data_53501 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53501 _Entry.Title ; Chemical Shift assignments of Human MLLT3 YEATS domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-01-12 _Entry.Accession_date 2026-01-12 _Entry.Last_release_date 2026-01-12 _Entry.Original_release_date 2026-01-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ashish Kabra . . . . 53501 2 Adam Boulton . . . . 53501 3 Benjamin Leach . . . . 53501 4 John Bushweller . . . . 53501 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53501 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 109 53501 '1H chemical shifts' 109 53501 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-02-10 . original BMRB . 53501 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53502 'Backbone 1H, 15N Chemical Shift Assignments of Human MLLT3 YEATS domain (K63EK67E double mutant)' 53501 BMRB 53503 'Backbone 1H, 15N Chemical Shift Assignments of Human MLLT3 YEATS domain in presence of SL4 of 7SK ncRNA' 53501 BMRB 53504 'Backbone 1H, 15N Chemical Shift Assignments of Human MLLT3 YEATS domain (K63EK67E double mutant) in presence of SL4 of 7SK ncRNA' 53501 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53501 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The MLLT3 YEATS domain is a dual reader of histone marks (H3K9/18/27ac/cr) and ncRNA (7SK), linking epigenetic and RNA signaling to regulate hematopoiesis ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Cell Reports' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Adam Boulton . . . . 53501 1 2 Ashish Kabra . . . . 53501 1 3 Nicholas Achille . . . . 53501 1 4 Emmalee Adelman . R. . . 53501 1 5 Dimitrios Anastasakis . G. . . 53501 1 6 Felipe Beckedorff . . . . 53501 1 7 Pradeepkumar Cingaram . . . . 53501 1 8 Ying Zhang . . . . 53501 1 9 Benjamin Leach . . . . 53501 1 10 Ramin Shiekhattar . . . . 53501 1 11 Akihiko Yokoyama . . . . 53501 1 12 Markus Hafner . . . . 53501 1 13 Maria Figueroa . . . . 53501 1 14 Nancy Zeleznik-Le . . . . 53501 1 15 John Bushweller . . . . 53501 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53501 _Assembly.ID 1 _Assembly.Name 'MLLT3 YEATS domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'MLLT3 YEATS domain' 1 $entity_1 . . yes native no no . . . 53501 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53501 _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 ; MASSAAVQVKLELGHRAQVR KKPTVEGFTHDWMVFVRGPE HSNIQHFVEKVVFHLHESFP RPKRVCKDPPYKVEESGYAG FILPIEVYFKNKEEPRKVRF DYDLFLHLEGHPPVNHLRCE KLTFNNPTEDFRRKLLKAGG LEHHHHHH ; _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 148 _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 . MET . 53501 1 2 . ALA . 53501 1 3 . SER . 53501 1 4 . SER . 53501 1 5 . ALA . 53501 1 6 . ALA . 53501 1 7 . VAL . 53501 1 8 . GLN . 53501 1 9 . VAL . 53501 1 10 . LYS . 53501 1 11 . LEU . 53501 1 12 . GLU . 53501 1 13 . LEU . 53501 1 14 . GLY . 53501 1 15 . HIS . 53501 1 16 . ARG . 53501 1 17 . ALA . 53501 1 18 . GLN . 53501 1 19 . VAL . 53501 1 20 . ARG . 53501 1 21 . LYS . 53501 1 22 . LYS . 53501 1 23 . PRO . 53501 1 24 . THR . 53501 1 25 . VAL . 53501 1 26 . GLU . 53501 1 27 . GLY . 53501 1 28 . PHE . 53501 1 29 . THR . 53501 1 30 . HIS . 53501 1 31 . ASP . 53501 1 32 . TRP . 53501 1 33 . MET . 53501 1 34 . VAL . 53501 1 35 . PHE . 53501 1 36 . VAL . 53501 1 37 . ARG . 53501 1 38 . GLY . 