data_51776 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51776 _Entry.Title ; CTADN-R77EH2B 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 . . . . 51776 2 Junichi Kurita . . . 0000-0002-7369-3130 51776 3 Yoshifumi Nishimura . . . . 51776 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' . 51776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 250 51776 '1H chemical shifts' 250 51776 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' 51776 1 . . 2023-06-30 2023-01-09 original author 'original release' 51776 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51771 'CTADC region of NAP1' 51776 BMRB 51772 'CTADN region of NAP1' 51776 BMRB 51773 'CTADC-H2AH2B complex' 51776 BMRB 51774 H2AH2B 51776 BMRB 51775 'R77EH2B hetero dimer' 51776 BMRB 51777 'CTADN-H2AH2B complex' 51776 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51776 _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 . . . . 51776 1 2 Tsutomu Yamane . . . . 51776 1 3 Takashi Oda . . . . 51776 1 4 Noriyuki Kodera . . . . 51776 1 5 Junichi Kurita . . . . 51776 1 6 Yasuo Tsunaka . . . . 51776 1 7 Romain Amyot . . . . 51776 1 8 Mutsunori Ikeguchi . . . . 51776 1 9 Yoshifumi Nishimura . . . . 51776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51776 _Assembly.ID 1 _Assembly.Name 'CTADN-R77EH2B 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 . . . 51776 1 2 R77E 2 $entity_2 . . yes native no no . . . 51776 1 3 H2B 3 $entity_3 . . yes native no no . . . 51776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51776 _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 . 51776 1 2 342 GLY . 51776 1 3 343 SER . 51776 1 4 344 GLY . 51776 1 5 345 GLU . 51776 1 6 346 ALA . 51776 1 7 347 ILE . 51776 1 8 348 GLU . 51776 1 9 349 ASP . 51776 1 10 350 ASP . 51776 1 11 351 ASP . 51776 1 12 352 ASP . 51776 1 13 353 ASP . 51776 1 14 354 TYR . 51776 1 15 355 ASP . 51776 1 16 356 GLU . 51776 1 17 357 GLU . 51776 1 18 358 GLY . 51776 1 19 359 GLU . 51776 1 20 360 GLU . 51776 1 21 361 ALA . 51776 1 22 362 ASP . 51776 1 23 363 GLU . 51776 1 24 364 GLU . 51776 1 25 365 GLY . 51776 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 51776 1 . GLY 2 2 51776 1 . SER 3 3 51776 1 . GLY 4 4 51776 1 . GLU 5 5 51776 1 . ALA 6 6 51776 1 . ILE 7 7 51776 1 . GLU 8 8 51776 1 . ASP 9 9 51776 1 . ASP 10 10 51776 1 . ASP 11 11 51776 1 . ASP 12 12 51776 1 . ASP 13 13 51776 1 . TYR 14 14 51776 1 . ASP 15 15 51776 1 . GLU 16 16 51776 1 . GLU 17 17 51776 1 . GLY 18 18 51776 1 . GLU 19 19 51776 1 . GLU 20 20 51776 1 . ALA 21 21 51776 1 . ASP 22 22 51776 1 . GLU 23 23 51776 1 . GLU 24 24 51776 1 . GLY 25 25 51776 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51776 _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 ; AGMSGRGKQGGKARAKAKTR SSRAGLQFPVGRVHRLLRKG NYSERVGAGAPVYLAAVLEY LTAEILELAGNAARDNKKTE IIPRHLQLAIRNDEELNKLL GRVTIAQGGVLPNIQAVLLP KKTESHHKAKGK ; _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 132 _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 -1 ALA . 51776 2 2 0 GLY . 51776 2 3 1 MET . 51776 2 4 2 SER . 51776 2 5 3 GLY . 51776 2 6 4 ARG . 51776 2 7 5 GLY . 51776 2 8 6 LYS . 51776 2 9 7 GLN . 51776 2 10 8 GLY . 51776 2 11 9 GLY . 51776 2 12 10 LYS . 51776 2 13 11 ALA . 51776 2 14 12 ARG . 51776 2 15 13 ALA . 51776 2 16 14 LYS . 51776 2 17 15 ALA . 51776 2 18 16 LYS . 51776 2 19 17 THR . 51776 2 20 18 ARG . 51776 2 21 19 SER . 51776 2 22 20 SER . 51776 2 23 21 ARG . 51776 2 24 22 ALA . 51776 2 25 23 GLY . 51776 2 26 24 LEU . 51776 2 27 25 GLN . 51776 2 28 26 PHE . 51776 2 29 27 PRO . 51776 2 30 28 VAL . 51776 2 31 29 GLY . 51776 2 32 30 ARG . 51776 2 33 31 VAL . 51776 2 34 32 HIS . 51776 2 35 33 ARG . 51776 2 36 34 LEU . 51776 2 37 35 LEU . 51776 2 38 36 ARG . 51776 2 39 37 LYS . 51776 2 40 38 GLY . 51776 2 41 39 ASN . 51776 2 42 40 TYR . 51776 2 43 41 SER . 51776 2 44 42 GLU . 51776 2 45 43 ARG . 51776 2 46 44 VAL . 51776 2 47 45 GLY . 51776 2 48 46 ALA . 51776 2 49 47 GLY . 51776 2 50 48 ALA . 51776 2 51 49 PRO . 51776 2 52 50 VAL . 51776 2 53 51 TYR . 51776 2 54 52 LEU . 51776 2 55 53 ALA . 51776 2 56 54 ALA . 51776 2 57 55 VAL . 51776 2 58 56 LEU . 51776 2 59 57 GLU . 51776 2 60 58 TYR . 51776 2 61 59 LEU . 51776 2 62 60 THR . 51776 2 63 61 ALA . 51776 2 64 62 GLU . 51776 2 65 63 ILE . 51776 2 66 64 LEU . 51776 2 67 65 GLU . 51776 2 68 66 LEU . 51776 2 69 67 ALA . 51776 2 70 68 GLY . 51776 2 71 69 ASN . 51776 2 72 70 ALA . 51776 2 73 71 ALA . 51776 2 74 72 ARG . 51776 2 75 73 ASP . 51776 2 76 74 ASN . 51776 2 77 75 LYS . 51776 2 78 76 LYS . 51776 2 79 77 THR . 51776 2 80 78 GLU . 51776 2 81 79 ILE . 51776 2 82 80 ILE . 51776 2 83 81 PRO . 51776 2 84 82 ARG . 51776 2 85 83 HIS . 51776 2 86 84 LEU . 51776 2 87 85 GLN . 51776 2 88 86 LEU . 51776 2 89 87 ALA . 51776 2 90 88 ILE . 51776 2 91 89 ARG . 51776 2 92 90 ASN . 51776 2 93 91 ASP . 51776 2 94 92 GLU . 51776 2 95 93 GLU . 51776 2 96 94 LEU . 51776 2 97 95 ASN . 51776 2 98 96 LYS . 51776 2 99 97 LEU . 51776 2 100 98 LEU . 51776 2 101 99 GLY . 51776 2 102 100 ARG . 51776 2 103 101 VAL . 51776 2 104 102 THR . 51776 2 105 103 ILE . 51776 2 106 104 ALA . 51776 2 107 105 GLN . 51776 2 108 106 GLY . 51776 2 109 107 GLY . 51776 2 110 108 VAL . 51776 2 111 109 LEU . 51776 2 112 110 PRO . 51776 2 113 111 ASN . 51776 2 114 112 ILE . 51776 2 115 113 GLN . 51776 2 116 114 ALA . 51776 2 117 115 VAL . 51776 2 118 116 LEU . 51776 2 119 117 LEU . 51776 2 120 118 PRO . 51776 2 121 119 LYS . 51776 2 122 120 LYS . 51776 2 123 121 THR . 51776 2 124 122 GLU . 51776 2 125 123 SER . 51776 2 126 124 HIS . 51776 2 127 125 HIS . 51776 2 128 126 LYS . 51776 2 129 127 ALA . 51776 2 130 128 LYS . 51776 2 131 129 GLY . 51776 2 132 130 LYS . 51776 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 51776 2 . GLY 2 2 51776 2 . MET 3 3 51776 2 . SER 4 4 51776 2 . GLY 5 5 51776 2 . ARG 6 6 51776 2 . GLY 7 7 51776 2 . LYS 8 8 51776 2 . GLN 9 9 51776 2 . GLY 10 10 51776 2 . GLY 11 11 51776 2 . LYS 12 12 51776 2 . ALA 13 13 51776 2 . ARG 14 14 51776 2 . ALA 15 15 51776 2 . LYS 16 16 51776 2 . ALA 17 17 51776 2 . LYS 18 18 51776 2 . THR 19 19 51776 2 . ARG 20 20 51776 2 . SER 21 21 51776 2 . SER 22 22 51776 2 . ARG 23 23 51776 2 . ALA 24 24 51776 2 . GLY 25 25 51776 2 . LEU 26 26 51776 2 . GLN 27 27 51776 2 . PHE 28 28 51776 2 . PRO 29 29 51776 2 . VAL 30 30 51776 2 . GLY 31 31 51776 2 . ARG 32 32 51776 2 . VAL 33 33 51776 2 . HIS 34 34 51776 2 . ARG 35 35 51776 2 . LEU 36 36 51776 2 . LEU 37 37 51776 2 . ARG 38 38 51776 2 . LYS 39 39 51776 2 . GLY 40 40 51776 2 . ASN 41 41 51776 2 . TYR 42 42 51776 2 . SER 43 43 51776 2 . GLU 44 44 51776 2 . ARG 45 45 51776 2 . VAL 46 46 51776 2 . GLY 47 47 51776 2 . ALA 48 48 51776 2 . GLY 49 49 51776 2 . ALA 50 50 51776 2 . PRO 51 51 51776 2 . VAL 52 52 51776 2 . TYR 53 53 51776 2 . LEU 54 54 51776 2 . ALA 55 55 51776 2 . ALA 56 56 51776 2 . VAL 57 57 51776 2 . LEU 58 58 51776 2 . GLU 59 59 51776 2 . TYR 60 60 51776 