data_28059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28059 _Entry.Title ; 1H-15N backbone Heteronuclear NOE values for free and ssDNA complex forms of Human YB1 cold shock domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-02 _Entry.Accession_date 2020-01-02 _Entry.Last_release_date 2020-01-03 _Entry.Original_release_date 2020-01-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Jing-Song Fan . . . . 28059 2 Daiwen Yang . . . . 28059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 28059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 157 28059 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 . . 2020-10-08 2020-01-02 update BMRB 'update entry citation' 28059 1 . . 2020-01-17 2020-01-02 original author 'original release' 28059 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28059 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32710623 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 48 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 9361 _Citation.Page_last 9371 _Citation.Year 2020 _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 Jingfeng Zhang J. . . . 28059 1 2 Jing-Song Fan J. S. . . 28059 1 3 Shuangli Li S. . . . 28059 1 4 Yunhuang Yang Y. . . . 28059 1 5 Peng Sun P. . . . 28059 1 6 Qinjun Zhu Q. . . . 28059 1 7 Jiannan Wang J. . . . 28059 1 8 Bin Jiang B. . . . 28059 1 9 Daiwen Yang D. . . . 28059 1 10 Maili Liu M. . . . 28059 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 28059 1 'cold shock domain' 28059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28059 _Assembly.ID 1 _Assembly.Name 'CSD and ssDNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 CSD 1 $CSD A . yes native no no . . . 28059 1 2 ssDNA 2 $ssDNA B . no native no no . . . 28059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CSD _Entity.Sf_category entity _Entity.Sf_framecode CSD _Entity.Entry_ID 28059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CSD _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 ; MHHHHHHGGGGGGGGSSAAP AGGDKKVIATKVLGTVKWFN VRNGYGFINRNDTKEDVFVH QTAIKKNNPRKYLRSVGDGE TVEFDVVEGEKGAEAANVTG PGGVPVQGSKYAADRNH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 41,D 42,K 43,K ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 28 MET . 28059 1 2 29 HIS . 28059 1 3 30 HIS . 28059 1 4 31 HIS . 28059 1 5 32 HIS . 28059 1 6 33 HIS . 28059 1 7 34 HIS . 28059 1 8 35 GLY . 28059 1 9 36 GLY . 28059 1 10 37 GLY . 28059 1 11 38 GLY . 28059 1 12 39 GLY . 28059 1 13 40 GLY . 28059 1 14 41 GLY . 28059 1 15 42 GLY . 28059 1 16 43 SER . 28059 1 17 44 SER . 28059 1 18 45 ALA . 28059 1 19 46 ALA . 28059 1 20 47 PRO . 28059 1 21 48 ALA . 28059 1 22 49 GLY . 28059 1 23 50 GLY . 28059 1 24 51 ASP . 28059 1 25 52 LYS . 28059 1 26 53 LYS . 28059 1 27 54 VAL . 28059 1 28 55 ILE . 28059 1 29 56 ALA . 28059 1 30 57 THR . 28059 1 31 58 LYS . 28059 1 32 59 VAL . 28059 1 33 60 LEU . 28059 1 34 61 GLY . 28059 1 35 62 THR . 28059 1 36 63 VAL . 28059 1 37 64 LYS . 28059 1 38 65 TRP . 28059 1 39 66 PHE . 28059 1 40 67 ASN . 28059 1 41 68 VAL . 28059 1 42 69 ARG . 28059 1 43 70 ASN . 28059 1 44 71 GLY . 28059 1 45 72 TYR . 28059 1 46 73 GLY . 28059 1 47 74 PHE . 28059 1 48 75 ILE . 28059 1 49 76 ASN . 28059 1 50 77 ARG . 28059 1 51 78 ASN . 28059 1 52 79 ASP . 28059 1 53 80 THR . 28059 1 54 81 LYS . 28059 1 55 82 GLU . 28059 1 56 83 ASP . 28059 1 57 84 VAL . 28059 1 58 85 PHE . 28059 1 59 86 VAL . 28059 1 60 87 HIS . 28059 1 61 88 GLN . 28059 1 62 89 THR . 28059 1 63 90 ALA . 28059 1 64 91 ILE . 28059 1 65 92 LYS . 28059 1 66 93 LYS . 28059 1 67 94 ASN . 28059 1 68 95 ASN . 28059 1 69 96 PRO . 28059 1 70 97 ARG . 28059 1 71 98 LYS . 28059 1 72 99 TYR . 28059 1 73 100 LEU . 28059 1 74 101 ARG . 28059 1 75 102 SER . 28059 1 76 103 VAL . 28059 1 77 104 GLY . 28059 1 78 105 ASP . 28059 1 79 106 GLY . 28059 1 80 107 GLU . 28059 1 81 108 THR . 28059 1 82 109 VAL . 28059 1 83 110 GLU . 28059 1 84 111 PHE . 28059 1 85 112 ASP . 28059 1 86 113 VAL . 28059 1 87 114 VAL . 28059 1 88 115 GLU . 28059 1 89 116 GLY . 28059 1 90 117 GLU . 28059 1 91 118 LYS . 28059 1 92 119 GLY . 28059 1 93 120 ALA . 28059 1 94 121 GLU . 28059 1 95 122 ALA . 28059 1 96 123 ALA . 28059 1 97 124 ASN . 28059 1 98 125 VAL . 28059 1 99 126 THR . 28059 1 100 127 GLY . 28059 1 101 128 PRO . 28059 1 102 129 GLY . 28059 1 103 130 GLY . 28059 1 104 131 VAL . 28059 1 105 132 PRO . 