53501 1 39 . PRO . 53501 1 40 . GLU . 53501 1 41 . HIS . 53501 1 42 . SER . 53501 1 43 . ASN . 53501 1 44 . ILE . 53501 1 45 . GLN . 53501 1 46 . HIS . 53501 1 47 . PHE . 53501 1 48 . VAL . 53501 1 49 . GLU . 53501 1 50 . LYS . 53501 1 51 . VAL . 53501 1 52 . VAL . 53501 1 53 . PHE . 53501 1 54 . HIS . 53501 1 55 . LEU . 53501 1 56 . HIS . 53501 1 57 . GLU . 53501 1 58 . SER . 53501 1 59 . PHE . 53501 1 60 . PRO . 53501 1 61 . ARG . 53501 1 62 . PRO . 53501 1 63 . LYS . 53501 1 64 . ARG . 53501 1 65 . VAL . 53501 1 66 . CYS . 53501 1 67 . LYS . 53501 1 68 . ASP . 53501 1 69 . PRO . 53501 1 70 . PRO . 53501 1 71 . TYR . 53501 1 72 . LYS . 53501 1 73 . VAL . 53501 1 74 . GLU . 53501 1 75 . GLU . 53501 1 76 . SER . 53501 1 77 . GLY . 53501 1 78 . TYR . 53501 1 79 . ALA . 53501 1 80 . GLY . 53501 1 81 . PHE . 53501 1 82 . ILE . 53501 1 83 . LEU . 53501 1 84 . PRO . 53501 1 85 . ILE . 53501 1 86 . GLU . 53501 1 87 . VAL . 53501 1 88 . TYR . 53501 1 89 . PHE . 53501 1 90 . LYS . 53501 1 91 . ASN . 53501 1 92 . LYS . 53501 1 93 . GLU . 53501 1 94 . GLU . 53501 1 95 . PRO . 53501 1 96 . ARG . 53501 1 97 . LYS . 53501 1 98 . VAL . 53501 1 99 . ARG . 53501 1 100 . PHE . 53501 1 101 . ASP . 53501 1 102 . TYR . 53501 1 103 . ASP . 53501 1 104 . LEU . 53501 1 105 . PHE . 53501 1 106 . LEU . 53501 1 107 . HIS . 53501 1 108 . LEU . 53501 1 109 . GLU . 53501 1 110 . GLY . 53501 1 111 . HIS . 53501 1 112 . PRO . 53501 1 113 . PRO . 53501 1 114 . VAL . 53501 1 115 . ASN . 53501 1 116 . HIS . 53501 1 117 . LEU . 53501 1 118 . ARG . 53501 1 119 . CYS . 53501 1 120 . GLU . 53501 1 121 . LYS . 53501 1 122 . LEU . 53501 1 123 . THR . 53501 1 124 . PHE . 53501 1 125 . ASN . 53501 1 126 . ASN . 53501 1 127 . PRO . 53501 1 128 . THR . 53501 1 129 . GLU . 53501 1 130 . ASP . 53501 1 131 . PHE . 53501 1 132 . ARG . 53501 1 133 . ARG . 53501 1 134 . LYS . 53501 1 135 . LEU . 53501 1 136 . LEU . 53501 1 137 . LYS . 53501 1 138 . ALA . 53501 1 139 . GLY . 53501 1 140 . GLY . 53501 1 141 . LEU . 53501 1 142 . GLU . 53501 1 143 . HIS . 53501 1 144 . HIS . 53501 1 145 . HIS . 53501 1 146 . HIS . 53501 1 147 . HIS . 53501 1 148 . HIS . 53501 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 . MET 1 1 53501 1 . ALA 2 2 53501 1 . SER 3 3 53501 1 . SER 4 4 53501 1 . ALA 5 5 53501 1 . ALA 6 6 53501 1 . VAL 7 7 53501 1 . GLN 8 8 53501 1 . VAL 9 9 53501 1 . LYS 10 10 53501 1 . LEU 11 11 53501 1 . GLU 12 12 53501 1 . LEU 13 13 53501 1 . GLY 14 14 53501 1 . HIS 15 15 53501 1 . ARG 16 16 53501 1 . ALA 17 17 53501 1 . GLN 18 18 53501 1 . VAL 19 19 53501 1 . ARG 20 20 53501 1 . LYS 21 21 53501 1 . LYS 22 22 53501 1 . PRO 23 23 53501 1 . THR 24 24 53501 1 . VAL 25 25 53501 1 . GLU 26 26 53501 1 . GLY 27 27 53501 1 . PHE 28 28 53501 1 . THR 29 29 53501 1 . HIS 30 30 53501 1 . ASP 31 31 53501 1 . TRP 32 32 53501 1 . MET 33 33 53501 1 . VAL 34 34 53501 1 . PHE 35 35 53501 1 . VAL 36 36 53501 1 . ARG 37 37 53501 1 . GLY 38 38 53501 1 . PRO 39 39 53501 1 . GLU 40 40 53501 1 . HIS 41 41 53501 1 . SER 42 42 53501 1 . ASN 43 43 53501 1 . ILE 44 44 53501 1 . GLN 45 45 53501 1 . HIS 46 46 53501 1 . PHE 47 47 53501 1 . VAL 48 48 53501 1 . GLU 49 49 53501 1 . LYS 50 50 53501 1 . VAL 51 51 53501 1 . VAL 52 52 53501 1 . PHE 53 53 53501 1 . HIS 54 54 53501 1 . LEU 55 55 53501 1 . HIS 56 56 53501 1 . GLU 57 57 53501 1 . SER 58 58 53501 1 . PHE 59 59 53501 1 . PRO 60 60 