data_15831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15831 _Entry.Title ; chemical shift assignments and heteronuclear NOE of the N-terminal domain of the human Y2-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 . . . 15831 2 Reto Walser . . . 15831 3 Chao Zou . . . 15831 4 Sowmini Kumaran . . . 15831 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' . 15831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15831 heteronucl_NOEs 1 15831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 43 15831 '1H chemical shifts' 43 15831 'heteronuclear NOE values' 43 15831 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 . 15831 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15830 'Y receptors N-Y1' 15831 BMRB 15832 'Y receptors N-Y5' 15831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15831 _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 . . . 15831 1 2 Sowmini Kumaran . . . 15831 1 3 Reto Walser . . . 15831 1 4 Oliver Zerbe . . . 15831 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 15831 1 'membrane protein' 15831 1 SPR 15831 1 'structural biology' 15831 1 'Y receptor' 15831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15831 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of the Y2 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 5510 _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-Y2 1 $N-Y2 A . yes native no no . . . 15831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-Y2 _Entity.Sf_category entity _Entity.Sf_framecode N-Y2 _Entity.Entry_ID 15831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-Y2 _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 ; MGPIGAEADENQTVEEMKVE QYGPQTTPRGELVPDPEPEL IDSTKLIEVQ ; _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 50 _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 BAG74149 . "neuropeptide Y receptor Y2 [synthetic construct]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 2 no GB AAA93170 . "type 2 neuropeptide Y receptor [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 3 no GB AAB04120 . "neuropeptide y2 receptor [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 4 no GB AAB07760 . "neuropeptide y/peptide YY receptor type 2 [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 3.64e-27 . . . . 15831 1 5 no GB AAC50281 . "neuropeptide Y/peptide YY Y2 receptor [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 6 no GB AAC51115 . "type 2 neuropeptide Y receptor [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 7 no REF NP_000901 . "neuropeptide Y receptor type 2 [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 8 no REF NP_001012655 . "neuropeptide Y receptor type 2 [Pan troglodytes]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 9 no REF NP_001028004 . "neuropeptide Y receptor type 2 [Macaca mulatta]" . . . . . 100.00 381 98.00 98.00 9.44e-27 . . . . 15831 1 10 no REF XP_002832879 . "PREDICTED: neuropeptide Y receptor type 2 [Pongo abelii]" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 11 no REF XP_003257918 . "PREDICTED: neuropeptide Y receptor type 2 [Nomascus leucogenys]" . . . . . 100.00 381 98.00 100.00 1.06e-26 . . . . 15831 1 12 no SP P49146 . "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 13 no SP Q5IS62 . "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor" . . . . . 100.00 381 100.00 100.00 2.38e-27 . . . . 15831 1 14 no SP Q9GK74 . "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor [Macaca mulatta]" . . . . . 100.00 381 98.00 98.00 9.44e-27 . . . . 15831 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neurohormone receptor' 15831 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 . 