data_19412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19412 _Entry.Title ; K11-linked Diubiquitin average solution structure at pH 6.8, 150 mM NaCl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-03 _Entry.Accession_date 2013-08-03 _Entry.Last_release_date 2013-08-16 _Entry.Original_release_date 2013-08-16 _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 Carlos Castaneda . A. . . 19412 2 David Fushman . . . . 19412 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19412 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '150 mM NaCl' . 19412 K11 . 19412 average . 19412 diubiquitin . 19412 protein . 19412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 138 19412 '1H chemical shifts' 138 19412 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 . . 2023-09-25 2013-08-03 update BMRB 'update related entry loop' 19412 1 . . 2013-09-03 2013-08-03 original author 'original release' 19412 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19406 'K11-linked Ub2 average solution structure in the absence of NaCl' 19412 BMRB 52078 'Entry contains NMR signal assignments for wild-type K6-linked di-ubiquitin' 19412 BMRB 52105 'Entry contains NMR signal assignments for K6-linked di-ubiquitin with chain-terminating mutations' 19412 BMRB 52108 'Entry contains NMR signal assignments for K29-linked diubiquitin' 19412 BMRB 52115 'Entry contains NMR signal assignments for K33-linked diubiquitin' 19412 BMRB 52127 'Entry contains NMR signal assignments for K48-linked diubiquitin' 19412 BMRB 52139 'Entry contains NMR signal assignments for K48-linked di-ubiquitin' 19412 BMRB 52140 'Entry contains NMR signal assignments for K63-linked di-ubiquitin with chain-terminating mutations' 19412 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19412 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 23823328 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unique structural, dynamical, and functional properties of K11-linked polyubiquitin chains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 7 _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 1168 _Citation.Page_last 1181 _Citation.Year 2013 _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 Carlos Castaneda . A. . . 19412 1 2 Tanuja Kashyap . R. . . 19412 1 3 Mark Nakasone . A. . . 19412 1 4 Susan Krueger . . . . 19412 1 5 David Fushman . . . . 19412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19412 _Assembly.ID 1 _Assembly.Name 'K11-linked Diubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'K11-linked Diubiquitin_1' 1 $entity A . yes native no no . . . 19412 1 2 'K11-linked Diubiquitin_2' 1 $entity B . yes native no no . . . 19412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGGMQIF VKTLTGKTITLEVEPSDTIE NVKAKIQDKEGIPPDQQRLI FAGKQLEDGRTLSDYNIQKE STLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-76 chain A are distal Ub residues, while residues 1-76 chain B are proximal Ub residues. K11 linkage occurs between K11 of chain B and G76 of chain A. ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; A: K11RK63R B: K63RD77 ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.914 _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 . 19412 1 2 . GLN . 19412 1 3 . ILE . 19412 1 4 . PHE . 19412 1 5 . VAL . 19412 1 6 . LYS . 19412 1 7 . THR . 19412 1 8 . LEU . 19412 1 9 . THR . 19412 1 10 . GLY . 19412 1 11 . LYS . 19412 1 12 . THR . 19412 1 13 . ILE . 19412 1 14 . THR . 19412 1 15 . LEU . 19412 1 16 . GLU . 19412 1 17 . VAL . 19412 1 18 . GLU . 19412 1 19 . PRO . 19412 1 20 . SER . 19412 1 21 . ASP . 19412 1 22 . THR . 19412 1 23 . ILE . 19412 1 24 . GLU . 19412 1 25 . ASN . 19412 1 26 . VAL . 19412 1 27 . LYS . 19412 1 28 . ALA . 19412 1 29 . LYS . 19412 1 30 . ILE . 19412 1 31 . GLN . 19412 1 32 . ASP . 19412 1 33 . LYS . 19412 1 34 . GLU . 19412 1 35 . GLY . 19412 1 36 . ILE . 19412 1 37 . PRO . 19412 1 38 . PRO . 