28059 1 106 133 VAL . 28059 1 107 134 GLN . 28059 1 108 135 GLY . 28059 1 109 136 SER . 28059 1 110 137 LYS . 28059 1 111 138 TYR . 28059 1 112 139 ALA . 28059 1 113 140 ALA . 28059 1 114 141 ASP . 28059 1 115 142 ARG . 28059 1 116 143 ASN . 28059 1 117 144 HIS . 28059 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 28059 1 . HIS 2 2 28059 1 . HIS 3 3 28059 1 . HIS 4 4 28059 1 . HIS 5 5 28059 1 . HIS 6 6 28059 1 . HIS 7 7 28059 1 . GLY 8 8 28059 1 . GLY 9 9 28059 1 . GLY 10 10 28059 1 . GLY 11 11 28059 1 . GLY 12 12 28059 1 . GLY 13 13 28059 1 . GLY 14 14 28059 1 . GLY 15 15 28059 1 . SER 16 16 28059 1 . SER 17 17 28059 1 . ALA 18 18 28059 1 . ALA 19 19 28059 1 . PRO 20 20 28059 1 . ALA 21 21 28059 1 . GLY 22 22 28059 1 . GLY 23 23 28059 1 . ASP 24 24 28059 1 . LYS 25 25 28059 1 . LYS 26 26 28059 1 . VAL 27 27 28059 1 . ILE 28 28 28059 1 . ALA 29 29 28059 1 . THR 30 30 28059 1 . LYS 31 31 28059 1 . VAL 32 32 28059 1 . LEU 33 33 28059 1 . GLY 34 34 28059 1 . THR 35 35 28059 1 . VAL 36 36 28059 1 . LYS 37 37 28059 1 . TRP 38 38 28059 1 . PHE 39 39 28059 1 . ASN 40 40 28059 1 . VAL 41 41 28059 1 . ARG 42 42 28059 1 . ASN 43 43 28059 1 . GLY 44 44 28059 1 . TYR 45 45 28059 1 . GLY 46 46 28059 1 . PHE 47 47 28059 1 . ILE 48 48 28059 1 . ASN 49 49 28059 1 . ARG 50 50 28059 1 . ASN 51 51 28059 1 . ASP 52 52 28059 1 . THR 53 53 28059 1 . LYS 54 54 28059 1 . GLU 55 55 28059 1 . ASP 56 56 28059 1 . VAL 57 57 28059 1 . PHE 58 58 28059 1 . VAL 59 59 28059 1 . HIS 60 60 28059 1 . GLN 61 61 28059 1 . THR 62 62 28059 1 . ALA 63 63 28059 1 . ILE 64 64 28059 1 . LYS 65 65 28059 1 . LYS 66 66 28059 1 . ASN 67 67 28059 1 . ASN 68 68 28059 1 . PRO 69 69 28059 1 . ARG 70 70 28059 1 . LYS 71 71 28059 1 . TYR 72 72 28059 1 . LEU 73 73 28059 1 . ARG 74 74 28059 1 . SER 75 75 28059 1 . VAL 76 76 28059 1 . GLY 77 77 28059 1 . ASP 78 78 28059 1 . GLY 79 79 28059 1 . GLU 80 80 28059 1 . THR 81 81 28059 1 . VAL 82 82 28059 1 . GLU 83 83 28059 1 . PHE 84 84 28059 1 . ASP 85 85 28059 1 . VAL 86 86 28059 1 . VAL 87 87 28059 1 . GLU 88 88 28059 1 . GLY 89 89 28059 1 . GLU 90 90 28059 1 . LYS 91 91 28059 1 . GLY 92 92 28059 1 . ALA 93 93 28059 1 . GLU 94 94 28059 1 . ALA 95 95 28059 1 . ALA 96 96 28059 1 . ASN 97 97 28059 1 . VAL 98 98 28059 1 . THR 99 99 28059 1 . GLY 100 100 28059 1 . PRO 101 101 28059 1 . GLY 102 102 28059 1 . GLY 103 103 28059 1 . VAL 104 104 28059 1 . PRO 105 105 28059 1 . VAL 106 106 28059 1 . GLN 107 107 28059 1 . GLY 108 108 28059 1 . SER 109 109 28059 1 . LYS 110 110 28059 1 . TYR 111 111 28059 1 . ALA 112 112 28059 1 . ALA 113 113 28059 1 . ASP 114 114 28059 1 . ARG 115 115 28059 1 . ASN 116 116 28059 1 . HIS 117 117 28059 1 stop_ save_ save_ssDNA _Entity.Sf_category entity _Entity.Sf_framecode ssDNA _Entity.Entry_ID 28059 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ssDNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AACACCT ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DA . 28059 2 2 . DA . 28059 2 3 . DC . 28059 2 4 . DA . 28059 2 5 . DC . 28059 2 6 . DC . 28059 2 7 . DT . 28059 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DA 1 1 28059 2 . DA 2 2 28059 2 . DC 3 3 28059 2 . DA 4 4 28059 2 . DC 5 5 28059 2 . DC 6 6 28059 2 . DT 7 7 28059 2 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 28059 _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 $CSD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28059 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 28059 _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 $CSD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet32a . . . 28059 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28059 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CSD '[U-100% 15N]' . . 1 $CSD . . 1 . . mM . . . . 28059 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 28059 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28059 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28059 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ssDNA complex' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CSD '[U-100% 15N]' . . 1 $CSD . . 1 . . mM . . . . 28059 2 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 28059 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28059 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 28059 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 0.1 mM 28059 1 pH 7.4 0.1 pH 28059 1 pressure 1 . atm 28059 1 temperature 298 0.1 K 28059 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28059 _Software.ID 1 _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 . . 