2 . LEU 61 61 51776 2 . THR 62 62 51776 2 . ALA 63 63 51776 2 . GLU 64 64 51776 2 . ILE 65 65 51776 2 . LEU 66 66 51776 2 . GLU 67 67 51776 2 . LEU 68 68 51776 2 . ALA 69 69 51776 2 . GLY 70 70 51776 2 . ASN 71 71 51776 2 . ALA 72 72 51776 2 . ALA 73 73 51776 2 . ARG 74 74 51776 2 . ASP 75 75 51776 2 . ASN 76 76 51776 2 . LYS 77 77 51776 2 . LYS 78 78 51776 2 . THR 79 79 51776 2 . GLU 80 80 51776 2 . ILE 81 81 51776 2 . ILE 82 82 51776 2 . PRO 83 83 51776 2 . ARG 84 84 51776 2 . HIS 85 85 51776 2 . LEU 86 86 51776 2 . GLN 87 87 51776 2 . LEU 88 88 51776 2 . ALA 89 89 51776 2 . ILE 90 90 51776 2 . ARG 91 91 51776 2 . ASN 92 92 51776 2 . ASP 93 93 51776 2 . GLU 94 94 51776 2 . GLU 95 95 51776 2 . LEU 96 96 51776 2 . ASN 97 97 51776 2 . LYS 98 98 51776 2 . LEU 99 99 51776 2 . LEU 100 100 51776 2 . GLY 101 101 51776 2 . ARG 102 102 51776 2 . VAL 103 103 51776 2 . THR 104 104 51776 2 . ILE 105 105 51776 2 . ALA 106 106 51776 2 . GLN 107 107 51776 2 . GLY 108 108 51776 2 . GLY 109 109 51776 2 . VAL 110 110 51776 2 . LEU 111 111 51776 2 . PRO 112 112 51776 2 . ASN 113 113 51776 2 . ILE 114 114 51776 2 . GLN 115 115 51776 2 . ALA 116 116 51776 2 . VAL 117 117 51776 2 . LEU 118 118 51776 2 . LEU 119 119 51776 2 . PRO 120 120 51776 2 . LYS 121 121 51776 2 . LYS 122 122 51776 2 . THR 123 123 51776 2 . GLU 124 124 51776 2 . SER 125 125 51776 2 . HIS 126 126 51776 2 . HIS 127 127 51776 2 . LYS 128 128 51776 2 . ALA 129 129 51776 2 . LYS 130 130 51776 2 . GLY 131 131 51776 2 . LYS 132 132 51776 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51776 _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 . 51776 3 2 -3 GLY . 51776 3 3 -2 PRO . 51776 3 4 -1 GLY . 51776 3 5 0 MET . 51776 3 6 1 PRO . 51776 3 7 2 GLU . 51776 3 8 3 PRO . 51776 3 9 4 ALA . 51776 3 10 5 LYS . 51776 3 11 6 SER . 51776 3 12 7 ALA . 51776 3 13 8 PRO . 51776 3 14 9 ALA . 51776 3 15 10 PRO . 51776 3 16 11 LYS . 51776 3 17 12 LYS . 51776 3 18 13 GLY . 51776 3 19 14 SER . 51776 3 20 15 LYS . 51776 3 21 16 LYS . 51776 3 22 17 ALA . 51776 3 23 18 VAL . 51776 3 24 19 THR . 51776 3 25 20 LYS . 51776 3 26 21 ALA . 51776 3 27 22 GLN . 51776 3 28 23 LYS . 51776 3 29 24 LYS . 51776 3 30 25 ASP . 51776 3 31 26 GLY . 51776 3 32 27 LYS . 51776 3 33 28 LYS . 51776 3 34 29 ARG . 51776 3 35 30 LYS . 51776 3 36 31 ARG . 51776 3 37 32 SER . 51776 3 38 33 ARG . 51776 3 39 34 LYS . 51776 3 40 35 GLU . 51776 3 41 36 SER . 51776 3 42 37 TYR . 51776 3 43 38 SER . 51776 3 44 39 ILE . 51776 3 45 40 TYR . 51776 3 46 41 VAL . 51776 3 47 42 TYR . 51776 3 48 43 LYS . 51776 3 49 44 VAL . 51776 3 50 45 LEU . 51776 3 51 46 LYS . 51776 3 52 47 GLN . 51776 3 53 48 VAL . 51776 3 54 49 HIS . 51776 3 55 50 PRO . 51776 3 56 51 ASP . 51776 3 57 52 THR . 51776 3 58 53 GLY . 51776 3 59 54 ILE . 51776 3 60 55 SER . 51776 3 61 56 SER . 51776 3 62 57 LYS . 51776 3 63 58 ALA . 51776 3 64 59 MET . 51776 3 65 60 GLY . 51776 3 66 61 ILE . 51776 3 67 62 MET . 51776 3 68 63 ASN . 51776 3 69 64 SER . 51776 3 70 65 PHE . 51776 3 71 66 VAL . 51776 3 72 67 ASN . 51776 3 73 68 ASP . 51776 3 74 69 ILE . 51776 3 75 70 PHE . 51776 3 76 71 GLU . 51776 3 77 72 ARG . 51776 3 78 73 ILE . 51776 3 79 74 ALA . 51776 3 80 75 GLY . 51776 3 81 76 GLU . 51776 3 82 77 ALA . 51776 3 83 78 SER . 51776 3 84 79 ARG . 51776 3 85 80 LEU . 51776 3 86 81 ALA . 51776 3 87 82 HIS . 51776 3 88 83 TYR . 51776 3 89 84 ASN . 51776 3 90 85 LYS . 51776 3 91 86 ARG . 51776 3 92 87 SER . 51776 3 93 88 THR . 51776 3 94 89 ILE . 51776 3 95 90 THR . 51776 3 96 91 SER . 51776 3 97 92 ARG . 51776 3 98 93 GLU . 51776 3 99 94 ILE . 51776 3 100 95 GLN . 51776 3 101 96 THR . 51776 3 102 97 ALA . 51776 3 103 98 VAL . 51776 3 104 99 ARG . 51776 3 105 100 LEU . 51776 3 106 101 LEU . 51776 3 107 102 LEU . 51776 3 108 103 PRO . 51776 3 109 104 GLY . 51776 3 110 105 GLU . 51776 3 111 106 LEU . 51776 3 112 107 ALA . 51776 3 113 108 LYS . 51776 3 114 109 HIS . 51776 3 115 110 ALA . 51776 3 116 111 VAL . 51776 3 117 112 SER . 51776 3 118 113 GLU . 51776 3 119 114 GLY . 51776 3 120 115 THR . 51776 3 121 116 LYS . 51776 3 122 117 ALA . 51776 3 123 118 VAL . 51776 3 124 119 THR . 51776 3 125 120 LYS . 51776 3 126 121 TYR . 51776 3 127 122 THR . 51776 3 128 123 SER . 51776 3 129 124 ALA . 51776 3 130 125 LYS . 51776 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 51776 3 . GLY 2 2 51776 3 . PRO 3 3 51776 3 . GLY 4 4 51776 3 . MET 5 5 51776 3 . PRO 6 6 51776 3 . GLU 7 7 51776 3 . PRO 8 8 51776 3 . ALA 9 9 51776 3 . LYS 10 10 51776 3 . SER 11 11 51776 3 . ALA 12 12 51776 3 . PRO 13 13 51776 3 . ALA 14 14 51776 3 . PRO 15 15 51776 3 . LYS 16 16 51776 3 . LYS 17 17 51776 3 . GLY 18 18 51776 3 . SER 19 19 51776 3 . LYS 20 20 51776 3 . LYS 21 21 51776 3 . ALA 22 22 51776 3 . VAL 23 23 51776 3 . THR 24 24 51776 3 . LYS 25 25 51776 3 . ALA 26 26 51776 3 . GLN 27 27 51776 3 . LYS 28 28 51776 3 . LYS 29 29 51776 3 . ASP 30 30 51776 3 . GLY 31 31 51776 3 . LYS 32 32 51776 3 . LYS 33 33 51776 3 . ARG 34 34 51776 3 . LYS 35 35 51776 3 . ARG 36 36 51776 3 . SER 37 37 51776 3 . ARG 38 38 51776 3 . LYS 39 39 51776 3 . GLU 40 40 51776 3 . SER 41 41 51776 3 . TYR 42 42 51776 3 . SER 43 43 51776 3 . ILE 44 44 51776 3 . TYR 45 45 51776 3 . VAL 46 46 51776 3 . TYR 47 47 51776 3 . LYS 48 48 51776 3 . VAL 49 49 51776 3 . LEU 50 50 51776 3 . LYS 51 51 51776 3 . GLN 52 52 51776 3 . VAL 53 53 51776 3 . HIS 54 54 51776 3 . PRO 55 55 51776 3 . ASP 56 56 51776 3 . THR 57 57 51776 3 . GLY 58 58 51776 3 . ILE 59 59 51776 3 . SER 60 60 51776 3 . SER 61 61 51776 3 . LYS 62 62 51776 3 . ALA 63 63 51776 3 . MET 64 64 51776 3 . GLY 65 65 51776 3 . ILE 66 66 51776 3 . MET 67 67 51776 3 . ASN 68 68 51776 3 . SER 69 69 51776 3 . PHE 70 70 51776 3 . VAL 71 71 51776 3 . ASN 72 72 51776 3 . ASP 73 73 51776 3 . ILE 74 74 51776 3 . PHE 75 75 51776 3 . GLU 76 76 51776 3 . ARG 77 77 51776 3 . ILE 78 78 51776 3 . ALA 79 79 51776 3 . GLY 80 80 51776 3 . GLU 81 81 51776 3 . ALA 82 82 51776 3 . SER 83 83 51776 3 . ARG 84 84 51776 3 . LEU 85 85 51776 3 . ALA 86 86 51776 3 . HIS 87 87 51776 3 . TYR 88 88 51776 3 . ASN 89 89 51776 3 . LYS 90 90 51776 3 . ARG 91 91 51776 3 . SER 92 92 51776 3 . THR 93 93 51776 3 . ILE 94 94 51776 3 . THR 95 95 51776 3 . SER 96 96 51776 3 . ARG 97 97 51776 3 . GLU 98 98 51776 3 . ILE 99 99 51776 3 . GLN 100 100 51776 3 . THR 101 101 51776 3 . ALA 102 102 51776 3 . VAL 103 103 51776 3 . ARG 104 104 51776 3 . LEU 105 105 51776 3 . LEU 106 106 51776 3 . LEU 107 107 51776 3 . PRO 108 108 51776 3 . GLY 109 109 51776 3 . GLU 110 110 51776 3 . LEU 111 111 51776 3 . ALA 112 112 51776 3 . LYS 113 113 51776 3 . HIS 114 114 51776 3 . ALA 115 115 51776 3 . VAL 116 116 51776 3 . SER 117 117 51776 3 . GLU 118 118 51776 3 . GLY 119 119 51776 3 . THR 120 120 51776 3 . LYS 121 121 51776 3 . ALA 122 122 51776 3 . VAL 123 123 51776 3 . THR 124 124 51776 3 . LYS 125 125 51776 3 . TYR 126 126 51776 3 . THR 127 127 51776 3 . SER 128 128 51776 3 . ALA 129 129 51776 3 . LYS 130 130 51776 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 51776 _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 . . . . . . . . . . . . . 