data_51777 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51777 _Entry.Title ; CTADN-H2AH2B complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-09 _Entry.Accession_date 2023-01-09 _Entry.Last_release_date 2023-01-10 _Entry.Original_release_date 2023-01-10 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hideaki Ohtomo . . . . 51777 2 Junichi Kurita . . . 0000-0002-7369-3130 51777 3 Yoshifumi Nishimura . . . . 51777 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Project laboratory' . 51777 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51777 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 17 51777 '1H chemical shifts' 17 51777 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-07-07 2023-01-09 update BMRB 'update entry citation' 51777 1 . . 2023-06-30 2023-01-09 original author 'original release' 51777 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51771 'CTADC region of NAP1' 51777 BMRB 51772 'CTADN region of NAP1' 51777 BMRB 51773 'CTADC-H2AH2B complex' 51777 BMRB 51774 H2AH2B 51777 BMRB 51775 'R77EH2B hetero dimer' 51777 BMRB 51776 'CTADN-R77EH2B complex' 51777 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51777 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37380014 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamic solution structures of whole human NAP1 dimer bound to one and two histone H2A-H2B heterodimers obtained by integrative methods ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 435 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 168189 _Citation.Page_last 168189 _Citation.Year 2023 _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 Hideaki Ohtomo . . . . 51777 1 2 Tsutomu Yamane . . . . 51777 1 3 Takashi Oda . . . . 51777 1 4 Noriyuki Kodera . . . . 51777 1 5 Junichi Kurita . . . . 51777 1 6 Yasuo Tsunaka . . . . 51777 1 7 Romain Amyot . . . . 51777 1 8 Mutsunori Ikeguchi . . . . 51777 1 9 Yoshifumi Nishimura . . . . 51777 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51777 _Assembly.ID 1 _Assembly.Name 'CTADN-H2AH2B complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CTADN 1 $entity_1 . . yes native no no . . . 51777 1 2 H2A 2 $entity_2 . . yes native no no . . . 51777 1 3 H2B 3 $entity_3 . . yes native no no . . . 51777 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51777 _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 ; LGSGEAIEDDDDDYDEEGEE ADEEG ; _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 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1 341 LEU . 51777 1 2 342 GLY . 51777 1 3 343 SER . 51777 1 4 344 GLY . 51777 1 5 345 GLU . 51777 1 6 346 ALA . 51777 1 7 347 ILE . 51777 1 8 348 GLU . 51777 1 9 349 ASP . 51777 1 10 350 ASP . 51777 1 11 351 ASP . 51777 1 12 352 ASP . 51777 1 13 353 ASP . 51777 1 14 354 TYR . 