53501 1 . ARG 61 61 53501 1 . PRO 62 62 53501 1 . LYS 63 63 53501 1 . ARG 64 64 53501 1 . VAL 65 65 53501 1 . CYS 66 66 53501 1 . LYS 67 67 53501 1 . ASP 68 68 53501 1 . PRO 69 69 53501 1 . PRO 70 70 53501 1 . TYR 71 71 53501 1 . LYS 72 72 53501 1 . VAL 73 73 53501 1 . GLU 74 74 53501 1 . GLU 75 75 53501 1 . SER 76 76 53501 1 . GLY 77 77 53501 1 . TYR 78 78 53501 1 . ALA 79 79 53501 1 . GLY 80 80 53501 1 . PHE 81 81 53501 1 . ILE 82 82 53501 1 . LEU 83 83 53501 1 . PRO 84 84 53501 1 . ILE 85 85 53501 1 . GLU 86 86 53501 1 . VAL 87 87 53501 1 . TYR 88 88 53501 1 . PHE 89 89 53501 1 . LYS 90 90 53501 1 . ASN 91 91 53501 1 . LYS 92 92 53501 1 . GLU 93 93 53501 1 . GLU 94 94 53501 1 . PRO 95 95 53501 1 . ARG 96 96 53501 1 . LYS 97 97 53501 1 . VAL 98 98 53501 1 . ARG 99 99 53501 1 . PHE 100 100 53501 1 . ASP 101 101 53501 1 . TYR 102 102 53501 1 . ASP 103 103 53501 1 . LEU 104 104 53501 1 . PHE 105 105 53501 1 . LEU 106 106 53501 1 . HIS 107 107 53501 1 . LEU 108 108 53501 1 . GLU 109 109 53501 1 . GLY 110 110 53501 1 . HIS 111 111 53501 1 . PRO 112 112 53501 1 . PRO 113 113 53501 1 . VAL 114 114 53501 1 . ASN 115 115 53501 1 . HIS 116 116 53501 1 . LEU 117 117 53501 1 . ARG 118 118 53501 1 . CYS 119 119 53501 1 . GLU 120 120 53501 1 . LYS 121 121 53501 1 . LEU 122 122 53501 1 . THR 123 123 53501 1 . PHE 124 124 53501 1 . ASN 125 125 53501 1 . ASN 126 126 53501 1 . PRO 127 127 53501 1 . THR 128 128 53501 1 . GLU 129 129 53501 1 . ASP 130 130 53501 1 . PHE 131 131 53501 1 . ARG 132 132 53501 1 . ARG 133 133 53501 1 . LYS 134 134 53501 1 . LEU 135 135 53501 1 . LEU 136 136 53501 1 . LYS 137 137 53501 1 . ALA 138 138 53501 1 . GLY 139 139 53501 1 . GLY 140 140 53501 1 . LEU 141 141 53501 1 . GLU 142 142 53501 1 . HIS 143 143 53501 1 . HIS 144 144 53501 1 . HIS 145 145 53501 1 . HIS 146 146 53501 1 . HIS 147 147 53501 1 . HIS 148 148 53501 1 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 53501 _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 . . . . . . . . . . . . . 53501 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 53501 _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 BL-21 . . plasmid . . pHis . . . 53501 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53501 _Sample.ID 1 _Sample.Name '15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'MLLT3 YEATS domain' '[U-99% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 53501 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53501 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53501 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 53501 1 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 53501 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53501 _Sample.ID 2 _Sample.Name '13C15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'MLLT3 YEATS domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 350 . . uM . . . . 