data_6792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6792 _Entry.Title ; Conformation of two oppositely functioning Allatostatin peptides for 2D NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-27 _Entry.Accession_date 2005-08-29 _Entry.Last_release_date 2015-04-21 _Entry.Original_release_date 2015-04-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1.1.77 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The 3D conformations of Dip-AST8 is determined from 2D NMR' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eric Meyerowitz . A. . 6792 2 Sergey Zubkov . . . 6792 3 Smita Mohanty . . . 6792 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 na 'SUNY Stony Brook' . 6792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6792 spectral_peak_list 1 6792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 27 6792 '1H chemical shifts' 54 6792 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-21 . original BMRB . 6792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5990 'Structure for AST5 calculated at different concentration of SDS' 6792 BMRB 5991 'Structures of Allatostatin Family Members AST5 and AST8 from 2D NMR Data' 6792 stop_ save_ ############### # Citations # ############### save_The_Journal_of_Peptides _Citation.Sf_category citations _Citation.Sf_framecode The_Journal_of_Peptides _Citation.Entry_ID 6792 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18191874 _Citation.Full_citation . _Citation.Title ; Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Peptides _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 375 _Citation.Page_last 385 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Monimoy Banerjeea . . . 6792 1 2 Eric Meyerowitza . A. . 6792 1 3 Chengdong Huanga . . . 6792 1 4 Smita Mohanty . . . 6792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6792 _Assembly.ID 1 _Assembly.Name Dip-AST8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6792 1 stop_ 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 Dip-AST8 1 $Dip-AST8 . . yes native no no . . . 6792 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID Dip-AST8 na 6792 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Inhibitor of Juvenile Hormone production in Corpora Allata of cockroach Diploptera Punctata' 6792 1 'Inhibitor of gut muscle contraction in Diploptera Puncata' 6792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dip-AST8 _Entity.Sf_category entity _Entity.Sf_framecode Dip-AST8 _Entity.Entry_ID 6792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dippu Allatostatin 8' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSLYSFGLX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Note that Leu8 is amidated (it has an extra NH2 on its C-terminal side)' _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Inhibitor of JH in Corpora Allata (CA) of cockroach' 6792 1 'Inhibitor of gut muscle contraction in cockroach' 6792 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Dip-AST8 na 6792 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID Dip-AST8 na 6792 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID AST 6792 1 'Diploptera Punctata' 6792 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 . GLY . 6792 1 2 . GLY . 6792 1 3 . SER . 6792 1 4 . LEU . 6792 1 5 . TYR . 6792 1 6 . SER . 6792 1 7 . PHE . 6792 1 8 . GLY . 6792 1 9 . LEU . 6792 1 10 . NH2 . 6792 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 . GLY 1 1 6792 1 . GLY 2 2 6792 1 . SER 3 3 6792 1 . LEU 4 4 6792 1 . TYR 5 5 6792 1 . SER 6 6 6792 1 . PHE 7 7 6792 1 . GLY 8 8 6792 1 . LEU 9 9 6792 1 . NH2 10 10 6792 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 6792 _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 $Dip-AST8 . 