51777 1 15 355 ASP . 51777 1 16 356 GLU . 51777 1 17 357 GLU . 51777 1 18 358 GLY . 51777 1 19 359 GLU . 51777 1 20 360 GLU . 51777 1 21 361 ALA . 51777 1 22 362 ASP . 51777 1 23 363 GLU . 51777 1 24 364 GLU . 51777 1 25 365 GLY . 51777 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 . LEU 1 1 51777 1 . GLY 2 2 51777 1 . SER 3 3 51777 1 . GLY 4 4 51777 1 . GLU 5 5 51777 1 . ALA 6 6 51777 1 . ILE 7 7 51777 1 . GLU 8 8 51777 1 . ASP 9 9 51777 1 . ASP 10 10 51777 1 . ASP 11 11 51777 1 . ASP 12 12 51777 1 . ASP 13 13 51777 1 . TYR 14 14 51777 1 . ASP 15 15 51777 1 . GLU 16 16 51777 1 . GLU 17 17 51777 1 . GLY 18 18 51777 1 . GLU 19 19 51777 1 . GLU 20 20 51777 1 . ALA 21 21 51777 1 . ASP 22 22 51777 1 . GLU 23 23 51777 1 . GLU 24 24 51777 1 . GLY 25 25 51777 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51777 _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 ; AGPGMSGRGKQGGKARAKAK TRSSRAGLQFPVGRVHRLLR KGNYSERVGAGAPVYLAAVL EYLTAEILELAGNAARDNKK TRIIPRHLQLAIRNDEELNK LLGRVTIAQGGVLPNIQAVL LPKKTESHHKAKGK ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 -4 ALA . 51777 2 2 -3 GLY . 51777 2 3 -2 PRO . 51777 2 4 -1 GLY . 51777 2 5 0 MET . 51777 2 6 1 SER . 51777 2 7 2 GLY . 51777 2 8 3 ARG . 51777 2 9 4 GLY . 51777 2 10 5 LYS . 51777 2 11 6 GLN . 51777 2 12 7 GLY . 51777 2 13 8 GLY . 51777 2 14 9 LYS . 51777 2 15 10 ALA . 51777 2 16 11 ARG . 51777 2 17 12 ALA . 51777 2 18 13 LYS . 51777 2 19 14 ALA . 51777 2 20 15 LYS . 51777 2 21 16 THR . 51777 2 22 17 ARG . 51777 2 23 18 SER . 51777 2 24 19 SER . 51777 2 25 20 ARG . 51777 2 26 21 ALA . 51777 2 27 22 GLY . 51777 2 28 23 LEU . 51777 2 29 24 GLN . 51777 2 30 25 PHE . 51777 2 31 26 PRO . 51777 2 32 27 VAL . 51777 2 33 28 GLY . 51777 2 34 29 ARG . 51777 2 35 30 VAL . 51777 2 36 31 HIS . 51777 2 37 32 ARG . 51777 2 38 33 LEU . 51777 2 39 34 LEU . 51777 2 40 35 ARG . 51777 2 41 36 LYS . 51777 2 42 37 GLY . 51777 2 43 38 ASN . 51777 2 44 39 TYR . 51777 2 45 40 SER . 51777 2 46 41 GLU . 51777 2 47 42 ARG . 51777 2 48 43 VAL . 51777 2 49 44 GLY . 51777 2 50 45 ALA . 51777 2 51 46 GLY . 51777 2 52 47 ALA . 51777 2 53 48 PRO . 51777 2 54 49 VAL . 51777 2 55 50 TYR . 51777 2 56 51 LEU . 51777 2 57 52 ALA . 51777 2 58 53 ALA . 51777 2 59 54 VAL . 51777 2 60 55 LEU . 51777 2 61 56 GLU . 51777 2 62 57 TYR . 51777 2 63 58 LEU . 51777 2 64 59 THR . 51777 2 65 60 ALA . 51777 2 66 61 GLU . 51777 2 67 62 ILE . 51777 2 68 63 LEU . 51777 2 69 64 GLU . 51777 2 70 65 LEU . 51777 2 71 66 ALA . 51777 2 72 67 GLY . 51777 2 73 68 ASN . 51777 2 74 69 ALA . 51777 2 75 70 ALA . 51777 2 76 71 ARG . 51777 2 77 72 ASP . 51777 2 78 73 ASN . 51777 2 79 74 LYS . 51777 2 80 75 LYS . 51777 2 81 76 THR . 51777 2 82 77 ARG . 51777 2 83 78 ILE . 51777 2 84 79 ILE . 51777 2 85 80 PRO . 51777 2 86 81 ARG . 51777 2 87 82 HIS . 