data_15832 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15832 _Entry.Title ; chemical shift assignments and heteronuclear NOE of the N-terminal domain of the human Y5-receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-27 _Entry.Accession_date 2008-06-27 _Entry.Last_release_date 2009-02-13 _Entry.Original_release_date 2009-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Oliver Zerbe . . . 15832 2 Reto Walser . . . 15832 3 Chao Zou . . . 15832 4 Sowmini Kumaran . . . 15832 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Zurich' . 15832 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15832 heteronucl_NOEs 1 15832 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 48 15832 '1H chemical shifts' 48 15832 'heteronuclear NOE values' 47 15832 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-13 2008-06-27 original author . 15832 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15830 'Y receptors N-Y1' 15832 BMRB 15831 'Y receptors N-Y2' 15832 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15832 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19125388 _Citation.Full_citation . _Citation.Title 'Properties of the N-terminal domains from Y receptors probed by NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 3 _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 184 _Citation.Page_last 191 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Chao Zou . . . 15832 1 2 Sowmini Kumaran . . . 15832 1 3 Reto Walser . . . 15832 1 4 Oliver Zerbe . . . 15832 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 15832 1 'membrane protein' 15832 1 SPR 15832 1 'structural biology' 15832 1 'Y receptor' 15832 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15832 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of the Y5 receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 6053 _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 N-Y5 1 $N-Y5 A . yes native no no . . . 15832 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-Y5 _Entity.Sf_category entity _Entity.Sf_framecode N-Y5 _Entity.Entry_ID 15832 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-Y5 _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 ; MSFYSKQDYNMDLELDEYYN KTLATENNTAATRNSDFPVW DDYKSSVDDLQ ; _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 51 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAG74150 . "neuropeptide Y receptor Y5 [synthetic construct]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 2 no DBJ BAK62588 . "neuropeptide Y receptor type 5 [Pan troglodytes]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 3 no GB AAC50623 . "Y5 receptor [Homo sapiens]" . . . . . 100.00 455 100.00 100.00 2.71e-28 . . . . 15832 1 4 no GB AAC50741 . "neuropeptide Y5 receptor [Homo sapiens]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 5 no GB AAC51295 . "neuropeptide Y5 receptor [Homo sapiens]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 6 no GB AAG40773 . "neuropeptide Y receptor Y5 [Macaca mulatta]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 7 no GB AAH42416 . "Neuropeptide Y receptor Y5 [Homo sapiens]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 8 no REF NP_001028005 . "neuropeptide Y receptor type 5 [Macaca mulatta]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 9 no REF NP_001266807 . "neuropeptide Y receptor type 5 [Pan troglodytes]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 10 no REF NP_006165 . "neuropeptide Y receptor type 5 [Homo sapiens]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 11 no REF XP_003899379 . "PREDICTED: neuropeptide Y receptor type 5 [Papio anubis]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 12 no REF XP_004040628 . "PREDICTED: neuropeptide Y receptor type 5 isoform 1 [Gorilla gorilla gorilla]" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 13 no SP Q15761 . "RecName: Full=Neuropeptide Y receptor type 5; Short=NPY5-R; AltName: Full=NPY-Y5 receptor; Short=NPYY5-R; Short=Y5 receptor" . . . . . 