51776 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51776 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51776 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 51776 _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 . . . 51776 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51776 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51776 _Sample.ID 1 _Sample.Name Sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CTADN-R77EH2B 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 . . . . 51776 1 2 R77E 'natural abundance' . . 2 $entity_2 . . 475 350 600 uM . . . . 51776 1 3 H2B 'natural abundance' . . 3 $entity_3 . . 475 350 600 uM . . . . 51776 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51776 _Sample.ID 2 _Sample.Name Sample2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CTADN-R77EH2B 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 'natural abundance' . . 1 $entity_1 . . 475 350 600 uM . . . . 51776 2 2 R77E '[U-98% 15N]' . . 2 $entity_2 . . 475 350 600 uM . . . . 51776 2 3 H2B '[U-98% 15N]' . . 3 $entity_3 . . 475 350 600 uM . . . . 51776 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51776 _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 51776 1 pH 6.0 . pH 51776 1 pressure 1 . atm 51776 1 temperature 293 . K 51776 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51776 _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' . 51776 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 51776 _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 51776 _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 . . . . . . . . . . . . . . . . . 51776 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51776 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 51776 _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 . . . . . 51776 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51776 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 51776 _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' . . . 51776 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 . . 51776 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 8.5300 0.0000 . 1 . . . . . 341 LEU HN . 51776 1 2 . 1 . 1 1 1 LEU N N 15 122.8210 0.0000 . 1 . . . . . 341 LEU N . 51776 1 3 . 1 . 1 2 2 GLY H H 1 8.4450 0.0000 . 1 . . . . . 342 GLY HN . 51776 1 4 . 1 . 1 2 2 GLY N N 15 110.7110 0.0000 . 1 . . . . . 342 GLY N . 51776 1 5 . 1 . 1 3 3 SER H H 1 8.2980 0.0000 . 1 . . . . . 343 SER HN . 51776 1 6 . 1 . 1 3 3 SER N N 15 116.3710 0.0000 . 1 . . . . . 343 SER N . 51776 1 7 . 1 . 1 4 4 GLY H H 1 8.5260 0.0000 . 1 . . . . . 344 GLY HN . 51776 1 8 . 1 . 1 4 4 GLY N N 15 111.6870 0.0000 . 1 . . . . . 344 GLY N . 51776 1 9 . 1 . 1 5 5 GLU H H 1 8.1710 0.0000 . 1 . . . . . 345 GLU HN . 51776 1 10 . 1 . 1 5 5 GLU N N 15 120.9250 0.0000 . 1 . . . . . 345 GLU N . 51776 1 11 . 1 . 1 6 6 ALA H H 1 8.3360 0.0000 . 1 . . . . . 346 ALA HN . 51776 1 12 . 1 . 1 6 6 ALA N N 15 125.6680 0.0000 . 1 . . . . . 346 ALA N . 51776 1 13 . 1 . 1 7 7 ILE H H 1 8.1460 0.0000 . 1 . . . . . 347 ILE HN . 51776 1 14 . 1 . 1 7 7 ILE N N 15 121.2150 0.0000 . 1 . . . . . 347 ILE N . 51776 1 15 . 1 . 1 8 8 GLU H H 1 8.5060 0.0000 . 1 . . . . . 348 GLU HN . 51776 1 16 . 1 . 1 8 8 GLU N N 15 125.6400 0.0000 . 1 . . . . . 348 GLU N . 51776 1 17 . 1 . 1 9 9 ASP H H 1 8.3690 0.0000 . 1 . . . . . 349 ASP HN . 51776 1 18 . 1 . 1 9 9 ASP N N 15 122.3820 0.0000 . 1 . . . . . 349 ASP N . 51776 1 19 . 1 . 1 10 10 ASP H H 1 8.3410 0.0000 . 1 . . . . . 350 ASP HN . 51776 1 20 . 1 . 1 10 10 ASP N N 15 121.5360 0.0000 . 1 . . . . . 350 ASP N . 51776 1 21 . 1 . 1 11 11 ASP H H 1 8.3250 0.0000 . 1 . . . . . 351 ASP HN . 51776 1 22 . 1 . 1 11 11 ASP N N 15 121.3530 0.0000 . 1 . . . . . 351 ASP N . 51776 1 23 . 1 . 1 12 12 ASP H H 1 8.2860 0.0000 . 1 . . . . . 352 ASP HN . 51776 1 24 . 1 . 1 12 12 ASP N N 15 121.1120 0.0000 . 1 . . . . . 352 ASP N . 51776 1 25 . 1 . 1 13 13 ASP H H 1 8.2280 0.0000 . 1 . . . . . 353 ASP HN . 51776 1 26 . 1 . 1 13 13 ASP N N 15 120.7930 0.0000 . 1 . . . . . 353 ASP N . 51776 1 27 . 1 . 1 14 14 TYR H H 1 8.0300 0.0000 . 1 . . . . . 354 TYR HN . 51776 1 28 . 1 . 1 14 14 TYR N N 15 120.9790 0.0000 . 1 . . . . . 354 TYR N . 51776 1 29 . 1 . 1 15 15 ASP H H 1 8.2540 0.0000 . 1 . . . . . 355 ASP HN . 51776 1 30 . 1 . 1 15 15 ASP N N 15 123.2200 0.0000 . 1 . . . . . 355 ASP N . 51776 1 31 . 1 . 1 16 16 GLU H H 1 8.3250 0.0000 . 1 . . . . . 356 GLU HN . 51776 1 32 . 1 . 1 16 16 GLU N N 15 122.3060 0.0000 . 1 . . . . . 356 GLU N . 51776 1 33 . 1 . 1 17 17 GLU H H 1 8.4300 0.0000 . 1 . . . . . 357 GLU HN . 51776 1 34 . 1 . 1 17 17 GLU N N 15 121.5480 0.0000 . 1 . . . . . 357 GLU N . 51776 1 35 . 1 . 1 18 18 GLY H H 1 8.3320 0.0000 . 1 . . . . . 358 GLY HN . 51776 1 36 . 1 . 1 18 18 GLY N N 15 110.0150 0.0000 . 1 . . . . . 358 GLY N . 51776 1 37 . 1 . 1 19 19 GLU H H 1 8.2460 0.0000 . 1 . . . . . 359 GLU HN . 51776 1 38 . 1 . 1 19 19 GLU N N 15 120.8430 0.0000 . 1 . . . . . 359 GLU N . 51776 1 39 . 1 . 1 20 20 GLU H H 1 8.5270 0.0000 . 1 . . . . . 360 GLU HN . 51776 1 40 . 1 . 1 20 20 GLU N N 15 122.2830 0.0000 . 1 . . . . . 360 GLU N . 51776 1 41 . 1 . 1 21 21 ALA H H 1 8.3000 0.0000 . 1 . . . . . 361 ALA HN . 51776 1 42 . 1 . 1 21 21 ALA N N 15 125.4080 0.0000 . 1 . . . . . 361 ALA N . 51776 1 43 . 1 . 1 22 22 ASP H H 1 8.3060 0.0000 . 1 . . . . . 362 ASP HN . 51776 1 44 . 1 . 1 22 22 ASP N N 15 120.4280 0.0000 . 1 . . . . . 362 ASP N . 51776 1 45 . 1 . 1 23 23 GLU H H 1 8.3510 0.0000 . 1 . . . . . 363 GLU HN . 51776 1 46 . 1 . 1 23 23 GLU N N 15 121.5530 0.0000 . 1 . . . . . 363 GLU N . 51776 1 47 . 1 . 1 24 24 GLU H H 1 8.4130 0.0000 . 1 . . . . . 364 GLU HN . 51776 1 48 . 1 . 1 24 24 GLU N N 15 122.1870 0.0000 . 1 . . . . . 364 GLU N . 51776 1 49 . 1 . 1 25 25 GLY H H 1 8.0260 0.0000 . 1 . . . . . 365 GLY HN . 51776 1 50 . 1 . 1 25 25 GLY N N 15 116.3720 0.0000 . 1 . . . . . 365 GLY N . 51776 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51776 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'R77E 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 2 '2D 1H-15N TROSY' . . . 51776 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51776 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 MET H H 1 8.2900 0.0000 . 1 . . . . . 1 MET HN . 51776 2 2 . 2 . 2 3 3 MET N N 15 120.5880 0.0000 . 1 . . . . . 1 MET N . 51776 2 3 . 2 . 2 4 4 SER H H 1 8.4180 0.0000 . 1 . . . . . 2 SER HN . 51776 2 4 . 2 . 2 4 4 SER N N 15 117.4910 0.0000 . 1 . . . . . 2 SER N . 51776 2 5 . 2 . 2 5 5 GLY H H 1 8.4430 0.0000 . 1 . . . . . 3 GLY HN . 51776 2 6 . 2 . 2 5 5 GLY N N 15 111.2740 0.0000 . 1 . . . . . 3 GLY N . 51776 2 7 . 2 . 2 6 6 ARG H H 1 8.1900 0.0000 . 1 . . . . . 4 ARG HN . 51776 2 8 . 