28059 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28059 1 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 28059 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28059 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 28059 _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 . . . 28059 1 2 spectrometer_2 Bruker Avance . 700 . . . 28059 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 28059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N heteronuckear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28059 1 2 '1H-15N heteronuckear NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28059 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 28059 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 200000 _Heteronucl_NOE_list.NOE_ref_description 'difference peaks have difference ref intensities in the ref spectrum.' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '1H-15N heteronuckear NOE' . . . 28059 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 28059 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.606 0.006 . . . 54 VAL N . 54 VAL H 28059 1 2 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.734 0.005 . . . 55 ILE N . 55 ILE H 28059 1 3 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.746 0.005 . . . 56 ALA N . 56 ALA H 28059 1 4 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.717 0.006 . . . 57 THR N . 57 THR H 28059 1 5 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.760 0.007 . . . 58 LYS N . 58 LYS H 28059 1 6 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.762 0.006 . . . 59 VAL N . 59 VAL H 28059 1 7 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.727 0.006 . . . 60 LEU N . 60 LEU H 28059 1 8 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.751 0.008 . . . 61 GLY N . 61 GLY H 28059 1 9 . 1 1 35 35 THR N N 15 . 1 1 35 35 THR H H 1 0.755 0.008 . . . 62 THR N . 62 THR H 28059 1 10 . 1 1 36 36 VAL N N 15 . 1 1 36 36 VAL H H 1 0.768 0.008 . . . 63 VAL N . 63 VAL H 28059 1 11 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.766 0.011 . . . 64 LYS N . 64 LYS H 28059 1 12 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.765 0.007 . . . 65 TRP N . 65 TRP H 28059 1 13 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.737 0.007 . . . 66 PHE N . 66 PHE H 28059 1 14 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.735 0.009 . . . 67 ASN N . 67 ASN H 28059 1 15 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.646 0.007 . . . 69 ARG N . 69 ARG H 28059 1 16 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.727 0.007 . . . 70 ASN N . 70 ASN H 28059 1 17 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.747 0.007 . . . 71 GLY N . 71 GLY H 28059 1 18 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.794 0.005 . . . 72 TYR N . 72 TYR H 28059 1 19 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.773 0.007 . . . 73 GLY N . 73 GLY H 28059 1 20 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.797 0.008 . . . 74 PHE N . 74 PHE H 28059 1 21 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.760 0.009 . . . 75 ILE N . 75 ILE H 28059 1 22 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.773 0.005 . . . 76 ASN N . 76 ASN H 28059 1 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.763 0.007 . . . 77 ARG N . 77 ARG H 28059 1 24 . 1 1 51 51 ASN N N 15 . 1 1 51 51 ASN H H 1 0.770 0.007 . . . 78 ASN N . 78 ASN H 28059 1 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.764 0.004 . . . 79 ASP N . 79 ASP H 28059 1 26 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.731 0.006 . . . 80 THR N . 80 THR H 28059 1 27 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.768 0.006 . . . 82 GLU N . 82 GLU H 28059 1 28 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.739 0.005 . . . 83 ASP N . 83 ASP H 28059 1 29 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.739 0.007 . . . 84 VAL N . 84 VAL H 28059 1 30 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.717 0.007 . . . 85 PHE N . 85 PHE H 28059 1 31 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.764 0.007 . . . 86 VAL N . 86 VAL H 28059 1 32 . 1 1 60 60 HIS N N 15 . 1 1 60 60 HIS H H 1 0.767 0.009 . . . 