2 83 . ALA . 50805 2 84 . MET . 50805 2 85 . ASP . 50805 2 86 . VAL . 50805 2 87 . VAL . 50805 2 88 . TYR . 50805 2 89 . ALA . 50805 2 90 . LEU . 50805 2 91 . LYS . 50805 2 92 . ARG . 50805 2 93 . GLN . 50805 2 94 . GLY . 50805 2 95 . ARG . 50805 2 96 . THR . 50805 2 97 . LEU . 50805 2 98 . TYR . 50805 2 99 . GLY . 50805 2 100 . PHE . 50805 2 101 . GLY . 50805 2 102 . GLY . 50805 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 50805 2 . GLY 2 2 50805 2 . ARG 3 3 50805 2 . GLY 4 4 50805 2 . LYS 5 5 50805 2 . GLY 6 6 50805 2 . GLY 7 7 50805 2 . LYS 8 8 50805 2 . GLY 9 9 50805 2 . LEU 10 10 50805 2 . GLY 11 11 50805 2 . LYS 12 12 50805 2 . GLY 13 13 50805 2 . GLY 14 14 50805 2 . ALA 15 15 50805 2 . LYS 16 16 50805 2 . ARG 17 17 50805 2 . HIS 18 18 50805 2 . ARG 19 19 50805 2 . LYS 20 20 50805 2 . VAL 21 21 50805 2 . LEU 22 22 50805 2 . ARG 23 23 50805 2 . ASP 24 24 50805 2 . ASN 25 25 50805 2 . ILE 26 26 50805 2 . GLN 27 27 50805 2 . GLY 28 28 50805 2 . ILE 29 29 50805 2 . THR 30 30 50805 2 . LYS 31 31 50805 2 . PRO 32 32 50805 2 . ALA 33 33 50805 2 . ILE 34 34 50805 2 . ARG 35 35 50805 2 . ARG 36 36 50805 2 . LEU 37 37 50805 2 . ALA 38 38 50805 2 . ARG 39 39 50805 2 . ARG 40 40 50805 2 . GLY 41 41 50805 2 . GLY 42 42 50805 2 . VAL 43 43 50805 2 . LYS 44 44 50805 2 . ARG 45 45 50805 2 . ILE 46 46 50805 2 . SER 47 47 50805 2 . GLY 48 48 50805 2 . LEU 49 49 50805 2 . ILE 50 50 50805 2 . TYR 51 51 50805 2 . GLU 52 52 50805 2 . GLU 53 53 50805 2 . THR 54 54 50805 2 . ARG 55 55 50805 2 . GLY 56 56 50805 2 . VAL 57 57 50805 2 . LEU 58 58 50805 2 . LYS 59 59 50805 2 . VAL 60 60 50805 2 . PHE 61 61 50805 2 . LEU 62 62 50805 2 . GLU 63 63 50805 2 . ASN 64 64 50805 2 . VAL 65 65 50805 2 . ILE 66 66 50805 2 . ARG 67 67 50805 2 . ASP 68 68 50805 2 . ALA 69 69 50805 2 . VAL 70 70 50805 2 . THR 71 71 50805 2 . TYR 72 72 50805 2 . THR 73 73 50805 2 . GLU 74 74 50805 2 . HIS 75 75 50805 2 . ALA 76 76 50805 2 . LYS 77 77 50805 2 . ARG 78 78 50805 2 . LYS 79 79 50805 2 . THR 80 80 50805 2 . VAL 81 81 50805 2 . THR 82 82 50805 2 . ALA 83 83 50805 2 . MET 84 84 50805 2 . ASP 85 85 50805 2 . VAL 86 86 50805 2 . VAL 87 87 50805 2 . TYR 88 88 50805 2 . ALA 89 89 50805 2 . LEU 90 90 50805 2 . LYS 91 91 50805 2 . ARG 92 92 50805 2 . GLN 93 93 50805 2 . GLY 94 94 50805 2 . ARG 95 95 50805 2 . THR 96 96 50805 2 . LEU 97 97 50805 2 . TYR 98 98 50805 2 . GLY 99 99 50805 2 . PHE 100 100 50805 2 . GLY 101 101 50805 2 . GLY 102 102 50805 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 50805 _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 . 50805 3 2 . DT . 50805 3 3 . DC . 50805 3 4 . DG . 50805 3 5 . DA . 50805 3 6 . DG . 50805 3 7 . DA . 50805 3 8 . DA . 50805 3 9 . DT . 50805 3 10 . DC . 50805 3 11 . DC . 50805 3 12 . DC . 50805 3 13 . DG . 50805 3 14 . DG . 50805 3 15 . DT . 50805 3 16 . DG . 50805 3 17 . DC . 50805 3 18 . DC . 50805 3 19 . DG . 50805 3 20 . DA . 50805 3 21 . DG . 50805 3 22 . DG . 50805 3 23 . DC . 50805 3 24 . DC . 50805 3 25 . DG . 50805 3 26 . DC . 50805 3 27 . DT . 50805 3 28 . DC . 50805 3 29 . DA . 50805 3 30 . DA . 50805 3 31 . DT . 50805 3 32 . DT . 50805 3 33 . DG . 50805 3 34 . DG . 50805 3 35 . DT . 50805 3 36 . DC . 50805 3 37 . DG . 50805 3 38 . DT . 50805 3 39 . DA . 50805 3 40 . DG . 50805 3 41 . DA . 50805 3 42 . DC . 50805 3 43 . DA . 50805 3 44 . DG . 50805 3 45 . DC . 50805 3 46 . DT . 50805 3 47 . DC . 