2 . 2 6 6 ARG N N 15 120.8340 0.0000 . 1 . . . . . 4 ARG N . 51776 2 9 . 2 . 2 7 7 GLY H H 1 8.4620 0.0000 . 1 . . . . . 5 GLY HN . 51776 2 10 . 2 . 2 7 7 GLY N N 15 110.2490 0.0000 . 1 . . . . . 5 GLY N . 51776 2 11 . 2 . 2 8 8 LYS H H 1 8.2420 0.0000 . 1 . . . . . 6 LYS HN . 51776 2 12 . 2 . 2 8 8 LYS N N 15 121.4790 0.0000 . 1 . . . . . 6 LYS N . 51776 2 13 . 2 . 2 9 9 GLN H H 1 8.5050 0.0000 . 1 . . . . . 7 GLN HN . 51776 2 14 . 2 . 2 9 9 GLN N N 15 121.7700 0.0000 . 1 . . . . . 7 GLN N . 51776 2 15 . 2 . 2 10 10 GLY H H 1 8.4360 0.0000 . 1 . . . . . 8 GLY HN . 51776 2 16 . 2 . 2 10 10 GLY N N 15 110.6210 0.0000 . 1 . . . . . 8 GLY N . 51776 2 17 . 2 . 2 11 11 GLY H H 1 8.2840 0.0000 . 1 . . . . . 9 GLY HN . 51776 2 18 . 2 . 2 11 11 GLY N N 15 109.2760 0.0000 . 1 . . . . . 9 GLY N . 51776 2 19 . 2 . 2 12 12 LYS H H 1 8.2060 0.0000 . 1 . . . . . 10 LYS HN . 51776 2 20 . 2 . 2 12 12 LYS N N 15 121.5530 0.0000 . 1 . . . . . 10 LYS N . 51776 2 21 . 2 . 2 13 13 ALA H H 1 8.3060 0.0000 . 1 . . . . . 11 ALA HN . 51776 2 22 . 2 . 2 13 13 ALA N N 15 125.4930 0.0000 . 1 . . . . . 11 ALA N . 51776 2 23 . 2 . 2 14 14 ARG H H 1 8.2610 0.0000 . 1 . . . . . 12 ARG HN . 51776 2 24 . 2 . 2 14 14 ARG N N 15 121.0610 0.0000 . 1 . . . . . 12 ARG N . 51776 2 25 . 2 . 2 15 15 ALA H H 1 8.2780 0.0000 . 1 . . . . . 13 ALA HN . 51776 2 26 . 2 . 2 15 15 ALA N N 15 125.7020 0.0000 . 1 . . . . . 13 ALA N . 51776 2 27 . 2 . 2 16 16 LYS H H 1 8.2760 0.0000 . 1 . . . . . 14 LYS HN . 51776 2 28 . 2 . 2 16 16 LYS N N 15 121.2560 0.0000 . 1 . . . . . 14 LYS N . 51776 2 29 . 2 . 2 17 17 ALA H H 1 8.2980 0.0000 . 1 . . . . . 15 ALA HN . 51776 2 30 . 2 . 2 17 17 ALA N N 15 125.5620 0.0000 . 1 . . . . . 15 ALA N . 51776 2 31 . 2 . 2 18 18 LYS H H 1 8.3560 0.0000 . 1 . . . . . 16 LYS HN . 51776 2 32 . 2 . 2 18 18 LYS N N 15 121.1010 0.0000 . 1 . . . . . 16 LYS N . 51776 2 33 . 2 . 2 19 19 THR H H 1 8.2450 0.0000 . 1 . . . . . 17 THR HN . 51776 2 34 . 2 . 2 19 19 THR N N 15 113.9770 0.0000 . 1 . . . . . 17 THR N . 51776 2 35 . 2 . 2 20 20 ARG H H 1 8.4810 0.0000 . 1 . . . . . 18 ARG HN . 51776 2 36 . 2 . 2 20 20 ARG N N 15 123.9950 0.0000 . 1 . . . . . 18 ARG N . 51776 2 37 . 2 . 2 21 21 SER H H 1 8.6030 0.0000 . 1 . . . . . 19 SER HN . 51776 2 38 . 2 . 2 21 21 SER N N 15 115.2320 0.0000 . 1 . . . . . 19 SER N . 51776 2 39 . 2 . 2 22 22 SER H H 1 8.3090 0.0000 . 1 . . . . . 20 SER HN . 51776 2 40 . 2 . 2 22 22 SER N N 15 119.1390 0.0000 . 1 . . . . . 20 SER N . 51776 2 41 . 2 . 2 23 23 ARG H H 1 8.3090 0.0000 . 1 . . . . . 21 ARG HN . 51776 2 42 . 2 . 2 23 23 ARG N N 15 123.7490 0.0000 . 1 . . . . . 21 ARG N . 51776 2 43 . 2 . 2 25 25 GLY H H 1 8.0080 0.0000 . 1 . . . . . 23 GLY HN . 51776 2 44 . 2 . 2 25 25 GLY N N 15 107.7710 0.0000 . 1 . . . . . 23 GLY N . 51776 2 45 . 2 . 2 26 26 LEU H H 1 8.0470 0.0000 . 1 . . . . . 24 LEU HN . 51776 2 46 . 2 . 2 26 26 LEU N N 15 119.2810 0.0000 . 1 . . . . . 24 LEU N . 51776 2 47 . 2 . 2 30 30 VAL H H 1 8.1580 0.0000 . 1 . . . . . 28 VAL HN . 51776 2 48 . 2 . 2 30 30 VAL N N 15 128.1680 0.0000 . 1 . . . . . 28 VAL N . 51776 2 49 . 2 . 2 31 31 GLY H H 1 9.0410 0.0000 . 1 . . . . . 29 GLY HN . 51776 2 50 . 2 . 2 31 31 GLY N N 15 108.8280 0.0000 . 1 . . . . . 29 GLY N . 51776 2 51 . 2 . 2 32 32 ARG H H 1 7.6010 0.0000 . 1 . . . . . 30 ARG HN . 51776 2 52 . 2 . 2 32 32 ARG N N 15 122.0280 0.0000 . 1 . . . . . 30 ARG N . 51776 2 53 . 2 . 2 33 33 VAL H H 1 7.7440 0.0000 . 1 . . . . . 31 VAL HN . 51776 2 54 . 2 . 2 33 33 VAL N N 15 119.0470 0.0000 . 1 . . . . . 31 VAL N . 51776 2 55 . 2 . 2 34 34 HIS H H 1 8.6730 0.0000 . 1 . . . . . 32 HIS HN . 51776 2 56 . 2 . 2 34 34 HIS N N 15 120.4850 0.0000 . 1 . . . . . 32 HIS N . 51776 2 57 . 2 . 2 36 36 LEU H H 1 8.3300 0.0000 . 1 . . . . . 34 LEU HN . 51776 2 58 . 2 . 2 36 36 LEU N N 15 120.0360 0.0000 . 1 . . . . . 34 LEU N . 51776 2 59 . 2 . 2 37 37 LEU H H 1 8.4570 0.0000 . 1 . . . . . 35 LEU HN . 51776 2 60 . 2 . 2 37 37 LEU N N 15 120.2840 0.0000 . 1 . . . . . 35 LEU N . 51776 2 61 . 2 . 2 38 38 ARG H H 1 8.0790 0.0000 . 1 . . . . . 36 ARG HN . 51776 2 62 . 2 . 2 38 38 ARG N N 15 118.5080 0.0000 . 1 . . . . . 36 ARG N . 51776 2 63 . 2 . 2 40 40 GLY H H 1 7.5850 0.0000 . 1 . . . . . 38 GLY HN . 51776 2 64 . 2 . 2 40 40 GLY N N 15 104.4200 0.0000 . 1 . . . . . 38 GLY N . 51776 2 65 . 2 . 2 41 41 ASN H H 1 7.9010 0.0000 . 1 . . . . . 39 ASN HN . 51776 2 66 . 2 . 2 41 41 ASN N N 15 115.6210 0.0000 . 1 . . . . . 39 ASN N . 51776 2 67 . 2 . 2 42 42 TYR H H 1 7.8140 0.0000 . 1 . . . . . 40 TYR HN . 51776 2 68 . 2 . 2 42 42 TYR N N 15 117.2680 0.0000 . 1 . . . . . 40 TYR N . 51776 2 69 . 2 . 2 43 43 SER H H 1 8.0860 0.0000 . 1 . . . . . 41 SER HN . 51776 2 70 . 2 . 2 43 43 SER N N 15 112.0520 0.0000 . 1 . . . . . 41 SER N . 51776 2 71 . 2 . 2 44 44 GLU H H 1 8.5810 0.0000 . 1 . . . . . 42 GLU HN . 51776 2 72 . 2 . 2 44 44 GLU N N 15 122.0940 0.0000 . 1 . . . . . 42 GLU N . 51776 2 73 . 2 . 2 45 45 ARG H H 1 8.1910 0.0000 . 1 . . . . . 43 ARG HN . 51776 2 74 . 2 . 2 45 45 ARG N N 15 116.2520 0.0000 . 1 . . . . . 43 ARG N . 51776 2 75 . 2 . 2 46 46 VAL H H 1 9.0360 0.0000 . 1 . . . . . 44 VAL HN . 51776 2 76 . 2 . 2 46 46 VAL N N 15 125.0810 0.0000 . 1 . . . . . 44 VAL N . 51776 2 77 . 2 . 2 47 47 GLY H H 1 9.0930 0.0000 . 1 . . . . . 45 GLY HN . 51776 2 78 . 2 . 2 47 47 GLY N N 15 116.1070 0.0000 . 1 . . . . . 45 GLY N . 51776 2 79 . 2 . 2 48 48 ALA H H 1 8.5870 0.0000 . 1 . . . . . 46 ALA HN . 51776 2 80 . 2 . 2 48 48 ALA N N 15 122.9780 0.0000 . 1 . . . . . 46 ALA N . 51776 2 81 . 2 . 2 49 49 GLY H H 1 8.6440 0.0000 . 1 . . . . . 47 GLY HN . 51776 2 82 . 2 . 2 49 49 GLY N N 15 104.5080 0.0000 . 1 . . . . . 47 GLY N . 51776 2 83 . 2 . 2 50 50 ALA H H 1 7.4920 0.0000 . 1 . . . . . 48 ALA HN . 51776 2 84 . 2 . 2 50 50 ALA N N 15 124.4680 0.0000 . 1 . . . . . 48 ALA N . 51776 2 85 . 2 . 2 52 52 VAL H H 1 6.1820 0.0000 . 1 . . . . . 50 VAL HN . 51776 2 86 . 2 . 2 52 52 VAL N N 15 118.5460 0.0000 . 1 . . . . . 50 VAL N . 51776 2 87 . 2 . 2 53 53 TYR H H 1 7.9470 0.0000 . 1 . . . . . 51 TYR HN . 51776 2 88 . 2 . 2 53 53 TYR N N 15 120.3820 0.0000 . 1 . . . . . 51 TYR N . 51776 2 89 . 2 . 2 54 54 LEU H H 1 8.3240 0.0000 . 1 . . . . . 52 LEU HN . 51776 2 90 . 2 . 2 54 54 LEU N N 15 115.7550 0.0000 . 1 . . . . . 52 LEU N . 51776 2 91 . 2 . 2 55 55 ALA H H 1 8.4180 0.0000 . 1 . . . . . 53 ALA HN . 51776 2 92 . 2 . 2 55 55 ALA N N 15 120.9310 0.0000 . 1 . . . . . 53 ALA N . 51776 2 93 . 2 . 2 56 56 ALA H H 1 7.8310 0.0000 . 1 . . . . . 54 ALA HN . 51776 2 94 . 2 . 2 56 56 ALA N N 15 118.6800 0.0000 . 1 . . . . . 54 ALA N . 51776 2 95 . 2 . 2 57 57 VAL H H 1 7.8940 0.0000 . 1 . . . . . 55 VAL HN . 51776 2 96 . 2 . 2 57 57 VAL N N 15 120.2180 0.0000 . 1 . . . . . 55 VAL N . 51776 2 97 . 2 . 2 58 58 LEU H H 1 8.3050 0.0000 . 1 . . . . . 56 LEU HN . 51776 2 98 . 2 . 2 58 58 LEU N N 15 118.4930 0.0000 . 1 . . . . . 56 LEU N . 51776 2 99 . 2 . 