53501 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53501 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53501 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 53501 2 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 53501 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 53501 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Condition 1' _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' 50 . mM 53501 1 pH 7.0 . pH 53501 1 pressure 1 . atm 53501 1 temperature 298 . K 53501 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53501 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53501 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53501 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53501 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53501 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53501 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53501 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Neptune _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53501 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53501 1 2 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53501 1 3 '3D HNCACO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53501 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53501 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 53501 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 internal direct 1 . . . . . 53501 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329 . . . . . 53501 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 53501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MLLT3 YEATS domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53501 1 2 '3D HNCACB' . . . 53501 1 3 '3D HNCACO' . . . 53501 1 4 '3D CBCA(CO)NH' . . . 53501 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 . . 53501 1 2 $software_2 . . 53501 1 3 $software_3 . . 53501 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 5 5 ALA H H 1 8.43 . . . . . . . . 5 ALA H . 53501 1 2 . 1 . 1 5 5 ALA N N 15 124.398 . . . . . . . . 5 ALA N . 53501 1 3 . 1 . 1 6 6 ALA H H 1 7.892 . . . . . . . . 6 ALA H . 53501 1 4 . 1 . 1 6 6 ALA N N 15 125.812 . . . . . . . . 6 ALA N . 53501 1 5 . 1 . 1 7 7 VAL H H 1 8.394 . . . . . . . . 7 VAL H . 53501 1 6 . 1 . 1 7 7 VAL N N 15 120.594 . . . . . . . . 7 VAL N . 53501 1 7 . 1 . 1 8 8 GLN H H 1 8.722 . . . . . . . . 8 GLN H . 53501 1 8 . 1 . 1 8 8 GLN N N 15 126.723 . . . . . . . . 8 GLN N . 53501 1 9 . 1 . 1 9 9 VAL H H 1 8.618 . . . . . . . . 9 VAL H . 53501 1 10 . 1 . 1 9 9 VAL N N 15 118.917 . . . . . . . . 9 VAL N . 53501 1 11 . 1 . 1 10 10 LYS H H 1 8.22 . . . . . . . . 10 LYS H . 53501 1 12 . 1 . 1 10 10 LYS N N 15 120.529 . . . . . . . . 10 LYS N . 53501 1 13 . 1 . 1 11 11 LEU H H 1 8.804 . . . . . . . . 11 LEU H . 53501 1 14 . 1 . 1 11 11 LEU N N 15 118.846 . . . . . . . . 11 LEU N . 53501 1 15 . 1 . 1 12 12 GLU H H 1 9.16 . . . . . . . . 12 GLU H . 53501 1 16 . 1 . 1 12 12 GLU N N 15 121.111 . . . . . . . . 12 GLU N . 53501 1 17 . 1 . 1 13 13 LEU H H 1 8.851 . . . . . . . . 13 LEU H . 53501 1 18 . 1 . 1 13 13 LEU N N 15 124.408 . . . . . . . . 13 LEU N . 53501 1 19 . 1 . 1 14 14 GLY H H 1 7.167 . . . . . . . . 14 GLY H . 53501 1 20 . 1 . 1 14 14 GLY N N 15 108.038 . . . . . . . . 14 GLY N . 53501 1 21 . 1 . 1 15 15 HIS H H 1 8.052 . . . . . . . . 15 HIS H . 53501 1 22 . 1 . 1 15 15 HIS N N 15 111.291 . . . . . . . . 15 HIS N . 53501 1 23 . 1 . 1 16 16 ARG H H 1 8.911 . . . . . . . . 16 ARG H . 53501 1 24 . 1 . 1 16 16 ARG N N 15 117.753 . . . . . . . . 16 ARG N . 53501 1 25 . 1 . 1 17 17 ALA H H 1 8.019 . . . . . . . . 17 ALA H . 53501 1 26 . 1 . 1 17 17 ALA N N 15 120.646 . . . . . . . . 17 ALA N . 53501 1 27 . 1 . 1 20 20 ARG H H 1 8.67 . . . . . . . . 20 ARG H . 53501 1 28 . 1 . 1 20 20 ARG N N 15 127.45 . . . . . . . . 20 ARG N . 53501 1 29 . 1 . 