6984 organism no . 'Pacific Beetle Cockroach' . . Eukaryota Metazoa Diploptera Punctata . . . . . . . . . . . . . 6792 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 6792 _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 $Dip-AST8 . 'obtained from a vendor' . . . 6984 Diploptera Puncata . . . . . . . . 'Genemed Synthesis' . 6792 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 6792 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 6792 NH2 N SMILES ACDLabs 10.04 6792 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 6792 NH2 [NH2] SMILES CACTVS 3.341 6792 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 6792 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 6792 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6792 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 6792 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6792 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 6792 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 6792 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 6792 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 6792 NH2 2 . SING N HN2 no N 2 . 6792 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AST8 _Sample.Sf_category sample _Sample.Sf_framecode AST8 _Sample.Entry_ID 6792 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; deuterated 30mM SDS H2O or D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Dippu Allatostatin 8' . . . 1 $Dip-AST8 . protein 1 0.8 2.0 mM 0.5 . . . 6792 1 2 'SDS -- Sodium dodecyl sulfate' '[U-100% 2H]' . . . . . lipid 30 29.9 30.1 mM 0.1 . . . 6792 1 3 water '[U-10% 2H]' . . . . . solvent . . . . . . . . 6792 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6792 _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 temperature 303 0.1 K 6792 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'All Spectrometers from NYSBC in New York, New York' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 6792 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6792 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6792 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6792 _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 DQFCOSY no . . . . . . . . . . 1 $AST8 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6792 1 2 TOCSY no . . . . . . . . . . 1 $AST8 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6792 1 3 NOESY yes . . . . . . . . . . 1 $AST8 isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6792 1 4 1H13C_HMQC no . . . . . . . . . . 1 $AST8 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6792 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6792 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 Water protons . . . . ppm 4.7 internal indirect . . . . . . . . . . 6792 1 H 1 Water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 6792 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 1.0 _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 'List of all 1H and 13C chemical shifts found in this study (for AST8)' _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 3 NOESY 1 $AST8 isotropic 6792 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.948 0.01 . . . . . . 1 GLY HA1 . 6792 1 2 . 1 1 1 1 GLY HA3 H 1 3.924 0.01 . . . . . . 1 GLY HA2 . 6792 1 3 . 1 1 1 1 GLY CA C 13 43.391 1 . . . . . . 1 GLY CA . 6792 1 4 . 1 1 2 2 GLY H H 1 8.462 0.01 . . . . . . 2 GLY HN . 6792 1 5 . 1 1 2 2 GLY HA2 H 1 4.082 0.01 . . . . . . 2 GLY HA1 . 6792 1 6 . 1 1 2 2 GLY HA3 H 1 4.075 0.01 . . . . . . 