50805 3 48 . DT . 50805 3 49 . DA . 50805 3 50 . DG . 50805 3 51 . DC . 50805 3 52 . DA . 50805 3 53 . DC . 50805 3 54 . DC . 50805 3 55 . DG . 50805 3 56 . DC . 50805 3 57 . DT . 50805 3 58 . DT . 50805 3 59 . DA . 50805 3 60 . DA . 50805 3 61 . DA . 50805 3 62 . DC . 50805 3 63 . DG . 50805 3 64 . DC . 50805 3 65 . DA . 50805 3 66 . DC . 50805 3 67 . DG . 50805 3 68 . DT . 50805 3 69 . DA . 50805 3 70 . DC . 50805 3 71 . DG . 50805 3 72 . DC . 50805 3 73 . DG . 50805 3 74 . DC . 50805 3 75 . DT . 50805 3 76 . DG . 50805 3 77 . DT . 50805 3 78 . DC . 50805 3 79 . DC . 50805 3 80 . DC . 50805 3 81 . DC . 50805 3 82 . DC . 50805 3 83 . DG . 50805 3 84 . DC . 50805 3 85 . DG . 50805 3 86 . DT . 50805 3 87 . DT . 50805 3 88 . DT . 50805 3 89 . DT . 50805 3 90 . DA . 50805 3 91 . DA . 50805 3 92 . DC . 50805 3 93 . DC . 50805 3 94 . DG . 50805 3 95 . DC . 50805 3 96 . DC . 50805 3 97 . DA . 50805 3 98 . DA . 50805 3 99 . DG . 50805 3 100 . DG . 50805 3 101 . DG . 50805 3 102 . DG . 50805 3 103 . DA . 50805 3 104 . DT . 50805 3 105 . DT . 50805 3 106 . DA . 50805 3 107 . DC . 50805 3 108 . DT . 50805 3 109 . DC . 50805 3 110 . DC . 50805 3 111 . DC . 50805 3 112 . DT . 50805 3 113 . DA . 50805 3 114 . DG . 50805 3 115 . DT . 50805 3 116 . DC . 50805 3 117 . DT . 50805 3 118 . DC . 50805 3 119 . DC . 50805 3 120 . DA . 50805 3 121 . DG . 50805 3 122 . DG . 50805 3 123 . DC . 50805 3 124 . DA . 50805 3 125 . DC . 50805 3 126 . DG . 50805 3 127 . DT . 50805 3 128 . DG . 50805 3 129 . DT . 50805 3 130 . DC . 50805 3 131 . DA . 50805 3 132 . DG . 50805 3 133 . DA . 50805 3 134 . DT . 50805 3 135 . DA . 50805 3 136 . DT . 50805 3 137 . DA . 50805 3 138 . DT . 50805 3 139 . DA . 50805 3 140 . DC . 50805 3 141 . DA . 50805 3 142 . DT . 50805 3 143 . DC . 50805 3 144 . DC . 50805 3 145 . DG . 50805 3 146 . DA . 50805 3 147 . DT . 50805 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 50805 3 . DT 2 2 50805 3 . DC 3 3 50805 3 . DG 4 4 50805 3 . DA 5 5 50805 3 . DG 6 6 50805 3 . DA 7 7 50805 3 . DA 8 8 50805 3 . DT 9 9 50805 3 . DC 10 10 50805 3 . DC 11 11 50805 3 . DC 12 12 50805 3 . DG 13 13 50805 3 . DG 14 14 50805 3 . DT 15 15 50805 3 . DG 16 16 50805 3 . DC 17 17 50805 3 . DC 18 18 50805 3 . DG 19 19 50805 3 . DA 20 20 50805 3 . DG 21 21 50805 3 . DG 22 22 50805 3 . DC 23 23 50805 3 . DC 24 24 50805 3 . DG 25 25 50805 3 . DC 26 26 50805 3 . DT 27 27 50805 3 . DC 28 28 50805 3 . DA 29 29 50805 3 . DA 30 30 50805 3 . DT 31 31 50805 3 . DT 32 32 50805 3 . DG 33 33 50805 3 . DG 34 34 50805 3 . DT 35 35 50805 3 . DC 36 36 50805 3 . DG 37 37 50805 3 . DT 38 38 50805 3 . DA 39 39 50805 3 . DG 40 40 50805 3 . DA 41 41 50805 3 . DC 42 42 50805 3 . DA 43 43 50805 3 . DG 44 44 50805 3 . DC 45 45 50805 3 . DT 46 46 50805 3 . DC 47 47 50805 3 . DT 48 48 50805 3 . DA 49 49 50805 3 . DG 50 50 50805 3 . DC 51 51 50805 3 . DA 52 52 50805 3 . DC 53 53 50805 3 . DC 54 54 50805 3 . DG 55 55 50805 3 . DC 56 56 50805 3 . DT 57 57 50805 3 . DT 58 58 50805 3 . DA 59 59 50805 3 . DA 60 60 50805 3 . DA 61 61 50805 3 . DC 62 62 50805 3 . DG 63 63 50805 3 . DC 64 64 50805 3 . DA 65 65 50805 3 . DC 66 66 50805 3 . DG 67 67 50805 3 . DT 68 68 50805 3 . DA 69 69 50805 3 . DC 70 70 50805 3 . DG 71 71 50805 3 . DC 72 72 50805 3 . DG 73 73 50805 3 . DC 74 74 50805 3 . DT 75 75 50805 3 . DG 76 76 50805 3 . DT 77 77 50805 3 . DC 78 78 50805 3 . DC 79 79 50805 3 . DC 80 80 50805 3 . DC 81 81 50805 3 . DC 82 82 50805 3 . DG 83 83 50805 3 . DC 84 84 50805 3 . DG 85 85 50805 3 . DT 86 86 50805 3 . DT 87 87 50805 3 . DT 88 88 50805 3 . DT 89 89 50805 3 . DA 90 90 50805 3 . DA 91 91 50805 3 . DC 92 92 50805 3 . DC 93 93 50805 3 . DG 94 94 50805 3 . DC 95 95 50805 3 . DC 96 96 50805 3 . DA 97 97 50805 3 . DA 98 98 50805 3 . DG 99 99 50805 3 . DG 100 100 50805 3 . DG 101 101 50805 3 . DG 102 102 50805 3 . DA 103 103 50805 3 . DT 104 104 50805 3 . DT 105 105 50805 3 . DA 106 106 50805 3 . DC 107 107 50805 3 . DT 108 108 50805 3 . DC 109 109 50805 3 . DC 110 110 50805 3 . DC 111 111 50805 3 . DT 112 112 50805 3 . DA 113 113 50805 3 . DG 114 114 50805 3 . DT 115 115 50805 3 . DC 116 116 50805 3 . DT 117 117 50805 3 . DC 118 118 50805 3 . DC 119 119 50805 3 . DA 120 120 50805 3 . DG 121 121 50805 3 . DG 122 122 50805 3 . DC 123 123 50805 3 . DA 124 124 50805 3 . DC 125 125 50805 3 . DG 126 126 50805 3 . DT 127 127 50805 3 . DG 128 128 50805 3 . DT 129 129 50805 3 . DC 130 130 50805 3 . DA 131 131 50805 3 . DG 132 132 50805 3 . DA 133 133 50805 3 . DT 134 134 50805 3 . DA 135 135 50805 3 . DT 136 136 50805 3 . DA 137 137 50805 3 . DT 138 138 50805 3 . DA 139 139 50805 3 . DC 140 140 50805 3 . DA 141 141 50805 3 . DT 142 142 50805 3 . DC 143 143 50805 3 . DC 144 144 50805 3 . DG 145 145 50805 3 . DA 146 146 50805 3 . DT 147 147 50805 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 50805 _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 . 50805 4 2 . DT . 50805 4 3 . DC . 50805 4 4 . DG . 50805 4 5 . DG . 50805 4 6 . DA . 50805 4 7 . DT . 50805 4 8 . DG . 50805 4 9 . DT . 50805 4 10 . DA . 50805 4 11 . DT . 50805 4 12 . DA . 50805 4 13 . DT . 50805 4 14 . DA . 50805 4 15 . DT . 50805 4 16 . DC . 50805 4 17 . DT . 50805 4 18 . DG . 50805 4 19 . DA . 50805 4 20 . DC . 50805 4 21 . DA . 50805 4 22 . DC . 50805 4 23 . DG . 50805 4 24 . DT . 50805 4 25 . DG . 50805 4 26 . DC . 50805 4 27 . DC . 50805 4 28 . DT . 50805 4 29 . DG . 50805 4 30 . DG . 50805 4 31 . DA . 50805 4 32 . DG . 50805 4 33 . DA . 50805 4 34 . DC . 50805 4 35 . DT . 50805 4 36 . DA . 50805 4 37 . DG . 50805 4 38 . DG . 50805 4 39 . DG . 50805 4 40 . DA . 50805 4 41 . DG . 50805 4 42 . DT . 50805 4 43 . DA . 50805 4 44 . DA . 50805 4 45 . DT . 50805 4 46 . DC . 50805 4 47 . DC . 50805 4 48 . DC . 50805 4 49 . DC . 50805 4 50 . DT . 50805 4 51 . DT . 50805 4 52 . DG . 50805 4 53 . DG . 50805 4 54 . DC . 50805 4 55 . DG . 50805 4 56 . DG . 50805 4 57 . DT . 50805 4 58 . DT . 50805 4 59 . DA . 50805 4 60 . DA . 50805 4 61 . DA . 50805 4 62 . DA . 50805 4 63 . DC . 50805 4 64 . DG . 50805 4 65 . DC . 50805 4 66 . DG . 50805 4 67 . DG . 50805 4 68 . DG . 50805 4 69 . DG . 50805 4 70 . DG . 50805 4 71 . DA . 50805 4 72 . DC . 50805 4 73 . DA . 50805 4 74 . DG . 50805 4 75 . DC . 50805 4 76 . DG . 50805 4 77 . DC . 50805 4 78 . DG . 50805 4 79 . DT . 50805 4 80 . DA . 50805 4 81 . DC . 50805 4 82 . DG . 50805 4 83 . DT . 50805 4 84 . DG . 50805 4 85 . DC . 50805 4 86 . DG . 50805 4 87 . DT . 50805 4 88 . DT . 50805 4 89 . DT . 50805 4 90 . DA . 50805 4 91 . DA . 50805 4 92 . DG . 50805 4 93 . DC . 50805 4 94 . DG . 50805 4 95 . DG . 50805 4 96 . DT . 50805 4 97 . DG . 50805 4 98 . DC . 50805 4 99 . DT . 50805 4 100 . DA . 50805 4 101 . DG . 50805 4 102 . DA . 50805 4 103 . DG . 50805 4 104 . DC . 50805 4 105 . DT . 50805 4 106 . DG . 