51777 2 88 83 LEU . 51777 2 89 84 GLN . 51777 2 90 85 LEU . 51777 2 91 86 ALA . 51777 2 92 87 ILE . 51777 2 93 88 ARG . 51777 2 94 89 ASN . 51777 2 95 90 ASP . 51777 2 96 91 GLU . 51777 2 97 92 GLU . 51777 2 98 93 LEU . 51777 2 99 94 ASN . 51777 2 100 95 LYS . 51777 2 101 96 LEU . 51777 2 102 97 LEU . 51777 2 103 98 GLY . 51777 2 104 99 ARG . 51777 2 105 100 VAL . 51777 2 106 101 THR . 51777 2 107 102 ILE . 51777 2 108 103 ALA . 51777 2 109 104 GLN . 51777 2 110 105 GLY . 51777 2 111 106 GLY . 51777 2 112 107 VAL . 51777 2 113 108 LEU . 51777 2 114 109 PRO . 51777 2 115 110 ASN . 51777 2 116 111 ILE . 51777 2 117 112 GLN . 51777 2 118 113 ALA . 51777 2 119 114 VAL . 51777 2 120 115 LEU . 51777 2 121 116 LEU . 51777 2 122 117 PRO . 51777 2 123 118 LYS . 51777 2 124 119 LYS . 51777 2 125 120 THR . 51777 2 126 121 GLU . 51777 2 127 122 SER . 51777 2 128 123 HIS . 51777 2 129 124 HIS . 51777 2 130 125 LYS . 51777 2 131 126 ALA . 51777 2 132 127 LYS . 51777 2 133 128 GLY . 51777 2 134 129 LYS . 51777 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 . ALA 1 1 51777 2 . GLY 2 2 51777 2 . PRO 3 3 51777 2 . GLY 4 4 51777 2 . MET 5 5 51777 2 . SER 6 6 51777 2 . GLY 7 7 51777 2 . ARG 8 8 51777 2 . GLY 9 9 51777 2 . LYS 10 10 51777 2 . GLN 11 11 51777 2 . GLY 12 12 51777 2 . GLY 13 13 51777 2 . LYS 14 14 51777 2 . ALA 15 15 51777 2 . ARG 16 16 51777 2 . ALA 17 17 51777 2 . LYS 18 18 51777 2 . ALA 19 19 51777 2 . LYS 20 20 51777 2 . THR 21 21 51777 2 . ARG 22 22 51777 2 . SER 23 23 51777 2 . SER 24 24 51777 2 . ARG 25 25 51777 2 . ALA 26 26 51777 2 . GLY 27 27 51777 2 . LEU 28 28 51777 2 . GLN 29 29 51777 2 . PHE 30 30 51777 2 . PRO 31 31 51777 2 . VAL 32 32 51777 2 . GLY 33 33 51777 2 . ARG 34 34 51777 2 . VAL 35 35 51777 2 . HIS 36 36 51777 2 . ARG 37 37 51777 2 . LEU 38 38 51777 2 . LEU 39 39 51777 2 . ARG 40 40 51777 2 . LYS 41 41 51777 2 . GLY 42 42 51777 2 . ASN 43 43 51777 2 . TYR 44 44 51777 2 . SER 45 45 51777 2 . GLU 46 46 51777 2 . ARG 47 47 51777 2 . VAL 48 48 51777 2 . GLY 49 49 51777 2 . ALA 50 50 51777 2 . GLY 51 51 51777 2 . ALA 52 52 51777 2 . PRO 53 53 51777 2 . VAL 54 54 51777 2 . TYR 55 55 51777 2 . LEU 56 56 51777 2 . ALA 57 57 51777 2 . ALA 58 58 51777 2 . VAL 59 59 51777 2 . LEU 60 60 51777 2 . GLU 61 61 51777 2 . TYR 62 62 51777 2 . LEU 63 63 51777 2 . THR 64 64 51777 2 . ALA 65 65 51777 2 . GLU 66 66 51777 2 . ILE 67 67 51777 2 . LEU 68 68 51777 2 . GLU 69 69 51777 2 . LEU 70 70 51777 2 . ALA 71 71 51777 2 . GLY 72 72 51777 2 . ASN 73 73 51777 2 . ALA 74 74 51777 2 . ALA 75 75 51777 2 . ARG 76 76 51777 2 . ASP 77 77 51777 2 . ASN 78 78 51777 2 . LYS 79 79 51777 2 . LYS 80 80 51777 2 . THR 81 81 51777 2 . ARG 82 82 51777 2 . ILE 83 83 51777 2 . ILE 84 84 51777 2 . PRO 85 85 51777 2 . ARG 86 86 51777 2 . HIS 87 87 51777 2 . LEU 88 88 