2 GLY HA2 . 6792 1 7 . 1 1 2 2 GLY CA C 13 45.493 1 . . . . . . 2 GLY CA . 6792 1 8 . 1 1 3 3 SER H H 1 8.215 0.01 . . . . . . 3 SER HN . 6792 1 9 . 1 1 3 3 SER HA H 1 4.469 0.01 . . . . . . 3 SER HA . 6792 1 10 . 1 1 3 3 SER HB2 H 1 3.884 0.01 . . . . . . 3 SER HB2 . 6792 1 11 . 1 1 3 3 SER HB3 H 1 3.884 0.01 . . . . . . 3 SER HB3 . 6792 1 12 . 1 1 3 3 SER CA C 13 58.866 1 . . . . . . 3 SER CA . 6792 1 13 . 1 1 3 3 SER CB C 13 63.933 1 . . . . . . 3 SER CB . 6792 1 14 . 1 1 4 4 LEU H H 1 8.239 0.01 . . . . . . 4 LEU HN . 6792 1 15 . 1 1 4 4 LEU HA H 1 4.201 0.01 . . . . . . 4 LEU HA . 6792 1 16 . 1 1 4 4 LEU HB2 H 1 1.617 0.01 . . . . . . 4 LEU HB2 . 6792 1 17 . 1 1 4 4 LEU HB3 H 1 1.624 0.01 . . . . . . 4 LEU HB3 . 6792 1 18 . 1 1 4 4 LEU HG H 1 1.449 0.01 . . . . . . 4 LEU HG . 6792 1 19 . 1 1 4 4 LEU HD11 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1 20 . 1 1 4 4 LEU HD12 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1 21 . 1 1 4 4 LEU HD13 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1 22 . 1 1 4 4 LEU HD21 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1 23 . 1 1 4 4 LEU HD22 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1 24 . 1 1 4 4 LEU HD23 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1 25 . 1 1 4 4 LEU CA C 13 56.621 1 . . . . . . 4 LEU CA . 6792 1 26 . 1 1 4 4 LEU CB C 13 42.210 1 . . . . . . 4 LEU CB . 6792 1 27 . 1 1 4 4 LEU CG C 13 27.225 1 . . . . . . 4 LEU CG . 6792 1 28 . 1 1 4 4 LEU CD1 C 13 25.082 1 . . . . . . 4 LEU CD1 . 6792 1 29 . 1 1 4 4 LEU CD2 C 13 24.066 1 . . . . . . 4 LEU CD2 . 6792 1 30 . 1 1 5 5 TYR H H 1 7.706 0.01 . . . . . . 5 TYR HN . 6792 1 31 . 1 1 5 5 TYR HA H 1 4.427 0.01 . . . . . . 5 TYR HA . 6792 1 32 . 1 1 5 5 TYR HB2 H 1 2.888 0.01 . . . . . . 5 TYR HB2 . 6792 1 33 . 1 1 5 5 TYR HB3 H 1 2.889 0.01 . . . . . . 5 TYR HB3 . 6792 1 34 . 1 1 5 5 TYR HD1 H 1 6.996 0.01 . . . . . . 5 TYR HD1 . 6792 1 35 . 1 1 5 5 TYR HD2 H 1 6.996 0.01 . . . . . . 5 TYR HD2 . 6792 1 36 . 1 1 5 5 TYR HE1 H 1 6.766 0.01 . . . . . . 5 TYR HE1 . 6792 1 37 . 1 1 5 5 TYR HE2 H 1 6.767 0.01 . . . . . . 5 TYR HE2 . 6792 1 38 . 1 1 5 5 TYR CA C 13 58.391 1 . . . . . . 5 TYR CA . 6792 1 39 . 1 1 5 5 TYR CB C 13 39.021 1 . . . . . . 5 TYR CB . 6792 1 40 . 1 1 5 5 TYR CD1 C 13 133.142 1 . . . . . . 5 TYR CD1 . 6792 1 41 . 1 1 5 5 TYR CD2 C 13 133.142 1 . . . . . . 5 TYR CD2 . 6792 1 42 . 1 1 6 6 SER H H 1 7.734 0.01 . . . . . . 6 SER HN . 6792 1 43 . 1 1 6 6 SER HA H 1 4.362 0.01 . . . . . . 6 SER HA . 6792 1 44 . 1 1 6 6 SER HB2 H 1 3.756 0.01 . . . . . . 6 SER HB2 . 6792 1 45 . 1 1 6 6 SER HB3 H 1 3.707 0.01 . . . . . . 6 SER HB3 . 6792 1 46 . 1 1 6 6 SER CA C 13 58.536 1 . . . . . . 6 SER CA . 6792 1 47 . 1 1 6 6 SER CB C 13 63.573 1 . . . . . . 6 SER CB . 6792 1 48 . 1 1 7 7 PHE H H 1 7.840 0.01 . . . . . . 7 PHE HN . 6792 1 49 . 1 1 7 7 PHE HA H 1 4.547 0.01 . . . . . . 7 PHE HA . 6792 1 50 . 1 1 7 7 PHE HB2 H 1 3.081 0.01 . . . . . . 7 PHE HB2 . 6792 1 51 . 1 1 7 7 PHE HB3 H 1 3.245 0.01 . . . . . . 7 PHE HB3 . 6792 1 52 . 1 1 7 7 PHE HD1 H 1 7.293 0.01 . . . . . . 7 PHE HD1 . 6792 1 53 . 1 1 7 7 PHE HD2 H 1 7.292 0.01 . . . . . . 7 PHE HD2 . 6792 1 54 . 1 1 7 7 PHE HE1 H 1 7.173 0.01 . . . . . . 7 PHE HE1 . 6792 1 55 . 1 1 7 7 PHE HE2 H 1 7.173 0.01 . . . . . . 7 PHE HE2 . 6792 1 56 . 1 1 7 7 PHE CA C 13 58.474 1 . . . . . . 7 PHE CA . 6792 1 57 . 1 1 7 7 PHE CB C 13 39.564 1 . . . . . . 7 PHE CB . 6792 1 58 . 1 1 7 7 PHE CD1 C 13 131.978 1 . . . . . . 7 PHE CD1 . 6792 1 59 . 1 1 7 7 PHE CD2 C 13 131.987 1 . . . . . . 7 PHE CD2 . 6792 1 60 . 1 1 7 7 PHE CE1 C 13 129.589 1 . . . . . . 