15831 1 2 . GLY . 15831 1 3 . PRO . 15831 1 4 . ILE . 15831 1 5 . GLY . 15831 1 6 . ALA . 15831 1 7 . GLU . 15831 1 8 . ALA . 15831 1 9 . ASP . 15831 1 10 . GLU . 15831 1 11 . ASN . 15831 1 12 . GLN . 15831 1 13 . THR . 15831 1 14 . VAL . 15831 1 15 . GLU . 15831 1 16 . GLU . 15831 1 17 . MET . 15831 1 18 . LYS . 15831 1 19 . VAL . 15831 1 20 . GLU . 15831 1 21 . GLN . 15831 1 22 . TYR . 15831 1 23 . GLY . 15831 1 24 . PRO . 15831 1 25 . GLN . 15831 1 26 . THR . 15831 1 27 . THR . 15831 1 28 . PRO . 15831 1 29 . ARG . 15831 1 30 . GLY . 15831 1 31 . GLU . 15831 1 32 . LEU . 15831 1 33 . VAL . 15831 1 34 . PRO . 15831 1 35 . ASP . 15831 1 36 . PRO . 15831 1 37 . GLU . 15831 1 38 . PRO . 15831 1 39 . GLU . 15831 1 40 . LEU . 15831 1 41 . ILE . 15831 1 42 . ASP . 15831 1 43 . SER . 15831 1 44 . THR . 15831 1 45 . LYS . 15831 1 46 . LEU . 15831 1 47 . ILE . 15831 1 48 . GLU . 15831 1 49 . VAL . 15831 1 50 . GLN . 15831 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 15831 1 . GLY 2 2 15831 1 . PRO 3 3 15831 1 . ILE 4 4 15831 1 . GLY 5 5 15831 1 . ALA 6 6 15831 1 . GLU 7 7 15831 1 . ALA 8 8 15831 1 . ASP 9 9 15831 1 . GLU 10 10 15831 1 . ASN 11 11 15831 1 . GLN 12 12 15831 1 . THR 13 13 15831 1 . VAL 14 14 15831 1 . GLU 15 15 15831 1 . GLU 16 16 15831 1 . MET 17 17 15831 1 . LYS 18 18 15831 1 . VAL 19 19 15831 1 . GLU 20 20 15831 1 . GLN 21 21 15831 1 . TYR 22 22 15831 1 . GLY 23 23 15831 1 . PRO 24 24 15831 1 . GLN 25 25 15831 1 . THR 26 26 15831 1 . THR 27 27 15831 1 . PRO 28 28 15831 1 . ARG 29 29 15831 1 . GLY 30 30 15831 1 . GLU 31 31 15831 1 . LEU 32 32 15831 1 . VAL 33 33 15831 1 . PRO 34 34 15831 1 . ASP 35 35 15831 1 . PRO 36 36 15831 1 . GLU 37 37 15831 1 . PRO 38 38 15831 1 . GLU 39 39 15831 1 . LEU 40 40 15831 1 . ILE 41 41 15831 1 . ASP 42 42 15831 1 . SER 43 43 15831 1 . THR 44 44 15831 1 . LYS 45 45 15831 1 . LEU 46 46 15831 1 . ILE 47 47 15831 1 . GLU 48 48 15831 1 . VAL 49 49 15831 1 . GLN 50 50 15831 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 15831 _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-Y2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . NPY1R_HUMAN . . . . 15831 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 15831 _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-Y2 . '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. ; . . 15831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15831 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; buffer: 20 mM MES, pH 5.5, 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-Y2 [U-15N] . . 1 $N-Y2 . . 0.2 . . mM . . . . 15831 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15831 1 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15831 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15831 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15831 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15831 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; buffer: 20 mM MES, pH 5.5, 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-Y2 [U-15N] . . 1 $N-Y2 . . 0.4 . . mM . . . . 15831 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15831 2 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15831 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15831 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15831 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 15831 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 15831 1 pressure 1 . atm 15831 1 temperature 300 . K 15831 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15831 _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.' . . 