data_15830 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15830 _Entry.Title ; chemical shift assignments and heteronuclear NOE of the N-terminal domain of the human Y1-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 . . . 15830 2 Reto Walser . . . 15830 3 Chao Zou . . . 15830 4 Sowmini Kumaran . . . 15830 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' . 15830 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15830 heteronucl_NOEs 1 15830 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 36 15830 '1H chemical shifts' 249 15830 'heteronuclear NOE values' 35 15830 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 . 15830 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15831 'Y receptors N-Y2' 15830 BMRB 15832 'Y receptors N-Y5' 15830 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15830 _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 . . . 15830 1 2 Sowmini Kumaran . . . 15830 1 3 Reto Walser . . . 15830 1 4 Oliver Zerbe . . . 15830 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 15830 1 'membrane protein' 15830 1 SPR 15830 1 'structural biology' 15830 1 'Y receptor' 15830 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15830 _Assembly.ID 1 _Assembly.Name N-Y1 _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 4533 _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-Y1 1 $N-Y1 A . yes native no no . . . 15830 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-Y1 _Entity.Sf_category entity _Entity.Sf_framecode N-Y1 _Entity.Entry_ID 15830 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-Y1 _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 ; MNSTLFSQVENHSVHSNFSE KNAQLLAFENDDCHLPLAMI ; _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 40 _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 BAD92474 . "neuropeptide Y receptor Y1 variant [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 2.92e-18 . . . . 15830 1 2 no DBJ BAG35472 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 3 no GB AAA59920 . "neuropeptide y receptor [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.11e-17 . . . . 15830 1 4 no GB AAA59947 . "neuropeptide Y receptor Y1 [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 5 no GB AAA73215 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 6 no GB AAG40771 . "neuropeptide Y receptor Y1 [Macaca mulatta]" . . . . . 100.00 383 100.00 100.00 1.01e-17 . . . . 15830 1 7 no GB AAH36657 . "Neuropeptide Y receptor Y1 [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 8 no REF NP_000900 . "neuropeptide Y receptor type 1 [Homo sapiens]" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 9 no REF NP_001028038 . "neuropeptide Y receptor type 1 [Macaca mulatta]" . . . . . 100.00 383 100.00 100.00 1.01e-17 . . . . 15830 1 10 no REF XP_002815306 . "PREDICTED: neuropeptide Y receptor type 1 [Pongo abelii]" . . . . . 100.00 383 100.00 100.00 1.02e-17 . . . . 15830 1 11 no REF XP_003257965 . "PREDICTED: neuropeptide Y receptor type 1 [Nomascus leucogenys]" . . . . . 100.00 383 100.00 100.00 1.00e-17 . . . . 15830 1 12 no REF XP_003822577 . "PREDICTED: neuropeptide Y receptor type 1 isoform X1 [Pan paniscus]" . . . . . 100.00 383 100.00 100.00 1.02e-17 . . . . 15830 1 13 no SP P25929 . "RecName: Full=Neuropeptide Y receptor type 1; Short=NPY1-R" . . . . . 100.00 384 100.00 100.00 1.09e-17 . . . . 15830 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neurohormone receptor' 15830 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 . 15830 1 2 . ASN . 15830 1 3 . SER . 15830 1 4 . THR . 15830 1 5 . LEU . 15830 1 6 . PHE . 15830 1 7 . SER . 15830 1 8 . GLN . 15830 1 9 . VAL . 15830 1 10 . GLU . 15830 1 11 . ASN . 15830 1 12 . HIS . 15830 1 13 . SER . 15830 1 14 . VAL . 15830 1 15 . HIS . 15830 1 16 . SER . 15830 1 17 . ASN . 15830 1 18 . PHE . 15830 1 19 . SER . 15830 1 20 . GLU . 15830 1 21 . LYS . 15830 1 22 . ASN . 15830 1 23 . ALA . 15830 1 24 . GLN . 15830 1 25 . LEU . 15830 1 26 . LEU . 15830 1 27 . ALA . 15830 1 28 . PHE . 15830 1 29 . GLU . 15830 1 30 . ASN . 15830 1 31 . ASP . 15830 1 32 . ASP . 