data_17032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17032 _Entry.Title ; 1H, 13C, and 15N chemical shifts and structure of brazzein-derived peptide CKR-PNG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-30 _Entry.Accession_date 2010-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '18 residue beta-hairpin peptide derived from the N- and C-termini of brazzein' loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sannali Dittli . M. . . 17032 2 Fariba Assadi-Porter . M. . . 17032 3 Hongyu Rao . . . . 17032 4 Marco Tonelli . . . . 17032 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17032 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Markley group' . 17032 2 . NMRFAM . 17032 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17032 heteronucl_NOEs 1 17032 spectral_peak_list 2 17032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 67 17032 '15N chemical shifts' 17 17032 '1H chemical shifts' 105 17032 'heteronuclear NOE values' 16 17032 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-16 2010-06-30 update BMRB 'update entry citation' 17032 1 . . 2011-08-17 2010-06-30 original author 'original release' 17032 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KGQ 'WT-brazzein, revised structure' 17032 PDB 2KYQ CKR-brazzein 17032 PDB 2L07 'BMRB Entry Tracking System' 17032 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17032 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21765060 _Citation.Full_citation . _Citation.Title ; Structural role of the terminal disulfide bond in the sweetness of brazzein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Senses' _Citation.Journal_name_full 'Chemical senses' _Citation.Journal_volume 36 _Citation.Journal_issue 9 _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 821 _Citation.Page_last 830 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sannali Dittli . M. . . 17032 1 2 Hongyu Rao . . . . 17032 1 3 Marco Tonelli . . . . 17032 1 4 Jeniffer Quijada . . . . 17032 1 5 John Markley . L. . . 17032 1 6 Marianna Max . . . . 17032 1 7 Fariba Assadi-Porter . . . . 17032 1 8 Emeline Maillet . . . . 17032 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta-hairpin peptides' 17032 1 brazzein 17032 1 'sweet protein' 17032 1 'sweet-taste receptor' 17032 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 17032 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Insights into the sweetness of brazzein from beta-hairpin peptides derived from the N- and C- termini of brazzein ; _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 'University of Wisconsin-Madison' _Citation.Thesis_institution_city 'Madison, WI' _Citation.Thesis_institution_country USA _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sannali Dittli . M. . . 17032 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta-hairpin peptides' 17032 2 brazzein 17032 2 'sweet protein' 17032 2 'sweet-taste receptor' 17032 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17032 _Assembly.ID 1 _Assembly.Name CKR-PNG _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 2138 _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 CKR-PNG 1 $CKR-PNG A . yes native no no . . . 17032 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . . . 17032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CKR-PNG _Entity.Sf_category entity _Entity.Sf_framecode CKR-PNG _Entity.Entry_ID 17032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CKR-PNG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DCKRKVYPNGSISDYCEY ; _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; residues K3C4K5 of the C-terminal strand of WT-brazzein have been mutated to C3K4R5 in CKR-brazzein and peptide CKR-PNG ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2138 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 2L07 . ; 1h, 13c, And 15n Chemical Shifts And Structure Of Brazzein-Derived Peptide Ckr-Png ; . . . . . 94.44 18 100.00 100.00 1.84e-02 . . . . 17032 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'sweet protein' 17032 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 . ASP . 17032 1 2 . CYS . 17032 1 3 . LYS . 17032 1 4 . ARG . 17032 1 5 . LYS . 17032 1 6 . VAL . 17032 1 7 . TYR . 17032 1 8 . PRO . 17032 1 9 . ASN . 17032 1 10 . GLY . 17032 1 11 . SER . 17032 1 12 . ILE . 17032 1 13 . SER . 17032 1 14 . ASP . 17032 1 15 . TYR . 17032 1 16 . CYS . 17032 1 17 . GLU . 17032 1 18 . TYR . 17032 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 . ASP 1 1 17032 1 . CYS 2 2 17032 1 . LYS 3 3 17032 1 . ARG 4 4 17032 1 . LYS 5 5 17032 1 . VAL 6 6 17032 1 . TYR 7 7 17032 1 . PRO 8 8 17032 1 . ASN 9 9 17032 1 . GLY 10 10 17032 1 . SER 11 11 17032 1 . ILE 12 12 17032 1 . SER 13 13 17032 1 . ASP 14 14 17032 1 . TYR 15 15 17032 1 . CYS 16 16 17032 1 . GLU 17 17 17032 1 . TYR 18 18 17032 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 17032 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CKR-PNG . 43545 organism . 'Pentadiplandra brazzeana' 'Pentadiplandra brazzeana' . . Eukaryota Viridiplantae Pentadiplandra brazzeana . . . . . . . . . . . . 'source of WT-brazzein' 17032 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 17032 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CKR-PNG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21-CodonPlus (DE3) RIPL' . . . . . pEt9a . . . 17032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DL-CKR-PNG _Sample.Sf_category sample _Sample.Sf_framecode DL-CKR-PNG _Sample.Entry_ID 17032 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CKR-PNG '[U-99% 13C; U-99% 15N]' . . 1 $CKR-PNG . . . 1 2 mM . . . . 17032 1 2 DSS 'natural abundance' . . . . . . 17 . . uM . . . . 17032 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17032 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17032 1 stop_ save_ save_15N-CKR-PNG _Sample.Sf_category sample _Sample.Sf_framecode 15N-CKR-PNG _Sample.Entry_ID 17032 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CKR-PNG '[U-99% 15N]' . . 1 $CKR-PNG . . . 1 2 mM . . . . 17032 2 2 DSS 'natural abundance' . . . . . . 17 . . uM . . . . 17032 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17032 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17032 2 stop_ save_ ####################### # Sample conditions # ####################### save_CKR-PNG_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CKR-PNG_conditions _Sample_condition_list.Entry_ID 17032 _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 5.0 0.2 pH 17032 1 pressure 1 . atm 17032 1 temperature 273 . K 17032 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17032 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17032 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17032 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17032 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17032 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17032 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17032 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17032 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17032 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17032 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17032 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17032 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17032 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17032 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17032 5 'peak picking' 17032 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17032 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17032 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17032 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17032 _Software.ID 7 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17032 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17032 7 'structure solution' 17032 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17032 _Software.ID 8 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17032 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 17032 8 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 17032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17032 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryogenic triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17032 _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 Varian INOVA . 800 'cryogenic triple resonance probe' . . 17032 1 2 spectrometer_2 Varian INOVA . 600 'cryogenic triple resonance probe' . . 17032 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 17032 _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 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 5 '3D HNCO' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 6 '3D HNCACB' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17032 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $DL-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17032 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N-CKR-PNG isotropic . . 1 $CKR-PNG_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17032 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 17032 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 17032 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 17032 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 17032 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_CKR-PNG-shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CKR-PNG-shifts _Assigned_chem_shift_list.Entry_ID 17032 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CKR-PNG_conditions _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' . . . 17032 1 2 '2D 1H-13C HSQC' . . . 17032 1 3 '3D CBCA(CO)NH' . . . 17032 1 4 '3D C(CO)NH' . . . 17032 1 5 '3D HNCO' . . . 17032 1 6 '3D HNCACB' . . . 17032 1 7 '3D HBHA(CO)NH' . . . 17032 1 8 '3D H(CCO)NH' . . . 17032 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 2 $NMRPipe . . 17032 1 3 $NMRDraw . . 17032 1 4 $PINE . . 17032 1 5 $SPARKY . . 17032 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.284 0.003 . 1 . . . . . 1 ASP HA . 17032 1 2 . 1 1 1 1 ASP HB2 H 1 2.743 0.000 . 2 . . . . . 1 ASP HB2 . 17032 1 3 . 1 1 1 1 ASP HB3 H 1 2.799 0.000 . 2 . . . . . 1 ASP HB3 . 17032 1 4 . 1 1 1 1 ASP C C 13 172.189 0.000 . 1 . . . . . 1 ASP C . 17032 1 5 . 1 1 1 1 ASP CA C 13 53.249 0.067 . 1 . . . . . 1 ASP CA . 17032 1 6 . 1 1 1 1 ASP CB C 13 40.003 0.063 . 1 . . . . . 1 ASP CB . 17032 1 7 . 1 1 2 2 CYS H H 1 8.785 0.002 . 1 . . . . . 2 CYS H . 17032 1 8 . 1 1 2 2 CYS HA H 1 4.800 0.007 . 1 . . . . . 2 CYS HA . 17032 1 9 . 1 1 2 2 CYS HB2 H 1 2.958 0.003 . 1 . . . . . 2 CYS HB2 . 17032 1 10 . 1 1 2 2 CYS HB3 H 1 3.192 0.004 . 1 . . . . . 2 CYS HB3 . 17032 1 11 . 1 1 2 2 CYS C C 13 173.095 0.000 . 1 . . . . . 2 CYS C . 17032 1 12 . 1 1 2 2 CYS CA C 13 55.468 0.048 . 1 . . . . . 2 CYS CA . 17032 1 13 . 1 1 2 2 CYS CB C 13 43.648 0.056 . 1 . . . . . 2 CYS CB . 17032 1 14 . 1 1 2 2 CYS N N 15 118.797 0.011 . 1 . . . . . 2 CYS N . 17032 1 15 . 1 1 3 3 LYS H H 1 8.717 0.002 . 1 . . . . . 3 LYS H . 17032 1 16 . 1 1 3 3 LYS HA H 1 4.360 0.004 . 1 . . . . . 3 LYS HA . 17032 1 17 . 1 1 3 3 LYS HB2 H 1 1.688 0.000 . 2 . . . . . 3 LYS HB2 . 17032 1 18 . 1 1 3 3 LYS HB3 H 1 1.757 0.000 . 2 . . . . . 3 LYS HB3 . 17032 1 19 . 1 1 3 3 LYS HD2 H 1 1.647 0.006 . 2 . . . . . 3 LYS QD . 17032 1 20 . 1 1 3 3 LYS HD3 H 1 1.647 0.006 . 2 . . . . . 3 LYS QD . 17032 1 21 . 1 1 3 3 LYS HE2 H 1 2.954 0.001 . 2 . . . . . 3 LYS QE . 17032 1 22 . 1 1 3 3 LYS HE3 H 1 2.954 0.001 . 2 . . . . . 3 LYS QE . 17032 1 23 . 1 1 3 3 LYS HG2 H 1 1.365 0.002 . 2 . . . . . 3 LYS QG . 17032 1 24 . 1 1 3 3 LYS HG3 H 1 1.365 0.002 . 2 . . . . . 3 LYS QG . 17032 1 25 . 1 1 3 3 LYS C C 13 175.269 0.000 . 1 . . . . . 3 LYS C . 17032 1 26 . 1 1 3 3 LYS CA C 13 55.963 0.065 . 1 . . . . . 3 LYS CA . 17032 1 27 . 1 1 3 3 LYS CB C 13 33.453 0.059 . 1 . . . . . 3 LYS CB . 17032 1 28 . 1 1 3 3 LYS CD C 13 29.197 0.041 . 1 . . . . . 3 LYS CD . 17032 1 29 . 1 1 3 3 LYS CE C 13 42.173 0.013 . 1 . . . . . 3 LYS CE . 17032 1 30 . 1 1 3 3 LYS CG C 13 24.784 0.064 . 1 . . . . . 3 LYS CG . 17032 1 31 . 1 1 3 3 LYS N N 15 124.429 0.013 . 1 . . . . . 3 LYS N . 17032 1 32 . 1 1 4 4 ARG H H 1 8.336 0.002 . 1 . . . . . 4 ARG H . 17032 1 33 . 1 1 4 4 ARG HA H 1 4.522 0.005 . 1 . . . . . 4 ARG HA . 17032 1 34 . 1 1 4 4 ARG HB2 H 1 1.550 0.002 . 2 . . . . . 4 ARG HB2 . 17032 1 35 . 1 1 4 4 ARG HB3 H 1 1.789 0.002 . 2 . . . . . 4 ARG HB3 . 17032 1 36 . 1 1 4 4 ARG HD2 H 1 3.040 0.000 . 2 . . . . . 4 ARG HD2 . 17032 1 37 . 1 1 4 4 ARG HD3 H 1 3.083 0.001 . 2 . . . . . 4 ARG HD3 . 17032 1 38 . 1 1 4 4 ARG HG2 H 1 1.457 0.000 . 2 . . . . . 4 ARG HG2 . 17032 1 39 . 1 1 4 4 ARG HG3 H 1 1.557 0.004 . 2 . . . . . 4 ARG HG3 . 17032 1 40 . 1 1 4 4 ARG C C 13 176.063 0.000 . 1 . . . . . 4 ARG C . 17032 1 41 . 1 1 4 4 ARG CA C 13 55.331 0.045 . 1 . . . . . 4 ARG CA . 17032 1 42 . 1 1 4 4 ARG CB C 13 31.541 0.039 . 1 . . . . . 4 ARG CB . 17032 1 43 . 1 1 4 4 ARG CD C 13 43.276 0.005 . 1 . . . . . 4 ARG CD . 17032 1 44 . 1 1 4 4 ARG CG C 13 27.346 0.022 . 1 . . . . . 4 ARG CG . 17032 1 45 . 1 1 4 4 ARG N N 15 124.257 0.007 . 1 . . . . . 4 ARG N . 17032 1 46 . 1 1 5 5 LYS H H 1 8.549 0.002 . 1 . . . . . 5 LYS H . 17032 1 47 . 1 1 5 5 LYS HA H 1 4.185 0.004 . 1 . . . . . 5 LYS HA . 17032 1 48 . 1 1 5 5 LYS HB2 H 1 1.512 0.005 . 2 . . . . . 5 LYS QB . 17032 1 49 . 1 1 5 5 LYS HB3 H 1 1.512 0.005 . 2 . . . . . 5 LYS QB . 17032 1 50 . 1 1 5 5 LYS HD2 H 1 1.478 0.006 . 2 . . . . . 5 LYS QD . 17032 1 51 . 1 1 5 5 LYS HD3 H 1 1.478 0.006 . 2 . . . . . 5 LYS QD . 17032 1 52 . 1 1 5 5 LYS HE2 H 1 2.708 0.001 . 2 . . . . . 5 LYS HE2 . 17032 1 53 . 1 1 5 5 LYS HE3 H 1 2.750 0.001 . 2 . . . . . 5 LYS HE3 . 17032 1 54 . 1 1 5 5 LYS HG2 H 1 0.935 0.000 . 2 . . . . . 5 LYS HG2 . 17032 1 55 . 1 1 5 5 LYS HG3 H 1 1.115 0.003 . 2 . . . . . 5 LYS HG3 . 17032 1 56 . 1 1 5 5 LYS C C 13 174.340 0.000 . 1 . . . . . 5 LYS C . 17032 1 57 . 1 1 5 5 LYS CA C 13 56.126 0.040 . 1 . . . . . 5 LYS CA . 17032 1 58 . 1 1 5 5 LYS CB C 13 33.925 0.042 . 1 . . . . . 5 LYS CB . 17032 1 59 . 1 1 5 5 LYS CD C 13 29.299 0.048 . 1 . . . . . 5 LYS CD . 17032 1 60 . 1 1 5 5 LYS CE C 13 42.120 0.028 . 1 . . . . . 5 LYS CE . 17032 1 61 . 1 1 5 5 LYS CG C 13 24.924 0.001 . 1 . . . . . 5 LYS CG . 17032 1 62 . 1 1 5 5 LYS N N 15 124.791 0.011 . 1 . . . . . 5 LYS N . 17032 1 63 . 1 1 6 6 VAL H H 1 8.172 0.002 . 1 . . . . . 6 VAL H . 17032 1 64 . 1 1 6 6 VAL HA H 1 4.403 0.004 . 1 . . . . . 6 VAL HA . 17032 1 65 . 1 1 6 6 VAL HB H 1 1.853 0.001 . 1 . . . . . 6 VAL HB . 17032 1 66 . 1 1 6 6 VAL HG11 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1 67 . 1 1 6 6 VAL HG12 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1 68 . 1 1 6 6 VAL HG13 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1 69 . 1 1 6 6 VAL HG21 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1 70 . 