80.39 445 100.00 100.00 2.01e-20 . . . . 15832 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neurohormone receptor' 15832 1 stop_ 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 . 15832 1 2 . SER . 15832 1 3 . PHE . 15832 1 4 . TYR . 15832 1 5 . SER . 15832 1 6 . LYS . 15832 1 7 . GLN . 15832 1 8 . ASP . 15832 1 9 . TYR . 15832 1 10 . ASN . 15832 1 11 . MET . 15832 1 12 . ASP . 15832 1 13 . LEU . 15832 1 14 . GLU . 15832 1 15 . LEU . 15832 1 16 . ASP . 15832 1 17 . GLU . 15832 1 18 . TYR . 15832 1 19 . TYR . 15832 1 20 . ASN . 15832 1 21 . LYS . 15832 1 22 . THR . 15832 1 23 . LEU . 15832 1 24 . ALA . 15832 1 25 . THR . 15832 1 26 . GLU . 15832 1 27 . ASN . 15832 1 28 . ASN . 15832 1 29 . THR . 15832 1 30 . ALA . 15832 1 31 . ALA . 15832 1 32 . THR . 15832 1 33 . ARG . 15832 1 34 . ASN . 15832 1 35 . SER . 15832 1 36 . ASP . 15832 1 37 . PHE . 15832 1 38 . PRO . 15832 1 39 . VAL . 15832 1 40 . TRP . 15832 1 41 . ASP . 15832 1 42 . ASP . 15832 1 43 . TYR . 15832 1 44 . LYS . 15832 1 45 . SER . 15832 1 46 . SER . 15832 1 47 . VAL . 15832 1 48 . ASP . 15832 1 49 . ASP . 15832 1 50 . LEU . 15832 1 51 . GLN . 15832 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 15832 1 . SER 2 2 15832 1 . PHE 3 3 15832 1 . TYR 4 4 15832 1 . SER 5 5 15832 1 . LYS 6 6 15832 1 . GLN 7 7 15832 1 . ASP 8 8 15832 1 . TYR 9 9 15832 1 . ASN 10 10 15832 1 . MET 11 11 15832 1 . ASP 12 12 15832 1 . LEU 13 13 15832 1 . GLU 14 14 15832 1 . LEU 15 15 15832 1 . ASP 16 16 15832 1 . GLU 17 17 15832 1 . TYR 18 18 15832 1 . TYR 19 19 15832 1 . ASN 20 20 15832 1 . LYS 21 21 15832 1 . THR 22 22 15832 1 . LEU 23 23 15832 1 . ALA 24 24 15832 1 . THR 25 25 15832 1 . GLU 26 26 15832 1 . ASN 27 27 15832 1 . ASN 28 28 15832 1 . THR 29 29 15832 1 . ALA 30 30 15832 1 . ALA 31 31 15832 1 . THR 32 32 15832 1 . ARG 33 33 15832 1 . ASN 34 34 15832 1 . SER 35 35 15832 1 . ASP 36 36 15832 1 . PHE 37 37 15832 1 . PRO 38 38 15832 1 . VAL 39 39 15832 1 . TRP 40 40 15832 1 . ASP 41 41 15832 1 . ASP 42 42 15832 1 . TYR 43 43 15832 1 . LYS 44 44 15832 1 . SER 45 45 15832 1 . SER 46 46 15832 1 . VAL 47 47 15832 1 . ASP 48 48 15832 1 . ASP 49 49 15832 1 . LEU 50 50 15832 1 . GLN 51 51 15832 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 15832 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $N-Y5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . NPY1R_HUMAN . . . . 15832 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 15832 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $N-Y5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) C41(DE3) . . . . . . . . . . . . . . pUBK19 . . . ; The peptide was produced as a C-terminal fusion to ubiquitin. For details see: Kohno, T.; Kusunoki, H.; Sato, K.; Wakamatsu, K. Journal of Biomolecular NMR 1998, 12, 109-121. For more information on the C41(DE3) cell strain see: Miroux, B.; Walker, J. E. J. Mol. Biol. 1996, 260, 289-298. ; . . 