15830 1 33 . CYS . 15830 1 34 . HIS . 15830 1 35 . LEU . 15830 1 36 . PRO . 15830 1 37 . LEU . 15830 1 38 . ALA . 15830 1 39 . MET . 15830 1 40 . ILE . 15830 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 15830 1 . ASN 2 2 15830 1 . SER 3 3 15830 1 . THR 4 4 15830 1 . LEU 5 5 15830 1 . PHE 6 6 15830 1 . SER 7 7 15830 1 . GLN 8 8 15830 1 . VAL 9 9 15830 1 . GLU 10 10 15830 1 . ASN 11 11 15830 1 . HIS 12 12 15830 1 . SER 13 13 15830 1 . VAL 14 14 15830 1 . HIS 15 15 15830 1 . SER 16 16 15830 1 . ASN 17 17 15830 1 . PHE 18 18 15830 1 . SER 19 19 15830 1 . GLU 20 20 15830 1 . LYS 21 21 15830 1 . ASN 22 22 15830 1 . ALA 23 23 15830 1 . GLN 24 24 15830 1 . LEU 25 25 15830 1 . LEU 26 26 15830 1 . ALA 27 27 15830 1 . PHE 28 28 15830 1 . GLU 29 29 15830 1 . ASN 30 30 15830 1 . ASP 31 31 15830 1 . ASP 32 32 15830 1 . CYS 33 33 15830 1 . HIS 34 34 15830 1 . LEU 35 35 15830 1 . PRO 36 36 15830 1 . LEU 37 37 15830 1 . ALA 38 38 15830 1 . MET 39 39 15830 1 . ILE 40 40 15830 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 15830 _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-Y1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . NPY1R_HUMAN . . . . 15830 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 15830 _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-Y1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DL21(DE3) C41(41) . . . . . . . . . . . . . . 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. ; . . 15830 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15830 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 298 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-Y1 [U-15N] . . 1 $N-Y1 . . 0.5 . . mM . . . . 15830 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15830 1 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15830 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15830 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15830 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15830 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 300 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-Y1 [U-15N] . . 1 $N-Y1 . . 0.5 . . mM . . . . 15830 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15830 2 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15830 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15830 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15830 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 15830 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 298 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 15830 1 pressure 1 . atm 15830 1 temperature 298 . K 15830 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 15830 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; buffer: 20 mM sodium phosphate, pH 6.4, 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 6.4 . pH 15830 2 pressure 1 . atm 15830 2 temperature 300 . K 15830 2 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15830 _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.' . . 15830 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15830 1 'data analysis' 15830 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 15830 _NMR_spectrometer.ID 1 _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 15830 _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 . 600 . . . 15830 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 15830 _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 . . . . . . . . . . . . . . . . 15830 1 2 '2D 1H-15N NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15830 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15830 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15830 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15830 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15830 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 15830 _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 . . . . . . . . . 15830 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 15830 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 15830 _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' . . . 