1 1 6 6 VAL HG22 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1 71 . 1 1 6 6 VAL HG23 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1 72 . 1 1 6 6 VAL C C 13 176.580 0.000 . 1 . . . . . 6 VAL C . 17032 1 73 . 1 1 6 6 VAL CA C 13 61.335 0.058 . 1 . . . . . 6 VAL CA . 17032 1 74 . 1 1 6 6 VAL CB C 13 32.791 0.053 . 1 . . . . . 6 VAL CB . 17032 1 75 . 1 1 6 6 VAL CG1 C 13 21.084 0.011 . 2 . . . . . 6 VAL CG1 . 17032 1 76 . 1 1 6 6 VAL CG2 C 13 20.938 0.004 . 2 . . . . . 6 VAL CG2 . 17032 1 77 . 1 1 6 6 VAL N N 15 123.935 0.013 . 1 . . . . . 6 VAL N . 17032 1 78 . 1 1 7 7 TYR H H 1 8.923 0.002 . 1 . . . . . 7 TYR H . 17032 1 79 . 1 1 7 7 TYR HA H 1 4.665 0.004 . 1 . . . . . 7 TYR HA . 17032 1 80 . 1 1 7 7 TYR HB2 H 1 2.915 0.002 . 2 . . . . . 7 TYR HB2 . 17032 1 81 . 1 1 7 7 TYR HB3 H 1 3.171 0.000 . 2 . . . . . 7 TYR HB3 . 17032 1 82 . 1 1 7 7 TYR CA C 13 57.651 0.036 . 1 . . . . . 7 TYR CA . 17032 1 83 . 1 1 7 7 TYR CB C 13 37.212 0.065 . 1 . . . . . 7 TYR CB . 17032 1 84 . 1 1 7 7 TYR N N 15 127.380 0.018 . 1 . . . . . 7 TYR N . 17032 1 85 . 1 1 8 8 PRO HA H 1 4.368 0.002 . 1 . . . . . 8 PRO HA . 17032 1 86 . 1 1 8 8 PRO HB2 H 1 1.962 0.002 . 2 . . . . . 8 PRO HB2 . 17032 1 87 . 1 1 8 8 PRO HB3 H 1 2.414 0.002 . 2 . . . . . 8 PRO HB3 . 17032 1 88 . 1 1 8 8 PRO HD2 H 1 3.980 0.002 . 2 . . . . . 8 PRO QD . 17032 1 89 . 1 1 8 8 PRO HD3 H 1 3.980 0.002 . 2 . . . . . 8 PRO QD . 17032 1 90 . 1 1 8 8 PRO HG2 H 1 2.080 0.000 . 2 . . . . . 8 PRO HG2 . 17032 1 91 . 1 1 8 8 PRO HG3 H 1 2.169 0.011 . 2 . . . . . 8 PRO HG3 . 17032 1 92 . 1 1 8 8 PRO C C 13 176.789 0.000 . 1 . . . . . 8 PRO C . 17032 1 93 . 1 1 8 8 PRO CA C 13 65.435 0.071 . 1 . . . . . 8 PRO CA . 17032 1 94 . 1 1 8 8 PRO CB C 13 31.863 0.041 . 1 . . . . . 8 PRO CB . 17032 1 95 . 1 1 8 8 PRO CD C 13 50.950 0.068 . 1 . . . . . 8 PRO CD . 17032 1 96 . 1 1 8 8 PRO CG C 13 27.834 0.032 . 1 . . . . . 8 PRO CG . 17032 1 97 . 1 1 9 9 ASN H H 1 7.860 0.002 . 1 . . . . . 9 ASN H . 17032 1 98 . 1 1 9 9 ASN HA H 1 4.624 0.006 . 1 . . . . . 9 ASN HA . 17032 1 99 . 1 1 9 9 ASN HB2 H 1 2.844 0.001 . 2 . . . . . 9 ASN HB2 . 17032 1 100 . 1 1 9 9 ASN HB3 H 1 3.222 0.002 . 2 . . . . . 9 ASN HB3 . 17032 1 101 . 1 1 9 9 ASN HD21 H 1 6.885 0.000 . 2 . . . . . 9 ASN HD21 . 17032 1 102 . 1 1 9 9 ASN HD22 H 1 7.609 0.000 . 2 . . . . . 9 ASN HD22 . 17032 1 103 . 1 1 9 9 ASN C C 13 176.403 0.000 . 1 . . . . . 9 ASN C . 17032 1 104 . 1 1 9 9 ASN CA C 13 52.717 0.029 . 1 . . . . . 9 ASN CA . 17032 1 105 . 1 1 9 9 ASN CB C 13 37.289 0.062 . 1 . . . . . 9 ASN CB . 17032 1 106 . 1 1 9 9 ASN N N 15 112.854 0.015 . 1 . . . . . 9 ASN N . 17032 1 107 . 1 1 9 9 ASN ND2 N 15 111.242 0.000 . 1 . . . . . 9 ASN ND2 . 17032 1 108 . 1 1 10 10 GLY H H 1 8.566 0.011 . 1 . . . . . 10 GLY H . 17032 1 109 . 1 1 10 10 GLY HA2 H 1 3.604 0.005 . 2 . . . . . 10 GLY HA2 . 17032 1 110 . 1 1 10 10 GLY HA3 H 1 4.302 0.004 . 2 . . . . . 10 GLY HA3 . 17032 1 111 . 1 1 10 10 GLY C C 13 174.439 0.000 . 1 . . . . . 10 GLY C . 17032 1 112 . 1 1 10 10 GLY CA C 13 45.175 0.042 . 1 . . . . . 10 GLY CA . 17032 1 113 . 1 1 10 10 GLY N N 15 109.321 0.010 . 1 . . . . . 10 GLY N . 17032 1 114 . 1 1 11 11 SER H H 1 7.893 0.002 . 1 . . . . . 11 SER H . 17032 1 115 . 1 1 11 11 SER HA H 1 4.424 0.004 . 1 . . . . . 11 SER HA . 17032 1 116 . 1 1 11 11 SER HB2 H 1 3.914 0.007 . 2 . . . . . 11 SER HB2 . 17032 1 117 . 1 1 11 11 SER HB3 H 1 3.960 0.008 . 2 . . . . . 11 SER HB3 . 17032 1 118 . 1 1 11 11 SER C C 13 172.440 0.000 . 1 . . . . . 11 SER C . 17032 1 119 . 1 1 11 11 SER CA C 13 58.911 0.067 . 1 . . . . . 11 SER CA . 17032 1 120 . 1 1 11 11 SER CB C 13 64.198 0.062 . 1 . . . . . 11 SER CB . 17032 1 121 . 1 1 11 11 SER N N 15 116.540 0.008 . 1 . . . . . 11 SER N . 17032 1 122 . 1 1 12 12 ILE H H 1 8.344 0.002 . 1 . . . . . 12 ILE H . 17032 1 123 . 1 1 12 12 ILE HA H 1 4.759 0.005 . 1 . . . . . 12 ILE HA . 17032 1 124 . 1 1 12 12 ILE HB H 1 1.705 0.001 . 1 . . . . . 12 ILE HB . 17032 1 125 . 1 1 12 12 ILE HD11 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1 126 . 1 1 12 12 ILE HD12 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1 127 . 1 1 12 12 ILE HD13 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1 128 . 1 1 12 12 ILE HG12 H 1 1.100 0.002 . 2 . . . . . 12 ILE HG12 . 17032 1 129 . 1 1 12 12 ILE HG13 H 1 1.566 0.005 . 2 . . . . . 12 ILE HG13 . 17032 1 130 . 1 1 12 12 ILE HG21 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1 131 . 1 1 12 12 ILE HG22 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1 132 . 1 1 12 12 ILE HG23 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1 133 . 1 1 12 12 ILE C C 13 176.771 0.000 . 1 . . . . . 12 ILE C . 17032 1 134 . 1 1 12 12 ILE CA C 13 60.450 0.053 . 1 . . . . . 12 ILE CA . 17032 1 135 . 1 1 12 12 ILE CB C 13 40.270 0.045 . 1 . . . . . 12 ILE CB . 17032 1 136 . 1 1 12 12 ILE CD1 C 13 13.421 0.071 . 1 . . . . . 12 ILE CD1 . 17032 1 137 . 1 1 12 12 ILE CG1 C 13 27.553 0.054 . 1 . . . . . 12 ILE CG1 . 17032 1 138 . 1 1 12 12 ILE CG2 C 13 17.943 0.077 . 1 . . . . . 12 ILE CG2 . 17032 1 139 . 1 1 12 12 ILE N N 15 120.129 0.017 . 1 . . . . . 12 ILE N . 17032 1 140 . 1 1 13 13 SER H H 1 8.642 0.001 . 1 . . . . . 13 SER H . 17032 1 141 . 1 1 13 13 SER HA H 1 4.466 0.006 . 1 . . . . . 13 SER HA . 17032 1 142 . 1 1 13 13 SER HB2 H 1 3.664 0.001 . 2 . . . . . 13 SER HB2 . 17032 1 143 . 1 1 13 13 SER HB3 H 1 3.709 0.010 . 2 . . . . . 13 SER HB3 . 17032 1 144 . 1 1 13 13 SER C C 13 173.739 0.000 . 1 . . . . . 13 SER C . 17032 1 145 . 1 1 13 13 SER CA C 13 58.146 0.054 . 1 . . . . . 13 SER CA . 17032 1 146 . 1 1 13 13 SER CB C 13 64.801 0.093 . 1 . . . . . 13 SER CB . 17032 1 147 . 1 1 13 13 SER N N 15 120.814 0.019 . 1 . . . . . 13 SER N . 17032 1 148 . 1 1 14 14 ASP H H 1 8.451 0.002 . 1 . . . . . 14 ASP H . 17032 1 149 . 1 1 14 14 ASP HA H 1 4.676 0.002 . 1 . . . . . 14 ASP HA . 17032 1 150 . 1 1 14 14 ASP HB2 H 1 2.439 0.006 . 2 . . . . . 14 ASP HB2 . 17032 1 151 . 1 1 14 14 ASP HB3 H 1 2.545 0.005 . 2 . . . . . 14 ASP HB3 . 17032 1 152 . 1 1 14 14 ASP C C 13 175.561 0.000 . 1 . . . . . 14 ASP C . 17032 1 153 . 1 1 14 14 ASP CA C 13 54.662 0.044 . 1 . . . . . 14 ASP CA . 17032 1 154 . 1 1 14 14 ASP CB C 13 41.149 0.064 . 1 . . . . . 14 ASP CB . 17032 1 155 . 1 1 14 14 ASP N N 15 121.502 0.016 . 1 . . . . . 14 ASP N . 17032 1 156 . 1 1 15 15 TYR H H 1 8.085 0.002 . 1 . . . . . 15 TYR H . 17032 1 157 . 1 1 15 15 TYR HA H 1 4.738 0.003 . 1 . . . . . 15 TYR HA . 17032 1 158 . 1 1 15 15 TYR HB2 H 1 2.908 0.000 . 2 . . . . . 15 TYR HB2 . 17032 1 159 . 1 1 15 15 TYR HB3 H 1 3.028 0.003 . 2 . . . . . 15 TYR HB3 . 17032 1 160 . 1 1 15 15 TYR C C 13 174.814 0.000 . 1 . . . . . 15 TYR C . 17032 1 161 . 1 1 15 15 TYR CA C 13 56.559 0.054 . 1 . . . . . 15 TYR CA . 17032 1 162 . 1 1 15 15 TYR CB C 13 39.965 0.069 . 1 . . . . . 15 TYR CB . 17032 1 163 . 1 1 15 15 TYR N N 15 119.015 0.014 . 1 . . . . . 15 TYR N . 17032 1 164 . 1 1 16 16 CYS H H 1 8.620 0.007 . 1 . . . . . 16 CYS H . 17032 1 165 . 1 1 16 16 CYS HA H 1 4.683 0.003 . 1 . . . . . 16 CYS HA . 17032 1 166 . 1 1 16 16 CYS HB2 H 1 2.750 0.013 . 1 . . . . . 16 CYS HB2 . 17032 1 167 . 1 1 16 16 CYS HB3 H 1 2.953 0.002 . 1 . . . . . 16 CYS HB3 . 17032 1 168 . 1 1 16 16 CYS C C 13 174.006 0.000 . 1 . . . . . 16 CYS C . 17032 1 169 . 1 1 16 16 CYS CA C 13 54.790 0.039 . 1 . . . . . 16 CYS CA . 17032 1 170 . 1 1 16 16 CYS CB C 13 42.317 0.055 . 1 . . . . . 16 CYS CB . 17032 1 171 . 1 1 16 16 CYS N N 15 121.469 0.026 . 1 . . . . . 16 CYS N . 17032 1 172 . 1 1 17 17 GLU H H 1 8.559 0.001 . 1 . . . . . 17 GLU H . 17032 1 173 . 1 1 17 17 GLU HA H 1 4.246 0.006 . 1 . . . . . 17 GLU HA . 17032 1 174 . 1 1 17 17 GLU HB2 H 1 1.793 0.001 . 2 . . . . . 17 GLU HB2 . 17032 1 175 . 1 1 17 17 GLU HB3 H 1 1.942 0.001 . 2 . . . . . 17 GLU HB3 . 17032 1 176 . 1 1 17 17 GLU HG2 H 1 2.178 0.003 . 2 . . . . . 17 GLU QG . 17032 1 177 . 1 1 17 17 GLU HG3 H 1 2.178 0.003 . 2 . . . . . 17 GLU QG . 17032 1 178 . 1 1 17 17 GLU C C 13 174.889 0.000 . 1 . . . . . 17 GLU C . 17032 1 179 . 1 1 17 17 GLU CA C 13 56.462 0.063 . 1 . . . . . 17 GLU CA . 17032 1 180 . 1 1 17 17 GLU CB C 13 31.095 0.065 . 1 . . . . . 17 GLU CB . 17032 1 181 . 1 1 17 17 GLU CG C 13 36.022 0.037 . 1 . . . . . 17 GLU CG . 17032 1 182 . 1 1 17 17 GLU N N 15 123.097 0.021 . 1 . . . . . 17 GLU N . 17032 1 183 . 1 1 18 18 TYR H H 1 7.921 0.002 . 1 . . . . . 18 TYR H . 17032 1 184 . 1 1 18 18 TYR HA H 1 4.377 0.000 . 1 . . . . . 18 TYR HA . 17032 1 185 . 1 1 18 18 TYR HB2 H 1 2.812 0.000 . 2 . . . . . 18 TYR HB2 . 17032 1 186 . 1 1 18 18 TYR HB3 H 1 3.097 0.000 . 2 . . . . . 18 TYR HB3 . 17032 1 187 . 1 1 18 18 TYR CA C 13 59.477 0.060 . 1 . . . . . 18 TYR CA . 17032 1 188 . 1 1 18 18 TYR CB C 13 39.681 0.060 . 1 . . . . . 18 TYR CB . 17032 1 189 . 1 1 18 18 TYR N N 15 126.304 0.021 . 1 . . . . . 18 TYR N . 17032 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_CKR-PNG-13Cnoesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode CKR-PNG-13Cnoesy _Spectral_peak_list.Entry_ID 17032 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $DL-CKR-PNG _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $CKR-PNG_conditions _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'partially assigned 13C-edited noesy peak list in sparky format' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 CA . . 6499.838 . . . . . . . 17032 1 2 . . H 1 HA . . 7000.350 . . . . . . . 17032 1 3 . . H 1 HA . . 6406.250 . . . . . . . 17032 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 5 $SPARKY . . 17032 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 18000.0 . volume 17032 1 2 60800.0 . volume 17032 1 3 24000.0 . volume 17032 1 4 30100.0 . volume 17032 1 5 29900.0 . volume 17032 1 6 1210000.0 . volume 17032 1 7 24700.0 . volume 17032 1 8 16800.0 . volume 17032 1 9 230000.0 . volume 17032 1 10 19200.0 . volume 17032 1 11 11900.0 . volume 17032 1 12 117000.0 . volume 17032 1 13 638000.0 . volume 17032 1 14 117000.0 . volume 17032 1 15 10400.0 . volume 17032 1 16 148000.0 . volume 17032 1 17 12200.0 . volume 17032 1 18 988000.0 . volume 17032 1 19 -19000.0 . volume 17032 1 20 19900.0 . volume 17032 1 21 375000.0 . volume 17032 1 22 -9920.0 . volume 17032 1 23 39500.0 . volume 17032 1 24 -36300.0 . volume 17032 1 25 -14500.0 . volume 17032 1 26 -11900.0 . volume 17032 1 27 17400.0 . volume 17032 1 28 -77700.0 . volume 17032 1 29 195000.0 . volume 17032 1 30 1650000.0 . volume 17032 1 31 1420000.0 . volume 17032 1 32 1250000.0 . volume 17032 1 33 12600.0 . volume 17032 1 34 27800.0 . volume 17032 1 35 36300.0 . volume 17032 1 36 586000.0 . volume 17032 1 37 388000.0 . volume 17032 1 38 13200.0 . volume 17032 1 39 9790.0 . volume 17032 1 40 12300.0 . volume 17032 1 41 28100.0 . volume 17032 1 42 32100.0 . volume 17032 1 43 401000.0 . volume 17032 1 44 573000.0 . volume 17032 1 45 1120000.0 . volume 17032 1 46 922000.0 . volume 17032 1 47 18600.0 . volume 17032 1 48 23800.0 . volume 17032 1 49 9860.0 . volume 17032 1 50 12800.0 . volume 17032 1 51 17400.0 . volume 17032 1 52 69500.0 . volume 17032 1 53 985000.0 . volume 17032 1 54 14700.0 . volume 17032 1 55 38200.0 . volume 17032 1 56 19100.0 . volume 17032 1 57 10900.0 . volume 17032 1 58 553000.0 . volume 17032 1 59 57200.0 . volume 17032 1 60 623000.0 . volume 17032 1 61 15000.0 . volume 17032 1 62 143000.0 . volume 17032 1 63 33800.0 . volume 17032 1 64 9890.0 . volume 17032 1 65 11700.0 . volume 17032 1 66 -12400.0 . volume 17032 1 67 -12100.0 . volume 17032 1 68 12200.0 . volume 17032 1 69 13600.0 . volume 17032 1 70 30500.0 . volume 17032 1 71 29300.0 . volume 17032 1 72 10500.0 . volume 17032 1 73 12200.0 . volume 17032 1 74 -15200.0 . volume 17032 1 75 -3450000.0 . volume 17032 1 76 -10400.0 . volume 17032 1 77 -17300.0 . volume 17032 1 78 20900.0 . volume 17032 1 79 132000.0 . volume 17032 1 80 1570000.0 . volume 17032 1 81 17400.0 . volume 17032 1 82 20700.0 . volume 17032 1 83 95000.0 . volume 17032 1 84 19000.0 . volume 17032 1 85 60400.0 . volume 17032 1 86 15900.0 . volume 17032 1 87 580000.0 . volume 17032 1 88 1050000.0 . volume 17032 1 89 36100.0 . volume 17032 1 90 11100.0 . volume 17032 1 91 30700.0 . volume 17032 1 92 15400.0 . volume 17032 1 93 12000.0 . volume 17032 1 94 1250000.0 . volume 17032 1 95 541000.0 . volume 17032 1 96 -13300.0 . volume 17032 1 97 32400.0 . volume 17032 1 98 1630000.0 . volume 17032 1 99 83000.0 . volume 17032 1 100 79100.0 . volume 17032 1 101 50200.0 . volume 17032 1 102 377000.0 . volume 17032 1 103 687000.0 . volume 17032 1 104 30300.0 . volume 17032 1 105 12500.0 . volume 17032 1 106 19500.0 . volume 17032 1 107 17200.0 . volume 17032 1 108 30600.0 . volume 17032 1 109 293000.0 . volume 17032 1 110 475000.0 . volume 17032 1 111 49000.0 . volume 17032 1 112 676000.0 . volume 17032 1 113 315000.0 . volume 17032 1 114 24100.0 . volume 17032 1 115 15400.0 . volume 17032 1 116 23000.0 . volume 17032 1 117 31700.0 . volume 17032 1 118 72400.0 . volume 17032 1 119 623000.0 . volume 17032 1 120 391000.0 . volume 17032 1 121 11000.0 . volume 17032 1 122 15300.0 . volume 17032 1 123 148000.0 . volume 17032 1 124 11300.0 . volume 17032 1 125 95600.0 . volume 17032 1 126 10200.0 . volume 17032 1 127 104000.0 . volume 17032 1 128 27100.0 . volume 17032 1 129 17700.0 . volume 17032 1 130 76700.0 . volume 17032 1 131 9700.0 . volume 17032 1 132 9820.0 . volume 17032 1 133 55500.0 . volume 17032 1 134 38400.0 . volume 17032 1 135 35200.0 . volume 17032 1 136 27500.0 . volume 17032 1 137 -15100.0 . volume 17032 1 138 542000.0 . volume 17032 1 139 359000.0 . volume 17032 1 140 11000.0 . volume 17032 1 141 55600.0 . volume 17032 1 142 18200.0 . volume 17032 1 143 -14200.0 . volume 17032 1 144 22300.0 . volume 17032 1 145 -31800.0 . volume 17032 1 146 847000.0 . volume 17032 1 147 -22600.0 . volume 17032 1 148 40100.0 . volume 17032 1 149 59300.0 . volume 17032 1 150 250000.0 . volume 17032 1 151 18300.0 . volume 17032 1 152 19600.0 . volume 17032 1 153 24700.0 . volume 17032 1 154 148000.0 . volume 17032 1 155 77400.0 . volume 17032 1 156 576000.0 . volume 17032 1 157 36200.0 . volume 17032 1 158 -1370000.0 . volume 17032 1 159 -73400.0 . volume 17032 1 160 -11500.0 . volume 17032 1 161 -17800.0 . volume 17032 1 162 -12300.0 . volume 17032 1 163 52000.0 . volume 17032 1 164 774000.0 . volume 17032 1 165 154000.0 . volume 17032 1 166 1300000.0 . volume 17032 1 167 42800.0 . volume 17032 1 168 21200.0 . volume 17032 1 169 905000.0 . volume 17032 1 170 15600.0 . volume 17032 1 171 11100.0 . volume 17032 1 172 262000.0 . volume 17032 1 173 13100.0 . volume 17032 1 174 22100.0 . volume 17032 1 175 12100.0 . volume 17032 1 176 645000.0 . volume 17032 1 177 295000.0 . volume 17032 1 178 -85500.0 . volume 17032 1 179 -862000.0 . volume 17032 1 180 -27500.0 . volume 17032 1 181 -78900.0 . volume 17032 1 182 16300.0 . volume 17032 1 183 543000.0 . volume 17032 1 184 55400.0 . volume 17032 1 185 -15500.0 . volume 17032 1 186 -26900.0 . volume 17032 1 187 13700.0 . volume 17032 1 188 -14700.0 . volume 17032 1 189 11900.0 . volume 17032 1 190 -10700.0 . volume 17032 1 191 18800.0 . volume 17032 1 192 15500.0 . volume 17032 1 193 -11200.0 . volume 17032 1 194 -56600.0 . volume 17032 1 195 -98400.0 . volume 17032 1 196 -6240000.0 . volume 17032 1 197 -10500.0 . volume 17032 1 198 16100.0 . volume 17032 1 199 119000.0 . volume 17032 1 200 66400.0 . volume 17032 1 201 16900.0 . volume 17032 1 202 14900.0 . volume 17032 1 203 18500.0 . volume 17032 1 204 23700.0 . volume 17032 1 205 30200.0 . volume 17032 1 206 1010000.0 . volume 17032 1 207 26100.0 . volume 17032 1 208 29200.0 . volume 17032 1 209 13900.0 . volume 17032 1 210 -11300.0 . volume 17032 1 211 24200.0 . volume 17032 1 212 -21500.0 . volume 17032 1 213 23200.0 . volume 17032 1 214 29300.0 . volume 17032 1 215 -25700.0 . volume 17032 1 216 -21700.0 . volume 17032 1 217 -111000.0 . volume 17032 1 218 -376000.0 . volume 17032 1 219 17000.0 . volume 17032 1 220 -397000.0 . volume 17032 1 221 -138000.0 . volume 17032 1 222 1060000.0 . volume 17032 1 223 141000.0 . volume 17032 1 224 15400.0 . volume 17032 1 225 15500.0 . volume 17032 1 226 16900.0 . volume 17032 1 227 192000.0 . volume 17032 1 228 38300.0 . volume 17032 1 229 363000.0 . volume 17032 1 230 68400.0 . volume 17032 1 231 13400.0 . volume 17032 1 232 -15900.0 . volume 17032 1 233 -80700.0 . volume 17032 1 234 15900.0 . volume 17032 1 235 -33700.0 . volume 17032 1 236 -313000.0 . volume 17032 1 237 -19700.0 . volume 17032 1 238 -156000.0 . volume 17032 1 239 -875000.0 . volume 17032 1 240 -40800.0 . volume 17032 1 241 -23000.0 . volume 17032 1 242 35300.0 . volume 17032 1 243 47500.0 . volume 17032 1 244 19000.0 . volume 17032 1 245 39700.0 . volume 17032 1 246 103000.0 . volume 17032 1 247 492000.0 . volume 17032 1 248 1130000.0 . volume 17032 1 249 20400.0 . volume 17032 1 250 -59700.0 . volume 17032 1 251 -28900.0 . volume 17032 1 252 -34000.0 . volume 17032 1 253 -588000.0 . volume 17032 1 254 -536000.0 . volume 17032 1 255 -11000.0 . volume 17032 1 256 -13000.0 . volume 17032 1 257 135000.0 . volume 17032 1 258 245000.0 . volume 17032 1 259 308000.0 . volume 17032 1 260 510000.0 . volume 17032 1 261 10500.0 . volume 17032 1 262 -11900.0 . volume 17032 1 263 201000.0 . volume 17032 1 264 122000.0 . volume 17032 1 265 14300.0 . volume 17032 1 266 477000.0 . volume 17032 1 267 313000.0 . volume 17032 1 268 -10600.0 . volume 17032 1 269 10500.0 . volume 17032 1 270 1690000.0 . volume 17032 1 271 33900.0 . volume 17032 1 272 12600.0 . volume 17032 1 273 117000.0 . volume 17032 1 274 -13800.0 . volume 17032 1 275 406000.0 . volume 17032 1 276 36800.0 . volume 17032 1 277 9710.0 . volume 17032 1 278 12500.0 . volume 17032 1 279 -3210000.0 . volume 17032 1 280 1350000.0 . volume 17032 1 281 41400.0 . volume 17032 1 282 10900.0 . volume 17032 1 283 -15800.0 . volume 17032 1 284 -13200.0 . volume 17032 1 285 -10900.0 . volume 17032 1 286 -19500.0 . volume 17032 1 287 -18300.0 . volume 17032 1 288 -18300.0 . volume 17032 1 289 -11700.0 . volume 17032 1 290 -43700.0 . volume 17032 1 291 -47100.0 . volume 17032 1 292 -11500.0 . volume 17032 1 293 -1060000.0 . volume 17032 1 294 -962000.0 . volume 17032 1 295 -112000.0 . volume 17032 1 296 -22800.0 . volume 17032 1 297 -19000.0 . volume 17032 1 298 -17200.0 . volume 17032 1 299 -10800.0 . volume 17032 1 300 -9650.0 . volume 17032 1 301 -15500.0 . volume 17032 1 302 -20800.0 . volume 17032 1 303 -10800.0 . volume 17032 1 304 -10900.0 . volume 17032 1 305 -15100.0 . volume 17032 1 306 -11200.0 . volume 17032 1 307 -30500.0 . volume 17032 1 308 -31000.0 . volume 17032 1 309 -625000.0 . volume 17032 1 310 -642000.0 . volume 17032 1 311 -35300.0 . volume 17032 1 312 17500.0 . volume 17032 1 313 -9710.0 . volume 17032 1 314 -14600.0 . volume 17032 1 315 -14600.0 . volume 17032 1 316 1090000.0 . volume 17032 1 317 21500.0 . volume 17032 1 318 40500.0 . volume 17032 1 319 936000.0 . volume 17032 1 320 31900.0 . volume 17032 1 321 376000.0 . volume 17032 1 322 22600.0 . volume 17032 1 323 14600.0 . volume 17032 1 324 14200.0 . volume 17032 1 325 344000.0 . volume 17032 1 326 24200.0 . volume 17032 1 327 24000.0 . volume 17032 1 328 85000.0 . volume 17032 1 329 -28400.0 . volume 17032 1 330 28700.0 . volume 17032 1 331 753000.0 . volume 17032 1 332 29500.0 . volume 17032 1 333 31500.0 . volume 17032 1 334 684000.0 . volume 17032 1 335 360000.0 . volume 17032 1 336 490000.0 . volume 17032 1 337 446000.0 . volume 17032 1 338 4030000.0 . volume 17032 1 339 23200.0 . volume 17032 1 340 15800.0 . volume 17032 1 341 13900.0 . volume 17032 1 342 18100.0 . volume 17032 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 56.545 . . . . . . . . . . . . . 17032 1 1 2 8.556 . . . . . . . . . . . . . 17032 1 1 3 4.247 . . . . . . . . . . . . . 17032 1 2 1 56.556 . . . . . . . . . . . . . 17032 1 2 2 7.924 . . . . . . . . . . . . . 17032 1 2 3 4.245 . . . . . . . . . . . . . 17032 1 3 1 56.597 . . . . . . . . . . . . . 17032 1 3 2 2.168 . . . . . . . . . . . . . 17032 1 3 3 4.244 . . . . . . . . . . . . . 17032 1 4 1 56.592 . . . . . . . . . . . . . 17032 1 4 2 1.934 . . . . . . . . . . . . . 17032 1 4 3 4.248 . . . . . . . . . . . . . 17032 1 5 1 56.561 . . . . . . . . . . . . . 17032 1 5 2 1.789 . . . . . . . . . . . . . 17032 1 5 3 4.246 . . . . . . . . . . . . . 17032 1 6 1 56.463 . . . . . . . . . . . . . 17032 1 6 2 4.241 . . . . . . . . . . . . . 17032 1 6 3 4.243 . . . . . . . . . . . . . 17032 1 7 1 31.54 . . . . . . . . . . . . . 17032 1 7 2 4.531 . . . . . . . . . . . . . 17032 1 7 3 1.797 . . . . . . . . . . . . . 17032 1 8 1 31.57 . . . . . . . . . . . . . 17032 1 8 2 3.063 . . . . . . . . . . . . . 17032 1 8 3 1.795 . . . . . . . . . . . . . 17032 1 9 1 31.569 . . . . . . . . . . . . . 17032 1 9 2 1.564 . . . . . . . . . . . . . 17032 1 9 3 1.794 . . . . . . . . . . . . . 17032 1 10 1 31.587 . . . . . . . . . . . . . 17032 1 10 2 0.887 . . . . . . . . . . . . . 17032 1 10 3 1.79 . . . . . . . . . . . . . 17032 1 11 1 31.371 . . . . . . . . . . . . . 17032 1 11 2 8.569 . . . . . . . . . . . . . 17032 1 11 3 1.805 . . . . . . . . . . . . . 17032 1 12 1 31.375 . . . . . . . . . . . . . 17032 1 12 2 1.88 . . . . . . . . . . . . . 17032 1 12 3 1.888 . . . . . . . . . . . . . 17032 1 13 1 31.435 . . . . . . . . . . . . . 17032 1 13 2 1.792 . . . . . . . . . . . . . 17032 1 13 3 1.795 . . . . . . . . . . . . . 17032 1 14 1 31.281 . . . . . . . . . . . . . 17032 1 14 2 1.951 . . . . . . . . . . . . . 17032 1 14 3 1.795 . . . . . . . . . . . . . 17032 1 15 1 31.622 . . . . . . . . . . . . . 17032 1 15 2 1.566 . . . . . . . . . . . . . 17032 1 15 3 1.977 . . . . . . . . . . . . . 17032 1 16 1 31.277 . . . . . . . . . . . . . 17032 1 16 2 1.791 . . . . . . . . . . . . . 17032 1 16 3 1.943 . . . . . . . . . . . . . 17032 1 17 1 36.257 . . . . . . . . . . . . . 17032 1 17 2 4.232 . . . . . . . . . . . . . 17032 1 17 3 2.178 . . . . . . . . . . . . . 17032 1 18 1 36.207 . . . . . . . . . . . . . 17032 1 18 2 2.177 . . . . . . . . . . . . . 17032 1 18 3 2.177 . . . . . . . . . . . . . 17032 1 19 1 42.552 . . . . . . . . . . . . . 17032 1 19 2 3.004 . . . . . . . . . . . . . 17032 1 19 3 2.902 . . . . . . . . . . . . . 17032 1 20 1 42.366 . . . . . . . . . . . . . 17032 1 20 2 8.59 . . . . . . . . . . . . . 17032 1 20 3 2.955 . . . . . . . . . . . . . 17032 1 21 1 42.362 . . . . . . . . . . . . . 17032 1 21 2 2.763 . . . . . . . . . . . . . 17032 1 21 3 2.956 . . . . . . . . . . . . . 17032 1 22 1 42.148 . . . . . . . . . . . . . 17032 1 22 2 7.667 . . . . . . . . . . . . . 17032 1 22 3 2.958 . . . . . . . . . . . . . 17032 1 23 1 42.276 . . . . . . . . . . . . . 17032 1 23 2 2.554 . . . . . . . . . . . . . 17032 1 23 3 2.959 . . . . . . . . . . . . . 17032 1 24 1 42.728 . . . . . . . . . . . . . 17032 1 24 2 2.76 . . . . . . . . . . . . . 17032 1 24 3 2.671 . . . . . . . . . . . . . 17032 1 25 1 42.74 . . . . . . . . . . . . . 17032 1 25 2 2.654 . . . . . . . . . . . . . 17032 1 25 3 2.786 . . . . . . . . . . . . . 17032 1 26 1 42.768 . . . . . . . . . . . . . 17032 1 26 2 2.615 . . . . . . . . . . . . . 17032 1 26 3 2.734 . . . . . . . . . . . . . 17032 1 27 1 42.347 . . . . . . . . . . . . . 17032 1 27 2 8.614 . . . . . . . . . . . . . 17032 1 27 3 2.742 . . . . . . . . . . . . . 17032 1 28 1 42.353 . . . . . . . . . . . . . 17032 1 28 2 2.962 . . . . . . . . . . . . . 17032 1 28 3 2.849 . . . . . . . . . . . . . 17032 1 29 1 42.418 . . . . . . . . . . . . . 17032 1 29 2 2.949 . . . . . . . . . . . . . 17032 1 29 3 2.744 . . . . . . . . . . . . . 17032 1 30 1 42.177 . . . . . . . . . . . . . 17032 1 30 2 2.726 . . . . . . . . . . . . . 17032 1 30 3 2.75 . . . . . . . . . . . . . 17032 1 31 1 42.126 . . . . . . . . . . . . . 17032 1 31 2 2.736 . . . . . . . . . . . . . 17032 1 31 3 2.711 . . . . . . . . . . . . . 17032 1 32 1 56.562 . . . . . . . . . . . . . 17032 1 32 2 4.739 . . . . . . . . . . . . . 17032 1 32 3 4.743 . . . . . . . . . . . . . 17032 1 33 1 40.1 . . . . . . . . . . . . . 17032 1 33 2 8.625 . . . . . . . . . . . . . 17032 1 33 3 3.036 . . . . . . . . . . . . . 17032 1 34 1 40.087 . . . . . . . . . . . . . 17032 1 34 2 7.084 . . . . . . . . . . . . . 17032 1 34 3 3.036 . . . . . . . . . . . . . 17032 1 35 1 40.112 . . . . . . . . . . . . . 17032 1 35 2 4.737 . . . . . . . . . . . . . 17032 1 35 3 3.039 . . . . . . . . . . . . . 17032 1 36 1 40.083 . . . . . . . . . . . . . 17032 1 36 2 3.039 . . . . . . . . . . . . . 17032 1 36 3 3.038 . . . . . . . . . . . . . 17032 1 37 1 40.077 . . . . . . . . . . . . . 17032 1 37 2 2.899 . . . . . . . . . . . . . 17032 1 37 3 3.037 . . . . . . . . . . . . . 17032 1 38 1 39.975 . . . . . . . . . . . . . 17032 1 38 2 8.086 . . . . . . . . . . . . . 17032 1 38 3 3.034 . . . . . . . . . . . . . 17032 1 39 1 40.059 . . . . . . . . . . . . . 17032 1 39 2 8.608 . . . . . . . . . . . . . 17032 1 39 3 2.908 . . . . . . . . . . . . . 17032 1 40 1 40.067 . . . . . . . . . . . . . 17032 1 40 2 8.088 . . . . . . . . . . . . . 17032 1 40 3 2.912 . . . . . . . . . . . . . 17032 1 41 1 40.057 . . . . . . . . . . . . . 17032 1 41 2 7.081 . . . . . . . . . . . . . 17032 1 41 3 2.907 . . . . . . . . . . . . . 17032 1 42 1 40.112 . . . . . . . . . . . . . 17032 1 42 2 4.737 . . . . . . . . . . . . . 17032 1 42 3 2.906 . . . . . . . . . . . . . 17032 1 43 1 40.098 . . . . . . . . . . . . . 17032 1 43 2 3.039 . . . . . . . . . . . . . 17032 1 43 3 2.905 . . . . . . . . . . . . . 17032 1 44 1 40.089 . . . . . . . . . . . . . 17032 1 44 2 2.901 . . . . . . . . . . . . . 17032 1 44 3 2.905 . . . . . . . . . . . . . 17032 1 45 1 40.009 . . . . . . . . . . . . . 17032 1 45 2 2.775 . . . . . . . . . . . . . 17032 1 45 3 2.81 . . . . . . . . . . . . . 17032 1 46 1 54.778 . . . . . . . . . . . . . 17032 1 46 2 4.686 . . . . . . . . . . . . . 17032 1 46 3 4.681 . . . . . . . . . . . . . 17032 1 47 1 41.312 . . . . . . . . . . . . . 17032 1 47 2 8.44 . . . . . . . . . . . . . 17032 1 47 3 2.546 . . . . . . . . . . . . . 17032 1 48 1 41.316 . . . . . . . . . . . . . 17032 1 48 2 4.697 . . . . . . . . . . . . . 17032 1 48 3 2.544 . . . . . . . . . . . . . 17032 1 49 1 41.798 . . . . . . . . . . . . . 17032 1 49 2 2.73 . . . . . . . . . . . . . 17032 1 49 3 2.399 . . . . . . . . . . . . . 17032 1 50 1 41.303 . . . . . . . . . . . . . 17032 1 50 2 8.441 . . . . . . . . . . . . . 17032 1 50 3 2.427 . . . . . . . . . . . . . 17032 1 51 1 41.26 . . . . . . . . . . . . . 17032 1 51 2 4.682 . . . . . . . . . . . . . 17032 1 51 3 2.426 . . . . . . . . . . . . . 17032 1 52 1 58.199 . . . . . . . . . . . . . 17032 1 52 2 8.447 . . . . . . . . . . . . . 17032 1 52 3 4.466 . . . . . . . . . . . . . 17032 1 53 1 58.186 . . . . . . . . . . . . . 17032 1 53 2 4.467 . . . . . . . . . . . . . 17032 1 53 3 4.466 . . . . . . . . . . . . . 17032 1 54 1 40.398 . . . . . . . . . . . . . 17032 1 54 2 1.073 . . . . . . . . . . . . . 17032 1 54 3 1.708 . . . . . . . . . . . . . 17032 1 55 1 40.39 . . . . . . . . . . . . . 17032 1 55 2 0.87 . . . . . . . . . . . . . 17032 1 55 3 1.711 . . . . . . . . . . . . . 17032 1 56 1 40.325 . . . . . . . . . . . . . 17032 1 56 2 8.357 . . . . . . . . . . . . . 17032 1 56 3 1.711 . . . . . . . . . . . . . 17032 1 57 1 40.335 . . . . . . . . . . . . . 17032 1 57 2 4.748 . . . . . . . . . . . . . 17032 1 57 3 1.715 . . . . . . . . . . . . . 17032 1 58 1 40.357 . . . . . . . . . . . . . 17032 1 58 2 1.708 . . . . . . . . . . . . . 17032 1 58 3 1.71 . . . . . . . . . . . . . 17032 1 59 1 27.841 . . . . . . . . . . . . . 17032 1 59 2 1.74 . . . . . . . . . . . . . 17032 1 59 3 1.573 . . . . . . . . . . . . . 17032 1 60 1 27.841 . . . . . . . . . . . . . 17032 1 60 2 1.572 . . . . . . . . . . . . . 17032 1 60 3 1.574 . . . . . . . . . . . . . 17032 1 61 1 27.841 . . . . . . . . . . . . . 17032 1 61 2 1.279 . . . . . . . . . . . . . 17032 1 61 3 1.575 . . . . . . . . . . . . . 17032 1 62 1 27.841 . . . . . . . . . . . . . 17032 1 62 2 1.103 . . . . . . . . . . . . . 17032 1 62 3 1.576 . . . . . . . . . . . . . 17032 1 63 1 27.841 . . . . . . . . . . . . . 17032 1 63 2 0.85 . . . . . . . . . . . . . 17032 1 63 3 1.573 . . . . . . . . . . . . . 17032 1 64 1 27.841 . . . . . . . . . . . . . 17032 1 64 2 3.056 . . . . . . . . . . . . . 17032 1 64 3 1.572 . . . . . . . . . . . . . 17032 1 65 1 27.841 . . . . . . . . . . . . . 17032 1 65 2 1.851 . . . . . . . . . . . . . 17032 1 65 3 1.58 . . . . . . . . . . . . . 17032 1 66 1 18.42 . . . . . . . . . . . . . 17032 1 66 2 8.691 . . . . . . . . . . . . . 17032 1 66 3 0.886 . . . . . . . . . . . . . 17032 1 67 1 18.534 . . . . . . . . . . . . . 17032 1 67 2 7.697 . . . . . . . . . . . . . 17032 1 67 3 0.882 . . . . . . . . . . . . . 17032 1 68 1 18.457 . . . . . . . . . . . . . 17032 1 68 2 6.333 . . . . . . . . . . . . . 17032 1 68 3 0.883 . . . . . . . . . . . . . 17032 1 69 1 18.501 . . . . . . . . . . . . . 17032 1 69 2 2.815 . . . . . . . . . . . . . 17032 1 69 3 0.883 . . . . . . . . . . . . . 17032 1 70 1 18.428 . . . . . . . . . . . . . 17032 1 70 2 1.231 . . . . . . . . . . . . . 17032 1 70 3 0.884 . . . . . . . . . . . . . 17032 1 71 1 18.51 . . . . . . . . . . . . . 17032 1 71 2 0.537 . . . . . . . . . . . . . 17032 1 71 3 0.887 . . . . . . . . . . . . . 17032 1 72 1 18.367 . . . . . . . . . . . . . 17032 1 72 2 9.104 . . . . . . . . . . . . . 17032 1 72 3 0.877 . . . . . . . . . . . . . 17032 1 73 1 18.079 . . . . . . . . . . . . . 17032 1 73 2 8.989 . . . . . . . . . . . . . 17032 1 73 3 0.89 . . . . . . . . . . . . . 17032 1 74 1 18.185 . . . . . . . . . . . . . 17032 1 74 2 8.659 . . . . . . . . . . . . . 17032 1 74 3 0.883 . . . . . . . . . . . . . 17032 1 75 1 18.001 . . . . . . . . . . . . . 17032 1 75 2 0.888 . . . . . . . . . . . . . 17032 1 75 3 0.888 . . . . . . . . . . . . . 