51777 2 . GLN 89 89 51777 2 . LEU 90 90 51777 2 . ALA 91 91 51777 2 . ILE 92 92 51777 2 . ARG 93 93 51777 2 . ASN 94 94 51777 2 . ASP 95 95 51777 2 . GLU 96 96 51777 2 . GLU 97 97 51777 2 . LEU 98 98 51777 2 . ASN 99 99 51777 2 . LYS 100 100 51777 2 . LEU 101 101 51777 2 . LEU 102 102 51777 2 . GLY 103 103 51777 2 . ARG 104 104 51777 2 . VAL 105 105 51777 2 . THR 106 106 51777 2 . ILE 107 107 51777 2 . ALA 108 108 51777 2 . GLN 109 109 51777 2 . GLY 110 110 51777 2 . GLY 111 111 51777 2 . VAL 112 112 51777 2 . LEU 113 113 51777 2 . PRO 114 114 51777 2 . ASN 115 115 51777 2 . ILE 116 116 51777 2 . GLN 117 117 51777 2 . ALA 118 118 51777 2 . VAL 119 119 51777 2 . LEU 120 120 51777 2 . LEU 121 121 51777 2 . PRO 122 122 51777 2 . LYS 123 123 51777 2 . LYS 124 124 51777 2 . THR 125 125 51777 2 . GLU 126 126 51777 2 . SER 127 127 51777 2 . HIS 128 128 51777 2 . HIS 129 129 51777 2 . LYS 130 130 51777 2 . ALA 131 131 51777 2 . LYS 132 132 51777 2 . GLY 133 133 51777 2 . LYS 134 134 51777 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51777 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGPGMPEPAKSAPAPKKGSK KAVTKAQKKDGKKRKRSRKE SYSIYVYKVLKQVHPDTGIS SKAMGIMNSFVNDIFERIAG EASRLAHYNKRSTITSREIQ TAVRLLLPGELAKHAVSEGT KAVTKYTSAK ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 -4 ALA . 51777 3 2 -3 GLY . 51777 3 3 -2 PRO . 51777 3 4 -1 GLY . 51777 3 5 0 MET . 51777 3 6 1 PRO . 51777 3 7 2 GLU . 51777 3 8 3 PRO . 51777 3 9 4 ALA . 51777 3 10 5 LYS . 51777 3 11 6 SER . 51777 3 12 7 ALA . 51777 3 13 8 PRO . 51777 3 14 9 ALA . 51777 3 15 10 PRO . 51777 3 16 11 LYS . 51777 3 17 12 LYS . 51777 3 18 13 GLY . 51777 3 19 14 SER . 51777 3 20 15 LYS . 51777 3 21 16 LYS . 51777 3 22 17 ALA . 51777 3 23 18 VAL . 51777 3 24 19 THR . 51777 3 25 20 LYS . 51777 3 26 21 ALA . 51777 3 27 22 GLN . 51777 3 28 23 LYS . 51777 3 29 24 LYS . 51777 3 30 25 ASP . 51777 3 31 26 GLY . 51777 3 32 27 LYS . 51777 3 33 28 LYS . 51777 3 34 29 ARG . 51777 3 35 30 LYS . 51777 3 36 31 ARG . 51777 3 37 32 SER . 51777 3 38 33 ARG . 51777 3 39 34 LYS . 51777 3 40 35 GLU . 51777 3 41 36 SER . 51777 3 42 37 TYR . 51777 3 43 38 SER . 51777 3 44 39 ILE . 51777 3 45 40 TYR . 51777 3 46 41 VAL . 51777 3 47 42 TYR . 51777 3 48 43 LYS . 51777 3 49 44 VAL . 51777 3 50 45 LEU . 51777 3 51 46 LYS . 51777 3 52 47 GLN . 51777 3 53 48 VAL . 51777 3 54 49 HIS . 51777 3 55 50 PRO . 51777 3 56 51 ASP . 51777 3 57 52 THR . 51777 3 58 53 GLY . 51777 3 59 54 ILE . 51777 3 60 55 SER . 51777 3 61 56 SER . 51777 3 62 57 LYS . 51777 3 63 58 ALA . 51777 3 64 59 MET . 51777 3 65 60 GLY . 51777 3 66 61 ILE . 51777 3 67 62 MET . 51777 3 68 63 ASN . 51777 3 69 64 SER . 51777 3 70 65 PHE . 51777 3 71 66 VAL . 51777 3 72 67 ASN . 51777 3 73 68 ASP . 51777 3 74 69 ILE . 51777 3 75 70 PHE . 51777 3 76 71 GLU . 