50805 4 107 . DT . 50805 4 108 . DC . 50805 4 109 . DT . 50805 4 110 . DA . 50805 4 111 . DC . 50805 4 112 . DG . 50805 4 113 . DA . 50805 4 114 . DC . 50805 4 115 . DC . 50805 4 116 . DA . 50805 4 117 . DA . 50805 4 118 . DT . 50805 4 119 . DT . 50805 4 120 . DG . 50805 4 121 . DA . 50805 4 122 . DG . 50805 4 123 . DC . 50805 4 124 . DG . 50805 4 125 . DG . 50805 4 126 . DC . 50805 4 127 . DC . 50805 4 128 . DT . 50805 4 129 . DC . 50805 4 130 . DG . 50805 4 131 . DG . 50805 4 132 . DC . 50805 4 133 . DA . 50805 4 134 . DC . 50805 4 135 . DC . 50805 4 136 . DG . 50805 4 137 . DG . 50805 4 138 . DG . 50805 4 139 . DA . 50805 4 140 . DT . 50805 4 141 . DT . 50805 4 142 . DC . 50805 4 143 . DT . 50805 4 144 . DC . 50805 4 145 . DG . 50805 4 146 . DA . 50805 4 147 . DT . 50805 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 50805 4 . DT 2 2 50805 4 . DC 3 3 50805 4 . DG 4 4 50805 4 . DG 5 5 50805 4 . DA 6 6 50805 4 . DT 7 7 50805 4 . DG 8 8 50805 4 . DT 9 9 50805 4 . DA 10 10 50805 4 . DT 11 11 50805 4 . DA 12 12 50805 4 . DT 13 13 50805 4 . DA 14 14 50805 4 . DT 15 15 50805 4 . DC 16 16 50805 4 . DT 17 17 50805 4 . DG 18 18 50805 4 . DA 19 19 50805 4 . DC 20 20 50805 4 . DA 21 21 50805 4 . DC 22 22 50805 4 . DG 23 23 50805 4 . DT 24 24 50805 4 . DG 25 25 50805 4 . DC 26 26 50805 4 . DC 27 27 50805 4 . DT 28 28 50805 4 . DG 29 29 50805 4 . DG 30 30 50805 4 . DA 31 31 50805 4 . DG 32 32 50805 4 . DA 33 33 50805 4 . DC 34 34 50805 4 . DT 35 35 50805 4 . DA 36 36 50805 4 . DG 37 37 50805 4 . DG 38 38 50805 4 . DG 39 39 50805 4 . DA 40 40 50805 4 . DG 41 41 50805 4 . DT 42 42 50805 4 . DA 43 43 50805 4 . DA 44 44 50805 4 . DT 45 45 50805 4 . DC 46 46 50805 4 . DC 47 47 50805 4 . DC 48 48 50805 4 . DC 49 49 50805 4 . DT 50 50 50805 4 . DT 51 51 50805 4 . DG 52 52 50805 4 . DG 53 53 50805 4 . DC 54 54 50805 4 . DG 55 55 50805 4 . DG 56 56 50805 4 . DT 57 57 50805 4 . DT 58 58 50805 4 . DA 59 59 50805 4 . DA 60 60 50805 4 . DA 61 61 50805 4 . DA 62 62 50805 4 . DC 63 63 50805 4 . DG 64 64 50805 4 . DC 65 65 50805 4 . DG 66 66 50805 4 . DG 67 67 50805 4 . DG 68 68 50805 4 . DG 69 69 50805 4 . DG 70 70 50805 4 . DA 71 71 50805 4 . DC 72 72 50805 4 . DA 73 73 50805 4 . DG 74 74 50805 4 . DC 75 75 50805 4 . DG 76 76 50805 4 . DC 77 77 50805 4 . DG 78 78 50805 4 . DT 79 79 50805 4 . DA 80 80 50805 4 . DC 81 81 50805 4 . DG 82 82 50805 4 . DT 83 83 50805 4 . DG 84 84 50805 4 . DC 85 85 50805 4 . DG 86 86 50805 4 . DT 87 87 50805 4 . DT 88 88 50805 4 . DT 89 89 50805 4 . DA 90 90 50805 4 . DA 91 91 50805 4 . DG 92 92 50805 4 . DC 93 93 50805 4 . DG 94 94 50805 4 . DG 95 95 50805 4 . DT 96 96 50805 4 . DG 97 97 50805 4 . DC 98 98 50805 4 . DT 99 99 50805 4 . DA 100 100 50805 4 . DG 101 101 50805 4 . DA 102 102 50805 4 . DG 103 103 50805 4 . DC 104 104 50805 4 . DT 105 105 50805 4 . DG 106 106 50805 4 . DT 107 107 50805 4 . DC 108 108 50805 4 . DT 109 109 50805 4 . DA 110 110 50805 4 . DC 111 111 50805 4 . DG 112 112 50805 4 . DA 113 113 50805 4 . DC 114 114 50805 4 . DC 115 115 50805 4 . DA 116 116 50805 4 . DA 117 117 50805 4 . DT 118 118 50805 4 . DT 119 119 50805 4 . DG 120 120 50805 4 . DA 121 121 50805 4 . DG 122 122 50805 4 . DC 123 123 50805 4 . DG 124 124 50805 4 . DG 125 125 50805 4 . DC 126 126 50805 4 . DC 127 127 50805 4 . DT 128 128 50805 4 . DC 129 129 50805 4 . DG 130 130 50805 4 . DG 131 131 50805 4 . DC 132 132 50805 4 . DA 133 133 50805 4 . DC 134 134 50805 4 . DC 135 135 50805 4 . DG 136 136 50805 4 . DG 137 137 50805 4 . DG 138 138 50805 4 . DA 139 139 50805 4 . DT 140 140 50805 4 . DT 141 141 50805 4 . DC 142 142 50805 4 . DT 143 143 50805 4 . DC 144 144 50805 4 . DG 145 145 50805 4 . DA 146 146 50805 4 . DT 147 147 50805 4 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 50805 _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 . . . . . . . . . . . . . 