15830 1 3 '3D 1H-15N NOESY' . . . 15830 1 4 '2D 1H-1H NOESY' . . . 15830 1 5 '2D 1H-1H TOCSY' . . . 15830 1 6 '3D 1H-15N TOCSY' . . . 15830 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 . . 15830 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 SER H H 1 8.520 0.020 . 1 . . . . 3 SER H . 15830 1 2 . 1 1 3 3 SER HA H 1 4.422 0.020 . 1 . . . . 3 SER HA . 15830 1 3 . 1 1 3 3 SER N N 15 116.257 0.400 . 1 . . . . 3 SER N . 15830 1 4 . 1 1 4 4 THR H H 1 8.319 0.020 . 1 . . . . 4 THR H . 15830 1 5 . 1 1 4 4 THR HA H 1 4.284 0.020 . 1 . . . . 4 THR HA . 15830 1 6 . 1 1 4 4 THR HB H 1 4.007 0.020 . 1 . . . . 4 THR HB . 15830 1 7 . 1 1 4 4 THR HG21 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 8 . 1 1 4 4 THR HG22 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 9 . 1 1 4 4 THR HG23 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 10 . 1 1 4 4 THR N N 15 116.437 0.400 . 1 . . . . 4 THR N . 15830 1 11 . 1 1 5 5 LEU H H 1 8.230 0.020 . 1 . . . . 5 LEU H . 15830 1 12 . 1 1 5 5 LEU HA H 1 4.030 0.020 . 1 . . . . 5 LEU HA . 15830 1 13 . 1 1 5 5 LEU HB2 H 1 1.249 0.020 . 2 . . . . 5 LEU HB2 . 15830 1 14 . 1 1 5 5 LEU HB3 H 1 1.419 0.020 . 2 . . . . 5 LEU HB3 . 15830 1 15 . 1 1 5 5 LEU HD11 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 16 . 1 1 5 5 LEU HD12 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 17 . 1 1 5 5 LEU HD13 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 18 . 1 1 5 5 LEU HD21 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 19 . 1 1 5 5 LEU HD22 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 20 . 1 1 5 5 LEU HD23 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 21 . 1 1 5 5 LEU HG H 1 1.169 0.020 . 1 . . . . 5 LEU HG . 15830 1 22 . 1 1 5 5 LEU N N 15 122.695 0.400 . 1 . . . . 5 LEU N . 15830 1 23 . 1 1 6 6 PHE H H 1 7.968 0.020 . 1 . . . . 6 PHE H . 15830 1 24 . 1 1 6 6 PHE HA H 1 4.464 0.020 . 1 . . . . 6 PHE HA . 15830 1 25 . 1 1 6 6 PHE HB2 H 1 2.962 0.020 . 2 . . . . 6 PHE HB2 . 15830 1 26 . 1 1 6 6 PHE HB3 H 1 3.185 0.020 . 2 . . . . 6 PHE HB3 . 15830 1 27 . 1 1 6 6 PHE HD1 H 1 7.187 0.020 . 1 . . . . 6 PHE HD1 . 15830 1 28 . 1 1 6 6 PHE HD2 H 1 7.187 0.020 . 1 . . . . 6 PHE HD2 . 15830 1 29 . 1 1 6 6 PHE N N 15 115.797 0.400 . 1 . . . . 6 PHE N . 15830 1 30 . 1 1 7 7 SER H H 1 8.024 0.020 . 1 . . . . 7 SER H . 15830 1 31 . 1 1 7 7 SER HA H 1 4.308 0.020 . 1 . . . . 7 SER HA . 15830 1 32 . 1 1 7 7 SER HB2 H 1 3.860 0.020 . 2 . . . . 7 SER HB2 . 15830 1 33 . 1 1 7 7 SER HB3 H 1 3.860 0.020 . 2 . . . . 7 SER HB3 . 15830 1 34 . 1 1 7 7 SER N N 15 114.836 0.400 . 1 . . . . 7 SER N . 15830 1 35 . 1 1 8 8 GLN H H 1 8.247 0.020 . 1 . . . . 8 GLN H . 15830 1 36 . 1 1 8 8 GLN HA H 1 4.279 0.020 . 1 . . . . 8 GLN HA . 15830 1 37 . 1 1 8 8 GLN HB2 H 1 1.994 0.020 . 2 . . . . 8 GLN HB2 . 15830 1 38 . 1 1 8 8 GLN HB3 H 1 2.110 0.020 . 2 . . . . 8 GLN HB3 . 15830 1 39 . 1 1 8 8 GLN HE21 H 1 7.439 0.020 . 2 . . . . 8 GLN HE21 . 15830 1 40 . 1 1 8 8 GLN HE22 H 1 7.439 0.020 . 2 . . . . 8 GLN HE22 . 15830 1 41 . 1 1 8 8 GLN HG2 H 1 2.333 0.020 . 2 . . . . 8 GLN HG2 . 15830 1 42 . 1 1 8 8 GLN HG3 H 1 2.333 0.020 . 2 . . . . 8 GLN HG3 . 15830 1 43 . 1 1 8 8 GLN N N 15 120.601 0.400 . 1 . . . . 8 GLN N . 15830 1 44 . 1 1 9 9 VAL H H 1 7.901 0.020 . 1 . . . . 9 VAL H . 15830 1 45 . 1 1 9 9 VAL HA H 1 3.944 0.020 . 1 . . . . 9 VAL HA . 15830 1 46 . 1 1 9 9 VAL HB H 1 2.049 0.020 . 1 . . . . 9 VAL HB . 15830 1 47 . 1 1 9 9 VAL HG11 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 48 . 1 1 9 9 VAL HG12 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 49 . 1 1 9 9 VAL HG13 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 50 . 1 1 9 9 VAL HG21 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 51 . 1 1 9 9 VAL HG22 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 52 . 1 1 9 9 VAL HG23 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 53 . 1 1 9 9 VAL N N 15 118.798 0.400 . 1 . . . . 9 VAL N . 15830 1 54 . 1 1 10 10 GLU H H 1 8.262 0.020 . 1 . . . . 10 GLU H . 15830 1 55 . 1 1 10 10 GLU HA H 1 4.086 0.020 . 