15832 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15832 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 310 K ; _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 N-Y5 [U-15N] . . 1 $N-Y5 . . 0.5 . . mM . . . . 15832 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15832 1 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15832 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15832 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15832 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15832 _Sample.ID 2 _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 N-Y5 [U-15N] . . 1 $N-Y5 . . 0.5 . . mM . . . . 15832 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15832 2 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15832 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15832 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15832 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 15832 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 310 K ; 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 pH 6.4 . pH 15832 1 pressure 1 . atm 15832 1 temperature 310 . K 15832 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15832 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; buffer: 20 mM sodium phosphate, pH 6.5, 300 mM DPC temperature: 300 K ; 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 pH 6.5 . pH 15832 2 pressure 1 . atm 15832 2 temperature 300 . K 15832 2 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15832 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . http://hugin.ethz.ch/wuthrich/software/xeasy/index.html 15832 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15832 1 'data analysis' 15832 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 15832 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15832 _NMR_spectrometer.ID 2 _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 15832 _NMR_spectrometer_list.ID 1 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 . 700 . . . 15832 1 2 spectrometer_2 Bruker Avance . 600 . . . 15832 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 15832 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15832 1 2 '2D 1H-15N NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15832 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 15832 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3.' 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.63 internal direct 1.0 . . . . . . . . . 15832 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 15832 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 15832 _Assigned_chem_shift_list.ID 1 _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' . . . 15832 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 15832 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 3 3 PHE H H 1 7.842 0.020 . 1 . . . . 3 PHE H . 15832 1 2 . 1 1 3 3 PHE N N 15 118.811 0.400 . 1 . . . . 3 PHE N . 15832 1 3 . 1 1 4 4 TYR H H 1 7.628 0.020 . 1 . . . . 4 TYR H . 15832 1 4 . 1 1 4 4 TYR N N 15 118.031 0.400 . 1 . . . . 4 TYR N . 15832 1 5 . 1 1 5 5 SER H H 1 8.103 0.020 . 1 . . . . 5 SER H . 15832 1 6 . 1 1 5 5 SER N N 15 115.849 0.400 . 1 . . . . 5 SER N . 15832 1 7 . 1 1 6 6 LYS H H 1 8.248 0.020 . 1 . . . . 6 LYS H . 15832 1 8 . 1 1 6 6 LYS N N 15 122.272 0.400 . 1 . . . . 6 LYS N . 15832 1 9 . 1 1 7 7 GLN H H 1 8.180 0.020 . 1 . . . . 7 GLN H . 15832 1 10 . 1 1 7 7 GLN N N 15 119.041 0.400 . 1 . . . . 7 GLN N . 15832 1 11 . 1 1 8 8 ASP H H 1 8.026 0.020 . 1 . . . . 8 ASP H . 15832 1 12 . 1 1 8 8 ASP N N 15 119.369 0.400 . 