17032 1 76 1 17.876 . . . . . . . . . . . . . 17032 1 76 2 9.152 . . . . . . . . . . . . . 17032 1 76 3 0.89 . . . . . . . . . . . . . 17032 1 77 1 17.783 . . . . . . . . . . . . . 17032 1 77 2 9.052 . . . . . . . . . . . . . 17032 1 77 3 0.884 . . . . . . . . . . . . . 17032 1 78 1 17.857 . . . . . . . . . . . . . 17032 1 78 2 8.88 . . . . . . . . . . . . . 17032 1 78 3 0.889 . . . . . . . . . . . . . 17032 1 79 1 58.963 . . . . . . . . . . . . . 17032 1 79 2 8.35 . . . . . . . . . . . . . 17032 1 79 3 4.425 . . . . . . . . . . . . . 17032 1 80 1 58.966 . . . . . . . . . . . . . 17032 1 80 2 4.423 . . . . . . . . . . . . . 17032 1 80 3 4.424 . . . . . . . . . . . . . 17032 1 81 1 59.059 . . . . . . . . . . . . . 17032 1 81 2 1.563 . . . . . . . . . . . . . 17032 1 81 3 4.428 . . . . . . . . . . . . . 17032 1 82 1 58.944 . . . . . . . . . . . . . 17032 1 82 2 7.898 . . . . . . . . . . . . . 17032 1 82 3 4.424 . . . . . . . . . . . . . 17032 1 83 1 58.942 . . . . . . . . . . . . . 17032 1 83 2 3.933 . . . . . . . . . . . . . 17032 1 83 3 4.424 . . . . . . . . . . . . . 17032 1 84 1 58.926 . . . . . . . . . . . . . 17032 1 84 2 0.861 . . . . . . . . . . . . . 17032 1 84 3 4.422 . . . . . . . . . . . . . 17032 1 85 1 45.222 . . . . . . . . . . . . . 17032 1 85 2 8.569 . . . . . . . . . . . . . 17032 1 85 3 3.601 . . . . . . . . . . . . . 17032 1 86 1 45.2 . . . . . . . . . . . . . 17032 1 86 2 7.892 . . . . . . . . . . . . . 17032 1 86 3 3.604 . . . . . . . . . . . . . 17032 1 87 1 45.195 . . . . . . . . . . . . . 17032 1 87 2 4.301 . . . . . . . . . . . . . 17032 1 87 3 3.598 . . . . . . . . . . . . . 17032 1 88 1 45.192 . . . . . . . . . . . . . 17032 1 88 2 3.603 . . . . . . . . . . . . . 17032 1 88 3 3.601 . . . . . . . . . . . . . 17032 1 89 1 45.177 . . . . . . . . . . . . . 17032 1 89 2 0.89 . . . . . . . . . . . . . 17032 1 89 3 3.6 . . . . . . . . . . . . . 17032 1 90 1 45.676 . . . . . . . . . . . . . 17032 1 90 2 8.82 . . . . . . . . . . . . . 17032 1 90 3 4.397 . . . . . . . . . . . . . 17032 1 91 1 45.219 . . . . . . . . . . . . . 17032 1 91 2 8.566 . . . . . . . . . . . . . 17032 1 91 3 4.304 . . . . . . . . . . . . . 17032 1 92 1 45.214 . . . . . . . . . . . . . 17032 1 92 2 0.886 . . . . . . . . . . . . . 17032 1 92 3 4.302 . . . . . . . . . . . . . 17032 1 93 1 45.2 . . . . . . . . . . . . . 17032 1 93 2 7.894 . . . . . . . . . . . . . 17032 1 93 3 4.311 . . . . . . . . . . . . . 17032 1 94 1 45.196 . . . . . . . . . . . . . 17032 1 94 2 4.301 . . . . . . . . . . . . . 17032 1 94 3 4.301 . . . . . . . . . . . . . 17032 1 95 1 45.197 . . . . . . . . . . . . . 17032 1 95 2 3.604 . . . . . . . . . . . . . 17032 1 95 3 4.303 . . . . . . . . . . . . . 17032 1 96 1 44.981 . . . . . . . . . . . . . 17032 1 96 2 9.105 . . . . . . . . . . . . . 17032 1 96 3 4.395 . . . . . . . . . . . . . 17032 1 97 1 52.743 . . . . . . . . . . . . . 17032 1 97 2 7.86 . . . . . . . . . . . . . 17032 1 97 3 4.622 . . . . . . . . . . . . . 17032 1 98 1 52.726 . . . . . . . . . . . . . 17032 1 98 2 4.622 . . . . . . . . . . . . . 17032 1 98 3 4.621 . . . . . . . . . . . . . 17032 1 99 1 52.698 . . . . . . . . . . . . . 17032 1 99 2 3.226 . . . . . . . . . . . . . 17032 1 99 3 4.621 . . . . . . . . . . . . . 17032 1 100 1 52.746 . . . . . . . . . . . . . 17032 1 100 2 2.85 . . . . . . . . . . . . . 17032 1 100 3 4.622 . . . . . . . . . . . . . 17032 1 101 1 37.382 . . . . . . . . . . . . . 17032 1 101 2 4.62 . . . . . . . . . . . . . 17032 1 101 3 2.845 . . . . . . . . . . . . . 17032 1 102 1 37.373 . . . . . . . . . . . . . 17032 1 102 2 3.228 . . . . . . . . . . . . . 17032 1 102 3 2.844 . . . . . . . . . . . . . 17032 1 103 1 37.372 . . . . . . . . . . . . . 17032 1 103 2 2.844 . . . . . . . . . . . . . 17032 1 103 3 2.845 . . . . . . . . . . . . . 17032 1 104 1 37.225 . . . . . . . . . . . . . 17032 1 104 2 8.931 . . . . . . . . . . . . . 17032 1 104 3 2.919 . . . . . . . . . . . . . 17032 1 105 1 37.207 . . . . . . . . . . . . . 17032 1 105 2 7.88 . . . . . . . . . . . . . 17032 1 105 3 2.928 . . . . . . . . . . . . . 17032 1 106 1 37.225 . . . . . . . . . . . . . 17032 1 106 2 7.113 . . . . . . . . . . . . . 17032 1 106 3 2.917 . . . . . . . . . . . . . 17032 1 107 1 37.221 . . . . . . . . . . . . . 17032 1 107 2 4.672 . . . . . . . . . . . . . 17032 1 107 3 2.917 . . . . . . . . . . . . . 17032 1 108 1 37.189 . . . . . . . . . . . . . 17032 1 108 2 3.976 . . . . . . . . . . . . . 17032 1 108 3 2.917 . . . . . . . . . . . . . 17032 1 109 1 37.209 . . . . . . . . . . . . . 17032 1 109 2 3.168 . . . . . . . . . . . . . 17032 1 109 3 2.917 . . . . . . . . . . . . . 17032 1 110 1 37.221 . . . . . . . . . . . . . 17032 1 110 2 2.913 . . . . . . . . . . . . . 17032 1 110 3 2.917 . . . . . . . . . . . . . 17032 1 111 1 37.363 . . . . . . . . . . . . . 17032 1 111 2 4.623 . . . . . . . . . . . . . 17032 1 111 3 3.228 . . . . . . . . . . . . . 17032 1 112 1 37.364 . . . . . . . . . . . . . 17032 1 112 2 3.225 . . . . . . . . . . . . . 17032 1 112 3 3.228 . . . . . . . . . . . . . 17032 1 113 1 37.371 . . . . . . . . . . . . . 17032 1 113 2 2.845 . . . . . . . . . . . . . 17032 1 113 3 3.229 . . . . . . . . . . . . . 17032 1 114 1 37.197 . . . . . . . . . . . . . 17032 1 114 2 8.93 . . . . . . . . . . . . . 17032 1 114 3 3.168 . . . . . . . . . . . . . 17032 1 115 1 37.247 . . . . . . . . . . . . . 17032 1 115 2 7.868 . . . . . . . . . . . . . 17032 1 115 3 3.172 . . . . . . . . . . . . . 17032 1 116 1 37.252 . . . . . . . . . . . . . 17032 1 116 2 7.132 . . . . . . . . . . . . . 17032 1 116 3 3.168 . . . . . . . . . . . . . 17032 1 117 1 37.229 . . . . . . . . . . . . . 17032 1 117 2 4.666 . . . . . . . . . . . . . 17032 1 117 3 3.167 . . . . . . . . . . . . . 17032 1 118 1 37.225 . . . . . . . . . . . . . 17032 1 118 2 3.983 . . . . . . . . . . . . . 17032 1 118 3 3.168 . . . . . . . . . . . . . 17032 1 119 1 37.231 . . . . . . . . . . . . . 17032 1 119 2 3.167 . . . . . . . . . . . . . 17032 1 119 3 3.168 . . . . . . . . . . . . . 17032 1 120 1 37.227 . . . . . . . . . . . . . 17032 1 120 2 2.914 . . . . . . . . . . . . . 17032 1 120 3 3.168 . . . . . . . . . . . . . 17032 1 121 1 50.994 . . . . . . . . . . . . . 17032 1 121 2 7.87 . . . . . . . . . . . . . 17032 1 121 3 3.984 . . . . . . . . . . . . . 17032 1 122 1 50.907 . . . . . . . . . . . . . 17032 1 122 2 7.134 . . . . . . . . . . . . . 17032 1 122 3 3.981 . . . . . . . . . . . . . 17032 1 123 1 50.992 . . . . . . . . . . . . . 17032 1 123 2 4.667 . . . . . . . . . . . . . 17032 1 123 3 3.982 . . . . . . . . . . . . . 17032 1 124 1 50.927 . . . . . . . . . . . . . 17032 1 124 2 4.662 . . . . . . . . . . . . . 17032 1 124 3 3.898 . . . . . . . . . . . . . 17032 1 125 1 50.964 . . . . . . . . . . . . . 17032 1 125 2 3.983 . . . . . . . . . . . . . 17032 1 125 3 3.896 . . . . . . . . . . . . . 17032 1 126 1 50.902 . . . . . . . . . . . . . 17032 1 126 2 3.451 . . . . . . . . . . . . . 17032 1 126 3 3.983 . . . . . . . . . . . . . 17032 1 127 1 50.989 . . . . . . . . . . . . . 17032 1 127 2 3.172 . . . . . . . . . . . . . 17032 1 127 3 3.982 . . . . . . . . . . . . . 17032 1 128 1 51.025 . . . . . . . . . . . . . 17032 1 128 2 2.904 . . . . . . . . . . . . . 17032 1 128 3 3.984 . . . . . . . . . . . . . 17032 1 129 1 50.977 . . . . . . . . . . . . . 17032 1 129 2 2.419 . . . . . . . . . . . . . 17032 1 129 3 3.978 . . . . . . . . . . . . . 17032 1 130 1 50.999 . . . . . . . . . . . . . 17032 1 130 2 2.145 . . . . . . . . . . . . . 17032 1 130 3 3.982 . . . . . . . . . . . . . 17032 1 131 1 50.817 . . . . . . . . . . . . . 17032 1 131 2 3.804 . . . . . . . . . . . . . 17032 1 131 3 4.06 . . . . . . . . . . . . . 17032 1 132 1 27.959 . . . . . . . . . . . . . 17032 1 132 2 4.372 . . . . . . . . . . . . . 17032 1 132 3 2.18 . . . . . . . . . . . . . 17032 1 133 1 27.841 . . . . . . . . . . . . . 17032 1 133 2 3.984 . . . . . . . . . . . . . 17032 1 133 3 2.182 . . . . . . . . . . . . . 17032 1 134 1 27.841 . . . . . . . . . . . . . 17032 1 134 2 3.982 . . . . . . . . . . . . . 17032 1 134 3 2.08 . . . . . . . . . . . . . 17032 1 135 1 27.841 . . . . . . . . . . . . . 17032 1 135 2 2.381 . . . . . . . . . . . . . 17032 1 135 3 2.182 . . . . . . . . . . . . . 17032 1 136 1 27.841 . . . . . . . . . . . . . 17032 1 136 2 2.388 . . . . . . . . . . . . . 17032 1 136 3 2.08 . . . . . . . . . . . . . 17032 1 137 1 27.929 . . . . . . . . . . . . . 17032 1 137 2 2.306 . . . . . . . . . . . . . 17032 1 137 3 2.178 . . . . . . . . . . . . . 17032 1 138 1 27.841 . . . . . . . . . . . . . 17032 1 138 2 2.173 . . . . . . . . . . . . . 17032 1 138 3 2.182 . . . . . . . . . . . . . 17032 1 139 1 27.841 . . . . . . . . . . . . . 17032 1 139 2 2.088 . . . . . . . . . . . . . 17032 1 139 3 2.081 . . . . . . . . . . . . . 17032 1 140 1 27.841 . . . . . . . . . . . . . 17032 1 140 2 1.789 . . . . . . . . . . . . . 17032 1 140 3 2.182 . . . . . . . . . . . . . 17032 1 141 1 31.92 . . . . . . . . . . . . . 17032 1 141 2 4.368 . . . . . . . . . . . . . 17032 1 141 3 2.42 . . . . . . . . . . . . . 17032 1 142 1 31.9 . . . . . . . . . . . . . 17032 1 142 2 3.978 . . . . . . . . . . . . . 17032 1 142 3 2.421 . . . . . . . . . . . . . 17032 1 143 1 31.838 . . . . . . . . . . . . . 17032 1 143 2 2.655 . . . . . . . . . . . . . 17032 1 143 3 2.42 . . . . . . . . . . . . . 17032 1 144 1 31.962 . . . . . . . . . . . . . 17032 1 144 2 2.593 . . . . . . . . . . . . . 17032 1 144 3 2.419 . . . . . . . . . . . . . 17032 1 145 1 31.923 . . . . . . . . . . . . . 17032 1 145 2 2.539 . . . . . . . . . . . . . 17032 1 145 3 2.417 . . . . . . . . . . . . . 17032 1 146 1 31.929 . . . . . . . . . . . . . 17032 1 146 2 2.418 . . . . . . . . . . . . . 17032 1 146 3 2.42 . . . . . . . . . . . . . 17032 1 147 1 31.895 . . . . . . . . . . . . . 17032 1 147 2 2.301 . . . . . . . . . . . . . 17032 1 147 3 2.424 . . . . . . . . . . . . . 17032 1 148 1 31.93 . . . . . . . . . . . . . 17032 1 148 2 2.237 . . . . . . . . . . . . . 17032 1 148 3 2.419 . . . . . . . . . . . . . 17032 1 149 1 31.918 . . . . . . . . . . . . . 17032 1 149 2 2.127 . . . . . . . . . . . . . 17032 1 149 3 2.42 . . . . . . . . . . . . . 17032 1 150 1 31.923 . . . . . . . . . . . . . 17032 1 150 2 1.969 . . . . . . . . . . . . . 17032 1 150 3 2.42 . . . . . . . . . . . . . 17032 1 151 1 31.718 . . . . . . . . . . . . . 17032 1 151 2 1.788 . . . . . . . . . . . . . 17032 1 151 3 2.419 . . . . . . . . . . . . . 17032 1 152 1 31.94 . . . . . . . . . . . . . 17032 1 152 2 4.372 . . . . . . . . . . . . . 17032 1 152 3 1.969 . . . . . . . . . . . . . 17032 1 153 1 31.921 . . . . . . . . . . . . . 17032 1 153 2 3.986 . . . . . . . . . . . . . 17032 1 153 3 1.967 . . . . . . . . . . . . . 17032 1 154 1 31.931 . . . . . . . . . . . . . 17032 1 154 2 2.416 . . . . . . . . . . . . . 17032 1 154 3 1.965 . . . . . . . . . . . . . 17032 1 155 1 31.91 . . . . . . . . . . . . . 17032 1 155 2 2.134 . . . . . . . . . . . . . 17032 1 155 3 1.967 . . . . . . . . . . . . . 17032 1 156 1 31.887 . . . . . . . . . . . . . 17032 1 156 2 1.965 . . . . . . . . . . . . . 17032 1 156 3 1.968 . . . . . . . . . . . . . 17032 1 157 1 65.917 . . . . . . . . . . . . . 17032 1 157 2 1.719 . . . . . . . . . . . . . 17032 1 157 3 4.357 . . . . . . . . . . . . . 17032 1 158 1 65.535 . . . . . . . . . . . . . 17032 1 158 2 4.369 . . . . . . . . . . . . . 17032 1 158 3 4.37 . . . . . . . . . . . . . 17032 1 159 1 65.558 . . . . . . . . . . . . . 17032 1 159 2 2.415 . . . . . . . . . . . . . 17032 1 159 3 4.369 . . . . . . . . . . . . . 17032 1 160 1 65.321 . . . . . . . . . . . . . 17032 1 160 2 4.887 . . . . . . . . . . . . . 17032 1 160 3 4.366 . . . . . . . . . . . . . 17032 1 161 1 65.299 . . . . . . . . . . . . . 17032 1 161 2 4.852 . . . . . . . . . . . . . 17032 1 161 3 4.454 . . . . . . . . . . . . . 17032 1 162 1 65.302 . . . . . . . . . . . . . 17032 1 162 2 4.85 . . . . . . . . . . . . . 17032 1 162 3 4.301 . . . . . . . . . . . . . 17032 1 163 1 57.821 . . . . . . . . . . . . . 17032 1 163 2 4.635 . . . . . . . . . . . . . 17032 1 163 3 4.588 . . . . . . . . . . . . . 17032 1 164 1 57.676 . . . . . . . . . . . . . 17032 1 164 2 4.672 . . . . . . . . . . . . . 17032 1 164 3 4.663 . . . . . . . . . . . . . 17032 1 165 1 57.665 . . . . . . . . . . . . . 17032 1 165 2 3.981 . . . . . . . . . . . . . 17032 1 165 3 4.662 . . . . . . . . . . . . . 17032 1 166 1 59.512 . . . . . . . . . . . . . 17032 1 166 2 4.375 . . . . . . . . . . . . . 17032 1 166 3 4.375 . . . . . . . . . . . . . 17032 1 167 1 59.536 . . . . . . . . . . . . . 17032 1 167 2 3.104 . . . . . . . . . . . . . 17032 1 167 3 4.375 . . . . . . . . . . . . . 17032 1 168 1 59.524 . . . . . . . . . . . . . 17032 1 168 2 2.817 . . . . . . . . . . . . . 17032 1 168 3 4.375 . . . . . . . . . . . . . 17032 1 169 1 40.078 . . . . . . . . . . . . . 17032 1 169 2 2.792 . . . . . . . . . . . . . 17032 1 169 3 2.733 . . . . . . . . . . . . . 17032 1 170 1 39.725 . . . . . . . . . . . . . 17032 1 170 2 7.931 . . . . . . . . . . . . . 17032 1 170 3 2.812 . . . . . . . . . . . . . 17032 1 171 1 39.8 . . . . . . . . . . . . . 17032 1 171 2 7.099 . . . . . . . . . . . . . 17032 1 171 3 2.815 . . . . . . . . . . . . . 17032 1 172 1 39.735 . . . . . . . . . . . . . 17032 1 172 2 3.103 . . . . . . . . . . . . . 17032 1 172 3 2.813 . . . . . . . . . . . . . 17032 1 173 1 39.831 . . . . . . . . . . . . . 17032 1 173 2 7.105 . . . . . . . . . . . . . 17032 1 173 3 3.092 . . . . . . . . . . . . . 17032 1 174 1 39.727 . . . . . . . . . . . . . 17032 1 174 2 4.367 . . . . . . . . . . . . . 17032 1 174 3 3.103 . . . . . . . . . . . . . 17032 1 175 1 39.733 . . . . . . . . . . . . . 17032 1 175 2 3.281 . . . . . . . . . . . . . 17032 1 175 3 3.101 . . . . . . . . . . . . . 17032 1 176 1 39.727 . . . . . . . . . . . . . 17032 1 176 2 3.1 . . . . . . . . . . . . . 17032 1 176 3 3.103 . . . . . . . . . . . . . 17032 1 177 1 39.722 . . . . . . . . . . . . . 17032 1 177 2 2.812 . . . . . . . . . . . . . 17032 1 177 3 3.103 . . . . . . . . . . . . . 17032 1 178 1 61.418 . . . . . . . . . . . . . 17032 1 178 2 8.931 . . . . . . . . . . . . . 17032 1 178 3 4.404 . . . . . . . . . . . . . 17032 1 179 1 61.402 . . . . . . . . . . . . . 17032 1 179 2 4.406 . . . . . . . . . . . . . 17032 1 179 3 4.406 . . . . . . . . . . . . . 17032 1 180 1 61.438 . . . . . . . . . . . . . 17032 1 180 2 1.856 . . . . . . . . . . . . . 17032 1 180 3 4.403 . . . . . . . . . . . . . 17032 1 181 1 61.423 . . . . . . . . . . . . . 17032 1 181 2 0.878 . . . . . . . . . . . . . 17032 1 181 3 4.403 . . . . . . . . . . . . . 17032 1 182 1 32.931 . . . . . . . . . . . . . 17032 1 182 2 8.174 . . . . . . . . . . . . . 17032 1 182 3 1.856 . . . . . . . . . . . . . 17032 1 183 1 32.888 . . . . . . . . . . . . . 17032 1 183 2 1.857 . . . . . . . . . . . . . 