2 60 60 TYR H H 1 7.8910 0.0000 . 1 . . . . . 58 TYR HN . 51776 2 100 . 2 . 2 60 60 TYR N N 15 119.6240 0.0000 . 1 . . . . . 58 TYR N . 51776 2 101 . 2 . 2 61 61 LEU H H 1 8.0540 0.0000 . 1 . . . . . 59 LEU HN . 51776 2 102 . 2 . 2 61 61 LEU N N 15 117.7250 0.0000 . 1 . . . . . 59 LEU N . 51776 2 103 . 2 . 2 64 64 GLU H H 1 8.0490 0.0000 . 1 . . . . . 62 GLU HN . 51776 2 104 . 2 . 2 64 64 GLU N N 15 119.6810 0.0000 . 1 . . . . . 62 GLU N . 51776 2 105 . 2 . 2 65 65 ILE H H 1 8.0210 0.0000 . 1 . . . . . 63 ILE HN . 51776 2 106 . 2 . 2 65 65 ILE N N 15 117.9120 0.0000 . 1 . . . . . 63 ILE N . 51776 2 107 . 2 . 2 67 67 GLU H H 1 9.0300 0.0000 . 1 . . . . . 65 GLU HN . 51776 2 108 . 2 . 2 67 67 GLU N N 15 123.4120 0.0000 . 1 . . . . . 65 GLU N . 51776 2 109 . 2 . 2 68 68 LEU H H 1 7.6390 0.0000 . 1 . . . . . 66 LEU HN . 51776 2 110 . 2 . 2 68 68 LEU N N 15 119.5960 0.0000 . 1 . . . . . 66 LEU N . 51776 2 111 . 2 . 2 69 69 ALA H H 1 9.4640 0.0000 . 1 . . . . . 67 ALA HN . 51776 2 112 . 2 . 2 69 69 ALA N N 15 124.7820 0.0000 . 1 . . . . . 67 ALA N . 51776 2 113 . 2 . 2 70 70 GLY H H 1 8.8540 0.0000 . 1 . . . . . 68 GLY HN . 51776 2 114 . 2 . 2 70 70 GLY N N 15 105.6100 0.0000 . 1 . . . . . 68 GLY N . 51776 2 115 . 2 . 2 71 71 ASN H H 1 7.6160 0.0000 . 1 . . . . . 69 ASN HN . 51776 2 116 . 2 . 2 71 71 ASN N N 15 123.6820 0.0000 . 1 . . . . . 69 ASN N . 51776 2 117 . 2 . 2 72 72 ALA H H 1 7.4650 0.0000 . 1 . . . . . 70 ALA HN . 51776 2 118 . 2 . 2 72 72 ALA N N 15 123.3870 0.0000 . 1 . . . . . 70 ALA N . 51776 2 119 . 2 . 2 73 73 ALA H H 1 7.7300 0.0000 . 1 . . . . . 71 ALA HN . 51776 2 120 . 2 . 2 73 73 ALA N N 15 122.5460 0.0000 . 1 . . . . . 71 ALA N . 51776 2 121 . 2 . 2 74 74 ARG H H 1 7.7010 0.0000 . 1 . . . . . 72 ARG HN . 51776 2 122 . 2 . 2 74 74 ARG N N 15 119.5680 0.0000 . 1 . . . . . 72 ARG N . 51776 2 123 . 2 . 2 75 75 ASP H H 1 8.4820 0.0000 . 1 . . . . . 73 ASP HN . 51776 2 124 . 2 . 2 75 75 ASP N N 15 122.8360 0.0000 . 1 . . . . . 73 ASP N . 51776 2 125 . 2 . 2 76 76 ASN H H 1 7.3780 0.0000 . 1 . . . . . 74 ASN HN . 51776 2 126 . 2 . 2 76 76 ASN N N 15 117.2390 0.0000 . 1 . . . . . 74 ASN N . 51776 2 127 . 2 . 2 77 77 LYS H H 1 8.1110 0.0000 . 1 . . . . . 75 LYS HN . 51776 2 128 . 2 . 2 77 77 LYS N N 15 115.6590 0.0000 . 1 . . . . . 75 LYS N . 51776 2 129 . 2 . 2 78 78 LYS H H 1 8.1690 0.0000 . 1 . . . . . 76 LYS HN . 51776 2 130 . 2 . 2 78 78 LYS N N 15 117.3910 0.0000 . 1 . . . . . 76 LYS N . 51776 2 131 . 2 . 2 79 79 THR H H 1 8.5040 0.0000 . 1 . . . . . 77 THR HN . 51776 2 132 . 2 . 2 79 79 THR N N 15 110.0440 0.0000 . 1 . . . . . 77 THR N . 51776 2 133 . 2 . 2 80 80 GLU H H 1 7.1020 0.0000 . 1 . . . . . 78 GLU HN . 51776 2 134 . 2 . 2 80 80 GLU N N 15 120.5290 0.0000 . 1 . . . . . 78 GLU N . 51776 2 135 . 2 . 2 81 81 ILE H H 1 8.4660 0.0000 . 1 . . . . . 79 ILE HN . 51776 2 136 . 2 . 2 81 81 ILE N N 15 125.5500 0.0000 . 1 . . . . . 79 ILE N . 51776 2 137 . 2 . 2 82 82 ILE H H 1 8.9820 0.0000 . 1 . . . . . 80 ILE HN . 51776 2 138 . 2 . 2 82 82 ILE N N 15 125.0020 0.0000 . 1 . . . . . 80 ILE N . 51776 2 139 . 2 . 2 84 84 ARG H H 1 8.4310 0.0000 . 1 . . . . . 82 ARG HN . 51776 2 140 . 2 . 2 84 84 ARG N N 15 116.2590 0.0000 . 1 . . . . . 82 ARG N . 51776 2 141 . 2 . 2 85 85 HIS H H 1 7.3570 0.0000 . 1 . . . . . 83 HIS HN . 51776 2 142 . 2 . 2 85 85 HIS N N 15 118.1090 0.0000 . 1 . . . . . 83 HIS N . 51776 2 143 . 2 . 2 86 86 LEU H H 1 7.1330 0.0000 . 1 . . . . . 84 LEU HN . 51776 2 144 . 2 . 2 86 86 LEU N N 15 117.1600 0.0000 . 1 . . . . . 84 LEU N . 51776 2 145 . 2 . 2 87 87 GLN H H 1 8.0910 0.0000 . 1 . . . . . 85 GLN HN . 51776 2 146 . 2 . 2 87 87 GLN N N 15 116.8190 0.0000 . 1 . . . . . 85 GLN N . 51776 2 147 . 2 . 2 88 88 LEU H H 1 8.1550 0.0000 . 1 . . . . . 86 LEU HN . 51776 2 148 . 2 . 2 88 88 LEU N N 15 119.7590 0.0000 . 1 . . . . . 86 LEU N . 51776 2 149 . 2 . 2 89 89 ALA H H 1 7.7950 0.0000 . 1 . . . . . 87 ALA HN . 51776 2 150 . 2 . 2 89 89 ALA N N 15 120.0300 0.0000 . 1 . . . . . 87 ALA N . 51776 2 151 . 2 . 2 90 90 ILE H H 1 7.5960 0.0000 . 1 . . . . . 88 ILE HN . 51776 2 152 . 2 . 2 90 90 ILE N N 15 113.8980 0.0000 . 1 . . . . . 88 ILE N . 51776 2 153 . 2 . 2 91 91 ARG H H 1 7.8580 0.0000 . 1 . . . . . 89 ARG HN . 51776 2 154 . 2 . 2 91 91 ARG N N 15 114.9930 0.0000 . 1 . . . . . 89 ARG N . 51776 2 155 . 2 . 2 92 92 ASN H H 1 7.7070 0.0000 . 1 . . . . . 90 ASN HN . 51776 2 156 . 2 . 2 92 92 ASN N N 15 113.5880 0.0000 . 1 . . . . . 90 ASN N . 51776 2 157 . 2 . 2 93 93 ASP H H 1 7.3270 0.0000 . 1 . . . . . 91 ASP HN . 51776 2 158 . 2 . 2 93 93 ASP N N 15 122.6200 0.0000 . 1 . . . . . 91 ASP N . 51776 2 159 . 2 . 2 94 94 GLU H H 1 8.8610 0.0000 . 1 . . . . . 92 GLU HN . 51776 2 160 . 2 . 2 94 94 GLU N N 15 126.5590 0.0000 . 1 . . . . . 92 GLU N . 51776 2 161 . 2 . 2 95 95 GLU H H 1 8.1290 0.0000 . 1 . . . . . 93 GLU HN . 51776 2 162 . 2 . 2 95 95 GLU N N 15 117.8590 0.0000 . 1 . . . . . 93 GLU N . 51776 2 163 . 2 . 2 96 96 LEU H H 1 9.2230 0.0000 . 1 . . . . . 94 LEU HN . 51776 2 164 . 2 . 2 96 96 LEU N N 15 121.3420 0.0000 . 1 . . . . . 94 LEU N . 51776 2 165 . 2 . 2 97 97 ASN H H 1 9.0290 0.0000 . 1 . . . . . 95 ASN HN . 51776 2 166 . 2 . 2 97 97 ASN N N 15 119.4510 0.0000 . 1 . . . . . 95 ASN N . 51776 2 167 . 2 . 2 98 98 LYS H H 1 7.5980 0.0000 . 1 . . . . . 96 LYS HN . 51776 2 168 . 2 . 2 98 98 LYS N N 15 119.8380 0.0000 . 1 . . . . . 96 LYS N . 51776 2 169 . 2 . 2 99 99 LEU H H 1 7.8810 0.0000 . 1 . . . . . 97 LEU HN . 51776 2 170 . 2 . 2 99 99 LEU N N 15 119.2330 0.0000 . 1 . . . . . 97 LEU N . 51776 2 171 . 2 . 2 100 100 LEU H H 1 8.7010 0.0000 . 1 . . . . . 98 LEU HN . 51776 2 172 . 2 . 2 100 100 LEU N N 15 116.1090 0.0000 . 1 . . . . . 98 LEU N . 51776 2 173 . 2 . 2 101 101 GLY H H 1 8.0530 0.0000 . 1 . . . . . 99 GLY HN . 51776 2 174 . 2 . 2 101 101 GLY N N 15 110.0800 0.0000 . 1 . . . . . 99 GLY N . 51776 2 175 . 2 . 2 102 102 ARG H H 1 8.1710 0.0000 . 1 . . . . . 100 ARG HN . 51776 2 176 . 2 . 2 102 102 ARG N N 15 118.7960 0.0000 . 1 . . . . . 100 ARG N . 51776 2 177 . 2 . 2 103 103 VAL H H 1 7.8300 0.0000 . 1 . . . . . 101 VAL HN . 51776 2 178 . 2 . 2 103 103 VAL N N 15 121.2530 0.0000 . 1 . . . . . 101 VAL N . 51776 2 179 . 2 . 2 104 104 THR H H 1 8.3170 0.0000 . 1 . . . . . 102 THR HN . 51776 2 180 . 2 . 2 104 104 THR N N 15 120.0300 0.0000 . 1 . . . . . 102 THR N . 51776 2 181 . 2 . 2 105 105 ILE H H 1 8.2330 0.0000 . 1 . . . . . 103 ILE HN . 51776 2 182 . 2 . 2 105 105 ILE N N 15 124.0820 0.0000 . 1 . . . . . 103 ILE N . 51776 2 183 . 2 . 2 106 106 ALA H H 1 8.2530 0.0000 . 1 . . . . . 104 ALA HN . 51776 2 184 . 2 . 2 106 106 ALA N N 15 127.4760 0.0000 . 1 . . . . . 104 ALA N . 51776 2 185 . 2 . 2 107 107 GLN H H 1 8.3000 0.0000 . 1 . . . . . 105 GLN HN . 51776 2 186 . 2 . 2 107 107 GLN N N 15 119.7550 0.0000 . 1 . . . . . 105 GLN N . 51776 2 187 . 2 . 2 108 108 GLY H H 1 8.3680 0.0000 . 1 . . . . . 106 GLY HN . 51776 2 188 . 2 . 