1 . . . . 8 ASP N . 15832 1 13 . 1 1 9 9 TYR H H 1 8.433 0.020 . 1 . . . . 9 TYR H . 15832 1 14 . 1 1 9 9 TYR N N 15 120.839 0.400 . 1 . . . . 9 TYR N . 15832 1 15 . 1 1 10 10 ASN H H 1 8.249 0.020 . 1 . . . . 10 ASN H . 15832 1 16 . 1 1 10 10 ASN N N 15 119.601 0.400 . 1 . . . . 10 ASN N . 15832 1 17 . 1 1 11 11 MET H H 1 8.222 0.020 . 1 . . . . 11 MET H . 15832 1 18 . 1 1 11 11 MET N N 15 120.234 0.400 . 1 . . . . 11 MET N . 15832 1 19 . 1 1 12 12 ASP H H 1 8.377 0.020 . 1 . . . . 12 ASP H . 15832 1 20 . 1 1 12 12 ASP N N 15 120.960 0.400 . 1 . . . . 12 ASP N . 15832 1 21 . 1 1 13 13 LEU H H 1 7.900 0.020 . 1 . . . . 13 LEU H . 15832 1 22 . 1 1 13 13 LEU N N 15 121.087 0.400 . 1 . . . . 13 LEU N . 15832 1 23 . 1 1 14 14 GLU H H 1 8.392 0.020 . 1 . . . . 14 GLU H . 15832 1 24 . 1 1 14 14 GLU N N 15 120.561 0.400 . 1 . . . . 14 GLU N . 15832 1 25 . 1 1 15 15 LEU H H 1 8.389 0.020 . 1 . . . . 15 LEU H . 15832 1 26 . 1 1 15 15 LEU N N 15 121.507 0.400 . 1 . . . . 15 LEU N . 15832 1 27 . 1 1 16 16 ASP H H 1 8.473 0.020 . 1 . . . . 16 ASP H . 15832 1 28 . 1 1 16 16 ASP N N 15 118.010 0.400 . 1 . . . . 16 ASP N . 15832 1 29 . 1 1 17 17 GLU H H 1 8.038 0.020 . 1 . . . . 17 GLU H . 15832 1 30 . 1 1 17 17 GLU N N 15 118.354 0.400 . 1 . . . . 17 GLU N . 15832 1 31 . 1 1 18 18 TYR H H 1 7.862 0.020 . 1 . . . . 18 TYR H . 15832 1 32 . 1 1 18 18 TYR N N 15 117.715 0.400 . 1 . . . . 18 TYR N . 15832 1 33 . 1 1 19 19 TYR H H 1 8.097 0.020 . 1 . . . . 19 TYR H . 15832 1 34 . 1 1 19 19 TYR N N 15 118.502 0.400 . 1 . . . . 19 TYR N . 15832 1 35 . 1 1 20 20 ASN H H 1 8.210 0.020 . 1 . . . . 20 ASN H . 15832 1 36 . 1 1 20 20 ASN N N 15 117.515 0.400 . 1 . . . . 20 ASN N . 15832 1 37 . 1 1 21 21 LYS H H 1 7.903 0.020 . 1 . . . . 21 LYS H . 15832 1 38 . 1 1 21 21 LYS N N 15 118.771 0.400 . 1 . . . . 21 LYS N . 15832 1 39 . 1 1 22 22 THR H H 1 7.796 0.020 . 1 . . . . 22 THR H . 15832 1 40 . 1 1 22 22 THR N N 15 113.269 0.400 . 1 . . . . 22 THR N . 15832 1 41 . 1 1 23 23 LEU H H 1 7.825 0.020 . 1 . . . . 23 LEU H . 15832 1 42 . 1 1 23 23 LEU N N 15 121.692 0.400 . 1 . . . . 23 LEU N . 15832 1 43 . 1 1 24 24 ALA H H 1 7.756 0.020 . 1 . . . . 24 ALA H . 15832 1 44 . 1 1 24 24 ALA N N 15 122.625 0.400 . 1 . . . . 24 ALA N . 15832 1 45 . 1 1 25 25 THR H H 1 7.915 0.020 . 1 . . . . 25 THR H . 15832 1 46 . 1 1 25 25 THR N N 15 112.486 0.400 . 1 . . . . 25 THR N . 15832 1 47 . 1 1 26 26 GLU H H 1 8.189 0.020 . 1 . . . . 26 GLU H . 15832 1 48 . 1 1 26 26 GLU N N 15 122.735 0.400 . 1 . . . . 26 GLU N . 15832 1 49 . 1 1 27 27 ASN H H 1 8.429 0.020 . 1 . . . . 27 ASN H . 15832 1 50 . 1 1 27 27 ASN N N 15 120.226 0.400 . 1 . . . . 27 ASN N . 15832 1 51 . 1 1 28 28 ASN H H 1 8.347 0.020 . 1 . . . . 28 ASN H . 15832 1 52 . 1 1 28 28 ASN N N 15 119.287 0.400 . 1 . . . . 28 ASN N . 15832 1 53 . 1 1 29 29 THR H H 1 8.053 0.020 . 1 . . . . 29 THR H . 15832 1 54 . 1 1 29 29 THR N N 15 114.051 0.400 . 1 . . . . 29 THR N . 15832 1 55 . 1 1 30 30 ALA H H 1 8.172 0.020 . 1 . . . . 30 ALA H . 15832 1 56 . 1 1 30 30 ALA N N 15 125.613 0.400 . 1 . . . . 30 ALA N . 15832 1 57 . 1 1 31 31 ALA H H 1 8.072 0.020 . 1 . . . . 31 ALA H . 15832 1 58 . 1 1 31 31 ALA N N 15 122.258 0.400 . 1 . . . . 31 ALA N . 15832 1 59 . 1 1 32 32 THR H H 1 7.915 0.020 . 1 . . . . 32 THR H . 15832 1 60 . 1 1 32 32 THR N N 15 112.430 0.400 . 1 . . . . 32 THR N . 15832 1 61 . 1 1 33 33 ARG H H 1 8.322 0.020 . 1 . . . . 33 ARG H . 15832 1 62 . 1 1 33 33 ARG N N 15 122.341 0.400 . 1 . . . . 