19412 1 39 . ASP . 19412 1 40 . GLN . 19412 1 41 . GLN . 19412 1 42 . ARG . 19412 1 43 . LEU . 19412 1 44 . ILE . 19412 1 45 . PHE . 19412 1 46 . ALA . 19412 1 47 . GLY . 19412 1 48 . LYS . 19412 1 49 . GLN . 19412 1 50 . LEU . 19412 1 51 . GLU . 19412 1 52 . ASP . 19412 1 53 . GLY . 19412 1 54 . ARG . 19412 1 55 . THR . 19412 1 56 . LEU . 19412 1 57 . SER . 19412 1 58 . ASP . 19412 1 59 . TYR . 19412 1 60 . ASN . 19412 1 61 . ILE . 19412 1 62 . GLN . 19412 1 63 . LYS . 19412 1 64 . GLU . 19412 1 65 . SER . 19412 1 66 . THR . 19412 1 67 . LEU . 19412 1 68 . HIS . 19412 1 69 . LEU . 19412 1 70 . VAL . 19412 1 71 . LEU . 19412 1 72 . ARG . 19412 1 73 . LEU . 19412 1 74 . ARG . 19412 1 75 . GLY . 19412 1 76 . GLY . 19412 1 77 . MET . 19412 1 78 . GLN . 19412 1 79 . ILE . 19412 1 80 . PHE . 19412 1 81 . VAL . 19412 1 82 . LYS . 19412 1 83 . THR . 19412 1 84 . LEU . 19412 1 85 . THR . 19412 1 86 . GLY . 19412 1 87 . LYS . 19412 1 88 . THR . 19412 1 89 . ILE . 19412 1 90 . THR . 19412 1 91 . LEU . 19412 1 92 . GLU . 19412 1 93 . VAL . 19412 1 94 . GLU . 19412 1 95 . PRO . 19412 1 96 . SER . 19412 1 97 . ASP . 19412 1 98 . THR . 19412 1 99 . ILE . 19412 1 100 . GLU . 19412 1 101 . ASN . 19412 1 102 . VAL . 19412 1 103 . LYS . 19412 1 104 . ALA . 19412 1 105 . LYS . 19412 1 106 . ILE . 19412 1 107 . GLN . 19412 1 108 . ASP . 19412 1 109 . LYS . 19412 1 110 . GLU . 19412 1 111 . GLY . 19412 1 112 . ILE . 19412 1 113 . PRO . 19412 1 114 . PRO . 19412 1 115 . ASP . 19412 1 116 . GLN . 19412 1 117 . GLN . 19412 1 118 . ARG . 19412 1 119 . LEU . 19412 1 120 . ILE . 19412 1 121 . PHE . 19412 1 122 . ALA . 19412 1 123 . GLY . 19412 1 124 . LYS . 19412 1 125 . GLN . 19412 1 126 . LEU . 19412 1 127 . GLU . 19412 1 128 . ASP . 19412 1 129 . GLY . 19412 1 130 . ARG . 19412 1 131 . THR . 19412 1 132 . LEU . 19412 1 133 . SER . 19412 1 134 . ASP . 19412 1 135 . TYR . 19412 1 136 . ASN . 19412 1 137 . ILE . 19412 1 138 . GLN . 19412 1 139 . LYS . 19412 1 140 . GLU . 19412 1 141 . SER . 19412 1 142 . THR . 19412 1 143 . LEU . 19412 1 144 . HIS . 19412 1 145 . LEU . 19412 1 146 . VAL . 19412 1 147 . LEU . 19412 1 148 . ARG . 19412 1 149 . LEU . 19412 1 150 . ARG . 19412 1 151 . GLY . 19412 1 152 . GLY . 19412 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 19412 1 . GLN 2 2 19412 1 . ILE 3 3 19412 1 . PHE 4 4 19412 1 . VAL 5 5 19412 1 . LYS 6 6 19412 1 . THR 7 7 19412 1 . LEU 8 8 19412 1 . THR 9 9 19412 1 . GLY 10 10 19412 1 . LYS 11 11 19412 1 . THR 12 12 19412 1 . ILE 13 13 19412 1 . THR 14 14 19412 1 . LEU 15 15 19412 1 . GLU 16 16 19412 1 . VAL 17 17 19412 1 . GLU 18 18 19412 1 . PRO 19 19 19412 1 . SER 20 20 19412 1 . ASP 21 21 19412 1 . THR 22 22 19412 1 . ILE 23 23 19412 1 . GLU 24 24 19412 1 . ASN 25 25 19412 1 . VAL 26 26 19412 1 . LYS 27 27 19412 1 . ALA 28 28 19412 1 . LYS 29 29 19412 1 . ILE 30 30 19412 1 . GLN 31 31 19412 1 . ASP 32 32 19412 1 . LYS 33 33 19412 1 . GLU 34 34 19412 1 . GLY 35 35 19412 1 . ILE 36 36 19412 1 . PRO 37 37 19412 1 . PRO 38 38 19412 1 . ASP 39 39 19412 1 . GLN 40 40 19412 1 . GLN 41 41 19412 1 . ARG 42 42 19412 1 . LEU 43 43 19412 1 . ILE 44 44 19412 1 . PHE 45 45 19412 1 . ALA 46 46 19412 1 . GLY 47 47 19412 1 . LYS 48 48 19412 1 . GLN 49 49 19412 1 . LEU 50 50 19412 1 . GLU 51 51 19412 1 . ASP 52 52 19412 1 . GLY 53 53 19412 1 . ARG 54 54 19412 1 . THR 55 55 19412 1 . LEU 56 56 19412 1 . SER 57 57 19412 1 . ASP 58 58 19412 1 . TYR 59 59 19412 1 . ASN 60 60 19412 1 . ILE 61 61 19412 1 . GLN 62 62 19412 1 . LYS 63 63 19412 1 . GLU 64 64 19412 1 . SER 65 65 19412 1 . THR 66 66 19412 1 . LEU 67 67 19412 1 . HIS 68 68 19412 1 . LEU 69 69 19412 1 . VAL 70 70 19412 1 . LEU 71 71 19412 1 . ARG 72 72 19412 1 . LEU 73 73 19412 1 . ARG 74 74 19412 1 . GLY 75 75 19412 1 . GLY 76 76 19412 1 . MET 77 77 19412 1 . GLN 78 78 19412 1 . ILE 79 79 19412 1 . PHE 80 80 19412 1 . VAL 81 81 19412 1 . LYS 82 82 19412 1 . THR 83 83 19412 1 . LEU 84 84 19412 1 . THR 85 85 19412 1 . GLY 86 86 19412 1 . LYS 87 87 19412 1 . THR 88 88 19412 1 . ILE 89 89 19412 1 . THR 90 90 19412 1 . LEU 91 91 19412 1 . GLU 92 92 19412 1 . VAL 93 93 19412 1 . GLU 94 94 19412 1 . PRO 95 95 19412 1 . SER 96 96 19412 1 . ASP 97 97 19412 1 . THR 98 98 19412 1 . ILE 99 99 19412 1 . GLU 100 100 19412 1 . ASN 101 101 19412 1 . VAL 102 102 19412 1 . LYS 103 103 19412 1 . ALA 104 104 19412 1 . LYS 105 105 19412 1 . ILE 106 106 19412 1 . GLN 107 107 19412 1 . ASP 108 108 19412 1 . LYS 109 109 19412 1 . GLU 110 110 19412 1 . GLY 111 111 19412 1 . ILE 112 112 19412 1 . PRO 113 113 19412 1 . PRO 114 114 19412 1 . ASP 115 115 19412 1 . GLN 116 116 19412 1 . GLN 117 117 19412 1 . ARG 118 118 19412 1 . LEU 119 119 19412 1 . ILE 120 120 19412 1 . PHE 121 121 19412 1 . ALA 122 122 19412 1 . GLY 123 123 19412 1 . LYS 124 124 19412 1 . GLN 125 125 19412 1 . LEU 126 126 19412 1 . GLU 127 127 19412 1 . ASP 128 128 19412 1 . GLY 129 129 19412 1 . ARG 130 130 19412 1 . THR 131 131 19412 1 . LEU 132 132 19412 1 . SER 133 133 19412 1 . ASP 134 134 19412 1 . TYR 135 135 19412 1 . ASN 136 136 19412 1 . ILE 137 137 19412 1 . GLN 138 138 19412 1 . LYS 139 139 19412 1 . GLU 140 140 19412 1 . SER 141 141 19412 1 . THR 142 142 19412 1 . LEU 143 143 19412 1 . HIS 144 144 19412 1 . LEU 145 145 19412 1 . VAL 146 146 19412 1 . LEU 147 147 19412 1 . ARG 148 148 19412 1 . LEU 149 149 19412 1 . ARG 150 150 19412 1 . GLY 151 151 19412 1 . GLY 152 152 19412 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19412 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19412 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19412 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pJY2' . . . . . pet3a . . 'Ubiquitin monomers were expressed in E. coli. The dimer was enzymatically assembled using E1 and Ube2S E2.' 19412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19412 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'K11 diubiquitin' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 15N]' . . 1 $entity . . 75 . . uM . . . . 19412 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19412 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19412 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19412 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19412 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19412 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '150 mM NaCl' 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' 150 . mM 19412 1 pH 6.8 . pH 19412 1 pressure 1 . atm 19412 1 temperature 296 . K 19412 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19412 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19412 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 19412 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19412 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19412 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 19412 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19412 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19412 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 19412 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19412 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19412 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19412 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19412 1 2 '2D 1H-15N IPAP HSQC' no . . 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19412 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19412 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.7 internal direct 1.00000000 . . . . . 19412 1 N 15 water protons . . . . ppm 4.7 na indirect 0.10000000 . . . . . 19412 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19412 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' 1 $sample_1 . 19412 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN H H 1 8.868 . . . . . . . A 2 GLN H . 