51777 3 77 72 ARG . 51777 3 78 73 ILE . 51777 3 79 74 ALA . 51777 3 80 75 GLY . 51777 3 81 76 GLU . 51777 3 82 77 ALA . 51777 3 83 78 SER . 51777 3 84 79 ARG . 51777 3 85 80 LEU . 51777 3 86 81 ALA . 51777 3 87 82 HIS . 51777 3 88 83 TYR . 51777 3 89 84 ASN . 51777 3 90 85 LYS . 51777 3 91 86 ARG . 51777 3 92 87 SER . 51777 3 93 88 THR . 51777 3 94 89 ILE . 51777 3 95 90 THR . 51777 3 96 91 SER . 51777 3 97 92 ARG . 51777 3 98 93 GLU . 51777 3 99 94 ILE . 51777 3 100 95 GLN . 51777 3 101 96 THR . 51777 3 102 97 ALA . 51777 3 103 98 VAL . 51777 3 104 99 ARG . 51777 3 105 100 LEU . 51777 3 106 101 LEU . 51777 3 107 102 LEU . 51777 3 108 103 PRO . 51777 3 109 104 GLY . 51777 3 110 105 GLU . 51777 3 111 106 LEU . 51777 3 112 107 ALA . 51777 3 113 108 LYS . 51777 3 114 109 HIS . 51777 3 115 110 ALA . 51777 3 116 111 VAL . 51777 3 117 112 SER . 51777 3 118 113 GLU . 51777 3 119 114 GLY . 51777 3 120 115 THR . 51777 3 121 116 LYS . 51777 3 122 117 ALA . 51777 3 123 118 VAL . 51777 3 124 119 THR . 51777 3 125 120 LYS . 51777 3 126 121 TYR . 51777 3 127 122 THR . 51777 3 128 123 SER . 51777 3 129 124 ALA . 51777 3 130 125 LYS . 51777 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 51777 3 . GLY 2 2 51777 3 . PRO 3 3 51777 3 . GLY 4 4 51777 3 . MET 5 5 51777 3 . PRO 6 6 51777 3 . GLU 7 7 51777 3 . PRO 8 8 51777 3 . ALA 9 9 51777 3 . LYS 10 10 51777 3 . SER 11 11 51777 3 . ALA 12 12 51777 3 . PRO 13 13 51777 3 . ALA 14 14 51777 3 . PRO 15 15 51777 3 . LYS 16 16 51777 3 . LYS 17 17 51777 3 . GLY 18 18 51777 3 . SER 19 19 51777 3 . LYS 20 20 51777 3 . LYS 21 21 51777 3 . ALA 22 22 51777 3 . VAL 23 23 51777 3 . THR 24 24 51777 3 . LYS 25 25 51777 3 . ALA 26 26 51777 3 . GLN 27 27 51777 3 . LYS 28 28 51777 3 . LYS 29 29 51777 3 . ASP 30 30 51777 3 . GLY 31 31 51777 3 . LYS 32 32 51777 3 . LYS 33 33 51777 3 . ARG 34 34 51777 3 . LYS 35 35 51777 3 . ARG 36 36 51777 3 . SER 37 37 51777 3 . ARG 38 38 51777 3 . LYS 39 39 51777 3 . GLU 40 40 51777 3 . SER 41 41 51777 3 . TYR 42 42 51777 3 . SER 43 43 51777 3 . ILE 44 44 51777 3 . TYR 45 45 51777 3 . VAL 46 46 51777 3 . TYR 47 47 51777 3 . LYS 48 48 51777 3 . VAL 49 49 51777 3 . LEU 50 50 51777 3 . LYS 51 51 51777 3 . GLN 52 52 51777 3 . VAL 53 53 51777 3 . HIS 54 54 51777 3 . PRO 55 55 51777 3 . ASP 56 56 51777 3 . THR 57 57 51777 3 . GLY 58 58 51777 3 . ILE 59 59 51777 3 . SER 60 60 51777 3 . SER 61 61 51777 3 . LYS 62 62 51777 3 . ALA 63 63 51777 3 . MET 64 64 51777 3 . GLY 65 65 51777 3 . ILE 66 66 51777 3 . MET 67 67 51777 3 . ASN 68 68 51777 3 . SER 69 69 51777 3 . PHE 70 70 51777 3 . VAL 71 71 51777 3 . ASN 72 72 51777 3 . ASP 73 73 51777 3 . ILE 74 74 51777 3 . PHE 75 75 51777 3 . GLU 76 76 51777 3 . ARG 77 77 51777 3 . ILE 78 78 51777 3 . ALA 79 79 51777 3 . GLY 80 80 51777 3 . GLU 81 81 51777 3 . ALA 82 82 