1 . . . . 10 GLU HA . 15830 1 56 . 1 1 10 10 GLU HB2 H 1 1.848 0.020 . 2 . . . . 10 GLU HB2 . 15830 1 57 . 1 1 10 10 GLU HB3 H 1 1.881 0.020 . 2 . . . . 10 GLU HB3 . 15830 1 58 . 1 1 10 10 GLU HG2 H 1 2.330 0.020 . 2 . . . . 10 GLU HG2 . 15830 1 59 . 1 1 10 10 GLU HG3 H 1 2.330 0.020 . 2 . . . . 10 GLU HG3 . 15830 1 60 . 1 1 10 10 GLU N N 15 122.348 0.400 . 1 . . . . 10 GLU N . 15830 1 61 . 1 1 11 11 ASN H H 1 8.293 0.020 . 1 . . . . 11 ASN H . 15830 1 62 . 1 1 11 11 ASN HA H 1 4.513 0.020 . 1 . . . . 11 ASN HA . 15830 1 63 . 1 1 11 11 ASN HB2 H 1 2.688 0.020 . 2 . . . . 11 ASN HB2 . 15830 1 64 . 1 1 11 11 ASN HB3 H 1 2.707 0.020 . 2 . . . . 11 ASN HB3 . 15830 1 65 . 1 1 11 11 ASN HD21 H 1 7.583 0.020 . 2 . . . . 11 ASN HD21 . 15830 1 66 . 1 1 11 11 ASN HD22 H 1 7.583 0.020 . 2 . . . . 11 ASN HD22 . 15830 1 67 . 1 1 11 11 ASN N N 15 118.228 0.400 . 1 . . . . 11 ASN N . 15830 1 68 . 1 1 12 12 HIS H H 1 8.323 0.020 . 1 . . . . 12 HIS H . 15830 1 69 . 1 1 12 12 HIS HA H 1 4.571 0.020 . 1 . . . . 12 HIS HA . 15830 1 70 . 1 1 12 12 HIS HB2 H 1 3.048 0.020 . 2 . . . . 12 HIS HB2 . 15830 1 71 . 1 1 12 12 HIS HB3 H 1 3.191 0.020 . 2 . . . . 12 HIS HB3 . 15830 1 72 . 1 1 12 12 HIS HD2 H 1 7.089 0.020 . 1 . . . . 12 HIS HD2 . 15830 1 73 . 1 1 12 12 HIS N N 15 119.808 0.400 . 1 . . . . 12 HIS N . 15830 1 74 . 1 1 13 13 SER H H 1 8.176 0.020 . 1 . . . . 13 SER H . 15830 1 75 . 1 1 13 13 SER HA H 1 4.398 0.020 . 1 . . . . 13 SER HA . 15830 1 76 . 1 1 13 13 SER HB2 H 1 3.764 0.020 . 2 . . . . 13 SER HB2 . 15830 1 77 . 1 1 13 13 SER HB3 H 1 3.853 0.020 . 2 . . . . 13 SER HB3 . 15830 1 78 . 1 1 13 13 SER N N 15 115.764 0.400 . 1 . . . . 13 SER N . 15830 1 79 . 1 1 14 14 VAL H H 1 8.154 0.020 . 1 . . . . 14 VAL H . 15830 1 80 . 1 1 14 14 VAL HA H 1 4.003 0.020 . 1 . . . . 14 VAL HA . 15830 1 81 . 1 1 14 14 VAL HB H 1 2.006 0.020 . 1 . . . . 14 VAL HB . 15830 1 82 . 1 1 14 14 VAL HG11 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 83 . 1 1 14 14 VAL HG12 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 84 . 1 1 14 14 VAL HG13 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 85 . 1 1 14 14 VAL HG21 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 86 . 1 1 14 14 VAL HG22 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 87 . 1 1 14 14 VAL HG23 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 88 . 1 1 14 14 VAL N N 15 120.675 0.400 . 1 . . . . 14 VAL N . 15830 1 89 . 1 1 15 15 HIS H H 1 8.299 0.020 . 1 . . . . 15 HIS H . 15830 1 90 . 1 1 15 15 HIS HA H 1 4.606 0.020 . 1 . . . . 15 HIS HA . 15830 1 91 . 1 1 15 15 HIS HB2 H 1 3.033 0.020 . 2 . . . . 15 HIS HB2 . 15830 1 92 . 1 1 15 15 HIS HB3 H 1 3.144 0.020 . 2 . . . . 15 HIS HB3 . 15830 1 93 . 1 1 15 15 HIS HD2 H 1 7.049 0.020 . 1 . . . . 15 HIS HD2 . 15830 1 94 . 1 1 15 15 HIS N N 15 120.624 0.400 . 1 . . . . 15 HIS N . 15830 1 95 . 1 1 16 16 SER H H 1 8.215 0.020 . 1 . . . . 16 SER H . 15830 1 96 . 1 1 16 16 SER HA H 1 4.616 0.020 . 1 . . . . 16 SER HA . 15830 1 97 . 1 1 16 16 SER HB2 H 1 3.773 0.020 . 2 . . . . 16 SER HB2 . 15830 1 98 . 1 1 16 16 SER HB3 H 1 3.801 0.020 . 2 . . . . 16 SER HB3 . 15830 1 99 . 1 1 16 16 SER N N 15 116.218 0.400 . 1 . . . . 16 SER N . 15830 1 100 . 1 1 17 17 ASN H H 1 8.174 0.020 . 1 . . . . 17 ASN H . 15830 1 101 . 1 1 17 17 ASN HA H 1 4.186 0.020 . 1 . . . . 17 ASN HA . 15830 1 102 . 1 1 17 17 ASN HB2 H 1 2.633 0.020 . 2 . . . . 17 ASN HB2 . 15830 1 103 . 1 1 17 17 ASN HB3 H 1 2.633 0.020 . 2 . . . . 17 ASN HB3 . 15830 1 104 . 1 1 17 17 ASN HD21 H 1 7.499 0.020 . 2 . . . . 17 ASN HD21 . 15830 1 105 . 1 1 17 17 ASN HD22 H 1 7.499 0.020 . 2 . . . . 17 ASN HD22 . 15830 1 106 . 1 1 17 17 ASN N N 15 119.232 0.400 . 1 . . . . 17 ASN N . 15830 1 107 . 1 1 18 18 PHE H H 1 8.216 0.020 . 1 . . . . 18 PHE H . 15830 1 108 . 1 1 18 18 PHE HA H 1 4.496 0.020 . 1 . . . . 18 PHE HA . 15830 1 109 . 1 1 18 18 PHE HB2 H 1 2.988 0.020 . 2 . . . . 18 PHE HB2 . 15830 1 110 . 1 1 18 18 PHE HB3 H 1 3.103 0.020 . 2 . . . . 18 PHE HB3 . 15830 1 111 . 1 1 18 18 PHE HD1 H 1 7.172 0.020 . 1 . . . . 18 PHE HD1 . 15830 1 112 . 