17032 1 183 3 1.86 . . . . . . . . . . . . . 17032 1 184 1 32.88 . . . . . . . . . . . . . 17032 1 184 2 0.878 . . . . . . . . . . . . . 17032 1 184 3 1.858 . . . . . . . . . . . . . 17032 1 185 1 21.165 . . . . . . . . . . . . . 17032 1 185 2 9.055 . . . . . . . . . . . . . 17032 1 185 3 0.89 . . . . . . . . . . . . . 17032 1 186 1 21.067 . . . . . . . . . . . . . 17032 1 186 2 9.152 . . . . . . . . . . . . . 17032 1 186 3 0.876 . . . . . . . . . . . . . 17032 1 187 1 20.995 . . . . . . . . . . . . . 17032 1 187 2 9.092 . . . . . . . . . . . . . 17032 1 187 3 0.871 . . . . . . . . . . . . . 17032 1 188 1 21.03 . . . . . . . . . . . . . 17032 1 188 2 9.035 . . . . . . . . . . . . . 17032 1 188 3 0.875 . . . . . . . . . . . . . 17032 1 189 1 21.133 . . . . . . . . . . . . . 17032 1 189 2 8.975 . . . . . . . . . . . . . 17032 1 189 3 0.874 . . . . . . . . . . . . . 17032 1 190 1 20.991 . . . . . . . . . . . . . 17032 1 190 2 8.934 . . . . . . . . . . . . . 17032 1 190 3 0.889 . . . . . . . . . . . . . 17032 1 191 1 21.066 . . . . . . . . . . . . . 17032 1 191 2 8.861 . . . . . . . . . . . . . 17032 1 191 3 0.879 . . . . . . . . . . . . . 17032 1 192 1 21.03 . . . . . . . . . . . . . 17032 1 192 2 8.743 . . . . . . . . . . . . . 17032 1 192 3 0.888 . . . . . . . . . . . . . 17032 1 193 1 21.097 . . . . . . . . . . . . . 17032 1 193 2 8.446 . . . . . . . . . . . . . 17032 1 193 3 0.887 . . . . . . . . . . . . . 17032 1 194 1 21.025 . . . . . . . . . . . . . 17032 1 194 2 4.408 . . . . . . . . . . . . . 17032 1 194 3 0.88 . . . . . . . . . . . . . 17032 1 195 1 21.034 . . . . . . . . . . . . . 17032 1 195 2 1.861 . . . . . . . . . . . . . 17032 1 195 3 0.88 . . . . . . . . . . . . . 17032 1 196 1 21.023 . . . . . . . . . . . . . 17032 1 196 2 0.881 . . . . . . . . . . . . . 17032 1 196 3 0.88 . . . . . . . . . . . . . 17032 1 197 1 20.917 . . . . . . . . . . . . . 17032 1 197 2 8.566 . . . . . . . . . . . . . 17032 1 197 3 0.888 . . . . . . . . . . . . . 17032 1 198 1 56.167 . . . . . . . . . . . . . 17032 1 198 2 8.561 . . . . . . . . . . . . . 17032 1 198 3 4.187 . . . . . . . . . . . . . 17032 1 199 1 56.163 . . . . . . . . . . . . . 17032 1 199 2 8.176 . . . . . . . . . . . . . 17032 1 199 3 4.185 . . . . . . . . . . . . . 17032 1 200 1 56.152 . . . . . . . . . . . . . 17032 1 200 2 1.519 . . . . . . . . . . . . . 17032 1 200 3 4.185 . . . . . . . . . . . . . 17032 1 201 1 56.138 . . . . . . . . . . . . . 17032 1 201 2 1.119 . . . . . . . . . . . . . 17032 1 201 3 4.188 . . . . . . . . . . . . . 17032 1 202 1 56.12 . . . . . . . . . . . . . 17032 1 202 2 0.908 . . . . . . . . . . . . . 17032 1 202 3 4.187 . . . . . . . . . . . . . 17032 1 203 1 34.107 . . . . . . . . . . . . . 17032 1 203 2 0.926 . . . . . . . . . . . . . 17032 1 203 3 1.526 . . . . . . . . . . . . . 17032 1 204 1 34.042 . . . . . . . . . . . . . 17032 1 204 2 8.561 . . . . . . . . . . . . . 17032 1 204 3 1.522 . . . . . . . . . . . . . 17032 1 205 1 34.041 . . . . . . . . . . . . . 17032 1 205 2 4.188 . . . . . . . . . . . . . 17032 1 205 3 1.517 . . . . . . . . . . . . . 17032 1 206 1 34.038 . . . . . . . . . . . . . 17032 1 206 2 1.522 . . . . . . . . . . . . . 17032 1 206 3 1.524 . . . . . . . . . . . . . 17032 1 207 1 25.412 . . . . . . . . . . . . . 17032 1 207 2 1.243 . . . . . . . . . . . . . 17032 1 207 3 0.887 . . . . . . . . . . . . . 17032 1 208 1 25.399 . . . . . . . . . . . . . 17032 1 208 2 0.518 . . . . . . . . . . . . . 17032 1 208 3 0.883 . . . . . . . . . . . . . 17032 1 209 1 25.28 . . . . . . . . . . . . . 17032 1 209 2 9.025 . . . . . . . . . . . . . 17032 1 209 3 0.881 . . . . . . . . . . . . . 17032 1 210 1 25.255 . . . . . . . . . . . . . 17032 1 210 2 8.892 . . . . . . . . . . . . . 17032 1 210 3 0.89 . . . . . . . . . . . . . 17032 1 211 1 25.266 . . . . . . . . . . . . . 17032 1 211 2 8.481 . . . . . . . . . . . . . 17032 1 211 3 0.884 . . . . . . . . . . . . . 17032 1 212 1 25.254 . . . . . . . . . . . . . 17032 1 212 2 2.022 . . . . . . . . . . . . . 17032 1 212 3 0.88 . . . . . . . . . . . . . 17032 1 213 1 25.269 . . . . . . . . . . . . . 17032 1 213 2 1.788 . . . . . . . . . . . . . 17032 1 213 3 0.887 . . . . . . . . . . . . . 17032 1 214 1 25.29 . . . . . . . . . . . . . 17032 1 214 2 0.848 . . . . . . . . . . . . . 17032 1 214 3 0.836 . . . . . . . . . . . . . 17032 1 215 1 25.17 . . . . . . . . . . . . . 17032 1 215 2 8.731 . . . . . . . . . . . . . 17032 1 215 3 0.882 . . . . . . . . . . . . . 17032 1 216 1 24.89 . . . . . . . . . . . . . 17032 1 216 2 1.5 . . . . . . . . . . . . . 17032 1 216 3 0.94 . . . . . . . . . . . . . 17032 1 217 1 24.91 . . . . . . . . . . . . . 17032 1 217 2 1.121 . . . . . . . . . . . . . 17032 1 217 3 0.939 . . . . . . . . . . . . . 17032 1 218 1 24.907 . . . . . . . . . . . . . 17032 1 218 2 0.94 . . . . . . . . . . . . . 17032 1 218 3 0.943 . . . . . . . . . . . . . 17032 1 219 1 24.78 . . . . . . . . . . . . . 17032 1 219 2 1.38 . . . . . . . . . . . . . 17032 1 219 3 0.964 . . . . . . . . . . . . . 17032 1 220 1 24.903 . . . . . . . . . . . . . 17032 1 220 2 1.122 . . . . . . . . . . . . . 17032 1 220 3 1.125 . . . . . . . . . . . . . 17032 1 221 1 24.906 . . . . . . . . . . . . . 17032 1 221 2 0.941 . . . . . . . . . . . . . 17032 1 221 3 1.124 . . . . . . . . . . . . . 17032 1 222 1 29.38 . . . . . . . . . . . . . 17032 1 222 2 1.472 . . . . . . . . . . . . . 17032 1 222 3 1.474 . . . . . . . . . . . . . 17032 1 223 1 29.248 . . . . . . . . . . . . . 17032 1 223 2 1.645 . . . . . . . . . . . . . 17032 1 223 3 1.396 . . . . . . . . . . . . . 17032 1 224 1 31.646 . . . . . . . . . . . . . 17032 1 224 2 4.514 . . . . . . . . . . . . . 17032 1 224 3 1.556 . . . . . . . . . . . . . 17032 1 225 1 31.568 . . . . . . . . . . . . . 17032 1 225 2 8.354 . . . . . . . . . . . . . 17032 1 225 3 1.565 . . . . . . . . . . . . . 17032 1 226 1 31.589 . . . . . . . . . . . . . 17032 1 226 2 3.062 . . . . . . . . . . . . . 17032 1 226 3 1.569 . . . . . . . . . . . . . 17032 1 227 1 31.567 . . . . . . . . . . . . . 17032 1 227 2 1.79 . . . . . . . . . . . . . 17032 1 227 3 1.564 . . . . . . . . . . . . . 17032 1 228 1 31.517 . . . . . . . . . . . . . 17032 1 228 2 1.791 . . . . . . . . . . . . . 17032 1 228 3 1.456 . . . . . . . . . . . . . 17032 1 229 1 31.569 . . . . . . . . . . . . . 17032 1 229 2 1.558 . . . . . . . . . . . . . 17032 1 229 3 1.562 . . . . . . . . . . . . . 17032 1 230 1 31.563 . . . . . . . . . . . . . 17032 1 230 2 1.547 . . . . . . . . . . . . . 17032 1 230 3 1.459 . . . . . . . . . . . . . 17032 1 231 1 31.567 . . . . . . . . . . . . . 17032 1 231 2 0.899 . . . . . . . . . . . . . 17032 1 231 3 1.564 . . . . . . . . . . . . . 17032 1 232 1 27.46 . . . . . . . . . . . . . 17032 1 232 2 8.348 . . . . . . . . . . . . . 17032 1 232 3 1.564 . . . . . . . . . . . . . 17032 1 233 1 27.492 . . . . . . . . . . . . . 17032 1 233 2 1.745 . . . . . . . . . . . . . 17032 1 233 3 1.571 . . . . . . . . . . . . . 17032 1 234 1 27.577 . . . . . . . . . . . . . 17032 1 234 2 1.561 . . . . . . . . . . . . . 17032 1 234 3 1.381 . . . . . . . . . . . . . 17032 1 235 1 27.339 . . . . . . . . . . . . . 17032 1 235 2 1.782 . . . . . . . . . . . . . 17032 1 235 3 1.457 . . . . . . . . . . . . . 17032 1 236 1 27.37 . . . . . . . . . . . . . 17032 1 236 2 1.466 . . . . . . . . . . . . . 17032 1 236 3 1.46 . . . . . . . . . . . . . 17032 1 237 1 27.394 . . . . . . . . . . . . . 17032 1 237 2 1.162 . . . . . . . . . . . . . 17032 1 237 3 1.448 . . . . . . . . . . . . . 17032 1 238 1 27.68 . . . . . . . . . . . . . 17032 1 238 2 1.103 . . . . . . . . . . . . . 17032 1 238 3 1.576 . . . . . . . . . . . . . 17032 1 239 1 27.501 . . . . . . . . . . . . . 17032 1 239 2 1.57 . . . . . . . . . . . . . 17032 1 239 3 1.573 . . . . . . . . . . . . . 17032 1 240 1 27.564 . . . . . . . . . . . . . 17032 1 240 2 0.849 . . . . . . . . . . . . . 17032 1 240 3 1.573 . . . . . . . . . . . . . 17032 1 241 1 27.386 . . . . . . . . . . . . . 17032 1 241 2 3.065 . . . . . . . . . . . . . 17032 1 241 3 1.572 . . . . . . . . . . . . . 17032 1 242 1 56.406 . . . . . . . . . . . . . 17032 1 242 2 4.747 . . . . . . . . . . . . . 17032 1 242 3 4.456 . . . . . . . . . . . . . 17032 1 243 1 56.137 . . . . . . . . . . . . . 17032 1 243 2 1.724 . . . . . . . . . . . . . 17032 1 243 3 4.358 . . . . . . . . . . . . . 17032 1 244 1 55.998 . . . . . . . . . . . . . 17032 1 244 2 8.718 . . . . . . . . . . . . . 17032 1 244 3 4.359 . . . . . . . . . . . . . 17032 1 245 1 55.924 . . . . . . . . . . . . . 17032 1 245 2 8.363 . . . . . . . . . . . . . 17032 1 245 3 4.415 . . . . . . . . . . . . . 17032 1 246 1 56.029 . . . . . . . . . . . . . 17032 1 246 2 8.338 . . . . . . . . . . . . . 17032 1 246 3 4.358 . . . . . . . . . . . . . 17032 1 247 1 55.887 . . . . . . . . . . . . . 17032 1 247 2 4.409 . . . . . . . . . . . . . 17032 1 247 3 4.413 . . . . . . . . . . . . . 17032 1 248 1 56.039 . . . . . . . . . . . . . 17032 1 248 2 4.358 . . . . . . . . . . . . . 17032 1 248 3 4.359 . . . . . . . . . . . . . 17032 1 249 1 55.994 . . . . . . . . . . . . . 17032 1 249 2 1.379 . . . . . . . . . . . . . 17032 1 249 3 4.358 . . . . . . . . . . . . . 17032 1 250 1 24.922 . . . . . . . . . . . . . 17032 1 250 2 1.125 . . . . . . . . . . . . . 17032 1 250 3 1.467 . . . . . . . . . . . . . 17032 1 251 1 24.852 . . . . . . . . . . . . . 17032 1 251 2 1.667 . . . . . . . . . . . . . 17032 1 251 3 1.354 . . . . . . . . . . . . . 17032 1 252 1 24.837 . . . . . . . . . . . . . 17032 1 252 2 1.66 . . . . . . . . . . . . . 17032 1 252 3 1.396 . . . . . . . . . . . . . 17032 1 253 1 24.835 . . . . . . . . . . . . . 17032 1 253 2 1.368 . . . . . . . . . . . . . 17032 1 253 3 1.393 . . . . . . . . . . . . . 17032 1 254 1 24.819 . . . . . . . . . . . . . 17032 1 254 2 1.375 . . . . . . . . . . . . . 17032 1 254 3 1.358 . . . . . . . . . . . . . 17032 1 255 1 44.206 . . . . . . . . . . . . . 17032 1 255 2 3.633 . . . . . . . . . . . . . 17032 1 255 3 2.955 . . . . . . . . . . . . . 17032 1 256 1 44.215 . . . . . . . . . . . . . 17032 1 256 2 3.381 . . . . . . . . . . . . . 17032 1 256 3 3.036 . . . . . . . . . . . . . 17032 1 257 1 44.165 . . . . . . . . . . . . . 17032 1 257 2 3.252 . . . . . . . . . . . . . 17032 1 257 3 3.041 . . . . . . . . . . . . . 17032 1 258 1 44.2 . . . . . . . . . . . . . 17032 1 258 2 3.042 . . . . . . . . . . . . . 17032 1 258 3 3.04 . . . . . . . . . . . . . 17032 1 259 1 43.686 . . . . . . . . . . . . . 17032 1 259 2 3.193 . . . . . . . . . . . . . 17032 1 259 3 2.958 . . . . . . . . . . . . . 17032 1 260 1 43.656 . . . . . . . . . . . . . 17032 1 260 2 2.956 . . . . . . . . . . . . . 17032 1 260 3 2.958 . . . . . . . . . . . . . 17032 1 261 1 43.556 . . . . . . . . . . . . . 17032 1 261 2 8.719 . . . . . . . . . . . . . 17032 1 261 3 2.958 . . . . . . . . . . . . . 17032 1 262 1 44.217 . . . . . . . . . . . . . 17032 1 262 2 3.378 . . . . . . . . . . . . . 17032 1 262 3 3.253 . . . . . . . . . . . . . 17032 1 263 1 44.168 . . . . . . . . . . . . . 17032 1 263 2 3.254 . . . . . . . . . . . . . 17032 1 263 3 3.255 . . . . . . . . . . . . . 17032 1 264 1 44.194 . . . . . . . . . . . . . 17032 1 264 2 3.043 . . . . . . . . . . . . . 17032 1 264 3 3.257 . . . . . . . . . . . . . 17032 1 265 1 43.67 . . . . . . . . . . . . . 17032 1 265 2 8.723 . . . . . . . . . . . . . 17032 1 265 3 3.192 . . . . . . . . . . . . . 17032 1 266 1 43.699 . . . . . . . . . . . . . 17032 1 266 2 3.192 . . . . . . . . . . . . . 17032 1 266 3 3.194 . . . . . . . . . . . . . 17032 1 267 1 43.702 . . . . . . . . . . . . . 17032 1 267 2 2.957 . . . . . . . . . . . . . 17032 1 267 3 3.193 . . . . . . . . . . . . . 17032 1 268 1 53.689 . . . . . . . . . . . . . 17032 1 268 2 9.039 . . . . . . . . . . . . . 17032 1 268 3 4.38 . . . . . . . . . . . . . 17032 1 269 1 53.757 . . . . . . . . . . . . . 17032 1 269 2 3.214 . . . . . . . . . . . . . 17032 1 269 3 4.287 . . . . . . . . . . . . . 17032 1 270 1 53.324 . . . . . . . . . . . . . 17032 1 270 2 4.286 . . . . . . . . . . . . . 17032 1 270 3 4.287 . . . . . . . . . . . . . 17032 1 271 1 53.37 . . . . . . . . . . . . . 17032 1 271 2 2.776 . . . . . . . . . . . . . 17032 1 271 3 4.286 . . . . . . . . . . . . . 17032 1 272 1 27.841 . . . . . . . . . . . . . 17032 1 272 2 1.734 . . . . . . . . . . . . . 17032 1 272 3 1.105 . . . . . . . . . . . . . 17032 1 273 1 27.841 . . . . . . . . . . . . . 17032 1 273 2 1.574 . . . . . . . . . . . . . 17032 1 273 3 1.101 . . . . . . . . . . . . . 17032 1 274 1 27.841 . . . . . . . . . . . . . 17032 1 274 2 1.228 . . . . . . . . . . . . . 17032 1 274 3 1.104 . . . . . . . . . . . . . 17032 1 275 1 27.841 . . . . . . . . . . . . . 17032 1 275 2 1.103 . . . . . . . . . . . . . 17032 1 275 3 1.103 . . . . . . . . . . . . . 17032 1 276 1 27.841 . . . . . . . . . . . . . 17032 1 276 2 0.843 . . . . . . . . . . . . . 17032 1 276 3 1.101 . . . . . . . . . . . . . 17032 1 277 1 27.841 . . . . . . . . . . . . . 17032 1 277 2 1.281 . . . . . . . . . . . . . 17032 1 277 3 1.103 . . . . . . . . . . . . . 17032 1 278 1 13.989 . . . . . . . . . . . . . 17032 1 278 2 0.82 . . . . . . . . . . . . . 17032 1 278 3 0.791 . . . . . . . . . . . . . 17032 1 279 1 13.49 . . . . . . . . . . . . . 17032 1 279 2 0.835 . . . . . . . . . . . . . 17032 1 279 3 0.836 . . . . . . . . . . . . . 17032 1 280 1 29.267 . . . . . . . . . . . . . 17032 1 280 2 1.645 . . . . . . . . . . . . . 17032 1 280 3 1.646 . . . . . . . . . . . . . 17032 1 281 1 29.28 . . . . . . . . . . . . . 17032 1 281 2 1.361 . . . . . . . . . . . . . 17032 1 281 3 1.647 . . . . . . . . . . . . . 17032 1 282 1 21.596 . . . . . . . . . . . . . 17032 1 282 2 8.876 . . . . . . . . . . . . . 17032 1 282 3 0.835 . . . . . . . . . . . . . 17032 1 283 1 64.281 . . . . . . . . . . . . . 17032 1 283 2 8.35 . . . . . . . . . . . . . 17032 1 283 3 3.97 . . . . . . . . . . . . . 17032 1 284 1 64.305 . . . . . . . . . . . . . 17032 1 284 2 3.618 . . . . . . . . . . . . . 17032 1 284 3 3.969 . . . . . . . . . . . . . 17032 1 285 1 64.289 . . . . . . . . . . . . . 17032 1 285 2 3.265 . . . . . . . . . . . . . 17032 1 285 3 3.985 . . . . . . . . . . . . . 17032 1 286 1 64.239 . . . . . . . . . . . . . 17032 1 286 2 8.343 . . . . . . . . . . . . . 17032 1 286 3 3.908 . . . . . . . . . . . . . 17032 1 287 1 64.209 . . . . . . . . . . . . . 17032 1 287 2 7.903 . . . . . . . . . . . . . 17032 1 287 3 3.964 . . . . . . . . . . . . . 17032 1 288 1 64.246 . . . . . . . . . . . . . 17032 1 288 2 7.892 . . . . . . . . . . . . . 17032 1 288 3 3.909 . . . . . . . . . . . . . 17032 1 289 1 64.264 . . . . . . . . . . . . . 17032 1 289 2 4.714 . . . . . . . . . . . . . 17032 1 289 3 3.982 . . . . . . . . . . . . . 17032 1 290 1 64.253 . . . . . . . . . . . . . 17032 1 290 2 4.426 . . . . . . . . . . . . . 17032 1 290 3 3.965 . . . . . . . . . . . . . 