51777 3 . SER 83 83 51777 3 . ARG 84 84 51777 3 . LEU 85 85 51777 3 . ALA 86 86 51777 3 . HIS 87 87 51777 3 . TYR 88 88 51777 3 . ASN 89 89 51777 3 . LYS 90 90 51777 3 . ARG 91 91 51777 3 . SER 92 92 51777 3 . THR 93 93 51777 3 . ILE 94 94 51777 3 . THR 95 95 51777 3 . SER 96 96 51777 3 . ARG 97 97 51777 3 . GLU 98 98 51777 3 . ILE 99 99 51777 3 . GLN 100 100 51777 3 . THR 101 101 51777 3 . ALA 102 102 51777 3 . VAL 103 103 51777 3 . ARG 104 104 51777 3 . LEU 105 105 51777 3 . LEU 106 106 51777 3 . LEU 107 107 51777 3 . PRO 108 108 51777 3 . GLY 109 109 51777 3 . GLU 110 110 51777 3 . LEU 111 111 51777 3 . ALA 112 112 51777 3 . LYS 113 113 51777 3 . HIS 114 114 51777 3 . ALA 115 115 51777 3 . VAL 116 116 51777 3 . SER 117 117 51777 3 . GLU 118 118 51777 3 . GLY 119 119 51777 3 . THR 120 120 51777 3 . LYS 121 121 51777 3 . ALA 122 122 51777 3 . VAL 123 123 51777 3 . THR 124 124 51777 3 . LYS 125 125 51777 3 . TYR 126 126 51777 3 . THR 127 127 51777 3 . SER 128 128 51777 3 . ALA 129 129 51777 3 . LYS 130 130 51777 3 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 51777 _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 . . . . . . . . . . . . . 51777 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51777 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51777 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 51777 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51777 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51777 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51777 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51777 _Sample.ID 1 _Sample.Name Sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CTADN-H2AH2B complex' _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 CTADN '[U-98% 15N]' . . 1 $entity_1 . . 475 350 600 uM . . . . 51777 1 2 H2A 'natural abundance' . . 2 $entity_2 . . 475 350 600 uM . . . . 51777 1 3 H2B 'natural abundance' . . 3 $entity_3 . . 475 350 600 uM . . . . 51777 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 51777 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 51777 1 pH 6.0 . pH 51777 1 pressure 1 . atm 51777 1 temperature 293 . K 51777 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51777 _Software.ID 1 _Software.Type . _Software.Name Olivia _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51777 1 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 51777 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51777 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51777 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 51777 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 51777 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51777 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 51777 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CTADN assignment' _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 TROSY' . . . 