2 108 108 GLY N N 15 110.0930 0.0000 . 1 . . . . . 106 GLY N . 51776 2 189 . 2 . 2 109 109 GLY H H 1 8.2150 0.0000 . 1 . . . . . 107 GLY HN . 51776 2 190 . 2 . 2 109 109 GLY N N 15 109.1190 0.0000 . 1 . . . . . 107 GLY N . 51776 2 191 . 2 . 2 110 110 VAL H H 1 7.9670 0.0000 . 1 . . . . . 108 VAL HN . 51776 2 192 . 2 . 2 110 110 VAL N N 15 119.2920 0.0000 . 1 . . . . . 108 VAL N . 51776 2 193 . 2 . 2 111 111 LEU H H 1 8.3440 0.0000 . 1 . . . . . 109 LEU HN . 51776 2 194 . 2 . 2 111 111 LEU N N 15 127.5530 0.0000 . 1 . . . . . 109 LEU N . 51776 2 195 . 2 . 2 113 113 ASN H H 1 8.4300 0.0000 . 1 . . . . . 111 ASN HN . 51776 2 196 . 2 . 2 113 113 ASN N N 15 118.9760 0.0000 . 1 . . . . . 111 ASN N . 51776 2 197 . 2 . 2 114 114 ILE H H 1 8.0650 0.0000 . 1 . . . . . 112 ILE HN . 51776 2 198 . 2 . 2 114 114 ILE N N 15 121.5920 0.0000 . 1 . . . . . 112 ILE N . 51776 2 199 . 2 . 2 115 115 GLN H H 1 8.3570 0.0000 . 1 . . . . . 113 GLN HN . 51776 2 200 . 2 . 2 115 115 GLN N N 15 124.0530 0.0000 . 1 . . . . . 113 GLN N . 51776 2 201 . 2 . 2 116 116 ALA H H 1 8.2170 0.0000 . 1 . . . . . 114 ALA HN . 51776 2 202 . 2 . 2 116 116 ALA N N 15 125.7000 0.0000 . 1 . . . . . 114 ALA N . 51776 2 203 . 2 . 2 117 117 VAL H H 1 8.0020 0.0000 . 1 . . . . . 115 VAL HN . 51776 2 204 . 2 . 2 117 117 VAL N N 15 119.9500 0.0000 . 1 . . . . . 115 VAL N . 51776 2 205 . 2 . 2 118 118 LEU H H 1 8.2090 0.0000 . 1 . . . . . 116 LEU HN . 51776 2 206 . 2 . 2 118 118 LEU N N 15 126.2780 0.0000 . 1 . . . . . 116 LEU N . 51776 2 207 . 2 . 2 119 119 LEU H H 1 8.1700 0.0000 . 1 . . . . . 117 LEU HN . 51776 2 208 . 2 . 2 119 119 LEU N N 15 125.3090 0.0000 . 1 . . . . . 117 LEU N . 51776 2 209 . 2 . 2 121 121 LYS H H 1 8.3630 0.0000 . 1 . . . . . 119 LYS HN . 51776 2 210 . 2 . 2 121 121 LYS N N 15 122.5180 0.0000 . 1 . . . . . 119 LYS N . 51776 2 211 . 2 . 2 122 122 LYS H H 1 8.4190 0.0000 . 1 . . . . . 120 LYS HN . 51776 2 212 . 2 . 2 122 122 LYS N N 15 123.8700 0.0000 . 1 . . . . . 120 LYS N . 51776 2 213 . 2 . 2 123 123 THR H H 1 8.2140 0.0000 . 1 . . . . . 121 THR HN . 51776 2 214 . 2 . 2 123 123 THR N N 15 116.8570 0.0000 . 1 . . . . . 121 THR N . 51776 2 215 . 2 . 2 124 124 GLU H H 1 8.4490 0.0000 . 1 . . . . . 122 GLU HN . 51776 2 216 . 2 . 2 124 124 GLU N N 15 124.2620 0.0000 . 1 . . . . . 122 GLU N . 51776 2 217 . 2 . 2 125 125 SER H H 1 8.3720 0.0000 . 1 . . . . . 123 SER HN . 51776 2 218 . 2 . 2 125 125 SER N N 15 117.7970 0.0000 . 1 . . . . . 123 SER N . 51776 2 219 . 2 . 2 126 126 HIS H H 1 8.4730 0.0000 . 1 . . . . . 124 HIS HN . 51776 2 220 . 2 . 2 126 126 HIS N N 15 121.2590 0.0000 . 1 . . . . . 124 HIS N . 51776 2 221 . 2 . 2 128 128 LYS H H 1 8.3710 0.0000 . 1 . . . . . 126 LYS HN . 51776 2 222 . 2 . 2 128 128 LYS N N 15 124.1420 0.0000 . 1 . . . . . 126 LYS N . 51776 2 223 . 2 . 2 129 129 ALA H H 1 8.3920 0.0000 . 1 . . . . . 127 ALA HN . 51776 2 224 . 2 . 2 129 129 ALA N N 15 126.5160 0.0000 . 1 . . . . . 127 ALA N . 51776 2 225 . 2 . 2 130 130 LYS H H 1 8.3470 0.0000 . 1 . . . . . 128 LYS HN . 51776 2 226 . 2 . 2 130 130 LYS N N 15 121.5830 0.0000 . 1 . . . . . 128 LYS N . 51776 2 227 . 2 . 2 131 131 GLY H H 1 8.4120 0.0000 . 1 . . . . . 129 GLY HN . 51776 2 228 . 2 . 2 131 131 GLY N N 15 111.4870 0.0000 . 1 . . . . . 129 GLY N . 51776 2 229 . 2 . 2 132 132 LYS H H 1 7.8190 0.0000 . 1 . . . . . 130 LYS HN . 51776 2 230 . 2 . 2 132 132 LYS N N 15 126.3730 0.0000 . 1 . . . . . 130 LYS N . 51776 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51776 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'H2B 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 2 '2D 1H-15N TROSY' . . . 51776 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51776 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 . 3 4 4 GLY H H 1 8.5660 0.0000 . 1 . . . . . -1 GLY HN . 51776 3 2 . 3 . 3 4 4 GLY N N 15 110.3560 0.0000 . 1 . . . . . -1 GLY N . 51776 3 3 . 3 . 3 5 5 MET H H 1 8.1300 0.0000 . 1 . . . . . 0 MET HN . 51776 3 4 . 3 . 3 5 5 MET N N 15 121.4960 0.0000 . 1 . . . . . 0 MET N . 51776 3 5 . 3 . 3 7 7 GLU H H 1 8.4630 0.0000 . 1 . . . . . 2 GLU HN . 51776 3 6 . 3 . 3 7 7 GLU N N 15 123.0990 0.0000 . 1 . . . . . 2 GLU N . 51776 3 7 . 3 . 3 9 9 ALA H H 1 8.3850 0.0000 . 1 . . . . . 4 ALA HN . 51776 3 8 . 3 . 3 9 9 ALA N N 15 124.5020 0.0000 . 1 . . . . . 4 ALA N . 51776 3 9 . 3 . 3 10 10 LYS H H 1 8.3080 0.0000 . 1 . . . . . 5 LYS HN . 51776 3 10 . 3 . 3 10 10 LYS N N 15 121.1890 0.0000 . 1 . . . . . 5 LYS N . 51776 3 11 . 3 . 3 11 11 SER H H 1 8.2320 0.0000 . 1 . . . . . 6 SER HN . 51776 3 12 . 3 . 3 11 11 SER N N 15 117.3840 0.0000 . 1 . . . . . 6 SER N . 51776 3 13 . 3 . 3 12 12 ALA H H 1 8.2940 0.0000 . 1 . . . . . 7 ALA HN . 51776 3 14 . 3 . 3 12 12 ALA N N 15 127.4850 0.0000 . 1 . . . . . 7 ALA N . 51776 3 15 . 3 . 3 14 14 ALA H H 1 8.3780 0.0000 . 1 . . . . . 9 ALA HN . 51776 3 16 . 3 . 3 14 14 ALA N N 15 126.1790 0.0000 . 1 . . . . . 9 ALA N . 51776 3 17 . 3 . 3 16 16 LYS H H 1 8.4170 0.0000 . 1 . . . . . 11 LYS HN . 51776 3 18 . 3 . 3 16 16 LYS N N 15 122.4930 0.0000 . 1 . . . . . 11 LYS N . 51776 3 19 . 3 . 3 17 17 LYS H H 1 8.4260 0.0000 . 1 . . . . . 12 LYS HN . 51776 3 20 . 3 . 3 17 17 LYS N N 15 123.7720 0.0000 . 1 . . . . . 12 LYS N . 51776 3 21 . 3 . 3 18 18 GLY H H 1 8.4830 0.0000 . 1 . . . . . 13 GLY HN . 51776 3 22 . 3 . 3 18 18 GLY N N 15 111.1580 0.0000 . 1 . . . . . 13 GLY N . 51776 3 23 . 3 . 3 19 19 SER H H 1 8.1890 0.0000 . 1 . . . . . 14 SER HN . 51776 3 24 . 3 . 3 19 19 SER N N 15 116.1480 0.0000 . 1 . . . . . 14 SER N . 51776 3 25 . 3 . 3 20 20 LYS H H 1 8.4200 0.0000 . 1 . . . . . 15 LYS HN . 51776 3 26 . 3 . 3 20 20 LYS N N 15 123.7610 0.0000 . 1 . . . . . 15 LYS N . 51776 3 27 . 3 . 3 21 21 LYS H H 1 8.2920 0.0000 . 1 . . . . . 16 LYS HN . 51776 3 28 . 3 . 3 21 21 LYS N N 15 123.4450 0.0000 . 1 . . . . . 16 LYS N . 51776 3 29 . 3 . 3 22 22 ALA H H 1 8.3160 0.0000 . 1 . . . . . 17 ALA HN . 51776 3 30 . 3 . 3 22 22 ALA N N 15 126.2770 0.0000 . 1 . . . . . 17 ALA N . 51776 3 31 . 3 . 3 23 23 VAL H H 1 8.1750 0.0000 . 1 . . . . . 18 VAL HN . 51776 3 32 . 3 . 3 23 23 VAL N N 15 120.4960 0.0000 . 1 . . . . . 18 VAL N . 51776 3 33 . 3 . 3 24 24 THR H H 1 8.2320 0.0000 . 1 . . . . . 19 THR HN . 51776 3 34 . 3 . 3 24 24 THR N N 15 119.0790 0.0000 . 1 . . . . . 19 THR N . 51776 3 35 . 3 . 3 25 25 LYS H H 1 8.3660 0.0000 . 1 . . . . . 20 LYS HN . 51776 3 36 . 3 . 3 25 25 LYS N N 15 124.5430 0.0000 . 1 . . . . . 20 LYS N . 51776 3 37 . 3 . 3 26 26 ALA H H 1 8.3000 0.0000 . 1 . . . . . 21 ALA HN . 51776 3 38 . 3 . 3 26 26 ALA N N 15 125.4740 0.0000 . 1 . . . . . 21 ALA N . 51776 3 39 . 3 . 3 27 27 GLN H H 1 8.2990 0.0000 . 1 . . . . . 22 GLN HN . 51776 3 40 . 3 . 3 27 27 GLN N N 15 120.3230 0.0000 . 1 . . . . . 22 GLN N . 51776 3 41 . 3 . 3 28 28 LYS H H 1 8.3580 0.0000 . 1 . . . . . 23 LYS HN . 51776 3 42 . 3 . 3 28 28 LYS N N 15 123.5870 0.0000 . 1 . . . . . 23 LYS N . 51776 3 43 . 3 . 