1 22 22 LYS H H 1 7.735 . . . . . . . . 22 LYS H . 53501 1 30 . 1 . 1 22 22 LYS N N 15 115.863 . . . . . . . . 22 LYS N . 53501 1 31 . 1 . 1 24 24 THR H H 1 8.245 . . . . . . . . 24 THR H . 53501 1 32 . 1 . 1 24 24 THR N N 15 111.235 . . . . . . . . 24 THR N . 53501 1 33 . 1 . 1 25 25 VAL H H 1 8.927 . . . . . . . . 25 VAL H . 53501 1 34 . 1 . 1 25 25 VAL N N 15 120.866 . . . . . . . . 25 VAL N . 53501 1 35 . 1 . 1 26 26 GLU H H 1 8.011 . . . . . . . . 26 GLU H . 53501 1 36 . 1 . 1 26 26 GLU N N 15 117.116 . . . . . . . . 26 GLU N . 53501 1 37 . 1 . 1 27 27 GLY H H 1 7.878 . . . . . . . . 27 GLY H . 53501 1 38 . 1 . 1 27 27 GLY N N 15 105.834 . . . . . . . . 27 GLY N . 53501 1 39 . 1 . 1 28 28 PHE H H 1 7.688 . . . . . . . . 28 PHE H . 53501 1 40 . 1 . 1 28 28 PHE N N 15 118.938 . . . . . . . . 28 PHE N . 53501 1 41 . 1 . 1 29 29 THR H H 1 7.766 . . . . . . . . 29 THR H . 53501 1 42 . 1 . 1 29 29 THR N N 15 112.61 . . . . . . . . 29 THR N . 53501 1 43 . 1 . 1 31 31 ASP H H 1 8.782 . . . . . . . . 31 ASP H . 53501 1 44 . 1 . 1 31 31 ASP N N 15 120.781 . . . . . . . . 31 ASP N . 53501 1 45 . 1 . 1 32 32 TRP H H 1 9.192 . . . . . . . . 32 TRP H . 53501 1 46 . 1 . 1 32 32 TRP N N 15 119.644 . . . . . . . . 32 TRP N . 53501 1 47 . 1 . 1 33 33 MET H H 1 9.037 . . . . . . . . 33 MET H . 53501 1 48 . 1 . 1 33 33 MET N N 15 120.623 . . . . . . . . 33 MET N . 53501 1 49 . 1 . 1 34 34 VAL H H 1 9.021 . . . . . . . . 34 VAL H . 53501 1 50 . 1 . 1 34 34 VAL N N 15 126.049 . . . . . . . . 34 VAL N . 53501 1 51 . 1 . 1 35 35 PHE H H 1 8.368 . . . . . . . . 35 PHE H . 53501 1 52 . 1 . 1 35 35 PHE N N 15 120.352 . . . . . . . . 35 PHE N . 53501 1 53 . 1 . 1 36 36 VAL H H 1 8.517 . . . . . . . . 36 VAL H . 53501 1 54 . 1 . 1 36 36 VAL N N 15 116.584 . . . . . . . . 36 VAL N . 53501 1 55 . 1 . 1 37 37 ARG H H 1 9.804 . . . . . . . . 37 ARG H . 53501 1 56 . 1 . 1 37 37 ARG N N 15 124.062 . . . . . . . . 37 ARG N . 53501 1 57 . 1 . 1 38 38 GLY H H 1 8.766 . . . . . . . . 38 GLY H . 53501 1 58 . 1 . 1 38 38 GLY N N 15 107.839 . . . . . . . . 38 GLY N . 53501 1 59 . 1 . 1 40 40 GLU H H 1 8.914 . . . . . . . . 40 GLU H . 53501 1 60 . 1 . 1 40 40 GLU N N 15 121.585 . . . . . . . . 40 GLU N . 53501 1 61 . 1 . 1 41 41 HIS H H 1 8.398 . . . . . . . . 41 HIS H . 53501 1 62 . 1 . 1 41 41 HIS N N 15 115.058 . . . . . . . . 41 HIS N . 53501 1 63 . 1 . 1 42 42 SER H H 1 7.966 . . . . . . . . 42 SER H . 53501 1 64 . 1 . 1 42 42 SER N N 15 115.933 . . . . . . . . 42 SER N . 53501 1 65 . 1 . 1 44 44 ILE H H 1 8.177 . . . . . . . . 44 ILE H . 53501 1 66 . 1 . 1 44 44 ILE N N 15 115.458 . . . . . . . . 44 ILE N . 53501 1 67 . 1 . 1 45 45 GLN H H 1 8.794 . . . . . . . . 45 GLN H . 53501 1 68 . 1 . 1 45 45 GLN N N 15 123.393 . . . . . . . . 45 GLN N . 53501 1 69 . 1 . 1 46 46 HIS H H 1 6.995 . . . . . . . . 46 HIS H . 53501 1 70 . 1 . 1 46 46 HIS N N 15 113.736 . . . . . . . . 46 HIS N . 53501 1 71 . 1 . 1 47 47 PHE H H 1 7.704 . . . . . . . . 47 PHE H . 53501 1 72 . 1 . 1 47 47 PHE N N 15 109.732 . . . . . . . . 47 PHE N . 53501 1 73 . 1 . 1 48 48 VAL H H 1 7.69 . . . . . . . . 48 VAL H . 53501 1 74 . 1 . 1 48 48 VAL N N 15 127.831 . . . . . . . . 48 VAL N . 53501 1 75 . 1 . 1 49 49 GLU H H 1 9.336 . . . . . . . . 49 GLU H . 53501 1 76 . 1 . 1 49 49 GLU N N 15 130.966 . . . . . . . . 49 GLU N . 53501 1 77 . 1 . 1 50 50 LYS H H 1 7.1 . . . . . . . . 