7 PHE CE1 . 6792 1 61 . 1 1 7 7 PHE CE2 C 13 131.299 1 . . . . . . 7 PHE CE2 . 6792 1 62 . 1 1 8 8 GLY H H 1 8.076 0.01 . . . . . . 8 GLY HN . 6792 1 63 . 1 1 8 8 GLY HA2 H 1 3.903 0.01 . . . . . . 8 GLY HA1 . 6792 1 64 . 1 1 8 8 GLY HA3 H 1 3.898 0.01 . . . . . . 8 GLY HA2 . 6792 1 65 . 1 1 8 8 GLY CA C 13 45.844 1 . . . . . . 8 GLY CA . 6792 1 66 . 1 1 9 9 LEU H H 1 7.693 0.01 . . . . . . 9 LEU HN . 6792 1 67 . 1 1 9 9 LEU HA H 1 4.296 0.01 . . . . . . 9 LEU HA . 6792 1 68 . 1 1 9 9 LEU HB2 H 1 1.705 0.01 . . . . . . 9 LEU HB2 . 6792 1 69 . 1 1 9 9 LEU HB3 H 1 1.699 0.01 . . . . . . 9 LEU HB3 . 6792 1 70 . 1 1 9 9 LEU HG H 1 1.560 0.01 . . . . . . 9 LEU HG . 6792 1 71 . 1 1 9 9 LEU HD11 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1 72 . 1 1 9 9 LEU HD12 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1 73 . 1 1 9 9 LEU HD13 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1 74 . 1 1 9 9 LEU HD21 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1 75 . 1 1 9 9 LEU HD22 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1 76 . 1 1 9 9 LEU HD23 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1 77 . 1 1 9 9 LEU CA C 13 55.004 1 . . . . . . 9 LEU CA . 6792 1 78 . 1 1 9 9 LEU CB C 13 42.820 1 . . . . . . 9 LEU CB . 6792 1 79 . 1 1 9 9 LEU CG C 13 27.266 1 . . . . . . 9 LEU CG . 6792 1 80 . 1 1 9 9 LEU CD1 C 13 25.554 1 . . . . . . 9 LEU CD1 . 6792 1 81 . 1 1 9 9 LEU CD2 C 13 23.536 1 . . . . . . 9 LEU CD2 . 6792 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_1H-1H_NOESY_Peaklist _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 1H-1H_NOESY_Peaklist _Spectral_peak_list.Entry_ID 6792 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $AST8 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name NOESY _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _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.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 h . . . . . . 6792 1 2 H 1 H . . . . . . 6792 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 . . 6792 1 10 . . 6792 1 100 . . 6792 1 101 . . 6792 1 102 . . 6792 1 103 . . 6792 1 104 . . 6792 1 105 . . 6792 1 106 . . 6792 1 107 . . 6792 1 108 . . 6792 1 109 . . 6792 1 11 . . 6792 1 110 . . 6792 1 111 . . 6792 1 112 . . 6792 1 113 . . 6792 1 114 . . 6792 1 115 . . 6792 1 116 . . 6792 1 117 . . 6792 1 118 . . 6792 1 119 . . 6792 1 12 . . 6792 1 120 . . 6792 1 121 . . 6792 1 122 . . 6792 1 123 . . 6792 1 124 . . 6792 1 125 . . 6792 1 126 . . 6792 1 127 . . 6792 1 128 . . 6792 1 129 . . 6792 1 13 . . 6792 1 130 . . 6792 1 131 . . 6792 1 132 . . 6792 1 133 . . 6792 1 134 . . 6792 1 135 . . 6792 1 136 . . 6792 1 137 . . 6792 1 138 . . 6792 1 139 . . 6792 1 14 . . 6792 1 140 . . 6792 1 141 . . 6792 1 142 . . 6792 1 143 . . 6792 1 144 . . 6792 1 145 . . 6792 1 146 . . 6792 1 147 . . 6792 1 148 . . 6792 1 149 . . 6792 1 15 . . 6792 1 150 . . 6792 1 151 . . 6792 1 152 . . 6792 1 153 . . 6792 1 154 . . 6792 1 155 . . 6792 1 156 . . 6792 1 157 . . 6792 1 158 . . 6792 1 159 . . 6792 1 16 . . 6792 1 160 . . 6792 1 161 . . 6792 1 162 . . 6792 1 163 . . 6792 1 164 . . 6792 1 165 . . 6792 1 166 . . 6792 1 167 . . 6792 1 168 . . 6792 1 169 . . 6792 1 17 . . 6792 1 170 . . 6792 1 171 . . 6792 1 172 . . 6792 1 173 . . 6792 1 174 . . 6792 1 175 . . 6792 1 176 . . 6792 1 177 . . 6792 1 178 . . 6792 1 179 . . 6792 1 18 . . 6792 1 180 . . 6792 1 181 . . 6792 1 182 . . 6792 1 183 . . 6792 1 184 . . 6792 1 185 . . 6792 1 186 . . 6792 1 187 . . 6792 1 188 . . 6792 1 189 . . 6792 1 19 . . 6792 1 190 . . 6792 1 191 . . 6792 1 192 . . 6792 1 193 . . 6792 1 194 . . 6792 1 195 . . 