1 1 18 18 PHE HD2 H 1 7.172 0.020 . 1 . . . . 18 PHE HD2 . 15830 1 113 . 1 1 18 18 PHE HE1 H 1 7.250 0.020 . 1 . . . . 18 PHE HE1 . 15830 1 114 . 1 1 18 18 PHE HE2 H 1 7.250 0.020 . 1 . . . . 18 PHE HE2 . 15830 1 115 . 1 1 19 19 SER H H 1 8.167 0.020 . 1 . . . . 19 SER H . 15830 1 116 . 1 1 19 19 SER HA H 1 4.292 0.020 . 1 . . . . 19 SER HA . 15830 1 117 . 1 1 19 19 SER HB2 H 1 3.768 0.020 . 2 . . . . 19 SER HB2 . 15830 1 118 . 1 1 19 19 SER HB3 H 1 3.836 0.020 . 2 . . . . 19 SER HB3 . 15830 1 119 . 1 1 19 19 SER N N 15 115.898 0.400 . 1 . . . . 19 SER N . 15830 1 120 . 1 1 20 20 GLU H H 1 8.380 0.020 . 1 . . . . 20 GLU H . 15830 1 121 . 1 1 20 20 GLU HA H 1 4.136 0.020 . 1 . . . . 20 GLU HA . 15830 1 122 . 1 1 20 20 GLU HB2 H 1 1.927 0.020 . 2 . . . . 20 GLU HB2 . 15830 1 123 . 1 1 20 20 GLU HB3 H 1 2.006 0.020 . 2 . . . . 20 GLU HB3 . 15830 1 124 . 1 1 20 20 GLU HG2 H 1 2.199 0.020 . 2 . . . . 20 GLU HG2 . 15830 1 125 . 1 1 20 20 GLU HG3 H 1 2.232 0.020 . 2 . . . . 20 GLU HG3 . 15830 1 126 . 1 1 20 20 GLU N N 15 122.301 0.400 . 1 . . . . 20 GLU N . 15830 1 127 . 1 1 21 21 LYS H H 1 8.149 0.020 . 1 . . . . 21 LYS H . 15830 1 128 . 1 1 21 21 LYS HA H 1 4.170 0.020 . 1 . . . . 21 LYS HA . 15830 1 129 . 1 1 21 21 LYS HB2 H 1 1.365 0.020 . 2 . . . . 21 LYS HB2 . 15830 1 130 . 1 1 21 21 LYS HB3 H 1 1.708 0.020 . 2 . . . . 21 LYS HB3 . 15830 1 131 . 1 1 21 21 LYS HD2 H 1 2.020 0.020 . 2 . . . . 21 LYS HD2 . 15830 1 132 . 1 1 21 21 LYS HD3 H 1 1.940 0.020 . 2 . . . . 21 LYS HD3 . 15830 1 133 . 1 1 21 21 LYS HE2 H 1 2.740 0.020 . 2 . . . . 21 LYS HE2 . 15830 1 134 . 1 1 21 21 LYS HE3 H 1 2.740 0.020 . 2 . . . . 21 LYS HE3 . 15830 1 135 . 1 1 21 21 LYS HG2 H 1 1.369 0.020 . 2 . . . . 21 LYS HG2 . 15830 1 136 . 1 1 21 21 LYS HG3 H 1 1.369 0.020 . 2 . . . . 21 LYS HG3 . 15830 1 137 . 1 1 21 21 LYS N N 15 120.026 0.400 . 1 . . . . 21 LYS N . 15830 1 138 . 1 1 22 22 ASN H H 1 8.126 0.020 . 1 . . . . 22 ASN H . 15830 1 139 . 1 1 22 22 ASN HA H 1 4.571 0.020 . 1 . . . . 22 ASN HA . 15830 1 140 . 1 1 22 22 ASN HB2 H 1 2.647 0.020 . 2 . . . . 22 ASN HB2 . 15830 1 141 . 1 1 22 22 ASN HB3 H 1 2.710 0.020 . 2 . . . . 22 ASN HB3 . 15830 1 142 . 1 1 22 22 ASN HD21 H 1 7.493 0.020 . 2 . . . . 22 ASN HD21 . 15830 1 143 . 1 1 22 22 ASN HD22 H 1 7.493 0.020 . 2 . . . . 22 ASN HD22 . 15830 1 144 . 1 1 22 22 ASN N N 15 118.113 0.400 . 1 . . . . 22 ASN N . 15830 1 145 . 1 1 23 23 ALA H H 1 8.133 0.020 . 1 . . . . 23 ALA H . 15830 1 146 . 1 1 23 23 ALA HA H 1 4.109 0.020 . 1 . . . . 23 ALA HA . 15830 1 147 . 1 1 23 23 ALA HB1 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 148 . 1 1 23 23 ALA HB2 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 149 . 1 1 23 23 ALA HB3 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 150 . 1 1 23 23 ALA N N 15 123.089 0.400 . 1 . . . . 23 ALA N . 15830 1 151 . 1 1 24 24 GLN H H 1 8.126 0.020 . 1 . . . . 24 GLN H . 15830 1 152 . 1 1 24 24 GLN HA H 1 4.146 0.020 . 1 . . . . 24 GLN HA . 15830 1 153 . 1 1 24 24 GLN HB2 H 1 1.991 0.020 . 2 . . . . 24 GLN HB2 . 15830 1 154 . 1 1 24 24 GLN HB3 H 1 2.043 0.020 . 2 . . . . 24 GLN HB3 . 15830 1 155 . 1 1 24 24 GLN HE21 H 1 7.485 0.020 . 2 . . . . 24 GLN HE21 . 15830 1 156 . 1 1 24 24 GLN HE22 H 1 7.485 0.020 . 2 . . . . 24 GLN HE22 . 15830 1 157 . 1 1 24 24 GLN HG2 H 1 2.332 0.020 . 2 . . . . 24 GLN HG2 . 15830 1 158 . 1 1 24 24 GLN HG3 H 1 2.295 0.020 . 2 . . . . 24 GLN HG3 . 15830 1 159 . 1 1 24 24 GLN N N 15 117.352 0.400 . 1 . . . . 24 GLN N . 15830 1 160 . 1 1 25 25 LEU H H 1 8.010 0.020 . 1 . . . . 25 LEU H . 15830 1 161 . 1 1 25 25 LEU HA H 1 4.159 0.020 . 1 . . . . 25 LEU HA . 15830 1 162 . 1 1 25 25 LEU HB2 H 1 1.640 0.020 . 2 . . . . 25 LEU HB2 . 15830 1 163 . 1 1 25 25 LEU HB3 H 1 1.640 0.020 . 2 . . . . 25 LEU HB3 . 15830 1 164 . 1 1 25 25 LEU HD11 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 165 . 1 1 25 25 LEU HD12 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 166 . 1 1 25 25 LEU HD13 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 167 . 1 1 25 25 LEU HD21 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 168 . 