15831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15831 1 'data analysis' 15831 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 15831 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15831 _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 . . . 15831 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 15831 _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 . . . . . . . . . . . . . . . . 15831 1 2 '2D 1H-15N NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15831 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 15831 _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 . . . . . . . . . 15831 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 15831 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 15831 _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' . . . 15831 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 . . 15831 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 2 2 GLY H H 1 8.585 0.020 . 1 . . . . 2 GLY H . 15831 1 2 . 1 1 2 2 GLY N N 15 112.057 0.400 . 1 . . . . 2 GLY N . 15831 1 3 . 1 1 4 4 ILE H H 1 8.165 0.020 . 1 . . . . 4 ILE H . 15831 1 4 . 1 1 4 4 ILE N N 15 120.146 0.400 . 1 . . . . 4 ILE N . 15831 1 5 . 1 1 5 5 GLY H H 1 8.421 0.020 . 1 . . . . 5 GLY H . 15831 1 6 . 1 1 5 5 GLY N N 15 112.888 0.400 . 1 . . . . 5 GLY N . 15831 1 7 . 1 1 6 6 ALA H H 1 8.073 0.020 . 1 . . . . 6 ALA H . 15831 1 8 . 1 1 6 6 ALA N N 15 123.610 0.400 . 1 . . . . 6 ALA N . 15831 1 9 . 1 1 7 7 GLU H H 1 8.386 0.020 . 1 . . . . 7 GLU H . 15831 1 10 . 1 1 7 7 GLU N N 15 119.391 0.400 . 1 . . . . 7 GLU N . 15831 1 11 . 1 1 8 8 ALA H H 1 8.136 0.020 . 1 . . . . 8 ALA H . 15831 1 12 . 1 1 8 8 ALA N N 15 123.888 0.400 . 1 . . . . 8 ALA N . 15831 1 13 . 1 1 9 9 ASP H H 1 8.125 0.020 . 1 . . . . 9 ASP H . 15831 1 14 . 1 1 9 9 ASP N N 15 119.127 0.400 . 1 . . . . 9 ASP N . 15831 1 15 . 1 1 10 10 GLU H H 1 8.301 0.020 . 1 . . . . 10 GLU H . 15831 1 16 . 1 1 10 10 GLU N N 15 120.876 0.400 . 1 . . . . 10 GLU N . 15831 1 17 . 1 1 11 11 ASN H H 1 8.372 0.020 . 1 . . . . 11 ASN H . 15831 1 18 . 1 1 11 11 ASN N N 15 118.650 0.400 . 1 . . . . 11 ASN N . 15831 1 19 . 1 1 12 12 GLN H H 1 8.152 0.020 . 1 . . . . 12 GLN H . 15831 1 20 . 1 1 12 12 GLN N N 15 120.304 0.400 . 1 . . . . 12 GLN N . 15831 1 21 . 1 1 13 13 THR H H 1 8.147 0.020 . 1 . . . . 13 THR H . 15831 1 22 . 1 1 13 13 THR N N 15 115.682 0.400 . 1 . . . . 13 THR N . 15831 1 23 . 1 1 14 14 VAL H H 1 8.089 0.020 . 1 . . . . 14 VAL H . 15831 1 24 . 1 1 14 14 VAL N N 15 122.166 0.400 . 1 . . . . 14 VAL N . 15831 1 25 . 1 1 15 15 GLU H H 1 8.327 0.020 . 1 . . . . 15 GLU H . 15831 1 26 . 1 1 15 15 GLU N N 15 123.803 0.400 . 1 . . . . 15 GLU N . 15831 1 27 . 1 1 16 16 GLU H H 1 8.261 0.020 . 1 . . . . 16 GLU H . 15831 1 28 . 1 1 16 16 GLU N N 15 121.468 0.400 . 1 . . . . 16 GLU N . 15831 1 29 . 1 1 17 17 MET H H 1 8.222 0.020 . 1 . . . . 17 MET H . 15831 1 30 . 1 1 17 17 MET N N 15 121.075 0.400 . 1 . . . . 17 MET N . 15831 1 31 . 1 1 18 18 LYS H H 1 8.176 0.020 . 1 . . . . 18 LYS H . 15831 1 32 . 1 1 18 18 LYS N N 15 122.791 0.400 . 1 . . . . 18 LYS N . 15831 1 33 . 1 1 19 19 VAL H H 1 8.023 0.020 . 1 . . . . 19 VAL H . 15831 1 34 . 1 1 19 19 VAL N N 15 121.031 0.400 . 1 . . . . 19 VAL N . 15831 1 35 . 1 1 20 20 GLU H H 1 8.370 0.020 . 1 . . . . 20 GLU H . 15831 1 36 . 1 1 20 20 GLU N N 15 123.881 0.400 . 1 . . . . 20 GLU N . 15831 1 37 . 1 1 21 21 GLN H H 1 8.147 0.020 . 1 . . . . 21 GLN H . 15831 1 38 . 1 1 21 21 GLN N N 15 120.611 0.400 . 1 . . . . 21 GLN N . 15831 1 39 . 1 1 22 22 TYR H H 1 8.120 0.020 . 1 . . . . 22 TYR H . 15831 1 40 . 1 1 22 22 TYR N N 15 120.402 0.400 . 1 . . . . 22 TYR N . 15831 1 41 . 1 1 23 23 GLY H H 1 8.060 0.020 . 1 . . . . 23 GLY H . 