50 LYS H . 53501 1 78 . 1 . 1 50 50 LYS N N 15 109.048 . . . . . . . . 50 LYS N . 53501 1 79 . 1 . 1 51 51 VAL H H 1 8.387 . . . . . . . . 51 VAL H . 53501 1 80 . 1 . 1 51 51 VAL N N 15 121.01 . . . . . . . . 51 VAL N . 53501 1 81 . 1 . 1 52 52 VAL H H 1 9.197 . . . . . . . . 52 VAL H . 53501 1 82 . 1 . 1 52 52 VAL N N 15 126.783 . . . . . . . . 52 VAL N . 53501 1 83 . 1 . 1 53 53 PHE H H 1 9.226 . . . . . . . . 53 PHE H . 53501 1 84 . 1 . 1 53 53 PHE N N 15 126.181 . . . . . . . . 53 PHE N . 53501 1 85 . 1 . 1 54 54 HIS H H 1 8.691 . . . . . . . . 54 HIS H . 53501 1 86 . 1 . 1 54 54 HIS N N 15 123.946 . . . . . . . . 54 HIS N . 53501 1 87 . 1 . 1 55 55 LEU H H 1 8.983 . . . . . . . . 55 LEU H . 53501 1 88 . 1 . 1 55 55 LEU N N 15 121.96 . . . . . . . . 55 LEU N . 53501 1 89 . 1 . 1 56 56 HIS H H 1 5.219 . . . . . . . . 56 HIS H . 53501 1 90 . 1 . 1 56 56 HIS N N 15 118.339 . . . . . . . . 56 HIS N . 53501 1 91 . 1 . 1 57 57 GLU H H 1 8.031 . . . . . . . . 57 GLU H . 53501 1 92 . 1 . 1 57 57 GLU N N 15 122.157 . . . . . . . . 57 GLU N . 53501 1 93 . 1 . 1 58 58 SER H H 1 8.689 . . . . . . . . 58 SER H . 53501 1 94 . 1 . 1 58 58 SER N N 15 117.61 . . . . . . . . 58 SER N . 53501 1 95 . 1 . 1 59 59 PHE H H 1 8.688 . . . . . . . . 59 PHE H . 53501 1 96 . 1 . 1 59 59 PHE N N 15 123.585 . . . . . . . . 59 PHE N . 53501 1 97 . 1 . 1 61 61 ARG H H 1 8.796 . . . . . . . . 61 ARG H . 53501 1 98 . 1 . 1 61 61 ARG N N 15 116.84 . . . . . . . . 61 ARG N . 53501 1 99 . 1 . 1 63 63 LYS H H 1 7.712 . . . . . . . . 63 LYS H . 53501 1 100 . 1 . 1 63 63 LYS N N 15 118.148 . . . . . . . . 63 LYS N . 53501 1 101 . 1 . 1 64 64 ARG H H 1 8.754 . . . . . . . . 64 ARG H . 53501 1 102 . 1 . 1 64 64 ARG N N 15 126.748 . . . . . . . . 64 ARG N . 53501 1 103 . 1 . 1 65 65 VAL H H 1 8.709 . . . . . . . . 65 VAL H . 53501 1 104 . 1 . 1 65 65 VAL N N 15 124.69 . . . . . . . . 65 VAL N . 53501 1 105 . 1 . 1 66 66 CYS H H 1 9.409 . . . . . . . . 66 CYS H . 53501 1 106 . 1 . 1 66 66 CYS N N 15 127.145 . . . . . . . . 66 CYS N . 53501 1 107 . 1 . 1 67 67 LYS H H 1 8.986 . . . . . . . . 67 LYS H . 53501 1 108 . 1 . 1 67 67 LYS N N 15 125.345 . . . . . . . . 67 LYS N . 53501 1 109 . 1 . 1 68 68 ASP H H 1 7.547 . . . . . . . . 68 ASP H . 53501 1 110 . 1 . 1 68 68 ASP N N 15 117.268 . . . . . . . . 68 ASP N . 53501 1 111 . 1 . 1 71 71 TYR H H 1 8.895 . . . . . . . . 71 TYR H . 53501 1 112 . 1 . 1 71 71 TYR N N 15 125.346 . . . . . . . . 71 TYR N . 53501 1 113 . 1 . 1 72 72 LYS H H 1 7.603 . . . . . . . . 72 LYS H . 53501 1 114 . 1 . 1 72 72 LYS N N 15 121.29 . . . . . . . . 72 LYS N . 53501 1 115 . 1 . 1 73 73 VAL H H 1 8.123 . . . . . . . . 73 VAL H . 53501 1 116 . 1 . 1 73 73 VAL N N 15 119.388 . . . . . . . . 73 VAL N . 53501 1 117 . 1 . 1 74 74 GLU H H 1 8.196 . . . . . . . . 74 GLU H . 53501 1 118 . 1 . 1 74 74 GLU N N 15 126.191 . . . . . . . . 74 GLU N . 53501 1 119 . 1 . 1 75 75 GLU H H 1 7.63 . . . . . . . . 75 GLU H . 53501 1 120 . 1 . 1 75 75 GLU N N 15 125.801 . . . . . . . . 75 GLU N . 53501 1 121 . 1 . 1 77 77 GLY H H 1 8.76 . . . . . . . . 77 GLY H . 53501 1 122 . 1 . 1 77 77 GLY N N 15 105.527 . . . . . . . . 77 GLY N . 53501 1 123 . 1 . 1 78 78 TYR H H 1 8.752 . . . . . . . . 78 TYR H . 53501 1 124 . 1 . 1 78 78 TYR N N 15 112.705 . . . . . . . . 78 TYR N . 53501 1 125 . 1 . 1 79 79 ALA H H 1 7.154 . . . . . . . . 79 ALA H . 53501 1 126 . 