1 1 25 25 LEU HD22 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 169 . 1 1 25 25 LEU HD23 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 170 . 1 1 25 25 LEU HG H 1 1.536 0.020 . 1 . . . . 25 LEU HG . 15830 1 171 . 1 1 25 25 LEU N N 15 120.958 0.400 . 1 . . . . 25 LEU N . 15830 1 172 . 1 1 26 26 LEU H H 1 7.831 0.020 . 1 . . . . 26 LEU H . 15830 1 173 . 1 1 26 26 LEU HA H 1 4.171 0.020 . 1 . . . . 26 LEU HA . 15830 1 174 . 1 1 26 26 LEU HB2 H 1 1.566 0.020 . 2 . . . . 26 LEU HB2 . 15830 1 175 . 1 1 26 26 LEU HB3 H 1 1.566 0.020 . 2 . . . . 26 LEU HB3 . 15830 1 176 . 1 1 26 26 LEU HD11 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 177 . 1 1 26 26 LEU HD12 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 178 . 1 1 26 26 LEU HD13 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 179 . 1 1 26 26 LEU HD21 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 180 . 1 1 26 26 LEU HD22 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 181 . 1 1 26 26 LEU HD23 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 182 . 1 1 26 26 LEU HG H 1 1.461 0.020 . 1 . . . . 26 LEU HG . 15830 1 183 . 1 1 26 26 LEU N N 15 118.604 0.400 . 1 . . . . 26 LEU N . 15830 1 184 . 1 1 27 27 ALA H H 1 7.739 0.020 . 1 . . . . 27 ALA H . 15830 1 185 . 1 1 27 27 ALA HA H 1 4.191 0.020 . 1 . . . . 27 ALA HA . 15830 1 186 . 1 1 27 27 ALA HB1 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 187 . 1 1 27 27 ALA HB2 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 188 . 1 1 27 27 ALA HB3 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 189 . 1 1 27 27 ALA N N 15 122.052 0.400 . 1 . . . . 27 ALA N . 15830 1 190 . 1 1 28 28 PHE H H 1 7.968 0.020 . 1 . . . . 28 PHE H . 15830 1 191 . 1 1 28 28 PHE HA H 1 4.546 0.020 . 1 . . . . 28 PHE HA . 15830 1 192 . 1 1 28 28 PHE HB2 H 1 2.955 0.020 . 2 . . . . 28 PHE HB2 . 15830 1 193 . 1 1 28 28 PHE HB3 H 1 3.138 0.020 . 2 . . . . 28 PHE HB3 . 15830 1 194 . 1 1 28 28 PHE HD1 H 1 7.202 0.020 . 1 . . . . 28 PHE HD1 . 15830 1 195 . 1 1 28 28 PHE HD2 H 1 7.202 0.020 . 1 . . . . 28 PHE HD2 . 15830 1 196 . 1 1 28 28 PHE HE1 H 1 7.040 0.020 . 1 . . . . 28 PHE HE1 . 15830 1 197 . 1 1 28 28 PHE HE2 H 1 7.040 0.020 . 1 . . . . 28 PHE HE2 . 15830 1 198 . 1 1 28 28 PHE N N 15 117.831 0.400 . 1 . . . . 28 PHE N . 15830 1 199 . 1 1 29 29 GLU H H 1 8.331 0.020 . 1 . . . . 29 GLU H . 15830 1 200 . 1 1 29 29 GLU HA H 1 4.195 0.020 . 1 . . . . 29 GLU HA . 15830 1 201 . 1 1 29 29 GLU HB2 H 1 1.869 0.020 . 2 . . . . 29 GLU HB2 . 15830 1 202 . 1 1 29 29 GLU HB3 H 1 1.869 0.020 . 2 . . . . 29 GLU HB3 . 15830 1 203 . 1 1 29 29 GLU HG2 H 1 2.179 0.020 . 2 . . . . 29 GLU HG2 . 15830 1 204 . 1 1 29 29 GLU HG3 H 1 2.179 0.020 . 2 . . . . 29 GLU HG3 . 15830 1 205 . 1 1 29 29 GLU N N 15 120.345 0.400 . 1 . . . . 29 GLU N . 15830 1 206 . 1 1 30 30 ASN H H 1 8.297 0.020 . 1 . . . . 30 ASN H . 15830 1 207 . 1 1 30 30 ASN HA H 1 4.623 0.020 . 1 . . . . 30 ASN HA . 15830 1 208 . 1 1 30 30 ASN HB2 H 1 2.774 0.020 . 2 . . . . 30 ASN HB2 . 15830 1 209 . 1 1 30 30 ASN HB3 H 1 2.774 0.020 . 2 . . . . 30 ASN HB3 . 15830 1 210 . 1 1 30 30 ASN HD21 H 1 7.580 0.020 . 2 . . . . 30 ASN HD21 . 15830 1 211 . 1 1 30 30 ASN HD22 H 1 7.580 0.020 . 2 . . . . 30 ASN HD22 . 15830 1 212 . 1 1 30 30 ASN N N 15 118.612 0.400 . 1 . . . . 30 ASN N . 15830 1 213 . 1 1 31 31 ASP H H 1 8.187 0.020 . 1 . . . . 31 ASP H . 15830 1 214 . 1 1 31 31 ASP HA H 1 4.504 0.020 . 1 . . . . 31 ASP HA . 15830 1 215 . 1 1 31 31 ASP HB2 H 1 2.576 0.020 . 2 . . . . 31 ASP HB2 . 15830 1 216 . 1 1 31 31 ASP HB3 H 1 2.631 0.020 . 2 . . . . 31 ASP HB3 . 15830 1 217 . 1 1 31 31 ASP N N 15 120.029 0.400 . 1 . . . . 31 ASP N . 15830 1 218 . 1 1 32 32 ASP H H 1 8.073 0.020 . 1 . . . . 32 ASP H . 15830 1 219 . 1 1 32 32 ASP HA H 1 4.294 0.020 . 1 . . . . 32 ASP HA . 15830 1 220 . 1 1 32 32 ASP HB2 H 1 2.775 0.020 . 2 . . . . 32 ASP HB2 . 15830 1 221 . 1 1 32 32 ASP HB3 H 1 2.775 0.020 . 2 . . . . 32 ASP HB3 . 15830 1 222 . 1 1 32 32 ASP N N 15 118.066 0.400 . 1 . . . . 32 ASP N . 15830 1 223 . 1 1 33 33 CYS H H 1 8.292 0.020 . 1 . . . . 