33 ARG N . 15832 1 63 . 1 1 34 34 ASN H H 1 8.358 0.020 . 1 . . . . 34 ASN H . 15832 1 64 . 1 1 34 34 ASN N N 15 119.253 0.400 . 1 . . . . 34 ASN N . 15832 1 65 . 1 1 35 35 SER H H 1 8.166 0.020 . 1 . . . . 35 SER H . 15832 1 66 . 1 1 35 35 SER N N 15 115.508 0.400 . 1 . . . . 35 SER N . 15832 1 67 . 1 1 36 36 ASP H H 1 8.264 0.020 . 1 . . . . 36 ASP H . 15832 1 68 . 1 1 36 36 ASP N N 15 121.691 0.400 . 1 . . . . 36 ASP N . 15832 1 69 . 1 1 37 37 PHE H H 1 8.107 0.020 . 1 . . . . 37 PHE H . 15832 1 70 . 1 1 37 37 PHE N N 15 119.997 0.400 . 1 . . . . 37 PHE N . 15832 1 71 . 1 1 39 39 VAL H H 1 8.036 0.020 . 1 . . . . 39 VAL H . 15832 1 72 . 1 1 39 39 VAL N N 15 117.149 0.400 . 1 . . . . 39 VAL N . 15832 1 73 . 1 1 40 40 TRP H H 1 8.118 0.020 . 1 . . . . 40 TRP H . 15832 1 74 . 1 1 40 40 TRP N N 15 122.720 0.400 . 1 . . . . 40 TRP N . 15832 1 75 . 1 1 41 41 ASP H H 1 8.123 0.020 . 1 . . . . 41 ASP H . 15832 1 76 . 1 1 41 41 ASP N N 15 118.580 0.400 . 1 . . . . 41 ASP N . 15832 1 77 . 1 1 42 42 ASP H H 1 7.945 0.020 . 1 . . . . 42 ASP H . 15832 1 78 . 1 1 42 42 ASP N N 15 118.491 0.400 . 1 . . . . 42 ASP N . 15832 1 79 . 1 1 43 43 TYR H H 1 7.818 0.020 . 1 . . . . 43 TYR H . 15832 1 80 . 1 1 43 43 TYR N N 15 119.005 0.400 . 1 . . . . 43 TYR N . 15832 1 81 . 1 1 44 44 LYS H H 1 7.754 0.020 . 1 . . . . 44 LYS H . 15832 1 82 . 1 1 44 44 LYS N N 15 121.017 0.400 . 1 . . . . 44 LYS N . 15832 1 83 . 1 1 45 45 SER H H 1 8.119 0.020 . 1 . . . . 45 SER H . 15832 1 84 . 1 1 45 45 SER N N 15 115.325 0.400 . 1 . . . . 45 SER N . 15832 1 85 . 1 1 46 46 SER H H 1 8.060 0.020 . 1 . . . . 46 SER H . 15832 1 86 . 1 1 46 46 SER N N 15 117.177 0.400 . 1 . . . . 46 SER N . 15832 1 87 . 1 1 47 47 VAL H H 1 7.836 0.020 . 1 . . . . 47 VAL H . 15832 1 88 . 1 1 47 47 VAL N N 15 118.819 0.400 . 1 . . . . 47 VAL N . 15832 1 89 . 1 1 48 48 ASP H H 1 8.037 0.020 . 1 . . . . 48 ASP H . 15832 1 90 . 1 1 48 48 ASP N N 15 122.015 0.400 . 1 . . . . 48 ASP N . 15832 1 91 . 1 1 49 49 ASP H H 1 8.028 0.020 . 1 . . . . 49 ASP H . 15832 1 92 . 1 1 49 49 ASP N N 15 119.123 0.400 . 1 . . . . 49 ASP N . 15832 1 93 . 1 1 50 50 LEU H H 1 7.900 0.020 . 1 . . . . 50 LEU H . 15832 1 94 . 1 1 50 50 LEU N N 15 121.178 0.400 . 1 . . . . 50 LEU N . 15832 1 95 . 1 1 51 51 GLN H H 1 7.668 0.020 . 1 . . . . 51 GLN H . 15832 1 96 . 1 1 51 51 GLN N N 15 124.453 0.400 . 1 . . . . 51 GLN N . 15832 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 15832 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _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 '2D 1H-15N NOE' . . . 15832 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 $XEASY . . 15832 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 4 4 TYR N N 15 . 1 1 4 4 TYR H H 1 0.3602 . . . . . . . . . . . 15832 1 2 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.3146 . . . . . . . . . . . 15832 1 3 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.3742 . . . . . . . . . . . 15832 1 4 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.2787 . . . . . . . . . . . 15832 1 5 . 1 1 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.213 . . . . . . . . . . . 15832 1 6 . 1 1 9 9 TYR N N 15 . 1 1 9 9 TYR H H 1 0.2379 . . . . . . . . . . . 15832 1 7 . 1 1 10 10 ASN N N 15 . 1 1 10 10 ASN H H 1 0.3807 . . . . . . . . . . . 15832 1 8 . 1 1 11 11 MET N N 15 . 1 1 11 11 MET H H 1 0.2252 . . . . . . . . . . . 15832 1 9 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.3011 . . . . . . . . . . . 