87 HIS N . 87 HIS H 28059 1 33 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.772 0.004 . . . 88 GLN N . 88 GLN H 28059 1 34 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.779 0.013 . . . 89 THR N . 89 THR H 28059 1 35 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.698 0.004 . . . 90 ALA N . 90 ALA H 28059 1 36 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.785 0.006 . . . 91 ILE N . 91 ILE H 28059 1 37 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.759 0.016 . . . 92 LYS N . 92 LYS H 28059 1 38 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.726 0.008 . . . 97 ARG N . 97 ARG H 28059 1 39 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.703 0.022 . . . 98 LYS N . 98 LYS H 28059 1 40 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.648 0.015 . . . 100 LEU N . 100 LEU H 28059 1 41 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.673 0.006 . . . 101 ARG N . 101 ARG H 28059 1 42 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.751 0.014 . . . 102 SER N . 102 SER H 28059 1 43 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.758 0.043 . . . 104 GLY N . 104 GLY H 28059 1 44 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.711 0.004 . . . 105 ASP N . 105 ASP H 28059 1 45 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.765 0.008 . . . 106 GLY N . 106 GLY H 28059 1 46 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.758 0.006 . . . 107 GLU N . 107 GLU H 28059 1 47 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.755 0.007 . . . 108 THR N . 108 THR H 28059 1 48 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.775 0.009 . . . 109 VAL N . 109 VAL H 28059 1 49 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.801 0.009 . . . 110 GLU N . 110 GLU H 28059 1 50 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.780 0.007 . . . 111 PHE N . 111 PHE H 28059 1 51 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.770 0.004 . . . 112 ASP N . 112 ASP H 28059 1 52 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.756 0.008 . . . 113 VAL N . 113 VAL H 28059 1 53 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.785 0.009 . . . 114 VAL N . 114 VAL H 28059 1 54 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.713 0.006 . . . 115 GLU N . 115 GLU H 28059 1 55 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.490 0.006 . . . 116 GLY N . 116 GLY H 28059 1 56 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.497 0.022 . . . 117 GLU N . 117 GLU H 28059 1 57 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.443 0.009 . . . 118 LYS N . 118 LYS H 28059 1 58 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.473 0.005 . . . 119 GLY N . 119 GLY H 28059 1 59 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.648 0.004 . . . 120 ALA N . 120 ALA H 28059 1 60 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.731 0.008 . . . 121 GLU N . 121 GLU H 28059 1 61 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.793 0.006 . . . 122 ALA N . 122 ALA H 28059 1 62 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.771 0.007 . . . 123 ALA N . 123 ALA H 28059 1 63 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.758 0.006 . . . 124 ASN N . 124 ASN H 28059 1 64 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.775 0.006 . . . 125 VAL N . 125 VAL H 28059 1 65 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.790 0.009 . . . 126 THR N . 126 THR H 28059 1 66 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.762 0.012 . . . 127 GLY N . 127 GLY H 28059 1 67 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.765 0.007 . . . 129 GLY N . 129 GLY H 28059 1 68 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.766 0.007 . . . 130 GLY N . 130 GLY H 28059 1 69 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.728 0.014 . . . 131 VAL N . 131 VAL H 28059 1 70 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.728 0.016 . . . 133 VAL N . 133 VAL H 28059 1 71 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.720 0.062 . . . 134 GLN N . 134 GLN H 28059 1 72 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.734 0.018 . . . 135 GLY N . 135 GLY H 28059 1 73 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.755 0.017 . . . 136 SER N . 136 SER H 28059 1 74 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.535 0.020 . . . 138 TYR N . 