19412 1 2 . 1 . 1 2 2 GLN N N 15 123.029 . . . . . . . A 2 GLN N . 19412 1 3 . 1 . 1 3 3 ILE H H 1 8.284 . . . . . . . A 3 ILE H . 19412 1 4 . 1 . 1 3 3 ILE N N 15 115.106 . . . . . . . A 3 ILE N . 19412 1 5 . 1 . 1 4 4 PHE H H 1 8.571 . . . . . . . A 4 PHE H . 19412 1 6 . 1 . 1 4 4 PHE N N 15 118.718 . . . . . . . A 4 PHE N . 19412 1 7 . 1 . 1 5 5 VAL H H 1 9.278 . . . . . . . A 5 VAL H . 19412 1 8 . 1 . 1 5 5 VAL N N 15 121.612 . . . . . . . A 5 VAL N . 19412 1 9 . 1 . 1 6 6 LYS H H 1 9.032 . . . . . . . A 6 LYS H . 19412 1 10 . 1 . 1 6 6 LYS N N 15 128.105 . . . . . . . A 6 LYS N . 19412 1 11 . 1 . 1 7 7 THR H H 1 8.625 . . . . . . . A 7 THR H . 19412 1 12 . 1 . 1 7 7 THR N N 15 115.240 . . . . . . . A 7 THR N . 19412 1 13 . 1 . 1 8 8 LEU H H 1 9.194 . . . . . . . A 8 LEU H . 19412 1 14 . 1 . 1 8 8 LEU N N 15 121.612 . . . . . . . A 8 LEU N . 19412 1 15 . 1 . 1 9 9 THR H H 1 7.618 . . . . . . . A 9 THR H . 19412 1 16 . 1 . 1 9 9 THR N N 15 105.816 . . . . . . . A 9 THR N . 19412 1 17 . 1 . 1 10 10 GLY H H 1 7.849 . . . . . . . A 10 GLY H . 19412 1 18 . 1 . 1 10 10 GLY N N 15 109.497 . . . . . . . A 10 GLY N . 19412 1 19 . 1 . 1 11 11 LYS H H 1 7.252 . . . . . . . A 11 LYS H . 19412 1 20 . 1 . 1 11 11 LYS N N 15 121.511 . . . . . . . A 11 LYS N . 19412 1 21 . 1 . 1 12 12 THR H H 1 8.652 . . . . . . . A 12 THR H . 19412 1 22 . 1 . 1 12 12 THR N N 15 120.259 . . . . . . . A 12 THR N . 19412 1 23 . 1 . 1 13 13 ILE H H 1 9.519 . . . . . . . A 13 ILE H . 19412 1 24 . 1 . 1 13 13 ILE N N 15 127.689 . . . . . . . A 13 ILE N . 19412 1 25 . 1 . 1 14 14 THR H H 1 8.712 . . . . . . . A 14 THR H . 19412 1 26 . 1 . 1 14 14 THR N N 15 121.636 . . . . . . . A 14 THR N . 19412 1 27 . 1 . 1 15 15 LEU H H 1 8.676 . . . . . . . A 15 LEU H . 19412 1 28 . 1 . 1 15 15 LEU N N 15 125.124 . . . . . . . A 15 LEU N . 19412 1 29 . 1 . 1 16 16 GLU H H 1 8.114 . . . . . . . A 16 GLU H . 19412 1 30 . 1 . 1 16 16 GLU N N 15 122.775 . . . . . . . A 16 GLU N . 19412 1 31 . 1 . 1 17 17 VAL H H 1 8.913 . . . . . . . A 17 VAL H . 19412 1 32 . 1 . 1 17 17 VAL N N 15 117.682 . . . . . . . A 17 VAL N . 19412 1 33 . 1 . 1 18 18 GLU H H 1 8.635 . . . . . . . A 18 GLU H . 19412 1 34 . 1 . 1 18 18 GLU N N 15 119.386 . . . . . . . A 18 GLU N . 19412 1 35 . 1 . 1 20 20 SER H H 1 7.010 . . . . . . . A 20 SER H . 19412 1 36 . 1 . 1 20 20 SER N N 15 103.545 . . . . . . . A 20 SER N . 19412 1 37 . 1 . 1 21 21 ASP H H 1 8.034 . . . . . . . A 21 ASP H . 19412 1 38 . 1 . 1 21 21 ASP N N 15 124.073 . . . . . . . A 21 ASP N . 19412 1 39 . 1 . 1 22 22 THR H H 1 7.858 . . . . . . . A 22 THR H . 19412 1 40 . 1 . 1 22 22 THR N N 15 109.123 . . . . . . . A 22 THR N . 19412 1 41 . 1 . 1 23 23 ILE H H 1 8.508 . . . . . . . A 23 ILE H . 19412 1 42 . 1 . 1 23 23 ILE N N 15 121.422 . . . . . . . A 23 ILE N . 19412 1 43 . 1 . 1 25 25 ASN H H 1 7.909 . . . . . . . A 25 ASN H . 19412 1 44 . 1 . 1 25 25 ASN N N 15 121.486 . . . . . . . A 25 ASN N . 19412 1 45 . 1 . 1 26 26 VAL H H 1 8.100 . . . . . . . A 26 VAL H . 19412 1 46 . 1 . 1 26 26 VAL N N 15 122.416 . . . . . . . A 26 VAL N . 19412 1 47 . 1 . 1 27 27 LYS H H 1 8.540 . . . . . . . A 27 LYS H . 19412 1 48 . 1 . 1 27 27 LYS N N 15 119.120 . . . . . . . A 27 LYS N . 19412 1 49 . 1 . 1 28 28 ALA H H 1 7.964 . . . . . . . A 28 ALA H . 19412 1 50 . 1 . 1 28 28 ALA N N 15 123.624 . . . . . . . A 28 ALA N . 19412 1 51 . 1 . 1 29 29 LYS H H 1 7.849 . . . . . . . A 29 LYS H . 19412 1 52 . 1 . 1 29 29 LYS N N 15 120.481 . . . . . . . A 29 LYS N . 19412 1 53 . 1 . 1 30 30 ILE H H 1 8.271 . . . . . . . A 30 ILE H . 19412 1 54 . 1 . 1 30 30 ILE N N 15 121.521 . . . . . . . A 30 ILE N . 19412 1 55 . 1 . 1 31 31 GLN H H 1 8.547 . . . . . . . A 31 GLN H . 19412 1 56 . 1 . 1 31 31 GLN N N 15 123.679 . . . . . . . A 31 GLN N . 19412 1 57 . 1 . 1 32 32 ASP H H 1 8.031 . . . . . . . A 32 ASP H . 19412 1 58 . 