33 CYS H . 15830 1 224 . 1 1 33 33 CYS HA H 1 4.750 0.020 . 1 . . . . 33 CYS HA . 15830 1 225 . 1 1 33 33 CYS HB2 H 1 2.587 0.020 . 2 . . . . 33 CYS HB2 . 15830 1 226 . 1 1 33 33 CYS HB3 H 1 2.646 0.020 . 2 . . . . 33 CYS HB3 . 15830 1 227 . 1 1 33 33 CYS N N 15 120.077 0.400 . 1 . . . . 33 CYS N . 15830 1 228 . 1 1 34 34 HIS H H 1 8.362 0.020 . 1 . . . . 34 HIS H . 15830 1 229 . 1 1 34 34 HIS HA H 1 4.655 0.020 . 1 . . . . 34 HIS HA . 15830 1 230 . 1 1 34 34 HIS HB2 H 1 3.070 0.020 . 2 . . . . 34 HIS HB2 . 15830 1 231 . 1 1 34 34 HIS HB3 H 1 3.199 0.020 . 2 . . . . 34 HIS HB3 . 15830 1 232 . 1 1 34 34 HIS HD2 H 1 7.129 0.020 . 1 . . . . 34 HIS HD2 . 15830 1 233 . 1 1 34 34 HIS N N 15 119.737 0.400 . 1 . . . . 34 HIS N . 15830 1 234 . 1 1 35 35 LEU H H 1 8.324 0.020 . 1 . . . . 35 LEU H . 15830 1 235 . 1 1 35 35 LEU HA H 1 4.515 0.020 . 1 . . . . 35 LEU HA . 15830 1 236 . 1 1 35 35 LEU HB2 H 1 1.617 0.020 . 2 . . . . 35 LEU HB2 . 15830 1 237 . 1 1 35 35 LEU HB3 H 1 1.617 0.020 . 2 . . . . 35 LEU HB3 . 15830 1 238 . 1 1 35 35 LEU HD11 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 239 . 1 1 35 35 LEU HD12 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 240 . 1 1 35 35 LEU HD13 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 241 . 1 1 35 35 LEU HG H 1 1.439 0.020 . 1 . . . . 35 LEU HG . 15830 1 242 . 1 1 35 35 LEU N N 15 122.683 0.400 . 1 . . . . 35 LEU N . 15830 1 243 . 1 1 36 36 PRO HA H 1 4.441 0.020 . 1 . . . . 36 PRO HA . 15830 1 244 . 1 1 36 36 PRO HB2 H 1 1.909 0.020 . 2 . . . . 36 PRO HB2 . 15830 1 245 . 1 1 36 36 PRO HB3 H 1 1.960 0.020 . 2 . . . . 36 PRO HB3 . 15830 1 246 . 1 1 36 36 PRO HD2 H 1 3.830 0.020 . 2 . . . . 36 PRO HD2 . 15830 1 247 . 1 1 36 36 PRO HD3 H 1 3.780 0.020 . 2 . . . . 36 PRO HD3 . 15830 1 248 . 1 1 36 36 PRO HG2 H 1 2.220 0.020 . 2 . . . . 36 PRO HG2 . 15830 1 249 . 1 1 36 36 PRO HG3 H 1 2.190 0.020 . 2 . . . . 36 PRO HG3 . 15830 1 250 . 1 1 37 37 LEU H H 1 8.050 0.020 . 1 . . . . 37 LEU H . 15830 1 251 . 1 1 37 37 LEU HA H 1 4.179 0.020 . 1 . . . . 37 LEU HA . 15830 1 252 . 1 1 37 37 LEU HB2 H 1 1.510 0.020 . 2 . . . . 37 LEU HB2 . 15830 1 253 . 1 1 37 37 LEU HB3 H 1 1.586 0.020 . 2 . . . . 37 LEU HB3 . 15830 1 254 . 1 1 37 37 LEU HD11 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 255 . 1 1 37 37 LEU HD12 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 256 . 1 1 37 37 LEU HD13 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 257 . 1 1 37 37 LEU HD21 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 258 . 1 1 37 37 LEU HD22 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 259 . 1 1 37 37 LEU HD23 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 260 . 1 1 37 37 LEU N N 15 120.634 0.400 . 1 . . . . 37 LEU N . 15830 1 261 . 1 1 38 38 ALA H H 1 8.176 0.020 . 1 . . . . 38 ALA H . 15830 1 262 . 1 1 38 38 ALA HA H 1 4.272 0.020 . 1 . . . . 38 ALA HA . 15830 1 263 . 1 1 38 38 ALA HB1 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 264 . 1 1 38 38 ALA HB2 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 265 . 1 1 38 38 ALA HB3 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 266 . 1 1 38 38 ALA N N 15 122.211 0.400 . 1 . . . . 38 ALA N . 15830 1 267 . 1 1 39 39 MET H H 1 8.223 0.020 . 1 . . . . 39 MET H . 15830 1 268 . 1 1 39 39 MET HA H 1 4.378 0.020 . 1 . . . . 39 MET HA . 15830 1 269 . 1 1 39 39 MET HB2 H 1 1.956 0.020 . 2 . . . . 39 MET HB2 . 15830 1 270 . 1 1 39 39 MET HB3 H 1 2.062 0.020 . 2 . . . . 39 MET HB3 . 15830 1 271 . 1 1 39 39 MET HE1 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 272 . 1 1 39 39 MET HE2 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 273 . 1 1 39 39 MET HE3 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 274 . 1 1 39 39 MET HG2 H 1 2.660 0.020 . 2 . . . . 39 MET HG2 . 15830 1 275 . 1 1 39 39 MET HG3 H 1 2.550 0.020 . 2 . . . . 39 MET HG3 . 15830 1 276 . 1 1 39 39 MET N N 15 118.148 0.400 . 1 . . . . 39 MET N . 15830 1 277 . 1 1 40 40 ILE H H 1 7.381 0.020 . 1 . . . . 40 ILE H . 15830 1 278 . 1 1 40 40 ILE HA H 1 4.009 0.020 . 1 . . . . 40 ILE HA . 15830 1 279 . 