3 29 29 LYS H H 1 8.4110 0.0000 . 1 . . . . . 24 LYS HN . 51776 3 44 . 3 . 3 29 29 LYS N N 15 123.8690 0.0000 . 1 . . . . . 24 LYS N . 51776 3 45 . 3 . 3 30 30 ASP H H 1 8.3230 0.0000 . 1 . . . . . 25 ASP HN . 51776 3 46 . 3 . 3 30 30 ASP N N 15 121.7680 0.0000 . 1 . . . . . 25 ASP N . 51776 3 47 . 3 . 3 31 31 GLY H H 1 8.3120 0.0000 . 1 . . . . . 26 GLY HN . 51776 3 48 . 3 . 3 31 31 GLY N N 15 109.7150 0.0000 . 1 . . . . . 26 GLY N . 51776 3 49 . 3 . 3 32 32 LYS H H 1 8.1630 0.0000 . 1 . . . . . 27 LYS HN . 51776 3 50 . 3 . 3 32 32 LYS N N 15 121.2460 0.0000 . 1 . . . . . 27 LYS N . 51776 3 51 . 3 . 3 33 33 LYS H H 1 8.2770 0.0000 . 1 . . . . . 28 LYS HN . 51776 3 52 . 3 . 3 33 33 LYS N N 15 122.7250 0.0000 . 1 . . . . . 28 LYS N . 51776 3 53 . 3 . 3 34 34 ARG H H 1 8.4210 0.0000 . 1 . . . . . 29 ARG HN . 51776 3 54 . 3 . 3 34 34 ARG N N 15 123.3360 0.0000 . 1 . . . . . 29 ARG N . 51776 3 55 . 3 . 3 35 35 LYS H H 1 8.2960 0.0000 . 1 . . . . . 30 LYS HN . 51776 3 56 . 3 . 3 35 35 LYS N N 15 122.6480 0.0000 . 1 . . . . . 30 LYS N . 51776 3 57 . 3 . 3 36 36 ARG H H 1 8.3370 0.0000 . 1 . . . . . 31 ARG HN . 51776 3 58 . 3 . 3 36 36 ARG N N 15 123.1510 0.0000 . 1 . . . . . 31 ARG N . 51776 3 59 . 3 . 3 37 37 SER H H 1 8.4370 0.0000 . 1 . . . . . 32 SER HN . 51776 3 60 . 3 . 3 37 37 SER N N 15 118.1930 0.0000 . 1 . . . . . 32 SER N . 51776 3 61 . 3 . 3 38 38 ARG H H 1 8.4710 0.0000 . 1 . . . . . 33 ARG HN . 51776 3 62 . 3 . 3 38 38 ARG N N 15 123.9200 0.0000 . 1 . . . . . 33 ARG N . 51776 3 63 . 3 . 3 39 39 LYS H H 1 8.4090 0.0000 . 1 . . . . . 34 LYS HN . 51776 3 64 . 3 . 3 39 39 LYS N N 15 123.9060 0.0000 . 1 . . . . . 34 LYS N . 51776 3 65 . 3 . 3 40 40 GLU H H 1 8.2350 0.0000 . 1 . . . . . 35 GLU HN . 51776 3 66 . 3 . 3 40 40 GLU N N 15 122.9110 0.0000 . 1 . . . . . 35 GLU N . 51776 3 67 . 3 . 3 41 41 SER H H 1 8.5520 0.0000 . 1 . . . . . 36 SER HN . 51776 3 68 . 3 . 3 41 41 SER N N 15 116.9370 0.0000 . 1 . . . . . 36 SER N . 51776 3 69 . 3 . 3 47 47 TYR H H 1 8.2880 0.0000 . 1 . . . . . 42 TYR HN . 51776 3 70 . 3 . 3 47 47 TYR N N 15 118.3920 0.0000 . 1 . . . . . 42 TYR N . 51776 3 71 . 3 . 3 48 48 LYS H H 1 7.5110 0.0000 . 1 . . . . . 43 LYS HN . 51776 3 72 . 3 . 3 48 48 LYS N N 15 117.6720 0.0000 . 1 . . . . . 43 LYS N . 51776 3 73 . 3 . 3 49 49 VAL H H 1 7.9250 0.0000 . 1 . . . . . 44 VAL HN . 51776 3 74 . 3 . 3 49 49 VAL N N 15 120.0730 0.0000 . 1 . . . . . 44 VAL N . 51776 3 75 . 3 . 3 50 50 LEU H H 1 8.5200 0.0000 . 1 . . . . . 45 LEU HN . 51776 3 76 . 3 . 3 50 50 LEU N N 15 121.9560 0.0000 . 1 . . . . . 45 LEU N . 51776 3 77 . 3 . 3 51 51 LYS H H 1 7.7450 0.0000 . 1 . . . . . 46 LYS HN . 51776 3 78 . 3 . 3 51 51 LYS N N 15 114.5720 0.0000 . 1 . . . . . 46 LYS N . 51776 3 79 . 3 . 3 52 52 GLN H H 1 7.3120 0.0000 . 1 . . . . . 47 GLN HN . 51776 3 80 . 3 . 3 52 52 GLN N N 15 115.7020 0.0000 . 1 . . . . . 47 GLN N . 51776 3 81 . 3 . 3 53 53 VAL H H 1 7.6630 0.0000 . 1 . . . . . 48 VAL HN . 51776 3 82 . 3 . 3 53 53 VAL N N 15 113.6290 0.0000 . 1 . . . . . 48 VAL N . 51776 3 83 . 3 . 3 54 54 HIS H H 1 8.9390 0.0000 . 1 . . . . . 49 HIS HN . 51776 3 84 . 3 . 3 54 54 HIS N N 15 118.7760 0.0000 . 1 . . . . . 49 HIS N . 51776 3 85 . 3 . 3 56 56 ASP H H 1 8.3380 0.0000 . 1 . . . . . 51 ASP HN . 51776 3 86 . 3 . 3 56 56 ASP N N 15 115.8020 0.0000 . 1 . . . . . 51 ASP N . 51776 3 87 . 3 . 3 57 57 THR H H 1 7.8320 0.0000 . 1 . . . . . 52 THR HN . 51776 3 88 . 3 . 3 57 57 THR N N 15 119.0630 0.0000 . 1 . . . . . 52 THR N . 51776 3 89 . 3 . 3 58 58 GLY H H 1 8.6590 0.0000 . 1 . . . . . 53 GLY HN . 51776 3 90 . 3 . 3 58 58 GLY N N 15 113.6830 0.0000 . 1 . . . . . 53 GLY N . 51776 3 91 . 3 . 3 59 59 ILE H H 1 8.7080 0.0000 . 1 . . . . . 54 ILE HN . 51776 3 92 . 3 . 3 59 59 ILE N N 15 118.1090 0.0000 . 1 . . . . . 54 ILE N . 51776 3 93 . 3 . 3 60 60 SER H H 1 8.9340 0.0000 . 1 . . . . . 55 SER HN . 51776 3 94 . 3 . 3 60 60 SER N N 15 125.5990 0.0000 . 1 . . . . . 55 SER N . 51776 3 95 . 3 . 3 61 61 SER H H 1 9.2690 0.0000 . 1 . . . . . 56 SER HN . 51776 3 96 . 3 . 3 61 61 SER N N 15 118.4530 0.0000 . 1 . . . . . 56 SER N . 51776 3 97 . 3 . 3 63 63 ALA H H 1 7.6470 0.0000 . 1 . . . . . 58 ALA HN . 51776 3 98 . 3 . 3 63 63 ALA N N 15 121.8700 0.0000 . 1 . . . . . 58 ALA N . 51776 3 99 . 3 . 3 64 64 MET H H 1 8.8390 0.0000 . 1 . . . . . 59 MET HN . 51776 3 100 . 3 . 3 64 64 MET N N 15 120.4330 0.0000 . 1 . . . . . 59 MET N . 51776 3 101 . 3 . 3 65 65 GLY H H 1 7.9790 0.0000 . 1 . . . . . 60 GLY HN . 51776 3 102 . 3 . 3 65 65 GLY N N 15 107.5760 0.0000 . 1 . . . . . 60 GLY N . 51776 3 103 . 3 . 3 66 66 ILE H H 1 7.3050 0.0000 . 1 . . . . . 61 ILE HN . 51776 3 104 . 3 . 3 66 66 ILE N N 15 123.9800 0.0000 . 1 . . . . . 61 ILE N . 51776 3 105 . 3 . 3 67 67 MET H H 1 7.9940 0.0000 . 1 . . . . . 62 MET HN . 51776 3 106 . 3 . 3 67 67 MET N N 15 118.4290 0.0000 . 1 . . . . . 62 MET N . 51776 3 107 . 3 . 3 68 68 ASN H H 1 8.5710 0.0000 . 1 . . . . . 63 ASN HN . 51776 3 108 . 3 . 3 68 68 ASN N N 15 117.6050 0.0000 . 1 . . . . . 63 ASN N . 51776 3 109 . 3 . 3 69 69 SER H H 1 8.0340 0.0000 . 1 . . . . . 64 SER HN . 51776 3 110 . 3 . 3 69 69 SER N N 15 118.7780 0.0000 . 1 . . . . . 64 SER N . 51776 3 111 . 3 . 3 70 70 PHE H H 1 8.4470 0.0000 . 1 . . . . . 65 PHE HN . 51776 3 112 . 3 . 3 70 70 PHE N N 15 122.4540 0.0000 . 1 . . . . . 65 PHE N . 51776 3 113 . 3 . 3 71 71 VAL H H 1 8.4420 0.0000 . 1 . . . . . 66 VAL HN . 51776 3 114 . 3 . 3 71 71 VAL N N 15 118.6020 0.0000 . 1 . . . . . 66 VAL N . 51776 3 115 . 3 . 3 72 72 ASN H H 1 8.0930 0.0000 . 1 . . . . . 67 ASN HN . 51776 3 116 . 3 . 3 72 72 ASN N N 15 115.6650 0.0000 . 1 . . . . . 67 ASN N . 51776 3 117 . 3 . 3 73 73 ASP H H 1 8.1900 0.0000 . 1 . . . . . 68 ASP HN . 51776 3 118 . 3 . 3 73 73 ASP N N 15 120.1400 0.0000 . 1 . . . . . 68 ASP N . 51776 3 119 . 3 . 3 74 74 ILE H H 1 8.3760 0.0000 . 1 . . . . . 69 ILE HN . 51776 3 120 . 3 . 3 74 74 ILE N N 15 118.4830 0.0000 . 1 . . . . . 69 ILE N . 51776 3 121 . 3 . 3 75 75 PHE H H 1 8.6270 0.0000 . 1 . . . . . 70 PHE HN . 51776 3 122 . 3 . 3 75 75 PHE N N 15 120.1230 0.0000 . 1 . . . . . 70 PHE N . 51776 3 123 . 3 . 3 76 76 GLU H H 1 8.4320 0.0000 . 1 . . . . . 71 GLU HN . 51776 3 124 . 3 . 3 76 76 GLU N N 15 117.7140 0.0000 . 1 . . . . . 71 GLU N . 51776 3 125 . 3 . 3 77 77 ARG H H 1 8.4390 0.0000 . 1 . . . . . 72 ARG HN . 51776 3 126 . 3 . 3 77 77 ARG N N 15 119.9340 0.0000 . 1 . . . . . 72 ARG N . 51776 3 127 . 3 . 3 78 78 ILE H H 1 8.2740 0.0000 . 1 . . . . . 73 ILE HN . 51776 3 128 . 3 . 3 78 78 ILE N N 15 119.2610 0.0000 . 1 . . . . . 73 ILE N . 51776 3 129 . 3 . 3 79 79 ALA H H 1 8.7290 0.0000 . 1 . . . . . 74 ALA HN . 51776 3 130 . 3 . 3 79 79 ALA N N 15 122.2910 0.0000 . 1 . . . . . 74 ALA N . 51776 3 131 . 3 . 3 80 80 GLY H H 1 8.1100 0.0000 . 1 . . . . . 75 GLY HN . 51776 3 132 . 3 . 3 80 80 GLY N N 15 103.7170 0.0000 . 1 . . . . . 75 GLY N . 51776 3 133 . 3 . 3 81 81 GLU H H 1 7.5900 0.0000 . 