1 . 1 32 32 ASP N N 15 120.006 . . . . . . . A 32 ASP N . 19412 1 59 . 1 . 1 33 33 LYS H H 1 7.421 . . . . . . . A 33 LYS H . 19412 1 60 . 1 . 1 33 33 LYS N N 15 115.673 . . . . . . . A 33 LYS N . 19412 1 61 . 1 . 1 34 34 GLU H H 1 8.725 . . . . . . . A 34 GLU H . 19412 1 62 . 1 . 1 34 34 GLU N N 15 114.226 . . . . . . . A 34 GLU N . 19412 1 63 . 1 . 1 35 35 GLY H H 1 8.498 . . . . . . . A 35 GLY H . 19412 1 64 . 1 . 1 35 35 GLY N N 15 108.975 . . . . . . . A 35 GLY N . 19412 1 65 . 1 . 1 39 39 ASP H H 1 8.521 . . . . . . . A 39 ASP H . 19412 1 66 . 1 . 1 39 39 ASP N N 15 113.761 . . . . . . . A 39 ASP N . 19412 1 67 . 1 . 1 40 40 GLN H H 1 7.798 . . . . . . . A 40 GLN H . 19412 1 68 . 1 . 1 40 40 GLN N N 15 116.978 . . . . . . . A 40 GLN N . 19412 1 69 . 1 . 1 41 41 GLN H H 1 7.472 . . . . . . . A 41 GLN H . 19412 1 70 . 1 . 1 41 41 GLN N N 15 118.137 . . . . . . . A 41 GLN N . 19412 1 71 . 1 . 1 42 42 ARG H H 1 8.476 . . . . . . . A 42 ARG H . 19412 1 72 . 1 . 1 42 42 ARG N N 15 123.155 . . . . . . . A 42 ARG N . 19412 1 73 . 1 . 1 43 43 LEU H H 1 8.759 . . . . . . . A 43 LEU H . 19412 1 74 . 1 . 1 43 43 LEU N N 15 124.507 . . . . . . . A 43 LEU N . 19412 1 75 . 1 . 1 44 44 ILE H H 1 9.108 . . . . . . . A 44 ILE H . 19412 1 76 . 1 . 1 44 44 ILE N N 15 122.610 . . . . . . . A 44 ILE N . 19412 1 77 . 1 . 1 45 45 PHE H H 1 8.824 . . . . . . . A 45 PHE H . 19412 1 78 . 1 . 1 45 45 PHE N N 15 125.092 . . . . . . . A 45 PHE N . 19412 1 79 . 1 . 1 46 46 ALA H H 1 8.986 . . . . . . . A 46 ALA H . 19412 1 80 . 1 . 1 46 46 ALA N N 15 133.179 . . . . . . . A 46 ALA N . 19412 1 81 . 1 . 1 47 47 GLY H H 1 8.117 . . . . . . . A 47 GLY H . 19412 1 82 . 1 . 1 47 47 GLY N N 15 102.661 . . . . . . . A 47 GLY N . 19412 1 83 . 1 . 1 48 48 LYS H H 1 7.936 . . . . . . . A 48 LYS H . 19412 1 84 . 1 . 1 48 48 LYS N N 15 122.016 . . . . . . . A 48 LYS N . 19412 1 85 . 1 . 1 49 49 GLN H H 1 8.642 . . . . . . . A 49 GLN H . 19412 1 86 . 1 . 1 49 49 GLN N N 15 123.222 . . . . . . . A 49 GLN N . 19412 1 87 . 1 . 1 50 50 LEU H H 1 8.531 . . . . . . . A 50 LEU H . 19412 1 88 . 1 . 1 50 50 LEU N N 15 125.699 . . . . . . . A 50 LEU N . 19412 1 89 . 1 . 1 51 51 GLU H H 1 8.390 . . . . . . . A 51 GLU H . 19412 1 90 . 1 . 1 51 51 GLU N N 15 123.318 . . . . . . . A 51 GLU N . 19412 1 91 . 1 . 1 52 52 ASP H H 1 8.157 . . . . . . . A 52 ASP H . 19412 1 92 . 1 . 1 52 52 ASP N N 15 120.611 . . . . . . . A 52 ASP N . 19412 1 93 . 1 . 1 54 54 ARG H H 1 7.434 . . . . . . . A 54 ARG H . 19412 1 94 . 1 . 1 54 54 ARG N N 15 119.537 . . . . . . . A 54 ARG N . 19412 1 95 . 1 . 1 55 55 THR H H 1 8.808 . . . . . . . A 55 THR H . 19412 1 96 . 1 . 1 55 55 THR N N 15 108.948 . . . . . . . A 55 THR N . 19412 1 97 . 1 . 1 56 56 LEU H H 1 8.137 . . . . . . . A 56 LEU H . 19412 1 98 . 1 . 1 56 56 LEU N N 15 118.142 . . . . . . . A 56 LEU N . 19412 1 99 . 1 . 1 57 57 SER H H 1 8.441 . . . . . . . A 57 SER H . 19412 1 100 . 1 . 1 57 57 SER N N 15 113.575 . . . . . . . A 57 SER N . 19412 1 101 . 1 . 1 58 58 ASP H H 1 7.918 . . . . . . . A 58 ASP H . 19412 1 102 . 1 . 1 58 58 ASP N N 15 124.676 . . . . . . . A 58 ASP N . 19412 1 103 . 1 . 1 59 59 TYR H H 1 7.235 . . . . . . . A 59 TYR H . 19412 1 104 . 1 . 1 59 59 TYR N N 15 115.914 . . . . . . . A 59 TYR N . 19412 1 105 . 1 . 1 60 60 ASN H H 1 8.125 . . . . . . . A 60 ASN H . 19412 1 106 . 1 . 1 60 60 ASN N N 15 115.972 . . . . . . . A 60 ASN N . 19412 1 107 . 1 . 1 61 61 ILE H H 1 7.241 . . . . . . . A 61 ILE H . 19412 1 108 . 1 . 1 61 61 ILE N N 15 119.163 . . . . . . . A 61 ILE N . 19412 1 109 . 1 . 1 62 62 GLN H H 1 7.643 . . . . . . . A 62 GLN H . 19412 1 110 . 1 . 1 62 62 GLN N N 15 125.087 . . . . . . . A 62 GLN N . 19412 1 111 . 1 . 1 63 63 LYS H H 1 8.452 . . . . . . . A 63 LYS H . 19412 1 112 . 1 . 1 63 63 LYS N N 15 120.602 . . . . . . . A 63 LYS N . 19412 1 113 . 1 . 1 64 64 GLU H H 1 9.287 . . . . . . . A 64 GLU H . 