17032 1 291 1 64.237 . . . . . . . . . . . . . 17032 1 291 2 4.423 . . . . . . . . . . . . . 17032 1 291 3 3.911 . . . . . . . . . . . . . 17032 1 292 1 64.25 . . . . . . . . . . . . . 17032 1 292 2 4.133 . . . . . . . . . . . . . 17032 1 292 3 3.908 . . . . . . . . . . . . . 17032 1 293 1 64.239 . . . . . . . . . . . . . 17032 1 293 2 3.941 . . . . . . . . . . . . . 17032 1 293 3 3.91 . . . . . . . . . . . . . 17032 1 294 1 64.257 . . . . . . . . . . . . . 17032 1 294 2 3.932 . . . . . . . . . . . . . 17032 1 294 3 3.966 . . . . . . . . . . . . . 17032 1 295 1 64.24 . . . . . . . . . . . . . 17032 1 295 2 3.834 . . . . . . . . . . . . . 17032 1 295 3 3.839 . . . . . . . . . . . . . 17032 1 296 1 64.241 . . . . . . . . . . . . . 17032 1 296 2 3.748 . . . . . . . . . . . . . 17032 1 296 3 3.969 . . . . . . . . . . . . . 17032 1 297 1 64.205 . . . . . . . . . . . . . 17032 1 297 2 3.753 . . . . . . . . . . . . . 17032 1 297 3 3.916 . . . . . . . . . . . . . 17032 1 298 1 64.248 . . . . . . . . . . . . . 17032 1 298 2 3.616 . . . . . . . . . . . . . 17032 1 298 3 3.91 . . . . . . . . . . . . . 17032 1 299 1 64.252 . . . . . . . . . . . . . 17032 1 299 2 2.917 . . . . . . . . . . . . . 17032 1 299 3 3.91 . . . . . . . . . . . . . 17032 1 300 1 64.111 . . . . . . . . . . . . . 17032 1 300 2 3.175 . . . . . . . . . . . . . 17032 1 300 3 3.907 . . . . . . . . . . . . . 17032 1 301 1 65.02 . . . . . . . . . . . . . 17032 1 301 2 8.653 . . . . . . . . . . . . . 17032 1 301 3 3.733 . . . . . . . . . . . . . 17032 1 302 1 64.953 . . . . . . . . . . . . . 17032 1 302 2 8.646 . . . . . . . . . . . . . 17032 1 302 3 3.663 . . . . . . . . . . . . . 17032 1 303 1 64.959 . . . . . . . . . . . . . 17032 1 303 2 8.442 . . . . . . . . . . . . . 17032 1 303 3 3.726 . . . . . . . . . . . . . 17032 1 304 1 64.941 . . . . . . . . . . . . . 17032 1 304 2 8.447 . . . . . . . . . . . . . 17032 1 304 3 3.662 . . . . . . . . . . . . . 17032 1 305 1 65.014 . . . . . . . . . . . . . 17032 1 305 2 3.507 . . . . . . . . . . . . . 17032 1 305 3 3.725 . . . . . . . . . . . . . 17032 1 306 1 65.086 . . . . . . . . . . . . . 17032 1 306 2 3.503 . . . . . . . . . . . . . 17032 1 306 3 3.673 . . . . . . . . . . . . . 17032 1 307 1 64.923 . . . . . . . . . . . . . 17032 1 307 2 4.472 . . . . . . . . . . . . . 17032 1 307 3 3.722 . . . . . . . . . . . . . 17032 1 308 1 64.911 . . . . . . . . . . . . . 17032 1 308 2 4.476 . . . . . . . . . . . . . 17032 1 308 3 3.662 . . . . . . . . . . . . . 17032 1 309 1 64.915 . . . . . . . . . . . . . 17032 1 309 2 3.691 . . . . . . . . . . . . . 17032 1 309 3 3.722 . . . . . . . . . . . . . 17032 1 310 1 64.912 . . . . . . . . . . . . . 17032 1 310 2 3.692 . . . . . . . . . . . . . 17032 1 310 3 3.663 . . . . . . . . . . . . . 17032 1 311 1 64.873 . . . . . . . . . . . . . 17032 1 311 2 3.682 . . . . . . . . . . . . . 17032 1 311 3 3.583 . . . . . . . . . . . . . 17032 1 312 1 64.81 . . . . . . . . . . . . . 17032 1 312 2 3.567 . . . . . . . . . . . . . 17032 1 312 3 3.626 . . . . . . . . . . . . . 17032 1 313 1 64.903 . . . . . . . . . . . . . 17032 1 313 2 3.371 . . . . . . . . . . . . . 17032 1 313 3 3.664 . . . . . . . . . . . . . 17032 1 314 1 64.91 . . . . . . . . . . . . . 17032 1 314 2 1.515 . . . . . . . . . . . . . 17032 1 314 3 3.724 . . . . . . . . . . . . . 17032 1 315 1 64.925 . . . . . . . . . . . . . 17032 1 315 2 1.513 . . . . . . . . . . . . . 17032 1 315 3 3.659 . . . . . . . . . . . . . 17032 1 316 1 43.281 . . . . . . . . . . . . . 17032 1 316 2 3.062 . . . . . . . . . . . . . 17032 1 316 3 3.087 . . . . . . . . . . . . . 17032 1 317 1 43.288 . . . . . . . . . . . . . 17032 1 317 2 1.795 . . . . . . . . . . . . . 17032 1 317 3 3.086 . . . . . . . . . . . . . 17032 1 318 1 43.287 . . . . . . . . . . . . . 17032 1 318 2 1.56 . . . . . . . . . . . . . 17032 1 318 3 3.086 . . . . . . . . . . . . . 17032 1 319 1 43.246 . . . . . . . . . . . . . 17032 1 319 2 3.069 . . . . . . . . . . . . . 17032 1 319 3 3.045 . . . . . . . . . . . . . 17032 1 320 1 43.24 . . . . . . . . . . . . . 17032 1 320 2 1.557 . . . . . . . . . . . . . 17032 1 320 3 3.048 . . . . . . . . . . . . . 17032 1 321 1 33.597 . . . . . . . . . . . . . 17032 1 321 2 1.717 . . . . . . . . . . . . . 17032 1 321 3 1.688 . . . . . . . . . . . . . 17032 1 322 1 33.645 . . . . . . . . . . . . . 17032 1 322 2 1.372 . . . . . . . . . . . . . 17032 1 322 3 1.687 . . . . . . . . . . . . . 17032 1 323 1 33.542 . . . . . . . . . . . . . 17032 1 323 2 4.351 . . . . . . . . . . . . . 17032 1 323 3 1.768 . . . . . . . . . . . . . 17032 1 324 1 33.563 . . . . . . . . . . . . . 17032 1 324 2 4.361 . . . . . . . . . . . . . 17032 1 324 3 1.684 . . . . . . . . . . . . . 17032 1 325 1 33.565 . . . . . . . . . . . . . 17032 1 325 2 1.722 . . . . . . . . . . . . . 17032 1 325 3 1.761 . . . . . . . . . . . . . 17032 1 326 1 33.517 . . . . . . . . . . . . . 17032 1 326 2 1.377 . . . . . . . . . . . . . 17032 1 326 3 1.768 . . . . . . . . . . . . . 17032 1 327 1 52.743 . . . . . . . . . . . . . 17032 1 327 2 8.619 . . . . . . . . . . . . . 17032 1 327 3 4.625 . . . . . . . . . . . . . 17032 1 328 1 54.775 . . . . . . . . . . . . . 17032 1 328 2 8.565 . . . . . . . . . . . . . 17032 1 328 3 4.686 . . . . . . . . . . . . . 17032 1 329 1 33.188 . . . . . . . . . . . . . 17032 1 329 2 1.997 . . . . . . . . . . . . . 17032 1 329 3 4.369 . . . . . . . . . . . . . 17032 1 330 1 34.026 . . . . . . . . . . . . . 17032 1 330 2 1.123 . . . . . . . . . . . . . 17032 1 330 3 1.522 . . . . . . . . . . . . . 17032 1 331 1 55.369 . . . . . . . . . . . . . 17032 1 331 2 4.522 . . . . . . . . . . . . . 17032 1 331 3 4.522 . . . . . . . . . . . . . 17032 1 332 1 43.687 . . . . . . . . . . . . . 17032 1 332 2 4.799 . . . . . . . . . . . . . 17032 1 332 3 3.196 . . . . . . . . . . . . . 17032 1 333 1 43.692 . . . . . . . . . . . . . 17032 1 333 2 4.797 . . . . . . . . . . . . . 17032 1 333 3 2.959 . . . . . . . . . . . . . 17032 1 334 1 41.315 . . . . . . . . . . . . . 17032 1 334 2 2.547 . . . . . . . . . . . . . 17032 1 334 3 2.544 . . . . . . . . . . . . . 17032 1 335 1 41.31 . . . . . . . . . . . . . 17032 1 335 2 2.549 . . . . . . . . . . . . . 17032 1 335 3 2.428 . . . . . . . . . . . . . 17032 1 336 1 41.306 . . . . . . . . . . . . . 17032 1 336 2 2.423 . . . . . . . . . . . . . 17032 1 336 3 2.547 . . . . . . . . . . . . . 17032 1 337 1 41.305 . . . . . . . . . . . . . 17032 1 337 2 2.428 . . . . . . . . . . . . . 17032 1 337 3 2.428 . . . . . . . . . . . . . 17032 1 338 1 42.262 . . . . . . . . . . . . . 17032 1 338 2 2.956 . . . . . . . . . . . . . 17032 1 338 3 2.959 . . . . . . . . . . . . . 17032 1 339 1 42.395 . . . . . . . . . . . . . 17032 1 339 2 4.688 . . . . . . . . . . . . . 17032 1 339 3 2.954 . . . . . . . . . . . . . 17032 1 340 1 42.294 . . . . . . . . . . . . . 17032 1 340 2 4.685 . . . . . . . . . . . . . 17032 1 340 3 2.749 . . . . . . . . . . . . . 17032 1 341 1 43.663 . . . . . . . . . . . . . 17032 1 341 2 3.185 . . . . . . . . . . . . . 17032 1 341 3 2.739 . . . . . . . . . . . . . 17032 1 342 1 43.717 . . . . . . . . . . . . . 17032 1 342 2 2.782 . . . . . . . . . . . . . 17032 1 342 3 3.198 . . . . . . . . . . . . . 17032 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 56.545 . . . . . . . . . . . 160 . . . . . . 1 . . 17032 1 1 2 . . . 8.556 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 1 1 3 . . . 4.247 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 1 2 1 . . . 56.556 . . . . . . . . . . . 160 . . . . . . 1 . . 17032 1 2 2 . . . 7.924 . . . . . . . . . . . 171 . . . . . . 1 . . 17032 1 2 3 . . . 4.245 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 1 6 1 . . . 56.463 . . . . . . . . . . . 160 . . . . . . 1 . . 17032 1 6 2 . . . 4.241 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 1 6 3 . . . 4.243 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 1 20 1 . . . 42.366 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 20 2 . . . 8.59 . . . . . . . . . . . 154 . . . . . . 1 . . 17032 1 20 3 . . . 2.955 . . . . . . . . . . . 157 . . . . . . 1 . . 17032 1 21 1 . . . 42.362 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 21 2 . . . 2.763 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 21 3 . . . 2.956 . . . . . . . . . . . 157 . . . . . . 1 . . 17032 1 27 1 . . . 42.347 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 27 2 . . . 8.614 . . . . . . . . . . . 154 . . . . . . 1 . . 17032 1 27 3 . . . 2.742 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 29 1 . . . 42.418 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 29 2 . . . 2.949 . . . . . . . . . . . 157 . . . . . . 1 . . 17032 1 29 3 . . . 2.744 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 32 1 . . . 56.562 . . . . . . . . . . . 144 . . . . . . 1 . . 17032 1 32 2 . . . 4.739 . . . . . . . . . . . 147 . . . . . . 1 . . 17032 1 32 3 . . . 4.743 . . . . . . . . . . . 147 . . . . . . 1 . . 17032 1 52 1 . . . 58.199 . . . . . . . . . . . 128 . . . . . . 1 . . 17032 1 52 2 . . . 8.447 . . . . . . . . . . . 138 . . . . . . 1 . . 17032 1 52 3 . . . 4.466 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 1 53 1 . . . 58.186 . . . . . . . . . . . 128 . . . . . . 1 . . 17032 1 53 2 . . . 4.467 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 1 53 3 . . . 4.466 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 1 79 1 . . . 58.963 . . . . . . . . . . . 106 . . . . . . 1 . . 17032 1 79 2 . . . 8.35 . . . . . . . . . . . 119 . . . . . . 1 . . 17032 1 79 3 . . . 4.425 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 80 1 . . . 58.966 . . . . . . . . . . . 106 . . . . . . 1 . . 17032 1 80 2 . . . 4.423 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 80 3 . . . 4.424 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 82 1 . . . 58.944 . . . . . . . . . . . 106 . . . . . . 1 . . 17032 1 82 2 . . . 7.898 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 1 82 3 . . . 4.424 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 85 1 . . . 45.222 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 85 2 . . . 8.569 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 1 85 3 . . . 3.601 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 86 1 . . . 45.2 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 86 2 . . . 7.892 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 1 86 3 . . . 3.604 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 87 1 . . . 45.195 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 87 2 . . . 4.301 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 87 3 . . . 3.598 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 88 1 . . . 45.192 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 88 2 . . . 3.603 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 88 3 . . . 3.601 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 91 1 . . . 45.219 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 91 2 . . . 8.566 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 1 91 3 . . . 4.304 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 93 1 . . . 45.2 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 93 2 . . . 7.894 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 1 93 3 . . . 4.311 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 94 1 . . . 45.196 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 94 2 . . . 4.301 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 94 3 . . . 4.301 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 95 1 . . . 45.197 . . . . . . . . . . . 100 . . . . . . 1 . . 17032 1 95 2 . . . 3.604 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 1 95 3 . . . 4.303 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 1 97 1 . . . 52.743 . . . . . . . . . . . 89 . . . . . . 1 . . 17032 1 97 2 . . . 7.86 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 1 97 3 . . . 4.622 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 1 98 1 . . . 52.726 . . . . . . . . . . . 89 . . . . . . 1 . . 17032 1 98 2 . . . 4.622 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 1 98 3 . . . 4.621 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 1 158 1 . . . 65.535 . . . . . . . . . . . 78 . . . . . . 1 . . 17032 1 158 2 . . . 4.369 . . . . . . . . . . . 82 . . . . . . 1 . . 17032 1 158 3 . . . 4.37 . . . . . . . . . . . 82 . . . . . . 1 . . 17032 1 164 1 . . . 57.676 . . . . . . . . . . . 70 . . . . . . 1 . . 17032 1 164 2 . . . 4.672 . . . . . . . . . . . 73 . . . . . . 1 . . 17032 1 164 3 . . . 4.663 . . . . . . . . . . . 73 . . . . . . 1 . . 17032 1 165 1 . . . 57.665 . . . . . . . . . . . 70 . . . . . . 1 . . 17032 1 165 2 . . . 3.981 . . . . . . . . . . . 87 . . . . . . 1 . . 17032 1 165 3 . . . 4.662 . . . . . . . . . . . 73 . . . . . . 1 . . 17032 1 178 1 . . . 61.418 . . . . . . . . . . . 60 . . . . . . 1 . . 17032 1 178 2 . . . 8.931 . . . . . . . . . . . 72 . . . . . . 1 . . 17032 1 178 3 . . . 4.404 . . . . . . . . . . . 65 . . . . . . 1 . . 17032 1 179 1 . . . 61.402 . . . . . . . . . . . 60 . . . . . . 1 . . 17032 1 179 2 . . . 4.406 . . . . . . . . . . . 65 . . . . . . 1 . . 17032 1 179 3 . . . 4.406 . . . . . . . . . . . 65 . . . . . . 1 . . 17032 1 199 1 . . . 56.163 . . . . . . . . . . . 44 . . . . . . 1 . . 17032 1 199 2 . . . 8.176 . . . . . . . . . . . 64 . . . . . . 1 . . 17032 1 199 3 . . . 4.185 . . . . . . . . . . . 50 . . . . . . 1 . . 17032 1 259 1 . . . 43.686 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 259 2 . . . 3.193 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 259 3 . . . 2.958 . . . . . . . . . . . 12 . . . . . . 1 . . 17032 1 261 1 . . . 43.556 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 261 2 . . . 8.719 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 1 261 3 . . . 2.958 . . . . . . . . . . . 12 . . . . . . 1 . . 17032 1 265 1 . . . 43.67 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 265 2 . . . 8.723 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 1 265 3 . . . 3.192 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 267 1 . . . 43.702 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 267 2 . . . 2.957 . . . . . . . . . . . 12 . . . . . . 1 . . 17032 1 267 3 . . . 3.193 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 270 1 . . . 53.324 . . . . . . . . . . . 2 . . . . . . 1 . . 17032 1 270 2 . . . 4.286 . . . . . . . . . . . 4 . . . . . . 1 . . 17032 1 270 3 . . . 4.287 . . . . . . . . . . . 4 . . . . . . 1 . . 17032 1 290 1 . . . 64.253 . . . . . . . . . . . 107 . . . . . . 1 . . 17032 1 290 2 . . . 4.426 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 290 3 . . . 3.965 . . . . . . . . . . . 111 . . . . . . 1 . . 17032 1 291 1 . . . 64.237 . . . . . . . . . . . 107 . . . . . . 1 . . 17032 1 291 2 . . . 4.423 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 1 291 3 . . . 3.911 . . . . . . . . . . . 110 . . . . . . 