50805 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50805 1 3 3 $entity_3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50805 1 4 4 $entity_4 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50805 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 50805 _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 . . . 50805 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET3a . . . 50805 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ201 . . . 50805 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ201 . . . 50805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50805 _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 '93% H2O/7% 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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 130 . . uM . . . . 50805 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 130 . . uM . . . . 50805 1 3 entity_3 'natural abundance' . . 3 $entity_3 . . 130 . . uM . . . . 50805 1 4 entity_4 'natural abundance' . . 4 $entity_4 . . 130 . . uM . . . . 50805 1 5 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 50805 1 6 NaOH 'natural abundance' . . . . . . 7 . . mM . . . . 50805 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50805 1 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50805 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 50805 _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 50805 1 temperature 310 . K 50805 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50805 _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 . 50805 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50805 _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 . 50805 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50805 _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' . 50805 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 50805 _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 50805 _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 . . . . . . . . . . . . . . . . . 50805 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50805 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50805 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 50805 _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 4.657 internal indirect 0.251449530 . . . . . 50805 1 H 1 water protons . . . . ppm 4.657 internal direct 1 . . . . . 50805 1 N 15 water protons . . . . ppm 4.657 internal indirect 0.101329118 . . . . . 50805 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 50805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H3 tetrasome' _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' . . . 50805 1 2 '3D HNCACB' . . . 50805 1 3 '3D CBCA(CO)NH' . . . 50805 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 . . 50805 1 2 $software_2 . . 50805 1 3 $software_3 . . 50805 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 56.44016 0.08289 . 1 . . . . . 2 R CA . 