1 . 1 79 79 ALA N N 15 122.094 . . . . . . . . 79 ALA N . 53501 1 127 . 1 . 1 80 80 GLY H H 1 8.273 . . . . . . . . 80 GLY H . 53501 1 128 . 1 . 1 80 80 GLY N N 15 107.48 . . . . . . . . 80 GLY N . 53501 1 129 . 1 . 1 82 82 ILE H H 1 8.234 . . . . . . . . 82 ILE H . 53501 1 130 . 1 . 1 82 82 ILE N N 15 117.95 . . . . . . . . 82 ILE N . 53501 1 131 . 1 . 1 83 83 LEU H H 1 9.735 . . . . . . . . 83 LEU H . 53501 1 132 . 1 . 1 83 83 LEU N N 15 104.309 . . . . . . . . 83 LEU N . 53501 1 133 . 1 . 1 85 85 ILE H H 1 9.311 . . . . . . . . 85 ILE H . 53501 1 134 . 1 . 1 85 85 ILE N N 15 125.965 . . . . . . . . 85 ILE N . 53501 1 135 . 1 . 1 86 86 GLU H H 1 9.238 . . . . . . . . 86 GLU H . 53501 1 136 . 1 . 1 86 86 GLU N N 15 123.857 . . . . . . . . 86 GLU N . 53501 1 137 . 1 . 1 87 87 VAL H H 1 8.585 . . . . . . . . 87 VAL H . 53501 1 138 . 1 . 1 87 87 VAL N N 15 124 . . . . . . . . 87 VAL N . 53501 1 139 . 1 . 1 88 88 TYR H H 1 8.601 . . . . . . . . 88 TYR H . 53501 1 140 . 1 . 1 88 88 TYR N N 15 124.358 . . . . . . . . 88 TYR N . 53501 1 141 . 1 . 1 89 89 PHE H H 1 8.636 . . . . . . . . 89 PHE H . 53501 1 142 . 1 . 1 89 89 PHE N N 15 120.828 . . . . . . . . 89 PHE N . 53501 1 143 . 1 . 1 90 90 LYS H H 1 8.607 . . . . . . . . 90 LYS H . 53501 1 144 . 1 . 1 90 90 LYS N N 15 123.859 . . . . . . . . 90 LYS N . 53501 1 145 . 1 . 1 93 93 GLU H H 1 6.991 . . . . . . . . 93 GLU H . 53501 1 146 . 1 . 1 93 93 GLU N N 15 118.01 . . . . . . . . 93 GLU N . 53501 1 147 . 1 . 1 94 94 GLU H H 1 8.018 . . . . . . . . 94 GLU H . 53501 1 148 . 1 . 1 94 94 GLU N N 15 115.315 . . . . . . . . 94 GLU N . 53501 1 149 . 1 . 1 96 96 ARG H H 1 8.495 . . . . . . . . 96 ARG H . 53501 1 150 . 1 . 1 96 96 ARG N N 15 122.066 . . . . . . . . 96 ARG N . 53501 1 151 . 1 . 1 97 97 LYS H H 1 7.535 . . . . . . . . 97 LYS H . 53501 1 152 . 1 . 1 97 97 LYS N N 15 113.506 . . . . . . . . 97 LYS N . 53501 1 153 . 1 . 1 98 98 VAL H H 1 7.925 . . . . . . . . 98 VAL H . 53501 1 154 . 1 . 1 98 98 VAL N N 15 116.342 . . . . . . . . 98 VAL N . 53501 1 155 . 1 . 1 99 99 ARG H H 1 7.82 . . . . . . . . 99 ARG H . 53501 1 156 . 1 . 1 99 99 ARG N N 15 125.187 . . . . . . . . 99 ARG N . 53501 1 157 . 1 . 1 100 100 PHE H H 1 9.297 . . . . . . . . 100 PHE H . 53501 1 158 . 1 . 1 100 100 PHE N N 15 124.524 . . . . . . . . 100 PHE N . 53501 1 159 . 1 . 1 101 101 ASP H H 1 8.921 . . . . . . . . 101 ASP H . 53501 1 160 . 1 . 1 101 101 ASP N N 15 124.355 . . . . . . . . 101 ASP N . 53501 1 161 . 1 . 1 102 102 TYR H H 1 8.281 . . . . . . . . 102 TYR H . 53501 1 162 . 1 . 1 102 102 TYR N N 15 129.74 . . . . . . . . 102 TYR N . 53501 1 163 . 1 . 1 103 103 ASP H H 1 7.651 . . . . . . . . 103 ASP H . 53501 1 164 . 1 . 1 103 103 ASP N N 15 127.646 . . . . . . . . 103 ASP N . 53501 1 165 . 1 . 1 104 104 LEU H H 1 7.449 . . . . . . . . 104 LEU H . 53501 1 166 . 1 . 1 104 104 LEU N N 15 130.989 . . . . . . . . 104 LEU N . 53501 1 167 . 1 . 1 105 105 PHE H H 1 5.942 . . . . . . . . 105 PHE H . 53501 1 168 . 1 . 1 105 105 PHE N N 15 120.705 . . . . . . . . 105 PHE N . 53501 1 169 . 1 . 1 106 106 LEU H H 1 8.414 . . . . . . . . 106 LEU H . 53501 1 170 . 1 . 1 106 106 LEU N N 15 118.797 . . . . . . . . 106 LEU N . 53501 1 171 . 1 . 1 109 109 GLU H H 1 8.782 . . . . . . . . 109 GLU H . 53501 1 172 . 1 . 1 109 109 GLU N N 15 120.781 . . . . . . . . 109 GLU N . 53501 1 173 . 1 . 