1 . . 17032 1 293 1 . . . 64.239 . . . . . . . . . . . 107 . . . . . . 1 . . 17032 1 293 2 . . . 3.941 . . . . . . . . . . . 111 . . . . . . 1 . . 17032 1 293 3 . . . 3.91 . . . . . . . . . . . 110 . . . . . . 1 . . 17032 1 294 1 . . . 64.257 . . . . . . . . . . . 107 . . . . . . 1 . . 17032 1 294 2 . . . 3.932 . . . . . . . . . . . 110 . . . . . . 1 . . 17032 1 294 3 . . . 3.966 . . . . . . . . . . . 111 . . . . . . 1 . . 17032 1 299 1 . . . 64.252 . . . . . . . . . . . 107 . . . . . . 1 . . 17032 1 299 2 . . . 2.917 . . . . . . . . . . . 74 . . . . . . 1 . . 17032 1 299 3 . . . 3.91 . . . . . . . . . . . 110 . . . . . . 1 . . 17032 1 308 1 . . . 64.911 . . . . . . . . . . . 129 . . . . . . 1 . . 17032 1 308 2 . . . 4.476 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 1 308 3 . . . 3.662 . . . . . . . . . . . 132 . . . . . . 1 . . 17032 1 310 1 . . . 64.912 . . . . . . . . . . . 129 . . . . . . 1 . . 17032 1 310 2 . . . 3.692 . . . . . . . . . . . 133 . . . . . . 1 . . 17032 1 310 3 . . . 3.663 . . . . . . . . . . . 132 . . . . . . 1 . . 17032 1 327 1 . . . 52.743 . . . . . . . . . . . 89 . . . . . . 1 . . 17032 1 327 2 . . . 8.619 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 1 327 3 . . . 4.625 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 1 331 1 . . . 55.369 . . . . . . . . . . . 30 . . . . . . 1 . . 17032 1 331 2 . . . 4.522 . . . . . . . . . . . 35 . . . . . . 1 . . 17032 1 331 3 . . . 4.522 . . . . . . . . . . . 35 . . . . . . 1 . . 17032 1 332 1 . . . 43.687 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 332 2 . . . 4.799 . . . . . . . . . . . 11 . . . . . . 1 . . 17032 1 332 3 . . . 3.196 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 333 1 . . . 43.692 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 333 2 . . . 4.797 . . . . . . . . . . . 11 . . . . . . 1 . . 17032 1 333 3 . . . 2.959 . . . . . . . . . . . 12 . . . . . . 1 . . 17032 1 339 1 . . . 42.395 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 339 2 . . . 4.688 . . . . . . . . . . . 155 . . . . . . 1 . . 17032 1 339 3 . . . 2.954 . . . . . . . . . . . 157 . . . . . . 1 . . 17032 1 340 1 . . . 42.294 . . . . . . . . . . . 153 . . . . . . 1 . . 17032 1 340 2 . . . 4.685 . . . . . . . . . . . 155 . . . . . . 1 . . 17032 1 340 3 . . . 2.749 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 341 1 . . . 43.663 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 341 2 . . . 3.185 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 341 3 . . . 2.739 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 342 1 . . . 43.717 . . . . . . . . . . . 9 . . . . . . 1 . . 17032 1 342 2 . . . 2.782 . . . . . . . . . . . 156 . . . . . . 1 . . 17032 1 342 3 . . . 3.198 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 1 stop_ save_ save_CKR-PNG-15Nnoesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode CKR-PNG-15Nnoesy _Spectral_peak_list.Entry_ID 17032 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $DL-CKR-PNG _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $CKR-PNG_conditions _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'partially assigned 15N-edited noesy peak list in sparky format' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . . 1719.986 . . . . . . . 17032 2 2 . . H 1 HA . . 6897.857 . . . . . . . 17032 2 3 . . H 1 H . . 3206.250 . . . . . . . 17032 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 5 $SPARKY . . 17032 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 562000.0 . volume 17032 2 2 40600.0 . volume 17032 2 3 36500.0 . volume 17032 2 4 10600.0 . volume 17032 2 5 23200.0 . volume 17032 2 6 17700.0 . volume 17032 2 7 602000.0 . volume 17032 2 8 18100.0 . volume 17032 2 9 11100.0 . volume 17032 2 10 10900.0 . volume 17032 2 11 22200.0 . volume 17032 2 12 26000.0 . volume 17032 2 13 11300.0 . volume 17032 2 14 22900.0 . volume 17032 2 15 734000.0 . volume 17032 2 16 23200.0 . volume 17032 2 17 34200.0 . volume 17032 2 18 13800.0 . volume 17032 2 19 13900.0 . volume 17032 2 20 364000.0 . volume 17032 2 21 8480.0 . volume 17032 2 22 16600.0 . volume 17032 2 23 8640.0 . volume 17032 2 24 14300.0 . volume 17032 2 25 633000.0 . volume 17032 2 26 10300.0 . volume 17032 2 27 73400.0 . volume 17032 2 28 27900.0 . volume 17032 2 29 27700.0 . volume 17032 2 30 13000.0 . volume 17032 2 31 11100.0 . volume 17032 2 32 594000.0 . volume 17032 2 33 52300.0 . volume 17032 2 34 24800.0 . volume 17032 2 35 35600.0 . volume 17032 2 36 11000.0 . volume 17032 2 37 9280.0 . volume 17032 2 38 16900.0 . volume 17032 2 39 54600.0 . volume 17032 2 40 30100.0 . volume 17032 2 41 34800.0 . volume 17032 2 42 677000.0 . volume 17032 2 43 22100.0 . volume 17032 2 44 11700.0 . volume 17032 2 45 71700.0 . volume 17032 2 46 22500.0 . volume 17032 2 47 28900.0 . volume 17032 2 48 433000.0 . volume 17032 2 49 23300.0 . volume 17032 2 50 11700.0 . volume 17032 2 51 15400.0 . volume 17032 2 52 11500.0 . volume 17032 2 53 730000.0 . volume 17032 2 54 45700.0 . volume 17032 2 55 19400.0 . volume 17032 2 56 10100.0 . volume 17032 2 57 528000.0 . volume 17032 2 58 11900.0 . volume 17032 2 59 13500.0 . volume 17032 2 60 77000.0 . volume 17032 2 61 38000.0 . volume 17032 2 62 22100.0 . volume 17032 2 63 629000.0 . volume 17032 2 64 41800.0 . volume 17032 2 65 19000.0 . volume 17032 2 66 17900.0 . volume 17032 2 67 15500.0 . volume 17032 2 68 30800.0 . volume 17032 2 69 27600.0 . volume 17032 2 70 550000.0 . volume 17032 2 71 66700.0 . volume 17032 2 72 15700.0 . volume 17032 2 73 10200.0 . volume 17032 2 74 12200.0 . volume 17032 2 75 51200.0 . volume 17032 2 76 624000.0 . volume 17032 2 77 78800.0 . volume 17032 2 78 42900.0 . volume 17032 2 79 24700.0 . volume 17032 2 80 592000.0 . volume 17032 2 81 18900.0 . volume 17032 2 82 84500.0 . volume 17032 2 83 29500.0 . volume 17032 2 84 13900.0 . volume 17032 2 85 28500.0 . volume 17032 2 86 402000.0 . volume 17032 2 87 335000.0 . volume 17032 2 88 13900.0 . volume 17032 2 89 17000.0 . volume 17032 2 90 291000.0 . volume 17032 2 91 355000.0 . volume 17032 2 92 6950.0 . volume 17032 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 109.326 . . . . . . . . . . . . . 17032 2 1 2 8.563 . . . . . . . . . . . . . 17032 2 1 3 8.563 . . . . . . . . . . . . . 17032 2 2 1 109.326 . . . . . . . . . . . . . 17032 2 2 2 3.616 . . . . . . . . . . . . . 17032 2 2 3 8.565 . . . . . . . . . . . . . 17032 2 3 1 109.313 . . . . . . . . . . . . . 17032 2 3 2 7.877 . . . . . . . . . . . . . 17032 2 3 3 8.563 . . . . . . . . . . . . . 17032 2 4 1 109.31 . . . . . . . . . . . . . 17032 2 4 2 4.626 . . . . . . . . . . . . . 17032 2 4 3 8.565 . . . . . . . . . . . . . 17032 2 5 1 109.319 . . . . . . . . . . . . . 17032 2 5 2 4.309 . . . . . . . . . . . . . 17032 2 5 3 8.566 . . . . . . . . . . . . . 17032 2 6 1 112.902 . . . . . . . . . . . . . 17032 2 6 2 8.564 . . . . . . . . . . . . . 17032 2 6 3 7.862 . . . . . . . . . . . . . 17032 2 7 1 112.883 . . . . . . . . . . . . . 17032 2 7 2 7.862 . . . . . . . . . . . . . 17032 2 7 3 7.862 . . . . . . . . . . . . . 17032 2 8 1 112.861 . . . . . . . . . . . . . 17032 2 8 2 4.639 . . . . . . . . . . . . . 17032 2 8 3 7.865 . . . . . . . . . . . . . 17032 2 9 1 112.873 . . . . . . . . . . . . . 17032 2 9 2 4.37 . . . . . . . . . . . . . 17032 2 9 3 7.861 . . . . . . . . . . . . . 17032 2 10 1 112.856 . . . . . . . . . . . . . 17032 2 10 2 3.971 . . . . . . . . . . . . . 17032 2 10 3 7.862 . . . . . . . . . . . . . 17032 2 11 1 112.878 . . . . . . . . . . . . . 17032 2 11 2 3.184 . . . . . . . . . . . . . 17032 2 11 3 7.862 . . . . . . . . . . . . . 17032 2 12 1 112.871 . . . . . . . . . . . . . 17032 2 12 2 2.866 . . . . . . . . . . . . . 17032 2 12 3 7.861 . . . . . . . . . . . . . 17032 2 13 1 112.861 . . . . . . . . . . . . . 17032 2 13 2 1.984 . . . . . . . . . . . . . 17032 2 13 3 7.863 . . . . . . . . . . . . . 17032 2 14 1 116.534 . . . . . . . . . . . . . 17032 2 14 2 8.564 . . . . . . . . . . . . . 17032 2 14 3 7.894 . . . . . . . . . . . . . 17032 2 15 1 116.537 . . . . . . . . . . . . . 17032 2 15 2 7.894 . . . . . . . . . . . . . 17032 2 15 3 7.894 . . . . . . . . . . . . . 17032 2 16 1 116.519 . . . . . . . . . . . . . 17032 2 16 2 4.418 . . . . . . . . . . . . . 17032 2 16 3 7.897 . . . . . . . . . . . . . 17032 2 17 1 116.533 . . . . . . . . . . . . . 17032 2 17 2 3.943 . . . . . . . . . . . . . 17032 2 17 3 7.894 . . . . . . . . . . . . . 17032 2 18 1 116.511 . . . . . . . . . . . . . 17032 2 18 2 2.918 . . . . . . . . . . . . . 17032 2 18 3 7.893 . . . . . . . . . . . . . 17032 2 19 1 119.045 . . . . . . . . . . . . . 17032 2 19 2 8.447 . . . . . . . . . . . . . 17032 2 19 3 8.09 . . . . . . . . . . . . . 17032 2 20 1 119.04 . . . . . . . . . . . . . 17032 2 20 2 8.089 . . . . . . . . . . . . . 17032 2 20 3 8.089 . . . . . . . . . . . . . 17032 2 21 1 119.03 . . . . . . . . . . . . . 17032 2 21 2 7.078 . . . . . . . . . . . . . 17032 2 21 3 8.089 . . . . . . . . . . . . . 17032 2 22 1 119.013 . . . . . . . . . . . . . 17032 2 22 2 4.695 . . . . . . . . . . . . . 17032 2 22 3 8.093 . . . . . . . . . . . . . 17032 2 23 1 119.065 . . . . . . . . . . . . . 17032 2 23 2 3.699 . . . . . . . . . . . . . 17032 2 23 3 8.086 . . . . . . . . . . . . . 17032 2 24 1 119.045 . . . . . . . . . . . . . 17032 2 24 2 2.934 . . . . . . . . . . . . . 17032 2 24 3 8.089 . . . . . . . . . . . . . 17032 2 25 1 120.152 . . . . . . . . . . . . . 17032 2 25 2 8.342 . . . . . . . . . . . . . 17032 2 25 3 8.342 . . . . . . . . . . . . . 17032 2 26 1 120.153 . . . . . . . . . . . . . 17032 2 26 2 4.767 . . . . . . . . . . . . . 17032 2 26 3 8.347 . . . . . . . . . . . . . 17032 2 27 1 120.155 . . . . . . . . . . . . . 17032 2 27 2 4.435 . . . . . . . . . . . . . 17032 2 27 3 8.342 . . . . . . . . . . . . . 17032 2 28 1 120.159 . . . . . . . . . . . . . 17032 2 28 2 3.951 . . . . . . . . . . . . . 17032 2 28 3 8.341 . . . . . . . . . . . . . 17032 2 29 1 120.167 . . . . . . . . . . . . . 17032 2 29 2 1.71 . . . . . . . . . . . . . 17032 2 29 3 8.342 . . . . . . . . . . . . . 17032 2 30 1 120.161 . . . . . . . . . . . . . 17032 2 30 2 1.107 . . . . . . . . . . . . . 17032 2 30 3 8.34 . . . . . . . . . . . . . 17032 2 31 1 120.106 . . . . . . . . . . . . . 17032 2 31 2 0.882 . . . . . . . . . . . . . 17032 2 31 3 8.343 . . . . . . . . . . . . . 17032 2 32 1 120.804 . . . . . . . . . . . . . 17032 2 32 2 8.641 . . . . . . . . . . . . . 17032 2 32 3 8.642 . . . . . . . . . . . . . 17032 2 33 1 120.796 . . . . . . . . . . . . . 17032 2 33 2 4.76 . . . . . . . . . . . . . 17032 2 33 3 8.642 . . . . . . . . . . . . . 17032 2 34 1 120.803 . . . . . . . . . . . . . 17032 2 34 2 4.457 . . . . . . . . . . . . . 17032 2 34 3 8.644 . . . . . . . . . . . . . 17032 2 35 1 120.796 . . . . . . . . . . . . . 17032 2 35 2 3.688 . . . . . . . . . . . . . 17032 2 35 3 8.642 . . . . . . . . . . . . . 17032 2 36 1 120.833 . . . . . . . . . . . . . 17032 2 36 2 1.739 . . . . . . . . . . . . . 17032 2 36 3 8.644 . . . . . . . . . . . . . 17032 2 37 1 120.762 . . . . . . . . . . . . . 17032 2 37 2 1.547 . . . . . . . . . . . . . 17032 2 37 3 8.643 . . . . . . . . . . . . . 17032 2 38 1 120.847 . . . . . . . . . . . . . 17032 2 38 2 0.881 . . . . . . . . . . . . . 17032 2 38 3 8.642 . . . . . . . . . . . . . 17032 2 39 1 121.483 . . . . . . . . . . . . . 17032 2 39 2 4.734 . . . . . . . . . . . . . 17032 2 39 3 8.62 . . . . . . . . . . . . . 17032 2 40 1 121.477 . . . . . . . . . . . . . 17032 2 40 2 2.954 . . . . . . . . . . . . . 17032 2 40 3 8.62 . . . . . . . . . . . . . 17032 2 41 1 121.494 . . . . . . . . . . . . . 17032 2 41 2 2.755 . . . . . . . . . . . . . 17032 2 41 3 8.62 . . . . . . . . . . . . . 17032 2 42 1 121.517 . . . . . . . . . . . . . 17032 2 42 2 8.449 . . . . . . . . . . . . . 17032 2 42 3 8.45 . . . . . . . . . . . . . 17032 2 43 1 121.512 . . . . . . . . . . . . . 17032 2 43 2 8.101 . . . . . . . . . . . . . 17032 2 43 3 8.451 . . . . . . . . . . . . . 17032 2 44 1 121.527 . . . . . . . . . . . . . 17032 2 44 2 4.687 . . . . . . . . . . . . . 17032 2 44 3 8.455 . . . . . . . . . . . . . 17032 2 45 1 121.514 . . . . . . . . . . . . . 17032 2 45 2 4.474 . . . . . . . . . . . . . 17032 2 45 3 8.45 . . . . . . . . . . . . . 17032 2 46 1 121.514 . . . . . . . . . . . . . 17032 2 46 2 3.713 . . . . . . . . . . . . . 17032 2 46 3 8.449 . . . . . . . . . . . . . 17032 2 47 1 121.502 . . . . . . . . . . . . . 17032 2 47 2 2.461 . . . . . . . . . . . . . 17032 2 47 3 8.45 . . . . . . . . . . . . . 17032 2 48 1 123.114 . . . . . . . . . . . . . 17032 2 48 2 8.557 . . . . . . . . . . . . . 17032 2 48 3 8.557 . . . . . . . . . . . . . 17032 2 49 1 123.132 . . . . . . . . . . . . . 17032 2 49 2 4.685 . . . . . . . . . . . . . 17032 2 49 3 8.557 . . . . . . . . . . . . . 17032 2 50 1 123.111 . . . . . . . . . . . . . 17032 2 50 2 2.954 . . . . . . . . . . . . . 17032 2 50 3 8.559 . . . . . . . . . . . . . 17032 2 51 1 123.122 . . . . . . . . . . . . . 17032 2 51 2 1.791 . . . . . . . . . . . . . 17032 2 51 3 8.557 . . . . . . . . . . . . . 17032 2 52 1 123.026 . . . . . . . . . . . . . 17032 2 52 2 4.255 . . . . . . . . . . . . . 17032 2 52 3 8.56 . . . . . . . . . . . . . 17032 2 53 1 126.306 . . . . . . . . . . . . . 17032 2 53 2 7.919 . . . . . . . . . . . . . 17032 2 53 3 7.92 . . . . . . . . . . . . . 17032 2 54 1 126.294 . . . . . . . . . . . . . 17032 2 54 2 4.257 . . . . . . . . . . . . . 17032 2 54 3 7.92 . . . . . . . . . . . . . 17032 2 55 1 126.308 . . . . . . . . . . . . . 17032 2 55 2 2.806 . . . . . . . . . . . . . 17032 2 55 3 7.919 . . . . . . . . . . . . . 17032 2 56 1 127.407 . . . . . . . . . . . . . 17032 2 56 2 3.175 . . . . . . . . . . . . . 17032 2 56 3 8.921 . . . . . . . . . . . . . 17032 2 57 1 127.368 . . . . . . . . . . . . . 17032 2 57 2 8.92 . . . . . . . . . . . . . 17032 2 57 3 8.92 . . . . . . . . . . . . . 17032 2 58 1 127.388 . . . . . . . . . . . . . 17032 2 58 2 7.121 . . . . . . . . . . . . . 17032 2 58 3 8.919 . . . . . . . . . . . . . 17032 2 59 1 127.37 . . . . . . . . . . . . . 17032 2 59 2 4.698 . . . . . . . . . . . . . 17032 2 59 3 8.924 . . . . . . . . . . . . . 17032 2 60 1 127.365 . . . . . . . . . . . . . 17032 2 60 2 4.406 . . . . . . . . . . . . . 17032 2 60 3 8.92 . . . . . . . . . . . . . 17032 2 61 1 127.372 . . . . . . . . . . . . . 17032 2 61 2 2.918 . . . . . . . . . . . . . 17032 2 61 3 8.92 . . . . . . . . . . . . . 17032 2 62 1 127.35 . . . . . . . . . . . . . 17032 2 62 2 0.885 . . . . . . . . . . . . . 17032 2 62 3 8.92 . . . . . . . . . . . . . 17032 2 63 1 124.44 . . . . . . . . . . . . . 17032 2 63 2 8.717 . . . . . . . . . . . . . 17032 2 63 3 8.717 . . . . . . . . . . . . . 17032 2 64 1 124.443 . . . . . . . . . . . . . 17032 2 64 2 4.815 . . . . . . . . . . . . . 17032 2 64 3 8.717 . . . . . . . . . . . . . 17032 2 65 1 124.447 . . . . . . . . . . . . . 