6792 1 196 . . 6792 1 197 . . 6792 1 198 . . 6792 1 199 . . 6792 1 2 . . 6792 1 20 . . 6792 1 200 . . 6792 1 201 . . 6792 1 202 . . 6792 1 203 . . 6792 1 204 . . 6792 1 205 . . 6792 1 206 . . 6792 1 207 . . 6792 1 208 . . 6792 1 209 . . 6792 1 21 . . 6792 1 210 . . 6792 1 211 . . 6792 1 212 . . 6792 1 213 . . 6792 1 214 . . 6792 1 215 . . 6792 1 22 . . 6792 1 23 . . 6792 1 24 . . 6792 1 25 . . 6792 1 26 . . 6792 1 27 . . 6792 1 28 . . 6792 1 29 . . 6792 1 3 . . 6792 1 30 . . 6792 1 31 . . 6792 1 32 . . 6792 1 33 . . 6792 1 34 . . 6792 1 35 . . 6792 1 36 . . 6792 1 37 . . 6792 1 38 . . 6792 1 39 . . 6792 1 4 . . 6792 1 40 . . 6792 1 41 . . 6792 1 42 . . 6792 1 43 . . 6792 1 44 . . 6792 1 45 . . 6792 1 46 . . 6792 1 47 . . 6792 1 48 . . 6792 1 49 . . 6792 1 5 . . 6792 1 50 . . 6792 1 51 . . 6792 1 52 . . 6792 1 53 . . 6792 1 54 . . 6792 1 55 . . 6792 1 56 . . 6792 1 57 . . 6792 1 58 . . 6792 1 59 . . 6792 1 6 . . 6792 1 60 . . 6792 1 61 . . 6792 1 62 . . 6792 1 63 . . 6792 1 64 . . 6792 1 65 . . 6792 1 66 . . 6792 1 67 . . 6792 1 68 . . 6792 1 69 . . 6792 1 7 . . 6792 1 70 . . 6792 1 71 . . 6792 1 72 . . 6792 1 73 . . 6792 1 74 . . 6792 1 75 . . 6792 1 76 . . 6792 1 77 . . 6792 1 78 . . 6792 1 79 . . 6792 1 8 . . 6792 1 80 . . 6792 1 81 . . 6792 1 82 . . 6792 1 83 . . 6792 1 84 . . 6792 1 85 . . 6792 1 86 . . 6792 1 87 . . 6792 1 88 . . 6792 1 89 . . 6792 1 9 . . 6792 1 90 . . 6792 1 91 . . 6792 1 92 . . 6792 1 93 . . 6792 1 94 . . 6792 1 95 . . 6792 1 96 . . 6792 1 97 . . 6792 1 98 . . 6792 1 99 . . 6792 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 32.45 . volume 6792 1 2 9.659 . volume 6792 1 3 1.327 . volume 6792 1 4 0.823 . volume 6792 1 5 6.307 . volume 6792 1 6 12.89 . volume 6792 1 7 6.186 . volume 6792 1 8 1.056 . volume 6792 1 9 1.826 . volume 6792 1 10 0.8693 . volume 6792 1 11 4.559 . volume 6792 1 12 0.3156 . volume 6792 1 13 10.46 . volume 6792 1 14 13.34 . volume 6792 1 15 0.6241 . volume 6792 1 16 1.033 . volume 6792 1 17 4.556 . volume 6792 1 18 2.447 . volume 6792 1 19 2.795 . volume 6792 1 20 7.868 . volume 6792 1 21 5.721 . volume 6792 1 22 5.705 . volume 6792 1 23 2.26 . volume 6792 1 24 4.205 . volume 6792 1 25 5.054 . volume 6792 1 26 7.072 . volume 6792 1 27 0.107 . volume 6792 1 28 0.4962 . volume 6792 1 29 0.8024 . volume 6792 1 30 1.427 . volume 6792 1 31 25.55 . volume 6792 1 32 0.3545 . volume 6792 1 33 0.2394 . volume 6792 1 34 25.05 . volume 6792 1 35 9.347 . volume 6792 1 36 9.863 . volume 6792 1 37 4.298 . volume 6792 1 38 6.653 . volume 6792 1 39 2.423 . volume 6792 1 40 2.213 . volume 6792 1 41 1.897 . volume 6792 1 42 0.3561 . volume 6792 1 43 0.3818 . volume 6792 1 44 0.8707 . volume 6792 1 45 0.2366 . volume 6792 1 46 0.1316 . volume 6792 1 47 0.1993 . volume 6792 1 48 0.4602 . volume 6792 1 49 2.119 . volume 6792 1 50 0.1823 . volume 6792 1 51 0.8562 . volume 6792 1 52 0.1322 . volume 6792 1 53 0.1237 . volume 6792 1 54 0.1303 . volume 6792 1 55 0.2362 . volume 6792 1 56 0.1234 . volume 6792 1 57 1.346 . volume 6792 1 58 0.3293 . volume 6792 1 59 12.18 . volume 6792 1 60 3.36 . volume 6792 1 61 3.277 . volume 6792 1 62 2.987 . volume 6792 1 63 16.49 . volume 6792 1 64 17.5 . volume 6792 1 65 7.47 . volume 6792 1 66 0.571 . volume 6792 1 67 0.1251 . volume 6792 1 68 1.294 . volume 6792 1 69 1.786 . volume 6792 1 70 9.374 . volume 6792 1 71 0.6148 . volume 6792 1 72 0.1318 . volume 6792 1 73 0.3556 . volume 6792 1 74 10.15 . volume 6792 1 75 30.03 . volume 6792 1 76 3.592 . volume 6792 1 77 78.09 . volume 6792 1 78 50.89 . volume 6792 1 79 57.68 . volume 6792 1 80 2.031 . volume 6792 1 81 0.0 . volume 6792 1 82 