1 . . . . . 76 GLU HN . 51776 3 134 . 3 . 3 81 81 GLU N N 15 124.1550 0.0000 . 1 . . . . . 76 GLU N . 51776 3 135 . 3 . 3 82 82 ALA H H 1 8.7730 0.0000 . 1 . . . . . 77 ALA HN . 51776 3 136 . 3 . 3 82 82 ALA N N 15 121.9710 0.0000 . 1 . . . . . 77 ALA N . 51776 3 137 . 3 . 3 83 83 SER H H 1 8.2300 0.0000 . 1 . . . . . 78 SER HN . 51776 3 138 . 3 . 3 83 83 SER N N 15 111.0900 0.0000 . 1 . . . . . 78 SER N . 51776 3 139 . 3 . 3 84 84 ARG H H 1 7.8300 0.0000 . 1 . . . . . 79 ARG HN . 51776 3 140 . 3 . 3 84 84 ARG N N 15 123.0260 0.0000 . 1 . . . . . 79 ARG N . 51776 3 141 . 3 . 3 85 85 LEU H H 1 8.3690 0.0000 . 1 . . . . . 80 LEU HN . 51776 3 142 . 3 . 3 85 85 LEU N N 15 120.0030 0.0000 . 1 . . . . . 80 LEU N . 51776 3 143 . 3 . 3 87 87 HIS H H 1 8.0420 0.0000 . 1 . . . . . 82 HIS HN . 51776 3 144 . 3 . 3 87 87 HIS N N 15 114.7340 0.0000 . 1 . . . . . 82 HIS N . 51776 3 145 . 3 . 3 89 89 ASN H H 1 7.6360 0.0000 . 1 . . . . . 84 ASN HN . 51776 3 146 . 3 . 3 89 89 ASN N N 15 115.6440 0.0000 . 1 . . . . . 84 ASN N . 51776 3 147 . 3 . 3 91 91 ARG H H 1 8.3860 0.0000 . 1 . . . . . 86 ARG HN . 51776 3 148 . 3 . 3 91 91 ARG N N 15 117.8940 0.0000 . 1 . . . . . 86 ARG N . 51776 3 149 . 3 . 3 92 92 SER H H 1 8.5450 0.0000 . 1 . . . . . 87 SER HN . 51776 3 150 . 3 . 3 92 92 SER N N 15 118.0090 0.0000 . 1 . . . . . 87 SER N . 51776 3 151 . 3 . 3 93 93 THR H H 1 7.5470 0.0000 . 1 . . . . . 88 THR HN . 51776 3 152 . 3 . 3 93 93 THR N N 15 116.5110 0.0000 . 1 . . . . . 88 THR N . 51776 3 153 . 3 . 3 94 94 ILE H H 1 7.6880 0.0000 . 1 . . . . . 89 ILE HN . 51776 3 154 . 3 . 3 94 94 ILE N N 15 124.1290 0.0000 . 1 . . . . . 89 ILE N . 51776 3 155 . 3 . 3 95 95 THR H H 1 9.2880 0.0000 . 1 . . . . . 90 THR HN . 51776 3 156 . 3 . 3 95 95 THR N N 15 121.0040 0.0000 . 1 . . . . . 90 THR N . 51776 3 157 . 3 . 3 96 96 SER H H 1 9.0660 0.0000 . 1 . . . . . 91 SER HN . 51776 3 158 . 3 . 3 96 96 SER N N 15 116.8840 0.0000 . 1 . . . . . 91 SER N . 51776 3 159 . 3 . 3 97 97 ARG H H 1 7.8140 0.0000 . 1 . . . . . 92 ARG HN . 51776 3 160 . 3 . 3 97 97 ARG N N 15 122.1900 0.0000 . 1 . . . . . 92 ARG N . 51776 3 161 . 3 . 3 98 98 GLU H H 1 7.4340 0.0000 . 1 . . . . . 93 GLU HN . 51776 3 162 . 3 . 3 98 98 GLU N N 15 119.2860 0.0000 . 1 . . . . . 93 GLU N . 51776 3 163 . 3 . 3 99 99 ILE H H 1 7.1190 0.0000 . 1 . . . . . 94 ILE HN . 51776 3 164 . 3 . 3 99 99 ILE N N 15 116.2100 0.0000 . 1 . . . . . 94 ILE N . 51776 3 165 . 3 . 3 100 100 GLN H H 1 7.9040 0.0000 . 1 . . . . . 95 GLN HN . 51776 3 166 . 3 . 3 100 100 GLN N N 15 119.5430 0.0000 . 1 . . . . . 95 GLN N . 51776 3 167 . 3 . 3 101 101 THR H H 1 8.1280 0.0000 . 1 . . . . . 96 THR HN . 51776 3 168 . 3 . 3 101 101 THR N N 15 115.7250 0.0000 . 1 . . . . . 96 THR N . 51776 3 169 . 3 . 3 102 102 ALA H H 1 7.8810 0.0000 . 1 . . . . . 97 ALA HN . 51776 3 170 . 3 . 3 102 102 ALA N N 15 123.1060 0.0000 . 1 . . . . . 97 ALA N . 51776 3 171 . 3 . 3 103 103 VAL H H 1 8.4520 0.0000 . 1 . . . . . 98 VAL HN . 51776 3 172 . 3 . 3 103 103 VAL N N 15 117.8350 0.0000 . 1 . . . . . 98 VAL N . 51776 3 173 . 3 . 3 104 104 ARG H H 1 7.8070 0.0000 . 1 . . . . . 99 ARG HN . 51776 3 174 . 3 . 3 104 104 ARG N N 15 116.9560 0.0000 . 1 . . . . . 99 ARG N . 51776 3 175 . 3 . 3 105 105 LEU H H 1 7.7820 0.0000 . 1 . . . . . 100 LEU HN . 51776 3 176 . 3 . 3 105 105 LEU N N 15 117.8250 0.0000 . 1 . . . . . 100 LEU N . 51776 3 177 . 3 . 3 106 106 LEU H H 1 7.8950 0.0000 . 1 . . . . . 101 LEU HN . 51776 3 178 . 3 . 3 106 106 LEU N N 15 117.4310 0.0000 . 1 . . . . . 101 LEU N . 51776 3 179 . 3 . 3 107 107 LEU H H 1 8.1810 0.0000 . 1 . . . . . 102 LEU HN . 51776 3 180 . 3 . 3 107 107 LEU N N 15 120.0250 0.0000 . 1 . . . . . 102 LEU N . 51776 3 181 . 3 . 3 109 109 GLY H H 1 8.0980 0.0000 . 1 . . . . . 104 GLY HN . 51776 3 182 . 3 . 3 109 109 GLY N N 15 105.1090 0.0000 . 1 . . . . . 104 GLY N . 51776 3 183 . 3 . 3 110 110 GLU H H 1 10.2720 0.0000 . 1 . . . . . 105 GLU HN . 51776 3 184 . 3 . 3 110 110 GLU N N 15 129.2870 0.0000 . 1 . . . . . 105 GLU N . 51776 3 185 . 3 . 3 111 111 LEU H H 1 9.0030 0.0000 . 1 . . . . . 106 LEU HN . 51776 3 186 . 3 . 3 111 111 LEU N N 15 123.7960 0.0000 . 1 . . . . . 106 LEU N . 51776 3 187 . 3 . 3 112 112 ALA H H 1 7.9560 0.0000 . 1 . . . . . 107 ALA HN . 51776 3 188 . 3 . 3 112 112 ALA N N 15 119.1680 0.0000 . 1 . . . . . 107 ALA N . 51776 3 189 . 3 . 3 113 113 LYS H H 1 7.3750 0.0000 . 1 . . . . . 108 LYS HN . 51776 3 190 . 3 . 3 113 113 LYS N N 15 116.8550 0.0000 . 1 . . . . . 108 LYS N . 51776 3 191 . 3 . 3 114 114 HIS H H 1 8.1430 0.0000 . 1 . . . . . 109 HIS HN . 51776 3 192 . 3 . 3 114 114 HIS N N 15 117.7300 0.0000 . 1 . . . . . 109 HIS N . 51776 3 193 . 3 . 3 115 115 ALA H H 1 8.7010 0.0000 . 1 . . . . . 110 ALA HN . 51776 3 194 . 3 . 3 115 115 ALA N N 15 123.4900 0.0000 . 1 . . . . . 110 ALA N . 51776 3 195 . 3 . 3 116 116 VAL H H 1 8.2510 0.0000 . 1 . . . . . 111 VAL HN . 51776 3 196 . 3 . 3 116 116 VAL N N 15 117.2130 0.0000 . 1 . . . . . 111 VAL N . 51776 3 197 . 3 . 3 117 117 SER H H 1 7.4800 0.0000 . 1 . . . . . 112 SER HN . 51776 3 198 . 3 . 3 117 117 SER N N 15 117.5680 0.0000 . 1 . . . . . 112 SER N . 51776 3 199 . 3 . 3 118 118 GLU H H 1 8.1280 0.0000 . 1 . . . . . 113 GLU HN . 51776 3 200 . 3 . 3 118 118 GLU N N 15 120.1380 0.0000 . 1 . . . . . 113 GLU N . 51776 3 201 . 3 . 3 119 119 GLY H H 1 8.6560 0.0000 . 1 . . . . . 114 GLY HN . 51776 3 202 . 3 . 3 119 119 GLY N N 15 109.7400 0.0000 . 1 . . . . . 114 GLY N . 51776 3 203 . 3 . 3 120 120 THR H H 1 7.9560 0.0000 . 1 . . . . . 115 THR HN . 51776 3 204 . 3 . 3 120 120 THR N N 15 116.5830 0.0000 . 1 . . . . . 115 THR N . 51776 3 205 . 3 . 3 121 121 LYS H H 1 7.9780 0.0000 . 1 . . . . . 116 LYS HN . 51776 3 206 . 3 . 3 121 121 LYS N N 15 124.0610 0.0000 . 1 . . . . . 116 LYS N . 51776 3 207 . 3 . 3 122 122 ALA H H 1 7.6570 0.0000 . 1 . . . . . 117 ALA HN . 51776 3 208 . 3 . 3 122 122 ALA N N 15 121.8710 0.0000 . 1 . . . . . 117 ALA N . 51776 3 209 . 3 . 3 123 123 VAL H H 1 8.0810 0.0000 . 1 . . . . . 118 VAL HN . 51776 3 210 . 3 . 3 123 123 VAL N N 15 117.8610 0.0000 . 1 . . . . . 118 VAL N . 51776 3 211 . 3 . 3 126 126 TYR H H 1 8.2700 0.0000 . 1 . . . . . 121 TYR HN . 51776 3 212 . 3 . 3 126 126 TYR N N 15 118.6960 0.0000 . 1 . . . . . 121 TYR N . 51776 3 213 . 3 . 3 127 127 THR H H 1 8.2820 0.0000 . 1 . . . . . 122 THR HN . 51776 3 214 . 3 . 3 127 127 THR N N 15 110.1840 0.0000 . 1 . . . . . 122 THR N . 51776 3 215 . 3 . 3 128 128 SER H H 1 7.7100 0.0000 . 1 . . . . . 123 SER HN . 51776 3 216 . 3 . 3 128 128 SER N N 15 116.9180 0.0000 . 1 . . . . . 123 SER N . 51776 3 217 . 3 . 3 129 129 ALA H H 1 7.7350 0.0000 . 1 . . . . . 124 ALA HN . 51776 3 218 . 3 . 3 129 129 ALA N N 15 125.9830 0.0000 . 1 . . . . . 124 ALA N . 51776 3 219 . 3 . 3 130 130 LYS H H 1 7.7800 0.0000 . 1 . . . . . 125 LYS HN . 51776 3 220 . 3 . 3 130 130 LYS N N 15 126.1340 0.0000 . 1 . . . . . 125 LYS N . 51776 3 stop_ save_