17032 2 65 2 4.364 . . . . . . . . . . . . . 17032 2 65 3 8.724 . . . . . . . . . . . . . 17032 2 66 1 124.438 . . . . . . . . . . . . . 17032 2 66 2 3.197 . . . . . . . . . . . . . 17032 2 66 3 8.717 . . . . . . . . . . . . . 17032 2 67 1 124.442 . . . . . . . . . . . . . 17032 2 67 2 2.962 . . . . . . . . . . . . . 17032 2 67 3 8.717 . . . . . . . . . . . . . 17032 2 68 1 124.42 . . . . . . . . . . . . . 17032 2 68 2 1.716 . . . . . . . . . . . . . 17032 2 68 3 8.718 . . . . . . . . . . . . . 17032 2 69 1 124.153 . . . . . . . . . . . . . 17032 2 69 2 8.626 . . . . . . . . . . . . . 17032 2 69 3 8.622 . . . . . . . . . . . . . 17032 2 70 1 124.8 . . . . . . . . . . . . . 17032 2 70 2 8.55 . . . . . . . . . . . . . 17032 2 70 3 8.55 . . . . . . . . . . . . . 17032 2 71 1 124.804 . . . . . . . . . . . . . 17032 2 71 2 4.533 . . . . . . . . . . . . . 17032 2 71 3 8.55 . . . . . . . . . . . . . 17032 2 72 1 124.821 . . . . . . . . . . . . . 17032 2 72 2 4.192 . . . . . . . . . . . . . 17032 2 72 3 8.554 . . . . . . . . . . . . . 17032 2 73 1 124.784 . . . . . . . . . . . . . 17032 2 73 2 3.688 . . . . . . . . . . . . . 17032 2 73 3 8.55 . . . . . . . . . . . . . 17032 2 74 1 124.801 . . . . . . . . . . . . . 17032 2 74 2 1.791 . . . . . . . . . . . . . 17032 2 74 3 8.55 . . . . . . . . . . . . . 17032 2 75 1 124.796 . . . . . . . . . . . . . 17032 2 75 2 1.527 . . . . . . . . . . . . . 17032 2 75 3 8.55 . . . . . . . . . . . . . 17032 2 76 1 124.249 . . . . . . . . . . . . . 17032 2 76 2 8.334 . . . . . . . . . . . . . 17032 2 76 3 8.334 . . . . . . . . . . . . . 17032 2 77 1 124.246 . . . . . . . . . . . . . 17032 2 77 2 4.366 . . . . . . . . . . . . . 17032 2 77 3 8.334 . . . . . . . . . . . . . 17032 2 78 1 124.245 . . . . . . . . . . . . . 17032 2 78 2 1.555 . . . . . . . . . . . . . 17032 2 78 3 8.334 . . . . . . . . . . . . . 17032 2 79 1 124.227 . . . . . . . . . . . . . 17032 2 79 2 1.768 . . . . . . . . . . . . . 17032 2 79 3 8.334 . . . . . . . . . . . . . 17032 2 80 1 123.933 . . . . . . . . . . . . . 17032 2 80 2 8.169 . . . . . . . . . . . . . 17032 2 80 3 8.169 . . . . . . . . . . . . . 17032 2 81 1 123.932 . . . . . . . . . . . . . 17032 2 81 2 4.408 . . . . . . . . . . . . . 17032 2 81 3 8.175 . . . . . . . . . . . . . 17032 2 82 1 123.937 . . . . . . . . . . . . . 17032 2 82 2 4.19 . . . . . . . . . . . . . 17032 2 82 3 8.169 . . . . . . . . . . . . . 17032 2 83 1 123.936 . . . . . . . . . . . . . 17032 2 83 2 1.858 . . . . . . . . . . . . . 17032 2 83 3 8.169 . . . . . . . . . . . . . 17032 2 84 1 123.936 . . . . . . . . . . . . . 17032 2 84 2 1.509 . . . . . . . . . . . . . 17032 2 84 3 8.168 . . . . . . . . . . . . . 17032 2 85 1 123.927 . . . . . . . . . . . . . 17032 2 85 2 0.88 . . . . . . . . . . . . . 17032 2 85 3 8.169 . . . . . . . . . . . . . 17032 2 86 1 111.226 . . . . . . . . . . . . . 17032 2 86 2 7.609 . . . . . . . . . . . . . 17032 2 86 3 7.608 . . . . . . . . . . . . . 17032 2 87 1 111.235 . . . . . . . . . . . . . 17032 2 87 2 6.886 . . . . . . . . . . . . . 17032 2 87 3 7.608 . . . . . . . . . . . . . 17032 2 88 1 111.23 . . . . . . . . . . . . . 17032 2 88 2 3.226 . . . . . . . . . . . . . 17032 2 88 3 7.609 . . . . . . . . . . . . . 17032 2 89 1 111.187 . . . . . . . . . . . . . 17032 2 89 2 2.847 . . . . . . . . . . . . . 17032 2 89 3 7.608 . . . . . . . . . . . . . 17032 2 90 1 111.235 . . . . . . . . . . . . . 17032 2 90 2 7.608 . . . . . . . . . . . . . 17032 2 90 3 6.887 . . . . . . . . . . . . . 17032 2 91 1 111.227 . . . . . . . . . . . . . 17032 2 91 2 6.886 . . . . . . . . . . . . . 17032 2 91 3 6.887 . . . . . . . . . . . . . 17032 2 92 1 126.351 . . . . . . . . . . . . . 17032 2 92 2 8.559 . . . . . . . . . . . . . 17032 2 92 3 7.92 . . . . . . . . . . . . . 17032 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 109.326 . . . . . . . . . . . 104 . . . . . . 1 . . 17032 2 1 2 . . . 8.563 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 1 3 . . . 8.563 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 2 1 . . . 109.326 . . . . . . . . . . . 104 . . . . . . 1 . . 17032 2 2 2 . . . 3.616 . . . . . . . . . . . 102 . . . . . . 1 . . 17032 2 2 3 . . . 8.565 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 4 1 . . . 109.31 . . . . . . . . . . . 104 . . . . . . 1 . . 17032 2 4 2 . . . 4.626 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 2 4 3 . . . 8.565 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 5 1 . . . 109.319 . . . . . . . . . . . 104 . . . . . . 1 . . 17032 2 5 2 . . . 4.309 . . . . . . . . . . . 103 . . . . . . 1 . . 17032 2 5 3 . . . 8.566 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 6 1 . . . 112.902 . . . . . . . . . . . 97 . . . . . . 1 . . 17032 2 6 2 . . . 8.564 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 6 3 . . . 7.862 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 2 7 1 . . . 112.883 . . . . . . . . . . . 97 . . . . . . 1 . . 17032 2 7 2 . . . 7.862 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 2 7 3 . . . 7.862 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 2 8 1 . . . 112.861 . . . . . . . . . . . 97 . . . . . . 1 . . 17032 2 8 2 . . . 4.639 . . . . . . . . . . . 92 . . . . . . 1 . . 17032 2 8 3 . . . 7.865 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 2 9 1 . . . 112.873 . . . . . . . . . . . 97 . . . . . . 1 . . 17032 2 9 2 . . . 4.37 . . . . . . . . . . . 82 . . . . . . 1 . . 17032 2 9 3 . . . 7.861 . . . . . . . . . . . 91 . . . . . . 1 . . 17032 2 14 1 . . . 116.534 . . . . . . . . . . . 112 . . . . . . 1 . . 17032 2 14 2 . . . 8.564 . . . . . . . . . . . 101 . . . . . . 1 . . 17032 2 14 3 . . . 7.894 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 2 15 1 . . . 116.537 . . . . . . . . . . . 112 . . . . . . 1 . . 17032 2 15 2 . . . 7.894 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 2 15 3 . . . 7.894 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 2 16 1 . . . 116.519 . . . . . . . . . . . 112 . . . . . . 1 . . 17032 2 16 2 . . . 4.418 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 2 16 3 . . . 7.897 . . . . . . . . . . . 108 . . . . . . 1 . . 17032 2 19 1 . . . 119.045 . . . . . . . . . . . 150 . . . . . . 1 . . 17032 2 19 2 . . . 8.447 . . . . . . . . . . . 138 . . . . . . 1 . . 17032 2 19 3 . . . 8.09 . . . . . . . . . . . 146 . . . . . . 1 . . 17032 2 20 1 . . . 119.04 . . . . . . . . . . . 150 . . . . . . 1 . . 17032 2 20 2 . . . 8.089 . . . . . . . . . . . 146 . . . . . . 1 . . 17032 2 20 3 . . . 8.089 . . . . . . . . . . . 146 . . . . . . 1 . . 17032 2 25 1 . . . 120.152 . . . . . . . . . . . 126 . . . . . . 1 . . 17032 2 25 2 . . . 8.342 . . . . . . . . . . . 119 . . . . . . 1 . . 17032 2 25 3 . . . 8.342 . . . . . . . . . . . 119 . . . . . . 1 . . 17032 2 26 1 . . . 120.153 . . . . . . . . . . . 126 . . . . . . 1 . . 17032 2 26 2 . . . 4.767 . . . . . . . . . . . 120 . . . . . . 1 . . 17032 2 26 3 . . . 8.347 . . . . . . . . . . . 119 . . . . . . 1 . . 17032 2 27 1 . . . 120.155 . . . . . . . . . . . 126 . . . . . . 1 . . 17032 2 27 2 . . . 4.435 . . . . . . . . . . . 109 . . . . . . 1 . . 17032 2 27 3 . . . 8.342 . . . . . . . . . . . 119 . . . . . . 1 . . 17032 2 32 1 . . . 120.804 . . . . . . . . . . . 134 . . . . . . 1 . . 17032 2 32 2 . . . 8.641 . . . . . . . . . . . 130 . . . . . . 1 . . 17032 2 32 3 . . . 8.642 . . . . . . . . . . . 130 . . . . . . 1 . . 17032 2 33 1 . . . 120.796 . . . . . . . . . . . 134 . . . . . . 1 . . 17032 2 33 2 . . . 4.76 . . . . . . . . . . . 120 . . . . . . 1 . . 17032 2 33 3 . . . 8.642 . . . . . . . . . . . 130 . . . . . . 1 . . 17032 2 34 1 . . . 120.803 . . . . . . . . . . . 134 . . . . . . 1 . . 17032 2 34 2 . . . 4.457 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 2 34 3 . . . 8.644 . . . . . . . . . . . 130 . . . . . . 1 . . 17032 2 39 1 . . . 121.483 . . . . . . . . . . . 158 . . . . . . 1 . . 17032 2 39 2 . . . 4.734 . . . . . . . . . . . 147 . . . . . . 1 . . 17032 2 39 3 . . . 8.62 . . . . . . . . . . . 154 . . . . . . 1 . . 17032 2 42 1 . . . 121.517 . . . . . . . . . . . 142 . . . . . . 1 . . 17032 2 42 2 . . . 8.449 . . . . . . . . . . . 138 . . . . . . 1 . . 17032 2 42 3 . . . 8.45 . . . . . . . . . . . 138 . . . . . . 1 . . 17032 2 45 1 . . . 121.514 . . . . . . . . . . . 142 . . . . . . 1 . . 17032 2 45 2 . . . 4.474 . . . . . . . . . . . 131 . . . . . . 1 . . 17032 2 45 3 . . . 8.45 . . . . . . . . . . . 138 . . . . . . 1 . . 17032 2 48 1 . . . 123.114 . . . . . . . . . . . 167 . . . . . . 1 . . 17032 2 48 2 . . . 8.557 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 2 48 3 . . . 8.557 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 2 49 1 . . . 123.132 . . . . . . . . . . . 167 . . . . . . 1 . . 17032 2 49 2 . . . 4.685 . . . . . . . . . . . 155 . . . . . . 1 . . 17032 2 49 3 . . . 8.557 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 2 52 1 . . . 123.026 . . . . . . . . . . . 167 . . . . . . 1 . . 17032 2 52 2 . . . 4.255 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 2 52 3 . . . 8.56 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 2 53 1 . . . 126.306 . . . . . . . . . . . 175 . . . . . . 1 . . 17032 2 53 2 . . . 7.919 . . . . . . . . . . . 171 . . . . . . 1 . . 17032 2 53 3 . . . 7.92 . . . . . . . . . . . 171 . . . . . . 1 . . 17032 2 54 1 . . . 126.294 . . . . . . . . . . . 175 . . . . . . 1 . . 17032 2 54 2 . . . 4.257 . . . . . . . . . . . 164 . . . . . . 1 . . 17032 2 54 3 . . . 7.92 . . . . . . . . . . . 171 . . . . . . 1 . . 17032 2 57 1 . . . 127.368 . . . . . . . . . . . 76 . . . . . . 1 . . 17032 2 57 2 . . . 8.92 . . . . . . . . . . . 72 . . . . . . 1 . . 17032 2 57 3 . . . 8.92 . . . . . . . . . . . 72 . . . . . . 1 . . 17032 2 60 1 . . . 127.365 . . . . . . . . . . . 76 . . . . . . 1 . . 17032 2 60 2 . . . 4.406 . . . . . . . . . . . 65 . . . . . . 1 . . 17032 2 60 3 . . . 8.92 . . . . . . . . . . . 72 . . . . . . 1 . . 17032 2 63 1 . . . 124.44 . . . . . . . . . . . 25 . . . . . . 1 . . 17032 2 63 2 . . . 8.717 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 63 3 . . . 8.717 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 64 1 . . . 124.443 . . . . . . . . . . . 25 . . . . . . 1 . . 17032 2 64 2 . . . 4.815 . . . . . . . . . . . 11 . . . . . . 1 . . 17032 2 64 3 . . . 8.717 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 65 1 . . . 124.447 . . . . . . . . . . . 25 . . . . . . 1 . . 17032 2 65 2 . . . 4.364 . . . . . . . . . . . 22 . . . . . . 1 . . 17032 2 65 3 . . . 8.724 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 66 1 . . . 124.438 . . . . . . . . . . . 25 . . . . . . 1 . . 17032 2 66 2 . . . 3.197 . . . . . . . . . . . 13 . . . . . . 1 . . 17032 2 66 3 . . . 8.717 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 67 1 . . . 124.442 . . . . . . . . . . . 25 . . . . . . 1 . . 17032 2 67 2 . . . 2.962 . . . . . . . . . . . 12 . . . . . . 1 . . 17032 2 67 3 . . . 8.717 . . . . . . . . . . . 21 . . . . . . 1 . . 17032 2 70 1 . . . 124.8 . . . . . . . . . . . 55 . . . . . . 1 . . 17032 2 70 2 . . . 8.55 . . . . . . . . . . . 49 . . . . . . 1 . . 17032 2 70 3 . . . 8.55 . . . . . . . . . . . 49 . . . . . . 1 . . 17032 2 71 1 . . . 124.804 . . . . . . . . . . . 55 . . . . . . 1 . . 17032 2 71 2 . . . 4.533 . . . . . . . . . . . 35 . . . . . . 1 . . 17032 2 71 3 . . . 8.55 . . . . . . . . . . . 49 . . . . . . 1 . . 17032 2 72 1 . . . 124.821 . . . . . . . . . . . 55 . . . . . . 1 . . 17032 2 72 2 . . . 4.192 . . . . . . . . . . . 50 . . . . . . 1 . . 17032 2 72 3 . . . 8.554 . . . . . . . . . . . 49 . . . . . . 1 . . 17032 2 76 1 . . . 124.249 . . . . . . . . . . . 42 . . . . . . 1 . . 17032 2 76 2 . . . 8.334 . . . . . . . . . . . 34 . . . . . . 1 . . 17032 2 76 3 . . . 8.334 . . . . . . . . . . . 34 . . . . . . 1 . . 17032 2 77 1 . . . 124.246 . . . . . . . . . . . 42 . . . . . . 1 . . 17032 2 77 2 . . . 4.366 . . . . . . . . . . . 22 . . . . . . 1 . . 17032 2 77 3 . . . 8.334 . . . . . . . . . . . 34 . . . . . . 1 . . 17032 2 80 1 . . . 123.933 . . . . . . . . . . . 69 . . . . . . 1 . . 17032 2 80 2 . . . 8.169 . . . . . . . . . . . 64 . . . . . . 1 . . 17032 2 80 3 . . . 8.169 . . . . . . . . . . . 64 . . . . . . 1 . . 17032 2 81 1 . . . 123.932 . . . . . . . . . . . 69 . . . . . . 1 . . 17032 2 81 2 . . . 4.408 . . . . . . . . . . . 65 . . . . . . 1 . . 17032 2 81 3 . . . 8.175 . . . . . . . . . . . 64 . . . . . . 1 . . 17032 2 82 1 . . . 123.937 . . . . . . . . . . . 69 . . . . . . 1 . . 17032 2 82 2 . . . 4.19 . . . . . . . . . . . 50 . . . . . . 1 . . 17032 2 82 3 . . . 8.169 . . . . . . . . . . . 64 . . . . . . 1 . . 17032 2 92 1 . . . 126.351 . . . . . . . . . . . 175 . . . . . . 1 . . 17032 2 92 2 . . . 8.559 . . . . . . . . . . . 163 . . . . . . 1 . . 17032 2 92 3 . . . 7.92 . . . . . . . . . . . 171 . . . . . . 1 . . 17032 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_CKR-PNG-HetNOEs _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode CKR-PNG-HetNOEs _Heteronucl_NOE_list.Entry_ID 17032 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $CKR-PNG_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0.0 _Heteronucl_NOE_list.NOE_ref_description 'none (?)' _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 11 '2D 1H-15N HSQC' . . . 17032 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 5 $SPARKY . . 17032 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 CYS N N 15 . 1 1 2 2 CYS H H 1 0.1210 0 . . . 2 CYS N 1 2 CYS H 17032 1 2 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.1024 0 . . . 3 LYS N 1 3 LYS H 17032 1 3 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.6587 0 . . . 4 ARG N 1 4 ARG H 17032 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.3745 0 . . . 5 LYS N 1 5 LYS H 17032 1 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.3802 0 . . . 6 VAL N 1 6 VAL H 17032 1 6 . 1 1 7 7 TYR N N 15 . 1 1 7 7 TYR H H 1 0.3873 0 . . . 7 TYR N 1 7 TYR H 17032 1 7 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.7540 0 . . . 9 ASN N 1 9 ASN H 17032 1 8 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.6617 0 . . . 10 GLY N 1 10 GLY H 17032 1 9 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.7510 0 . . . 11 SER N 1 11 SER H 17032 1 10 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.8015 0 . . . 12 ILE N 1 12 ILE H 17032 1 11 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.5994 0 . . . 13 SER N 1 13 SER H 17032 1 12 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.3052 0 . . . 14 ASP N 1 14 ASP H 17032 1 13 . 1 1 15 15 TYR N N 15 . 1 1 15 15 TYR H H 1 0.5659 0 . . . 15 TYR N 1 15 TYR H 17032 1 14 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.7675 0 . . . 16 CYS N 1 16 CYS H 17032 1 15 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.3893 0 . . . 17 GLU N 1 17 GLU H 17032 1 16 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 -0.0233 0 . . . 18 TYR N 1 18 TYR H 17032 1 stop_ save_