19412 1 114 . 1 . 1 64 64 GLU N N 15 115.358 . . . . . . . A 64 GLU N . 19412 1 115 . 1 . 1 65 65 SER H H 1 7.724 . . . . . . . A 65 SER H . 19412 1 116 . 1 . 1 65 65 SER N N 15 115.187 . . . . . . . A 65 SER N . 19412 1 117 . 1 . 1 66 66 THR H H 1 8.681 . . . . . . . A 66 THR H . 19412 1 118 . 1 . 1 66 66 THR N N 15 117.545 . . . . . . . A 66 THR N . 19412 1 119 . 1 . 1 67 67 LEU H H 1 9.377 . . . . . . . A 67 LEU H . 19412 1 120 . 1 . 1 67 67 LEU N N 15 127.981 . . . . . . . A 67 LEU N . 19412 1 121 . 1 . 1 68 68 HIS H H 1 9.223 . . . . . . . A 68 HIS H . 19412 1 122 . 1 . 1 68 68 HIS N N 15 119.683 . . . . . . . A 68 HIS N . 19412 1 123 . 1 . 1 69 69 LEU H H 1 8.272 . . . . . . . A 69 LEU H . 19412 1 124 . 1 . 1 69 69 LEU N N 15 123.979 . . . . . . . A 69 LEU N . 19412 1 125 . 1 . 1 70 70 VAL H H 1 9.145 . . . . . . . A 70 VAL H . 19412 1 126 . 1 . 1 70 70 VAL N N 15 126.790 . . . . . . . A 70 VAL N . 19412 1 127 . 1 . 1 71 71 LEU H H 1 8.187 . . . . . . . A 71 LEU H . 19412 1 128 . 1 . 1 71 71 LEU N N 15 123.635 . . . . . . . A 71 LEU N . 19412 1 129 . 1 . 1 72 72 ARG H H 1 8.518 . . . . . . . A 72 ARG H . 19412 1 130 . 1 . 1 72 72 ARG N N 15 123.425 . . . . . . . A 72 ARG N . 19412 1 131 . 1 . 1 73 73 LEU H H 1 8.307 . . . . . . . A 73 LEU H . 19412 1 132 . 1 . 1 73 73 LEU N N 15 123.973 . . . . . . . A 73 LEU N . 19412 1 133 . 1 . 1 74 74 ARG H H 1 8.589 . . . . . . . A 74 ARG H . 19412 1 134 . 1 . 1 74 74 ARG N N 15 122.227 . . . . . . . A 74 ARG N . 19412 1 135 . 1 . 1 75 75 GLY H H 1 8.655 . . . . . . . A 75 GLY H . 19412 1 136 . 1 . 1 75 75 GLY N N 15 110.300 . . . . . . . A 75 GLY N . 19412 1 137 . 1 . 1 76 76 GLY H H 1 8.295 . . . . . . . A 76 GLY H . 19412 1 138 . 1 . 1 76 76 GLY N N 15 108.902 . . . . . . . A 76 GLY N . 19412 1 stop_ save_ save_chainB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chainB _Assigned_chem_shift_list.Entry_ID 19412 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 $chemical_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' 1 $sample_1 . 19412 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 . 1 2 2 GLN H H 1 8.880 . . . . . . . B 2 GLN H . 19412 2 2 . 2 . 1 2 2 GLN N N 15 123.236 . . . . . . . B 2 GLN N . 19412 2 3 . 2 . 1 3 3 ILE H H 1 8.279 . . . . . . . B 3 ILE H . 19412 2 4 . 2 . 1 3 3 ILE N N 15 115.200 . . . . . . . B 3 ILE N . 19412 2 5 . 2 . 1 4 4 PHE H H 1 8.557 . . . . . . . B 4 PHE H . 19412 2 6 . 2 . 1 4 4 PHE N N 15 118.584 . . . . . . . B 4 PHE N . 19412 2 7 . 2 . 1 5 5 VAL H H 1 9.264 . . . . . . . B 5 VAL H . 19412 2 8 . 2 . 1 5 5 VAL N N 15 121.742 . . . . . . . B 5 VAL N . 19412 2 9 . 2 . 1 6 6 LYS H H 1 8.973 . . . . . . . B 6 LYS H . 19412 2 10 . 2 . 1 6 6 LYS N N 15 127.775 . . . . . . . B 6 LYS N . 19412 2 11 . 2 . 1 7 7 THR H H 1 8.643 . . . . . . . B 7 THR H . 19412 2 12 . 2 . 1 7 7 THR N N 15 114.483 . . . . . . . B 7 THR N . 19412 2 13 . 2 . 1 8 8 LEU H H 1 9.243 . . . . . . . B 8 LEU H . 19412 2 14 . 2 . 1 8 8 LEU N N 15 121.566 . . . . . . . B 8 LEU N . 19412 2 15 . 2 . 1 9 9 THR H H 1 7.588 . . . . . . . B 9 THR H . 19412 2 16 . 2 . 1 9 9 THR N N 15 105.794 . . . . . . . B 9 THR N . 19412 2 17 . 2 . 1 10 10 GLY H H 1 7.756 . . . . . . . B 10 GLY H . 19412 2 18 . 2 . 1 10 10 GLY N N 15 109.060 . . . . . . . B 10 GLY N . 19412 2 19 . 2 . 1 11 11 LYS H H 1 7.256 . . . . . . . B 11 LYS H . 19412 2 20 . 2 . 1 11 11 LYS N N 15 122.217 . . . . . . . B 11 LYS N . 19412 2 21 . 2 . 1 12 12 THR H H 1 8.518 . . . . . . . B 12 THR H . 19412 2 22 . 2 . 1 12 12 THR N N 15 119.619 . . . . . . . B 12 THR N . 19412 2 23 . 2 . 1 13 13 ILE H H 1 9.540 . . . . . . . B 13 ILE H . 19412 2 24 . 2 . 1 13 13 ILE N N 15 127.701 . . . . . . . B 13 ILE N . 19412 2 25 . 2 . 1 14 14 THR H H 1 8.725 . . . . . . . B 14 THR H . 19412 2 26 . 2 . 1 14 14 THR N N 15 121.866 . . . . . . . B 14 THR N . 19412 2 27 . 2 . 1 15 15 LEU H H 1 8.640 . . . . . . . B 15 LEU H . 