50805 1 2 . 1 . 1 2 2 ARG CB C 13 30.98784 0.00419 . 1 . . . . . 2 R CB . 50805 1 3 . 1 . 1 3 3 THR H H 1 8.34685 0.00195 . 1 . . . . . 3 T HN . 50805 1 4 . 1 . 1 3 3 THR CA C 13 62.05619 0.08196 . 1 . . . . . 3 T CA . 50805 1 5 . 1 . 1 3 3 THR CB C 13 70.11773 0.00348 . 1 . . . . . 3 T CB . 50805 1 6 . 1 . 1 3 3 THR N N 15 116.48244 0.00914 . 1 . . . . . 3 T N . 50805 1 7 . 1 . 1 4 4 LYS H H 1 8.48074 9.83E-04 . 1 . . . . . 4 K HN . 50805 1 8 . 1 . 1 4 4 LYS CA C 13 56.54619 0.05681 . 1 . . . . . 4 K CA . 50805 1 9 . 1 . 1 4 4 LYS CB C 13 33.2666 0.01849 . 1 . . . . . 4 K CB . 50805 1 10 . 1 . 1 4 4 LYS N N 15 124.08532 0.02388 . 1 . . . . . 4 K N . 50805 1 11 . 1 . 1 5 5 GLN H H 1 8.60315 9.15E-04 . 1 . . . . . 5 Q HN . 50805 1 12 . 1 . 1 5 5 GLN CA C 13 56.10097 0.05992 . 1 . . . . . 5 Q CA . 50805 1 13 . 1 . 1 5 5 GLN CB C 13 29.58764 0.02261 . 1 . . . . . 5 Q CB . 50805 1 14 . 1 . 1 5 5 GLN N N 15 122.19596 0.00608 . 1 . . . . . 5 Q N . 50805 1 15 . 1 . 1 6 6 THR H H 1 8.15808 9.02E-04 . 1 . . . . . 6 T HN . 50805 1 16 . 1 . 1 6 6 THR CA C 13 62.08765 0.08291 . 1 . . . . . 6 T CA . 50805 1 17 . 1 . 1 6 6 THR CB C 13 69.91592 0.01352 . 1 . . . . . 6 T CB . 50805 1 18 . 1 . 1 6 6 THR N N 15 115.42353 0.00284 . 1 . . . . . 6 T N . 50805 1 19 . 1 . 1 7 7 ALA H H 1 8.33971 6.54E-04 . 1 . . . . . 7 A HN . 50805 1 20 . 1 . 1 7 7 ALA CA C 13 52.5427 0.02825 . 1 . . . . . 7 A CA . 50805 1 21 . 1 . 1 7 7 ALA CB C 13 19.42465 0.0194 . 1 . . . . . 7 A CB . 50805 1 22 . 1 . 1 7 7 ALA N N 15 126.472 0.00576 . 1 . . . . . 7 A N . 50805 1 23 . 1 . 1 8 8 ARG H H 1 8.32236 3.13E-04 . 5 . . . . . 8 R HN . 50805 1 24 . 1 . 1 8 8 ARG CA C 13 56.22141 0.03243 . 5 . . . . . 8 R CA . 50805 1 25 . 1 . 1 8 8 ARG CB C 13 30.98781 0.01613 . 5 . . . . . 8 R CB . 50805 1 26 . 1 . 1 8 8 ARG N N 15 120.73563 0.00839 . 5 . . . . . 8 R N . 50805 1 27 . 1 . 1 9 9 LYS H H 1 8.45952 0.00164 . 5 . . . . . 9 K HN . 50805 1 28 . 1 . 1 9 9 LYS CA C 13 56.5237 0.07809 . 5 . . . . . 9 K CA . 50805 1 29 . 1 . 1 9 9 LYS CB C 13 33.27277 0.01903 . 5 . . . . . 9 K CB . 50805 1 30 . 1 . 1 9 9 LYS N N 15 122.8796 0.00663 . 5 . . . . . 9 K N . 50805 1 31 . 1 . 1 10 10 SER H H 1 8.41672 6.80E-04 . 1 . . . . . 10 S HN . 50805 1 32 . 1 . 1 10 10 SER CA C 13 58.33476 0.09567 . 1 . . . . . 10 S CA . 50805 1 33 . 1 . 1 10 10 SER CB C 13 63.92577 0.02319 . 1 . . . . . 10 S CB . 50805 1 34 . 1 . 1 10 10 SER N N 15 117.07954 0.00954 . 1 . . . . . 10 S N . 50805 1 35 . 1 . 1 11 11 THR H H 1 8.25373 8.12E-04 . 1 . . . . . 11 T HN . 50805 1 36 . 1 . 1 11 11 THR CA C 13 62.00268 0.07616 . 1 . . . . . 11 T CA . 50805 1 37 . 1 . 1 11 11 THR CB C 13 69.89066 0.01005 . 1 . . . . . 11 T CB . 50805 1 38 . 1 . 1 11 11 THR N N 15 115.28354 0.00622 . 1 . . . . . 11 T N . 50805 1 39 . 1 . 1 12 12 GLY H H 1 8.43567 0.00243 . 5 . . . . . 12 G HN . 50805 1 40 . 1 . 1 12 12 GLY CA C 13 45.5256 0.01568 . 5 . . . . . 12 G CA . 50805 1 41 . 1 . 1 12 12 GLY N N 15 110.91013 0.00279 . 5 . . . . . 12 G N . 50805 1 42 . 1 . 1 13 13 GLY H H 1 8.29657 1.26E-04 . 9 . . . . . 13 G HN . 50805 1 43 . 1 . 1 13 13 GLY CA C 13 45.29143 0.04275 . 9 . . . . . 13 G CA . 50805 1 44 . 1 . 1 13 13 GLY N N 15 108.79694 0 . 9 . . . . . 13 G N . 50805 1 45 . 1 . 1 14 14 LYS H H 1 8.18879 1.73E-04 . 1 . . . . . 14 K HN . 50805 1 46 . 1 . 1 14 14 LYS CA C 13 56.01362 0.01252 . 1 . . . . . 14 K CA . 50805 1 47 . 1 . 