15831 1 42 . 1 1 23 23 GLY N N 15 109.826 0.400 . 1 . . . . 23 GLY N . 15831 1 43 . 1 1 25 25 GLN H H 1 8.487 0.020 . 1 . . . . 25 GLN H . 15831 1 44 . 1 1 25 25 GLN N N 15 119.833 0.400 . 1 . . . . 25 GLN N . 15831 1 45 . 1 1 26 26 THR H H 1 8.076 0.020 . 1 . . . . 26 THR H . 15831 1 46 . 1 1 26 26 THR N N 15 114.748 0.400 . 1 . . . . 26 THR N . 15831 1 47 . 1 1 27 27 THR H H 1 8.085 0.020 . 1 . . . . 27 THR H . 15831 1 48 . 1 1 27 27 THR N N 15 118.549 0.400 . 1 . . . . 27 THR N . 15831 1 49 . 1 1 29 29 ARG H H 1 8.327 0.020 . 1 . . . . 29 ARG H . 15831 1 50 . 1 1 29 29 ARG N N 15 121.020 0.400 . 1 . . . . 29 ARG N . 15831 1 51 . 1 1 30 30 GLY H H 1 8.277 0.020 . 1 . . . . 30 GLY H . 15831 1 52 . 1 1 30 30 GLY N N 15 109.439 0.400 . 1 . . . . 30 GLY N . 15831 1 53 . 1 1 31 31 GLU H H 1 8.147 0.020 . 1 . . . . 31 GLU H . 15831 1 54 . 1 1 31 31 GLU N N 15 119.938 0.400 . 1 . . . . 31 GLU N . 15831 1 55 . 1 1 32 32 LEU H H 1 8.188 0.020 . 1 . . . . 32 LEU H . 15831 1 56 . 1 1 32 32 LEU N N 15 122.827 0.400 . 1 . . . . 32 LEU N . 15831 1 57 . 1 1 33 33 VAL H H 1 8.042 0.020 . 1 . . . . 33 VAL H . 15831 1 58 . 1 1 33 33 VAL N N 15 122.646 0.400 . 1 . . . . 33 VAL N . 15831 1 59 . 1 1 35 35 ASP H H 1 8.227 0.020 . 1 . . . . 35 ASP H . 15831 1 60 . 1 1 35 35 ASP N N 15 121.317 0.400 . 1 . . . . 35 ASP N . 15831 1 61 . 1 1 37 37 GLU H H 1 8.302 0.020 . 1 . . . . 37 GLU H . 15831 1 62 . 1 1 37 37 GLU N N 15 121.785 0.400 . 1 . . . . 37 GLU N . 15831 1 63 . 1 1 39 39 GLU H H 1 8.373 0.020 . 1 . . . . 39 GLU H . 15831 1 64 . 1 1 39 39 GLU N N 15 120.138 0.400 . 1 . . . . 39 GLU N . 15831 1 65 . 1 1 40 40 LEU H H 1 8.182 0.020 . 1 . . . . 40 LEU H . 15831 1 66 . 1 1 40 40 LEU N N 15 123.284 0.400 . 1 . . . . 40 LEU N . 15831 1 67 . 1 1 41 41 ILE H H 1 7.977 0.020 . 1 . . . . 41 ILE H . 15831 1 68 . 1 1 41 41 ILE N N 15 121.248 0.400 . 1 . . . . 41 ILE N . 15831 1 69 . 1 1 42 42 ASP H H 1 8.258 0.020 . 1 . . . . 42 ASP H . 15831 1 70 . 1 1 42 42 ASP N N 15 123.929 0.400 . 1 . . . . 42 ASP N . 15831 1 71 . 1 1 43 43 SER H H 1 8.360 0.020 . 1 . . . . 43 SER H . 15831 1 72 . 1 1 43 43 SER N N 15 117.806 0.400 . 1 . . . . 43 SER N . 15831 1 73 . 1 1 44 44 THR H H 1 8.212 0.020 . 1 . . . . 44 THR H . 15831 1 74 . 1 1 44 44 THR N N 15 114.898 0.400 . 1 . . . . 44 THR N . 15831 1 75 . 1 1 45 45 LYS H H 1 7.832 0.020 . 1 . . . . 45 LYS H . 15831 1 76 . 1 1 45 45 LYS N N 15 122.161 0.400 . 1 . . . . 45 LYS N . 15831 1 77 . 1 1 46 46 LEU H H 1 7.918 0.020 . 1 . . . . 46 LEU H . 15831 1 78 . 1 1 46 46 LEU N N 15 122.245 0.400 . 1 . . . . 46 LEU N . 15831 1 79 . 1 1 47 47 ILE H H 1 7.832 0.020 . 1 . . . . 47 ILE H . 15831 1 80 . 1 1 47 47 ILE N N 15 120.248 0.400 . 1 . . . . 47 ILE N . 15831 1 81 . 1 1 48 48 GLU H H 1 8.262 0.020 . 1 . . . . 48 GLU H . 15831 1 82 . 1 1 48 48 GLU N N 15 124.444 0.400 . 1 . . . . 48 GLU N . 15831 1 83 . 1 1 49 49 VAL H H 1 8.062 0.020 . 1 . . . . 49 VAL H . 15831 1 84 . 1 1 49 49 VAL N N 15 121.393 0.400 . 1 . . . . 49 VAL N . 15831 1 85 . 1 1 50 50 GLN H H 1 7.885 0.020 . 1 . . . . 50 GLN H . 15831 1 86 . 1 1 50 50 GLN N N 15 128.501 0.400 . 1 . . . . 50 GLN N . 15831 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 15831 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak 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' . . . 15831 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 . . 15831 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 2 2 GLY N N 15 . 1 1 2 2 GLY H H 1 -6.21 . . . . . . . . . . . 15831 1 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.00 . . . . . . . . . . . 15831 1 3 . 1 1 5 5 GLY N N 15 . 1 1 5 5 GLY H H 1 -0.28 . . . . . . . . . . . 