19412 2 28 . 2 . 1 15 15 LEU N N 15 125.088 . . . . . . . B 15 LEU N . 19412 2 29 . 2 . 1 16 16 GLU H H 1 8.108 . . . . . . . B 16 GLU H . 19412 2 30 . 2 . 1 16 16 GLU N N 15 122.786 . . . . . . . B 16 GLU N . 19412 2 31 . 2 . 1 17 17 VAL H H 1 8.917 . . . . . . . B 17 VAL H . 19412 2 32 . 2 . 1 17 17 VAL N N 15 117.749 . . . . . . . B 17 VAL N . 19412 2 33 . 2 . 1 18 18 GLU H H 1 8.630 . . . . . . . B 18 GLU H . 19412 2 34 . 2 . 1 18 18 GLU N N 15 119.401 . . . . . . . B 18 GLU N . 19412 2 35 . 2 . 1 20 20 SER H H 1 7.003 . . . . . . . B 20 SER H . 19412 2 36 . 2 . 1 20 20 SER N N 15 103.525 . . . . . . . B 20 SER N . 19412 2 37 . 2 . 1 21 21 ASP H H 1 8.033 . . . . . . . B 21 ASP H . 19412 2 38 . 2 . 1 21 21 ASP N N 15 124.103 . . . . . . . B 21 ASP N . 19412 2 39 . 2 . 1 22 22 THR H H 1 7.858 . . . . . . . B 22 THR H . 19412 2 40 . 2 . 1 22 22 THR N N 15 109.129 . . . . . . . B 22 THR N . 19412 2 41 . 2 . 1 23 23 ILE H H 1 8.495 . . . . . . . B 23 ILE H . 19412 2 42 . 2 . 1 23 23 ILE N N 15 121.543 . . . . . . . B 23 ILE N . 19412 2 43 . 2 . 1 25 25 ASN H H 1 7.904 . . . . . . . B 25 ASN H . 19412 2 44 . 2 . 1 25 25 ASN N N 15 121.427 . . . . . . . B 25 ASN N . 19412 2 45 . 2 . 1 26 26 VAL H H 1 8.106 . . . . . . . B 26 VAL H . 19412 2 46 . 2 . 1 26 26 VAL N N 15 122.552 . . . . . . . B 26 VAL N . 19412 2 47 . 2 . 1 27 27 LYS H H 1 8.494 . . . . . . . B 27 LYS H . 19412 2 48 . 2 . 1 27 27 LYS N N 15 119.073 . . . . . . . B 27 LYS N . 19412 2 49 . 2 . 1 28 28 ALA H H 1 7.958 . . . . . . . B 28 ALA H . 19412 2 50 . 2 . 1 28 28 ALA N N 15 123.429 . . . . . . . B 28 ALA N . 19412 2 51 . 2 . 1 29 29 LYS H H 1 7.905 . . . . . . . B 29 LYS H . 19412 2 52 . 2 . 1 29 29 LYS N N 15 120.622 . . . . . . . B 29 LYS N . 19412 2 53 . 2 . 1 30 30 ILE H H 1 8.233 . . . . . . . B 30 ILE H . 19412 2 54 . 2 . 1 30 30 ILE N N 15 121.781 . . . . . . . B 30 ILE N . 19412 2 55 . 2 . 1 31 31 GLN H H 1 8.453 . . . . . . . B 31 GLN H . 19412 2 56 . 2 . 1 31 31 GLN N N 15 123.419 . . . . . . . B 31 GLN N . 19412 2 57 . 2 . 1 32 32 ASP H H 1 8.130 . . . . . . . B 32 ASP H . 19412 2 58 . 2 . 1 32 32 ASP N N 15 120.245 . . . . . . . B 32 ASP N . 19412 2 59 . 2 . 1 33 33 LYS H H 1 7.526 . . . . . . . B 33 LYS H . 19412 2 60 . 2 . 1 33 33 LYS N N 15 115.791 . . . . . . . B 33 LYS N . 19412 2 61 . 2 . 1 34 34 GLU H H 1 8.601 . . . . . . . B 34 GLU H . 19412 2 62 . 2 . 1 34 34 GLU N N 15 113.553 . . . . . . . B 34 GLU N . 19412 2 63 . 2 . 1 35 35 GLY H H 1 8.480 . . . . . . . B 35 GLY H . 19412 2 64 . 2 . 1 35 35 GLY N N 15 109.192 . . . . . . . B 35 GLY N . 19412 2 65 . 2 . 1 39 39 ASP H H 1 8.517 . . . . . . . B 39 ASP H . 19412 2 66 . 2 . 1 39 39 ASP N N 15 113.827 . . . . . . . B 39 ASP N . 19412 2 67 . 2 . 1 40 40 GLN H H 1 7.755 . . . . . . . B 40 GLN H . 19412 2 68 . 2 . 1 40 40 GLN N N 15 116.970 . . . . . . . B 40 GLN N . 19412 2 69 . 2 . 1 41 41 GLN H H 1 7.458 . . . . . . . B 41 GLN H . 19412 2 70 . 2 . 1 41 41 GLN N N 15 118.013 . . . . . . . B 41 GLN N . 19412 2 71 . 2 . 1 42 42 ARG H H 1 8.453 . . . . . . . B 42 ARG H . 19412 2 72 . 2 . 1 42 42 ARG N N 15 123.419 . . . . . . . B 42 ARG N . 19412 2 73 . 2 . 1 43 43 LEU H H 1 8.738 . . . . . . . B 43 LEU H . 19412 2 74 . 2 . 1 43 43 LEU N N 15 124.728 . . . . . . . B 43 LEU N . 19412 2 75 . 2 . 1 44 44 ILE H H 1 9.138 . . . . . . . B 44 ILE H . 19412 2 76 . 2 . 1 44 44 ILE N N 15 122.673 . . . . . . . B 44 ILE N . 19412 2 77 . 2 . 1 45 45 PHE H H 1 8.791 . . . . . . . B 45 PHE H . 19412 2 78 . 2 . 1 45 45 PHE N N 15 124.936 . . . . . . . B 45 PHE N . 19412 2 79 . 2 . 1 46 46 ALA H H 1 8.963 . . . . . . . B 46 ALA H . 19412 2 80 . 2 . 1 46 46 ALA N N 15 133.183 . . . . . . . B 46 ALA N . 19412 2 81 . 2 . 1 47 47 GLY H H 1 8.115 . . . . . . . B 47 GLY H . 19412 2 82 . 2 . 1 47 47 GLY N N 15 102.679 . . . . . . . B 47 GLY N . 19412 2 83 . 2 . 1 48 48 LYS H H 1 7.925 . . . . . . . B 48 LYS H . 