138 TYR H 28059 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 28059 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 200000 _Heteronucl_NOE_list.NOE_ref_description 'same as list_1' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 2 '1H-15N heteronuckear NOE' . . . 28059 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 28059 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.767 0.003 . . . 54 VAL N . 54 VAL H 28059 2 2 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.769 0.006 . . . 55 ILE N . 55 ILE H 28059 2 3 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.824 0.003 . . . 56 ALA N . 56 ALA H 28059 2 4 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.795 0.003 . . . 57 THR N . 57 THR H 28059 2 5 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.837 0.003 . . . 58 LYS N . 58 LYS H 28059 2 6 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.843 0.003 . . . 59 VAL N . 59 VAL H 28059 2 7 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.828 0.003 . . . 60 LEU N . 60 LEU H 28059 2 8 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.863 0.003 . . . 61 GLY N . 61 GLY H 28059 2 9 . 1 1 35 35 THR N N 15 . 1 1 35 35 THR H H 1 0.858 0.003 . . . 62 THR N . 62 THR H 28059 2 10 . 1 1 36 36 VAL N N 15 . 1 1 36 36 VAL H H 1 0.866 0.003 . . . 63 VAL N . 63 VAL H 28059 2 11 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.810 0.005 . . . 64 LYS N . 64 LYS H 28059 2 12 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.814 0.003 . . . 65 TRP N . 65 TRP H 28059 2 13 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.805 0.003 . . . 66 PHE N . 66 PHE H 28059 2 14 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.834 0.004 . . . 67 ASN N . 67 ASN H 28059 2 15 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.826 0.004 . . . 68 VAL N . 68 VAL H 28059 2 16 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.796 0.003 . . . 69 ARG N . 69 ARG H 28059 2 17 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.806 0.003 . . . 70 ASN N . 70 ASN H 28059 2 18 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.819 0.003 . . . 71 GLY N . 71 GLY H 28059 2 19 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.875 0.003 . . . 72 TYR N . 72 TYR H 28059 2 20 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.894 0.004 . . . 73 GLY N . 73 GLY H 28059 2 21 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.830 0.003 . . . 74 PHE N . 74 PHE H 28059 2 22 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.854 0.004 . . . 75 ILE N . 75 ILE H 28059 2 23 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.826 0.004 . . . 76 ASN N . 76 ASN H 28059 2 24 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.789 0.004 . . . 77 ARG N . 77 ARG H 28059 2 25 . 1 1 51 51 ASN N N 15 . 1 1 51 51 ASN H H 1 0.806 0.003 . . . 78 ASN N . 78 ASN H 28059 2 26 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.833 0.001 . . . 79 ASP N . 79 ASP H 28059 2 27 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.799 0.003 . . . 80 THR N . 80 THR H 28059 2 28 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.867 0.003 . . . 81 LYS N . 81 LYS H 28059 2 29 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.842 0.003 . . . 82 GLU N . 82 GLU H 28059 2 30 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.781 0.003 . . . 83 ASP N . 83 ASP H 28059 2 31 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.841 0.004 . . . 84 VAL N . 84 VAL H 28059 2 32 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.829 0.003 . . . 85 PHE N . 85 PHE H 28059 2 33 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.847 0.003 . . . 86 VAL N . 86 VAL H 28059 2 34 . 1 1 60 60 HIS N N 15 . 1 1 60 60 HIS H H 1 0.814 0.005 . . . 87 HIS N . 87 HIS H 28059 2 35 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.833 0.004 . . . 88 GLN N . 88 GLN H 28059 2 36 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.819 0.003 . . . 89 THR N . 89 THR H 28059 2 37 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.855 0.003 . . . 90 ALA N . 90 ALA H 28059 2 38 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.802 0.003 . . . 91 ILE N . 91 ILE H 28059 2 39 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.810 0.005 . . . 92 LYS N . 92 LYS H 28059 2 40 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.803 0.004 . . . 93 LYS N . 93 LYS H 28059 2 41 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.775 0.012 . . . 