1 111 111 HIS H H 1 7.968 . . . . . . . . 111 HIS H . 53501 1 174 . 1 . 1 111 111 HIS N N 15 120.564 . . . . . . . . 111 HIS N . 53501 1 175 . 1 . 1 114 114 VAL H H 1 8.807 . . . . . . . . 114 VAL H . 53501 1 176 . 1 . 1 114 114 VAL N N 15 126.136 . . . . . . . . 114 VAL N . 53501 1 177 . 1 . 1 116 116 HIS H H 1 8.766 . . . . . . . . 116 HIS H . 53501 1 178 . 1 . 1 116 116 HIS N N 15 125.315 . . . . . . . . 116 HIS N . 53501 1 179 . 1 . 1 117 117 LEU H H 1 7.38 . . . . . . . . 117 LEU H . 53501 1 180 . 1 . 1 117 117 LEU N N 15 128.138 . . . . . . . . 117 LEU N . 53501 1 181 . 1 . 1 118 118 ARG H H 1 9.777 . . . . . . . . 118 ARG H . 53501 1 182 . 1 . 1 118 118 ARG N N 15 128.255 . . . . . . . . 118 ARG N . 53501 1 183 . 1 . 1 119 119 CYS H H 1 8.73 . . . . . . . . 119 CYS H . 53501 1 184 . 1 . 1 119 119 CYS N N 15 125.381 . . . . . . . . 119 CYS N . 53501 1 185 . 1 . 1 120 120 GLU H H 1 8.909 . . . . . . . . 120 GLU H . 53501 1 186 . 1 . 1 120 120 GLU N N 15 125.808 . . . . . . . . 120 GLU N . 53501 1 187 . 1 . 1 121 121 LYS H H 1 8.629 . . . . . . . . 121 LYS H . 53501 1 188 . 1 . 1 121 121 LYS N N 15 121.723 . . . . . . . . 121 LYS N . 53501 1 189 . 1 . 1 122 122 LEU H H 1 9.197 . . . . . . . . 122 LEU H . 53501 1 190 . 1 . 1 122 122 LEU N N 15 126.783 . . . . . . . . 122 LEU N . 53501 1 191 . 1 . 1 123 123 THR H H 1 8.123 . . . . . . . . 123 THR H . 53501 1 192 . 1 . 1 123 123 THR N N 15 118.232 . . . . . . . . 123 THR N . 53501 1 193 . 1 . 1 124 124 PHE H H 1 9.042 . . . . . . . . 124 PHE H . 53501 1 194 . 1 . 1 124 124 PHE N N 15 126.611 . . . . . . . . 124 PHE N . 53501 1 195 . 1 . 1 125 125 ASN H H 1 9.018 . . . . . . . . 125 ASN H . 53501 1 196 . 1 . 1 125 125 ASN N N 15 123.499 . . . . . . . . 125 ASN N . 53501 1 197 . 1 . 1 128 128 THR H H 1 8.9 . . . . . . . . 128 THR H . 53501 1 198 . 1 . 1 128 128 THR N N 15 113.365 . . . . . . . . 128 THR N . 53501 1 199 . 1 . 1 129 129 GLU H H 1 8.814 . . . . . . . . 129 GLU H . 53501 1 200 . 1 . 1 129 129 GLU N N 15 122.273 . . . . . . . . 129 GLU N . 53501 1 201 . 1 . 1 130 130 ASP H H 1 8.499 . . . . . . . . 130 ASP H . 53501 1 202 . 1 . 1 130 130 ASP N N 15 116.285 . . . . . . . . 130 ASP N . 53501 1 203 . 1 . 1 131 131 PHE H H 1 7.727 . . . . . . . . 131 PHE H . 53501 1 204 . 1 . 1 131 131 PHE N N 15 120.201 . . . . . . . . 131 PHE N . 53501 1 205 . 1 . 1 132 132 ARG H H 1 9.136 . . . . . . . . 132 ARG H . 53501 1 206 . 1 . 1 132 132 ARG N N 15 120.095 . . . . . . . . 132 ARG N . 53501 1 207 . 1 . 1 133 133 ARG H H 1 7.727 . . . . . . . . 133 ARG H . 53501 1 208 . 1 . 1 133 133 ARG N N 15 115.102 . . . . . . . . 133 ARG N . 53501 1 209 . 1 . 1 134 134 LYS H H 1 7.253 . . . . . . . . 134 LYS H . 53501 1 210 . 1 . 1 134 134 LYS N N 15 118.758 . . . . . . . . 134 LYS N . 53501 1 211 . 1 . 1 135 135 LEU H H 1 7.721 . . . . . . . . 135 LEU H . 53501 1 212 . 1 . 1 135 135 LEU N N 15 117.148 . . . . . . . . 135 LEU N . 53501 1 213 . 1 . 1 136 136 LEU H H 1 7.417 . . . . . . . . 136 LEU H . 53501 1 214 . 1 . 1 136 136 LEU N N 15 113.632 . . . . . . . . 136 LEU N . 53501 1 215 . 1 . 1 137 137 LYS H H 1 7.11 . . . . . . . . 137 LYS H . 53501 1 216 . 1 . 1 137 137 LYS N N 15 119.788 . . . . . . . . 137 LYS N . 53501 1 217 . 1 . 1 138 138 ALA H H 1 7.38 . . . . . . . . 138 ALA H . 53501 1 218 . 1 . 1 138 138 ALA N N 15 128.138 . . . . . . . . 138 ALA N . 53501 1 stop_ save_