1 1 40 40 ILE HB H 1 1.790 0.020 . 1 . . . . 40 ILE HB . 15830 1 280 . 1 1 40 40 ILE HD11 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 281 . 1 1 40 40 ILE HD12 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 282 . 1 1 40 40 ILE HD13 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 283 . 1 1 40 40 ILE HG12 H 1 1.087 0.020 . 2 . . . . 40 ILE HG12 . 15830 1 284 . 1 1 40 40 ILE HG13 H 1 1.366 0.020 . 2 . . . . 40 ILE HG13 . 15830 1 285 . 1 1 40 40 ILE N N 15 122.856 0.400 . 1 . . . . 40 ILE N . 15830 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 15830 _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' . . . 15830 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 . . 15830 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 3 3 SER N N 15 . 1 1 3 3 SER H H 1 0.227506691 . . . . . . . . . . . 15830 1 2 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.571054926 . . . . . . . . . . . 15830 1 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.73454507 . . . . . . . . . . . 15830 1 4 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.820515575 . . . . . . . . . . . 15830 1 5 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.799117647 . . . . . . . . . . . 15830 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.619541376 . . . . . . . . . . . 15830 1 7 . 1 1 9 9 VAL N N 15 . 1 1 9 9 VAL H H 1 0.687104026 . . . . . . . . . . . 15830 1 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.541636938 . . . . . . . . . . . 15830 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.445659305 . . . . . . . . . . . 15830 1 10 . 1 1 12 12 HIS N N 15 . 1 1 12 12 HIS H H 1 0.483792545 . . . . . . . . . . . 15830 1 11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.537872683 . . . . . . . . . . . 15830 1 12 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.631061038 . . . . . . . . . . . 15830 1 13 . 1 1 16 16 SER N N 15 . 1 1 16 16 SER H H 1 0.600177778 . . . . . . . . . . . 15830 1 14 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 0.558871405 . . . . . . . . . . . 15830 1 15 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.644936709 . . . . . . . . . . . 15830 1 16 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.61622575 . . . . . . . . . . . 15830 1 17 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.639385651 . . . . . . . . . . . 15830 1 18 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.573212818 . . . . . . . . . . . 15830 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.713279857 . . . . . . . . . . . 15830 1 20 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.696 . . . . . . . . . . . 15830 1 21 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.619567394 . . . . . . . . . . . 15830 1 22 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.726630895 . . . . . . . . . . . 15830 1 23 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.628500824 . . . . . . . . . . . 15830 1 24 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.527811683 . . . . . . . . . . . 15830 1 25 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.45356711 . . . . . . . . . . . 15830 1 26 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.446609612 . . . . . . . . . . . 15830 1 27 . 1 1 31 31 ASP N N 15 . 1 1 31 31 ASP H H 1 0.484790875 . . . . . . . . . . . 15830 1 28 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.506186441 . . . . . . . . . . . 15830 1 29 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.565800773 . . . . . . . . . . . 15830 1 30 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.431574608 . . . . . . . . . . . 15830 1 31 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.500686161 . . . . . . . . . . . 15830 1 32 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.246941896 . . . . . . . . . . . 15830 1 33 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.209991533 . . . . . . . . . . . 15830 1 34 . 1 1 39 39 MET N N 15 . 1 1 39 39 MET H H 1 -0.01399635 . . . . . . . . . . . 15830 1 35 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 -0.613214286 . . . . . . . . . . . 15830 1 stop_ save_