15831 1 4 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 -0.21 . . . . . . . . . . . 15831 1 5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 -0.16 . . . . . . . . . . . 15831 1 6 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 -0.07 . . . . . . . . . . . 15831 1 7 . 1 1 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 -0.05 . . . . . . . . . . . 15831 1 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 -0.13 . . . . . . . . . . . 15831 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 -0.04 . . . . . . . . . . . 15831 1 10 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN H H 1 -0.03 . . . . . . . . . . . 15831 1 11 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 0.02 . . . . . . . . . . . 15831 1 12 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.00 . . . . . . . . . . . 15831 1 13 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 -0.03 . . . . . . . . . . . 15831 1 14 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 -0.03 . . . . . . . . . . . 15831 1 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.01 . . . . . . . . . . . 15831 1 16 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 -0.01 . . . . . . . . . . . 15831 1 17 . 1 1 19 19 VAL N N 15 . 1 1 19 19 VAL H H 1 0.00 . . . . . . . . . . . 15831 1 18 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.01 . . . . . . . . . . . 15831 1 19 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.05 . . . . . . . . . . . 15831 1 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.03 . . . . . . . . . . . 15831 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 -0.09 . . . . . . . . . . . 15831 1 22 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 -0.03 . . . . . . . . . . . 15831 1 23 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 -0.02 . . . . . . . . . . . 15831 1 24 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 -0.01 . . . . . . . . . . . 15831 1 25 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 -0.05 . . . . . . . . . . . 15831 1 26 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 -0.08 . . . . . . . . . . . 15831 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.05 . . . . . . . . . . . 15831 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.03 . . . . . . . . . . . 15831 1 29 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 -0.06 . . . . . . . . . . . 15831 1 30 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.13 . . . . . . . . . . . 15831 1 31 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 -0.01 . . . . . . . . . . . 15831 1 32 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.01 . . . . . . . . . . . 15831 1 33 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.04 . . . . . . . . . . . 15831 1 34 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 -0.07 . . . . . . . . . . . 15831 1 35 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 -0.03 . . . . . . . . . . . 15831 1 36 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 0.04 . . . . . . . . . . . 15831 1 37 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.12 . . . . . . . . . . . 15831 1 38 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.05 . . . . . . . . . . . 15831 1 39 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 -0.06 . . . . . . . . . . . 15831 1 40 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 -0.06 . . . . . . . . . . . 15831 1 41 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 -0.26 . . . . . . . . . . . 15831 1 42 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 -0.45 . . . . . . . . . . . 15831 1 43 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 -0.44 . . . . . . . . . . . 15831 1 stop_ save_