19412 2 84 . 2 . 1 48 48 LYS N N 15 122.115 . . . . . . . B 48 LYS N . 19412 2 85 . 2 . 1 49 49 GLN H H 1 8.635 . . . . . . . B 49 GLN H . 19412 2 86 . 2 . 1 49 49 GLN N N 15 123.259 . . . . . . . B 49 GLN N . 19412 2 87 . 2 . 1 50 50 LEU H H 1 8.534 . . . . . . . B 50 LEU H . 19412 2 88 . 2 . 1 50 50 LEU N N 15 125.722 . . . . . . . B 50 LEU N . 19412 2 89 . 2 . 1 51 51 GLU H H 1 8.389 . . . . . . . B 51 GLU H . 19412 2 90 . 2 . 1 51 51 GLU N N 15 123.340 . . . . . . . B 51 GLU N . 19412 2 91 . 2 . 1 52 52 ASP H H 1 8.163 . . . . . . . B 52 ASP H . 19412 2 92 . 2 . 1 52 52 ASP N N 15 120.653 . . . . . . . B 52 ASP N . 19412 2 93 . 2 . 1 54 54 ARG H H 1 7.441 . . . . . . . B 54 ARG H . 19412 2 94 . 2 . 1 54 54 ARG N N 15 119.577 . . . . . . . B 54 ARG N . 19412 2 95 . 2 . 1 55 55 THR H H 1 8.790 . . . . . . . B 55 THR H . 19412 2 96 . 2 . 1 55 55 THR N N 15 108.870 . . . . . . . B 55 THR N . 19412 2 97 . 2 . 1 56 56 LEU H H 1 8.128 . . . . . . . B 56 LEU H . 19412 2 98 . 2 . 1 56 56 LEU N N 15 118.171 . . . . . . . B 56 LEU N . 19412 2 99 . 2 . 1 57 57 SER H H 1 8.453 . . . . . . . B 57 SER H . 19412 2 100 . 2 . 1 57 57 SER N N 15 113.583 . . . . . . . B 57 SER N . 19412 2 101 . 2 . 1 58 58 ASP H H 1 7.916 . . . . . . . B 58 ASP H . 19412 2 102 . 2 . 1 58 58 ASP N N 15 124.699 . . . . . . . B 58 ASP N . 19412 2 103 . 2 . 1 59 59 TYR H H 1 7.228 . . . . . . . B 59 TYR H . 19412 2 104 . 2 . 1 59 59 TYR N N 15 115.935 . . . . . . . B 59 TYR N . 19412 2 105 . 2 . 1 60 60 ASN H H 1 8.119 . . . . . . . B 60 ASN H . 19412 2 106 . 2 . 1 60 60 ASN N N 15 115.961 . . . . . . . B 60 ASN N . 19412 2 107 . 2 . 1 61 61 ILE H H 1 7.234 . . . . . . . B 61 ILE H . 19412 2 108 . 2 . 1 61 61 ILE N N 15 119.171 . . . . . . . B 61 ILE N . 19412 2 109 . 2 . 1 62 62 GLN H H 1 7.640 . . . . . . . B 62 GLN H . 19412 2 110 . 2 . 1 62 62 GLN N N 15 125.047 . . . . . . . B 62 GLN N . 19412 2 111 . 2 . 1 63 63 LYS H H 1 8.450 . . . . . . . B 63 LYS H . 19412 2 112 . 2 . 1 63 63 LYS N N 15 120.600 . . . . . . . B 63 LYS N . 19412 2 113 . 2 . 1 64 64 GLU H H 1 9.286 . . . . . . . B 64 GLU H . 19412 2 114 . 2 . 1 64 64 GLU N N 15 115.431 . . . . . . . B 64 GLU N . 19412 2 115 . 2 . 1 65 65 SER H H 1 7.732 . . . . . . . B 65 SER H . 19412 2 116 . 2 . 1 65 65 SER N N 15 115.204 . . . . . . . B 65 SER N . 19412 2 117 . 2 . 1 66 66 THR H H 1 8.670 . . . . . . . B 66 THR H . 19412 2 118 . 2 . 1 66 66 THR N N 15 117.513 . . . . . . . B 66 THR N . 19412 2 119 . 2 . 1 67 67 LEU H H 1 9.384 . . . . . . . B 67 LEU H . 19412 2 120 . 2 . 1 67 67 LEU N N 15 128.045 . . . . . . . B 67 LEU N . 19412 2 121 . 2 . 1 68 68 HIS H H 1 9.198 . . . . . . . B 68 HIS H . 19412 2 122 . 2 . 1 68 68 HIS N N 15 119.763 . . . . . . . B 68 HIS N . 19412 2 123 . 2 . 1 69 69 LEU H H 1 8.314 . . . . . . . B 69 LEU H . 19412 2 124 . 2 . 1 69 69 LEU N N 15 124.082 . . . . . . . B 69 LEU N . 19412 2 125 . 2 . 1 70 70 VAL H H 1 9.145 . . . . . . . B 70 VAL H . 19412 2 126 . 2 . 1 70 70 VAL N N 15 126.987 . . . . . . . B 70 VAL N . 19412 2 127 . 2 . 1 71 71 LEU H H 1 8.203 . . . . . . . B 71 LEU H . 19412 2 128 . 2 . 1 71 71 LEU N N 15 124.144 . . . . . . . B 71 LEU N . 19412 2 129 . 2 . 1 72 72 ARG H H 1 8.550 . . . . . . . B 72 ARG H . 19412 2 130 . 2 . 1 72 72 ARG N N 15 124.225 . . . . . . . B 72 ARG N . 19412 2 131 . 2 . 1 73 73 LEU H H 1 8.334 . . . . . . . B 73 LEU H . 19412 2 132 . 2 . 1 73 73 LEU N N 15 124.375 . . . . . . . B 73 LEU N . 19412 2 133 . 2 . 1 74 74 ARG H H 1 8.487 . . . . . . . B 74 ARG H . 19412 2 134 . 2 . 1 74 74 ARG N N 15 121.748 . . . . . . . B 74 ARG N . 19412 2 135 . 2 . 1 75 75 GLY H H 1 8.576 . . . . . . . B 75 GLY H . 19412 2 136 . 2 . 1 75 75 GLY N N 15 110.516 . . . . . . . B 75 GLY N . 19412 2 137 . 2 . 1 76 76 GLY H H 1 8.178 . . . . . . . B 76 GLY H . 19412 2 138 . 2 . 1 76 76 GLY N N 15 109.292 . . . . . . . B 76 GLY N . 19412 2 stop_ save_