0.3281 . volume 6792 1 83 0.0 . volume 6792 1 84 0.0 . volume 6792 1 85 0.4304 . volume 6792 1 86 25.26 . volume 6792 1 87 10.94 . volume 6792 1 88 6.136 . volume 6792 1 89 10.15 . volume 6792 1 90 6.658 . volume 6792 1 91 9.91 . volume 6792 1 92 0.5871 . volume 6792 1 93 9.409 . volume 6792 1 94 8.902 . volume 6792 1 95 1.165 . volume 6792 1 96 1.029 . volume 6792 1 97 0.3624 . volume 6792 1 98 3.462 . volume 6792 1 99 1.343 . volume 6792 1 100 12.53 . volume 6792 1 101 6.464 . volume 6792 1 102 0.2192 . volume 6792 1 103 2.693 . volume 6792 1 104 69.24 . volume 6792 1 105 6.024 . volume 6792 1 106 1.266 . volume 6792 1 107 9.882 . volume 6792 1 108 6.469 . volume 6792 1 109 14.19 . volume 6792 1 110 13.93 . volume 6792 1 111 1.278 . volume 6792 1 112 10.12 . volume 6792 1 113 12.52 . volume 6792 1 114 10.64 . volume 6792 1 115 3.638 . volume 6792 1 116 3.803 . volume 6792 1 117 2.273 . volume 6792 1 118 3.366 . volume 6792 1 119 5.213 . volume 6792 1 120 1.308 . volume 6792 1 121 4.005 . volume 6792 1 122 5.336 . volume 6792 1 123 3.829 . volume 6792 1 124 2.103 . volume 6792 1 125 2.441 . volume 6792 1 126 1.151 . volume 6792 1 127 0.2338 . volume 6792 1 128 1.07 . volume 6792 1 129 0.2575 . volume 6792 1 130 0.8893 . volume 6792 1 131 0.0 . volume 6792 1 132 10.97 . volume 6792 1 133 1.021 . volume 6792 1 134 1.337 . volume 6792 1 135 1.099 . volume 6792 1 136 9.571 . volume 6792 1 137 0.194 . volume 6792 1 138 3.678 . volume 6792 1 139 0.4929 . volume 6792 1 140 0.2078 . volume 6792 1 141 0.6299 . volume 6792 1 142 0.0936 . volume 6792 1 143 8.48 . volume 6792 1 144 0.6205 . volume 6792 1 145 11.97 . volume 6792 1 146 4.899 . volume 6792 1 147 18.23 . volume 6792 1 148 21.0 . volume 6792 1 149 43.41 . volume 6792 1 150 14.3 . volume 6792 1 151 13.58 . volume 6792 1 152 39.98 . volume 6792 1 153 34.79 . volume 6792 1 154 0.1095 . volume 6792 1 155 4.322 . volume 6792 1 156 146.3 . volume 6792 1 157 256.3 . volume 6792 1 158 189.0 . volume 6792 1 159 60.51 . volume 6792 1 160 110.8 . volume 6792 1 161 522.6 . volume 6792 1 162 460.6 . volume 6792 1 163 89.61 . volume 6792 1 164 119.5 . volume 6792 1 165 66.07 . volume 6792 1 166 9.251 . volume 6792 1 167 44.53 . volume 6792 1 168 46.8 . volume 6792 1 169 12.92 . volume 6792 1 170 3.074 . volume 6792 1 171 6.272 . volume 6792 1 172 4.472 . volume 6792 1 173 4.669 . volume 6792 1 174 2.729 . volume 6792 1 175 4.069 . volume 6792 1 176 54.18 . volume 6792 1 177 54.18 . volume 6792 1 178 7.879 . volume 6792 1 179 0.9697 . volume 6792 1 180 0.1564 . volume 6792 1 181 1.004 . volume 6792 1 182 1.94 . volume 6792 1 183 0.5659 . volume 6792 1 184 0.2438 . volume 6792 1 185 0.318 . volume 6792 1 186 0.1613 . volume 6792 1 187 0.3481 . volume 6792 1 188 0.4688 . volume 6792 1 189 0.2983 . volume 6792 1 190 0.2102 . volume 6792 1 191 0.4578 . volume 6792 1 192 1.635 . volume 6792 1 193 0.1154 . volume 6792 1 194 0.1273 . volume 6792 1 195 2.401 . volume 6792 1 196 0.2113 . volume 6792 1 197 0.3089 . volume 6792 1 198 0.1129 . volume 6792 1 199 0.1292 . volume 6792 1 200 0.1328 . volume 6792 1 201 0.1095 . volume 6792 1 202 0.3337 . volume 6792 1 203 0.2105 . volume 6792 1 204 0.1385 . volume 6792 1 205 0.1877 . volume 6792 1 206 0.475 . volume 6792 1 207 0.4128 . volume 6792 1 208 0.4022 . volume 6792 1 209 0.1143 . volume 6792 1 210 0.1212 . volume 6792 1 211 0.1166 . volume 6792 1 212 0.1637 . volume 6792 1 213 0.1502 . volume 6792 1 214 0.1769 . volume 6792 1 215 4.053 . volume 6792 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 7.841 . . . . . . . . . . . . . 6792 1 1 2 3.08 . . . . . . . . . . . . . 