94 ASN N . 94 ASN H 28059 2 42 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.819 0.005 . . . 95 ASN N . 95 ASN H 28059 2 43 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.782 0.003 . . . 97 ARG N . 97 ARG H 28059 2 44 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.763 0.007 . . . 98 LYS N . 98 LYS H 28059 2 45 . 1 1 72 72 TYR N N 15 . 1 1 72 72 TYR H H 1 0.778 0.007 . . . 99 TYR N . 99 TYR H 28059 2 46 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.810 0.005 . . . 100 LEU N . 100 LEU H 28059 2 47 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.830 0.003 . . . 102 SER N . 102 SER H 28059 2 48 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.867 0.003 . . . 103 VAL N . 103 VAL H 28059 2 49 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.864 0.004 . . . 104 GLY N . 104 GLY H 28059 2 50 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.775 0.002 . . . 105 ASP N . 105 ASP H 28059 2 51 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.791 0.004 . . . 106 GLY N . 106 GLY H 28059 2 52 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.866 0.002 . . . 107 GLU N . 107 GLU H 28059 2 53 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.812 0.003 . . . 108 THR N . 108 THR H 28059 2 54 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.821 0.003 . . . 109 VAL N . 109 VAL H 28059 2 55 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.799 0.004 . . . 110 GLU N . 110 GLU H 28059 2 56 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.833 0.003 . . . 111 PHE N . 111 PHE H 28059 2 57 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.833 0.001 . . . 112 ASP N . 112 ASP H 28059 2 58 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.827 0.003 . . . 113 VAL N . 113 VAL H 28059 2 59 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.783 0.005 . . . 114 VAL N . 114 VAL H 28059 2 60 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.783 0.004 . . . 115 GLU N . 115 GLU H 28059 2 61 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.625 0.003 . . . 116 GLY N . 116 GLY H 28059 2 62 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.631 0.008 . . . 117 GLU N . 117 GLU H 28059 2 63 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.588 0.005 . . . 118 LYS N . 118 LYS H 28059 2 64 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.676 0.002 . . . 119 GLY N . 119 GLY H 28059 2 65 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.759 0.003 . . . 120 ALA N . 120 ALA H 28059 2 66 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.739 0.005 . . . 121 GLU N . 121 GLU H 28059 2 67 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.782 0.003 . . . 122 ALA N . 122 ALA H 28059 2 68 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.795 0.004 . . . 123 ALA N . 123 ALA H 28059 2 69 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.835 0.004 . . . 124 ASN N . 124 ASN H 28059 2 70 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.855 0.003 . . . 125 VAL N . 125 VAL H 28059 2 71 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.844 0.005 . . . 126 THR N . 126 THR H 28059 2 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.801 0.004 . . . 127 GLY N . 127 GLY H 28059 2 73 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.854 0.004 . . . 129 GLY N . 129 GLY H 28059 2 74 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.816 0.003 . . . 130 GLY N . 130 GLY H 28059 2 75 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.761 0.002 . . . 131 VAL N . 131 VAL H 28059 2 76 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.869 0.003 . . . 133 VAL N . 133 VAL H 28059 2 77 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.821 0.004 . . . 134 GLN N . 134 GLN H 28059 2 78 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.807 0.004 . . . 135 GLY N . 135 GLY H 28059 2 79 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.841 0.005 . . . 136 SER N . 136 SER H 28059 2 80 . 1 1 110 110 LYS N N 15 . 1 1 110 110 LYS H H 1 0.807 0.024 . . . 137 LYS N . 137 LYS H 28059 2 81 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.782 0.004 . . . 138 TYR N . 138 TYR H 28059 2 82 . 1 1 112 112 ALA N N 15 . 1 1 112 112 ALA H H 1 0.783 0.003 . . . 139 ALA N . 139 ALA H 28059 2 83 . 1 1 113 113 ALA N N 15 . 1 1 113 113 ALA H H 1 0.774 0.005 . . . 140 ALA N . 140 ALA H 28059 2 stop_ save_