15832 1 10 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.3232 . . . . . . . . . . . 15832 1 11 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.2588 . . . . . . . . . . . 15832 1 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.4002 . . . . . . . . . . . 15832 1 13 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.3545 . . . . . . . . . . . 15832 1 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.2672 . . . . . . . . . . . 15832 1 15 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.5289 . . . . . . . . . . . 15832 1 16 . 1 1 19 19 TYR N N 15 . 1 1 19 19 TYR H H 1 0.4961 . . . . . . . . . . . 15832 1 17 . 1 1 20 20 ASN N N 15 . 1 1 20 20 ASN H H 1 0.4278 . . . . . . . . . . . 15832 1 18 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.4844 . . . . . . . . . . . 15832 1 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.2652 . . . . . . . . . . . 15832 1 20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.2218 . . . . . . . . . . . 15832 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.057 . . . . . . . . . . . 15832 1 22 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 -0.1662 . . . . . . . . . . . 15832 1 23 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 -0.5799 . . . . . . . . . . . 15832 1 24 . 1 1 27 27 ASN N N 15 . 1 1 27 27 ASN H H 1 -0.316 . . . . . . . . . . . 15832 1 25 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 -0.5929 . . . . . . . . . . . 15832 1 26 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 -0.6094 . . . . . . . . . . . 15832 1 27 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 -0.4458 . . . . . . . . . . . 15832 1 28 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.6325 . . . . . . . . . . . 15832 1 29 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.2232 . . . . . . . . . . . 15832 1 30 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 -0.1406 . . . . . . . . . . . 15832 1 31 . 1 1 34 34 ASN N N 15 . 1 1 34 34 ASN H H 1 -0.5286 . . . . . . . . . . . 15832 1 32 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 -0.2682 . . . . . . . . . . . 15832 1 33 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 -0.0263 . . . . . . . . . . . 15832 1 34 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 -0.095 . . . . . . . . . . . 15832 1 35 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.1797 . . . . . . . . . . . 15832 1 36 . 1 1 40 40 TRP N N 15 . 1 1 40 40 TRP H H 1 0.1971 . . . . . . . . . . . 15832 1 37 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.2251 . . . . . . . . . . . 15832 1 38 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.2553 . . . . . . . . . . . 15832 1 39 . 1 1 43 43 TYR N N 15 . 1 1 43 43 TYR H H 1 0.1778 . . . . . . . . . . . 15832 1 40 . 1 1 44 44 LYS N N 15 . 1 1 44 44 LYS H H 1 0.0784 . . . . . . . . . . . 15832 1 41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 -0.1138 . . . . . . . . . . . 15832 1 42 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 -0.1707 . . . . . . . . . . . 15832 1 43 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 -0.1836 . . . . . . . . . . . 15832 1 44 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 -0.5577 . . . . . . . . . . . 15832 1 45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 -0.5968 . . . . . . . . . . . 15832 1 46 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 -0.7907 . . . . . . . . . . . 15832 1 47 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 -1.872 . . . . . . . . . . . 15832 1 stop_ save_