6792 1 2 1 7.692 . . . . . . . . . . . . . 6792 1 2 2 1.565 . . . . . . . . . . . . . 6792 1 3 1 7.691 . . . . . . . . . . . . . 6792 1 3 2 0.937 . . . . . . . . . . . . . 6792 1 4 1 7.691 . . . . . . . . . . . . . 6792 1 4 2 0.9 . . . . . . . . . . . . . 6792 1 5 1 7.703 . . . . . . . . . . . . . 6792 1 5 2 4.429 . . . . . . . . . . . . . 6792 1 6 1 7.702 . . . . . . . . . . . . . 6792 1 6 2 2.889 . . . . . . . . . . . . . 6792 1 7 1 7.73 . . . . . . . . . . . . . 6792 1 7 2 4.362 . . . . . . . . . . . . . 6792 1 8 1 7.734 . . . . . . . . . . . . . 6792 1 8 2 3.757 . . . . . . . . . . . . . 6792 1 9 1 7.736 . . . . . . . . . . . . . 6792 1 9 2 3.697 . . . . . . . . . . . . . 6792 1 10 1 8.462 . . . . . . . . . . . . . 6792 1 10 2 4.07 . . . . . . . . . . . . . 6792 1 11 1 8.238 . . . . . . . . . . . . . 6792 1 11 2 4.186 . . . . . . . . . . . . . 6792 1 12 1 8.217 . . . . . . . . . . . . . 6792 1 12 2 3.871 . . . . . . . . . . . . . 6792 1 13 1 8.242 . . . . . . . . . . . . . 6792 1 13 2 1.603 . . . . . . . . . . . . . 6792 1 14 1 8.242 . . . . . . . . . . . . . 6792 1 14 2 1.456 . . . . . . . . . . . . . 6792 1 15 1 8.242 . . . . . . . . . . . . . 6792 1 15 2 0.909 . . . . . . . . . . . . . 6792 1 16 1 8.242 . . . . . . . . . . . . . 6792 1 16 2 0.841 . . . . . . . . . . . . . 6792 1 17 1 8.208 . . . . . . . . . . . . . 6792 1 17 2 4.467 . . . . . . . . . . . . . 6792 1 18 1 8.076 . . . . . . . . . . . . . 6792 1 18 2 3.907 . . . . . . . . . . . . . 6792 1 19 1 8.461 . . . . . . . . . . . . . 6792 1 19 2 8.214 . . . . . . . . . . . . . 6792 1 20 1 8.242 . . . . . . . . . . . . . 6792 1 20 2 7.7 . . . . . . . . . . . . . 6792 1 21 1 8.076 . . . . . . . . . . . . . 6792 1 21 2 7.84 . . . . . . . . . . . . . 6792 1 22 1 8.076 . . . . . . . . . . . . . 6792 1 22 2 7.693 . . . . . . . . . . . . . 6792 1 23 1 8.076 . . . . . . . . . . . . . 6792 1 23 2 7.299 . . . . . . . . . . . . . 6792 1 24 1 7.841 . . . . . . . . . . . . . 6792 1 24 2 7.733 . . . . . . . . . . . . . 6792 1 25 1 7.84 . . . . . . . . . . . . . 6792 1 25 2 7.708 . . . . . . . . . . . . . 6792 1 26 1 7.84 . . . . . . . . . . . . . 6792 1 26 2 7.298 . . . . . . . . . . . . . 6792 1 27 1 7.844 . . . . . . . . . . . . . 6792 1 27 2 6.995 . . . . . . . . . . . . . 6792 1 28 1 7.702 . . . . . . . . . . . . . 6792 1 28 2 6.997 . . . . . . . . . . . . . 6792 1 29 1 7.7 . . . . . . . . . . . . . 6792 1 29 2 7.296 . . . . . . . . . . . . . 6792 1 30 1 7.689 . . . . . . . . . . . . . 6792 1 30 2 7.454 . . . . . . . . . . . . . 6792 1 31 1 7.456 . . . . . . . . . . . . . 6792 1 31 2 6.883 . . . . . . . . . . . . . 6792 1 32 1 7.298 . . . . . . . . . . . . . 6792 1 32 2 6.766 . . . . . . . . . . . . . 6792 1 33 1 7.298 . . . . . . . . . . . . . 6792 1 33 2 6.999 . . . . . . . . . . . . . 6792 1 34 1 7.28 . . . . . . . . . . . . . 6792 1 34 2 7.174 . . . . . . . . . . . . . 6792 1 35 1 6.993 . . . . . . . . . . . . . 6792 1 35 2 6.768 . . . . . . . . . . . . . 6792 1 36 1 7.298 . . . . . . . . . . . . . 6792 1 36 2 4.549 . . . . . . . . . . . . . 6792 1 37 1 7.454 . . . . . . . . . . . . . 6792 1 37 2 4.297 . . . . . . . . . . . . . 6792 1 38 1 7.298 . . . . . . . . . . . . . 6792 1 38 2 3.251 . . . . . . . . . . . . . 6792 1 39 1 7.306 . . . . . . . . . . . . . 6792 1 39 2 3.084 . . . . . . . . . . . . . 6792 1 40 1 6.988 . . . . . . . . . . . . . 6792 1 40 2 2.897 . . . . . . . . . . . . . 6792 1 41 1 7.005 . . . . . . . . . . . . . 6792 1 41 2 4.428 . . . . . . . . . . . . . 6792 1 42 1 6.774 . . . . . . . . . . . . . 6792 1 42 2 4.426 . . . . . . . . . . . . . 6792 1 43 1 6.774 . . . . . . . . . . . . . 