1 14 14 LYS CB C 13 33.40674 0.03774 . 1 . . . . . 14 K CB . 50805 1 48 . 1 . 1 14 14 LYS N N 15 120.81748 0.0034 . 1 . . . . . 14 K N . 50805 1 49 . 1 . 1 15 15 ALA H H 1 8.40237 0.00121 . 1 . . . . . 15 A HN . 50805 1 50 . 1 . 1 15 15 ALA CA C 13 50.61955 0 . 1 . . . . . 15 A CA . 50805 1 51 . 1 . 1 15 15 ALA CB C 13 18.31933 0 . 1 . . . . . 15 A CB . 50805 1 52 . 1 . 1 15 15 ALA N N 15 126.8853 0.00814 . 1 . . . . . 15 A N . 50805 1 53 . 1 . 1 16 16 PRO CA C 13 63.02873 0.01247 . 1 . . . . . 16 P CA . 50805 1 54 . 1 . 1 16 16 PRO CB C 13 32.14671 0.04798 . 1 . . . . . 16 P CB . 50805 1 55 . 1 . 1 17 17 ARG H H 1 8.46176 6.75E-04 . 1 . . . . . 17 R HN . 50805 1 56 . 1 . 1 17 17 ARG CA C 13 56.36946 0.02558 . 1 . . . . . 17 R CA . 50805 1 57 . 1 . 1 17 17 ARG CB C 13 30.95497 0.0173 . 1 . . . . . 17 R CB . 50805 1 58 . 1 . 1 17 17 ARG N N 15 121.57586 0.00656 . 1 . . . . . 17 R N . 50805 1 59 . 1 . 1 18 18 LYS H H 1 8.42374 9.41E-04 . 5 . . . . . 18 K HN . 50805 1 60 . 1 . 1 18 18 LYS CA C 13 56.59588 0.02983 . 5 . . . . . 18 K CA . 50805 1 61 . 1 . 1 18 18 LYS CB C 13 33.20082 0.01663 . 5 . . . . . 18 K CB . 50805 1 62 . 1 . 1 18 18 LYS N N 15 122.53109 0.00721 . 5 . . . . . 18 K N . 50805 1 63 . 1 . 1 19 19 GLN H H 1 8.39582 0.00124 . 1 . . . . . 19 Q HN . 50805 1 64 . 1 . 1 19 19 GLN CA C 13 55.9364 0.03939 . 1 . . . . . 19 Q CA . 50805 1 65 . 1 . 1 19 19 GLN CB C 13 29.60316 0.04381 . 1 . . . . . 19 Q CB . 50805 1 66 . 1 . 1 19 19 GLN N N 15 121.57602 0.00604 . 1 . . . . . 19 Q N . 50805 1 67 . 1 . 1 20 20 LEU H H 1 8.2934 0.00117 . 1 . . . . . 20 L HN . 50805 1 68 . 1 . 1 20 20 LEU CA C 13 55.33332 0.08035 . 1 . . . . . 20 L CA . 50805 1 69 . 1 . 1 20 20 LEU CB C 13 42.62343 0.03296 . 1 . . . . . 20 L CB . 50805 1 70 . 1 . 1 20 20 LEU N N 15 123.76889 0.00489 . 1 . . . . . 20 L N . 50805 1 71 . 1 . 1 21 21 ALA H H 1 8.35233 4.57E-04 . 1 . . . . . 21 A HN . 50805 1 72 . 1 . 1 21 21 ALA CA C 13 52.69478 0.017 . 1 . . . . . 21 A CA . 50805 1 73 . 1 . 1 21 21 ALA CB C 13 19.33652 0.01583 . 1 . . . . . 21 A CB . 50805 1 74 . 1 . 1 21 21 ALA N N 15 124.72729 0.00541 . 1 . . . . . 21 A N . 50805 1 75 . 1 . 1 22 22 THR H H 1 8.01021 3.83E-04 . 1 . . . . . 22 T HN . 50805 1 76 . 1 . 1 22 22 THR CA C 13 62.07272 0.10056 . 1 . . . . . 22 T CA . 50805 1 77 . 1 . 1 22 22 THR CB C 13 69.94889 0.03428 . 1 . . . . . 22 T CB . 50805 1 78 . 1 . 1 22 22 THR N N 15 113.12627 0.00349 . 1 . . . . . 22 T N . 50805 1 79 . 1 . 1 23 23 LYS H H 1 8.31132 8.63E-04 . 1 . . . . . 23 K HN . 50805 1 80 . 1 . 1 23 23 LYS CA C 13 56.76202 0.03981 . 1 . . . . . 23 K CA . 50805 1 81 . 1 . 1 23 23 LYS CB C 13 33.07425 0.01905 . 1 . . . . . 23 K CB . 50805 1 82 . 1 . 1 23 23 LYS N N 15 123.56149 0.02179 . 1 . . . . . 23 K N . 50805 1 83 . 1 . 1 24 24 ALA H H 1 8.28819 3.51E-04 . 1 . . . . . 24 A HN . 50805 1 84 . 1 . 1 24 24 ALA CA C 13 52.64175 0.03076 . 1 . . . . . 24 A CA . 50805 1 85 . 1 . 1 24 24 ALA CB C 13 19.34195 0.01649 . 1 . . . . . 24 A CB . 50805 1 86 . 1 . 1 24 24 ALA N N 15 124.9181 0.01299 . 1 . . . . . 24 A N . 50805 1 87 . 1 . 1 25 25 ALA H H 1 8.17983 3.11E-04 . 1 . . . . . 25 A HN . 50805 1 88 . 1 . 1 25 25 ALA CA C 13 52.58621 0.04669 . 1 . . . . . 25 A CA . 50805 1 89 . 1 . 1 25 25 ALA CB C 13 19.32658 0.01508 . 1 . . . . . 25 A CB . 50805 1 90 . 1 . 1 25 25 ALA N N 15 123.22048 0.00334 . 1 . . . . . 25 A N . 50805 1 91 . 1 . 