51777 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 . . 51777 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 1 1 LEU H H 1 8.5050 0.0000 . 1 . . . . . 341 LEU HN . 51777 1 2 . 1 . 1 1 1 LEU N N 15 123.1300 0.0000 . 1 . . . . . 341 LEU N . 51777 1 3 . 1 . 1 2 2 GLY H H 1 8.4170 0.0000 . 1 . . . . . 342 GLY HN . 51777 1 4 . 1 . 1 2 2 GLY N N 15 110.9900 0.0000 . 1 . . . . . 342 GLY N . 51777 1 5 . 1 . 1 3 3 SER H H 1 8.2700 0.0000 . 1 . . . . . 343 SER HN . 51777 1 6 . 1 . 1 3 3 SER N N 15 116.6520 0.0000 . 1 . . . . . 343 SER N . 51777 1 7 . 1 . 1 4 4 GLY H H 1 8.5000 0.0000 . 1 . . . . . 344 GLY HN . 51777 1 8 . 1 . 1 4 4 GLY N N 15 111.9810 0.0000 . 1 . . . . . 344 GLY N . 51777 1 9 . 1 . 1 5 5 GLU H H 1 8.1500 0.0000 . 1 . . . . . 345 GLU HN . 51777 1 10 . 1 . 1 5 5 GLU N N 15 121.3110 0.0000 . 1 . . . . . 345 GLU N . 51777 1 11 . 1 . 1 6 6 ALA H H 1 8.3180 0.0000 . 1 . . . . . 346 ALA HN . 51777 1 12 . 1 . 1 6 6 ALA N N 15 126.0370 0.0000 . 1 . . . . . 346 ALA N . 51777 1 13 . 1 . 1 7 7 ILE H H 1 8.1060 0.0000 . 1 . . . . . 347 ILE HN . 51777 1 14 . 1 . 1 7 7 ILE N N 15 121.3790 0.0000 . 1 . . . . . 347 ILE N . 51777 1 15 . 1 . 1 8 8 GLU H H 1 8.4570 0.0000 . 1 . . . . . 348 GLU HN . 51777 1 16 . 1 . 1 8 8 GLU N N 15 125.9300 0.0000 . 1 . . . . . 348 GLU N . 51777 1 17 . 1 . 1 9 9 ASP H H 1 8.3270 0.0000 . 1 . . . . . 349 ASP HN . 51777 1 18 . 1 . 1 9 9 ASP N N 15 122.5150 0.0000 . 1 . . . . . 349 ASP N . 51777 1 19 . 1 . 1 10 10 ASP H H 1 8.2510 0.0000 . 1 . . . . . 350 ASP HN . 51777 1 20 . 1 . 1 10 10 ASP N N 15 121.6280 0.0000 . 1 . . . . . 350 ASP N . 51777 1 21 . 1 . 1 11 11 ASP H H 1 8.1730 0.0000 . 1 . . . . . 351 ASP HN . 51777 1 22 . 1 . 1 11 11 ASP N N 15 121.8340 0.0000 . 1 . . . . . 351 ASP N . 51777 1 23 . 1 . 1 14 14 TYR H H 1 7.9700 0.0000 . 1 . . . . . 354 TYR HN . 51777 1 24 . 1 . 1 14 14 TYR N N 15 120.8900 0.0000 . 1 . . . . . 354 TYR N . 51777 1 25 . 1 . 1 18 18 GLY H H 1 8.0890 0.0000 . 1 . . . . . 358 GLY HN . 51777 1 26 . 1 . 1 18 18 GLY N N 15 109.6180 0.0000 . 1 . . . . . 358 GLY N . 51777 1 27 . 1 . 1 22 22 ASP H H 1 8.2840 0.0000 . 1 . . . . . 362 ASP HN . 51777 1 28 . 1 . 1 22 22 ASP N N 15 120.9910 0.0000 . 1 . . . . . 362 ASP N . 51777 1 29 . 1 . 1 23 23 GLU H H 1 8.3660 0.0000 . 1 . . . . . 363 GLU HN . 51777 1 30 . 1 . 1 23 23 GLU N N 15 122.3490 0.0000 . 1 . . . . . 363 GLU N . 51777 1 31 . 1 . 1 24 24 GLU H H 1 8.4000 0.0000 . 1 . . . . . 364 GLU HN . 51777 1 32 . 1 . 1 24 24 GLU N N 15 122.5300 0.0000 . 1 . . . . . 364 GLU N . 51777 1 33 . 1 . 1 25 25 GLY H H 1 8.0100 0.0000 . 1 . . . . . 365 GLY HN . 51777 1 34 . 1 . 1 25 25 GLY N N 15 116.5380 0.0000 . 1 . . . . . 365 GLY N . 51777 1 stop_ save_