1 26 26 ARG H H 1 8.25311 0.00105 . 5 . . . . . 26 R HN . 50805 1 92 . 1 . 1 26 26 ARG CA C 13 56.33953 0.0392 . 5 . . . . . 26 R CA . 50805 1 93 . 1 . 1 26 26 ARG CB C 13 30.96777 0.04066 . 5 . . . . . 26 R CB . 50805 1 94 . 1 . 1 26 26 ARG N N 15 120.23621 0.00392 . 5 . . . . . 26 R N . 50805 1 95 . 1 . 1 27 27 LYS H H 1 8.371 0.00175 . 5 . . . . . 27 K HN . 50805 1 96 . 1 . 1 27 27 LYS CA C 13 56.59249 0.11457 . 5 . . . . . 27 K CA . 50805 1 97 . 1 . 1 27 27 LYS CB C 13 33.19717 0.01398 . 5 . . . . . 27 K CB . 50805 1 98 . 1 . 1 27 27 LYS N N 15 122.38665 0.01208 . 5 . . . . . 27 K N . 50805 1 99 . 1 . 1 28 28 SER H H 1 8.238 0.00145 . 1 . . . . . 28 S HN . 50805 1 100 . 1 . 1 28 28 SER CA C 13 58.20679 0.05151 . 1 . . . . . 28 S CA . 50805 1 101 . 1 . 1 28 28 SER CB C 13 64.13233 0.00737 . 1 . . . . . 28 S CB . 50805 1 102 . 1 . 1 28 28 SER N N 15 116.81295 0.00685 . 1 . . . . . 28 S N . 50805 1 103 . 1 . 1 29 29 ALA H H 1 8.27135 5.05E-04 . 1 . . . . . 29 A HN . 50805 1 104 . 1 . 1 29 29 ALA CA C 13 50.68209 0 . 1 . . . . . 29 A CA . 50805 1 105 . 1 . 1 29 29 ALA CB C 13 18.44742 0 . 1 . . . . . 29 A CB . 50805 1 106 . 1 . 1 29 29 ALA N N 15 126.90348 0.00528 . 1 . . . . . 29 A N . 50805 1 107 . 1 . 1 30 30 PRO CA C 13 63.16882 0.00759 . 1 . . . . . 30 P CA . 50805 1 108 . 1 . 1 30 30 PRO CB C 13 32.15065 0.03931 . 1 . . . . . 30 P CB . 50805 1 109 . 1 . 1 31 31 ALA H H 1 8.47234 0.00103 . 1 . . . . . 31 A HN . 50805 1 110 . 1 . 1 31 31 ALA CA C 13 52.68721 0.01276 . 1 . . . . . 31 A CA . 50805 1 111 . 1 . 1 31 31 ALA CB C 13 19.20034 0.03184 . 1 . . . . . 31 A CB . 50805 1 112 . 1 . 1 31 31 ALA N N 15 124.4092 0.00568 . 1 . . . . . 31 A N . 50805 1 113 . 1 . 1 32 32 THR H H 1 8.0858 1.73E-04 . 1 . . . . . 32 T HN . 50805 1 114 . 1 . 1 32 32 THR CA C 13 61.89923 0.04745 . 1 . . . . . 32 T CA . 50805 1 115 . 1 . 1 32 32 THR CB C 13 69.97217 0.01938 . 1 . . . . . 32 T CB . 50805 1 116 . 1 . 1 32 32 THR N N 15 112.40905 0.00185 . 1 . . . . . 32 T N . 50805 1 117 . 1 . 1 33 33 GLY H H 1 8.39704 0.00207 . 5 . . . . . 33 G HN . 50805 1 118 . 1 . 1 33 33 GLY CA C 13 45.52309 0.00997 . 5 . . . . . 33 G CA . 50805 1 119 . 1 . 1 33 33 GLY N N 15 110.88766 0.00477 . 5 . . . . . 33 G N . 50805 1 120 . 1 . 1 34 34 GLY H H 1 8.28783 2.32E-04 . 9 . . . . . 34 G HN . 50805 1 121 . 1 . 1 34 34 GLY CA C 13 45.28508 0.0478 . 9 . . . . . 34 G CA . 50805 1 122 . 1 . 1 34 34 GLY N N 15 108.79698 7.53E-05 . 9 . . . . . 34 G N . 50805 1 123 . 1 . 1 35 35 VAL H H 1 7.98625 6.02E-04 . 1 . . . . . 35 V HN . 50805 1 124 . 1 . 1 35 35 VAL CA C 13 62.33619 0.06361 . 1 . . . . . 35 V CA . 50805 1 125 . 1 . 1 35 35 VAL CB C 13 32.88505 0.02748 . 1 . . . . . 35 V CB . 50805 1 126 . 1 . 1 35 35 VAL N N 15 119.29715 0.00349 . 1 . . . . . 35 V N . 50805 1 127 . 1 . 1 36 36 LYS H H 1 8.40686 4.51E-04 . 1 . . . . . 36 K HN . 50805 1 128 . 1 . 1 36 36 LYS CA C 13 56.10288 0.04188 . 1 . . . . . 36 K CA . 50805 1 129 . 1 . 1 36 36 LYS CB C 13 33.08287 0.03748 . 1 . . . . . 36 K CB . 50805 1 130 . 1 . 1 36 36 LYS N N 15 125.62444 0.00436 . 1 . . . . . 36 K N . 50805 1 131 . 1 . 1 37 37 LYS H H 1 8.39508 0.00206 . 1 . . . . . 37 K HN . 50805 1 132 . 1 . 1 37 37 LYS CA C 13 54.40164 0 . 1 . . . . . 37 K CA . 50805 1 133 . 1 . 1 37 37 LYS CB C 13 32.83881 0 . 1 . . . . . 37 K CB . 50805 1 134 . 1 . 1 37 37 LYS N N 15 124.13886 0.02779 . 1 . . . . . 37 K N . 50805 1 stop_ save_