6792 1 43 2 2.895 . . . . . . . . . . . . . 6792 1 44 1 7.298 . . . . . . . . . . . . . 6792 1 44 2 0.938 . . . . . . . . . . . . . 6792 1 45 1 6.757 . . . . . . . . . . . . . 6792 1 45 2 0.841 . . . . . . . . . . . . . 6792 1 46 1 6.988 . . . . . . . . . . . . . 6792 1 46 2 1.447 . . . . . . . . . . . . . 6792 1 47 1 6.987 . . . . . . . . . . . . . 6792 1 47 2 1.631 . . . . . . . . . . . . . 6792 1 48 1 7.73 . . . . . . . . . . . . . 6792 1 48 2 6.995 . . . . . . . . . . . . . 6792 1 49 1 7.735 . . . . . . . . . . . . . 6792 1 49 2 7.291 . . . . . . . . . . . . . 6792 1 50 1 6.758 . . . . . . . . . . . . . 6792 1 50 2 0.909 . . . . . . . . . . . . . 6792 1 51 1 7.455 . . . . . . . . . . . . . 6792 1 51 2 1.558 . . . . . . . . . . . . . 6792 1 52 1 7.298 . . . . . . . . . . . . . 6792 1 52 2 2.887 . . . . . . . . . . . . . 6792 1 53 1 7.005 . . . . . . . . . . . . . 6792 1 53 2 0.907 . . . . . . . . . . . . . 6792 1 54 1 6.989 . . . . . . . . . . . . . 6792 1 54 2 0.841 . . . . . . . . . . . . . 6792 1 55 1 6.774 . . . . . . . . . . . . . 6792 1 55 2 4.544 . . . . . . . . . . . . . 6792 1 56 1 6.775 . . . . . . . . . . . . . 6792 1 56 2 1.587 . . . . . . . . . . . . . 6792 1 57 1 7.69 . . . . . . . . . . . . . 6792 1 57 2 3.086 . . . . . . . . . . . . . 6792 1 58 1 7.689 . . . . . . . . . . . . . 6792 1 58 2 3.24 . . . . . . . . . . . . . 6792 1 59 1 7.689 . . . . . . . . . . . . . 6792 1 59 2 3.908 . . . . . . . . . . . . . 6792 1 60 1 7.839 . . . . . . . . . . . . . 6792 1 60 2 3.711 . . . . . . . . . . . . . 6792 1 61 1 8.077 . . . . . . . . . . . . . 6792 1 61 2 3.23 . . . . . . . . . . . . . 6792 1 62 1 8.076 . . . . . . . . . . . . . 6792 1 62 2 3.081 . . . . . . . . . . . . . 6792 1 63 1 8.076 . . . . . . . . . . . . . 6792 1 63 2 4.548 . . . . . . . . . . . . . 6792 1 64 1 3.252 . . . . . . . . . . . . . 6792 1 64 2 3.081 . . . . . . . . . . . . . 6792 1 65 1 7.707 . . . . . . . . . . . . . 6792 1 65 2 4.187 . . . . . . . . . . . . . 6792 1 66 1 7.834 . . . . . . . . . . . . . 6792 1 66 2 2.898 . . . . . . . . . . . . . 6792 1 67 1 8.231 . . . . . . . . . . . . . 6792 1 67 2 6.993 . . . . . . . . . . . . . 6792 1 68 1 7.298 . . . . . . . . . . . . . 6792 1 68 2 4.187 . . . . . . . . . . . . . 6792 1 69 1 7.298 . . . . . . . . . . . . . 6792 1 69 2 4.363 . . . . . . . . . . . . . 6792 1 70 1 7.834 . . . . . . . . . . . . . 6792 1 70 2 4.362 . . . . . . . . . . . . . 6792 1 71 1 6.884 . . . . . . . . . . . . . 6792 1 71 2 1.56 . . . . . . . . . . . . . 6792 1 72 1 7.696 . . . . . . . . . . . . . 6792 1 72 2 6.769 . . . . . . . . . . . . . 6792 1 73 1 7.701 . . . . . . . . . . . . . 6792 1 73 2 6.886 . . . . . . . . . . . . . 6792 1 74 1 4.097 . . . . . . . . . . . . . 6792 1 74 2 4.077 . . . . . . . . . . . . . 6792 1 75 1 3.908 . . . . . . . . . . . . . 6792 1 75 2 3.872 . . . . . . . . . . . . . 6792 1 76 1 3.959 . . . . . . . . . . . . . 6792 1 76 2 3.919 . . . . . . . . . . . . . 6792 1 77 1 1.711 . . . . . . . . . . . . . 6792 1 77 2 1.561 . . . . . . . . . . . . . 6792 1 78 1 1.711 . . . . . . . . . . . . . 6792 1 78 2 1.709 . . . . . . . . . . . . . 6792 1 79 1 1.603 . . . . . . . . . . . . . 6792 1 79 2 1.44 . . . . . . . . . . . . . 6792 1 80 1 4.185 . . . . . . . . . . . . . 6792 1 80 2 1.45 . . . . . . . . . . . . . 6792 1 81 1 3.079 . . . . . . . . . . . . . 6792 1 81 2 1.672 . . . . . . . . . . . . . 6792 1 82 1 3.257 . . . . . . . . . . . . . 6792 1 82 2 0.936 . . . . . . . . . . . . . 6792 1 83 1 1.627 . . . . . . . . . . . . . 6792 1 83 2 4.183 . . . . . . . . . . . . . 6792 1 84 1 3.082 . . . . . . . . . . . . . 6792 1 84 2 0.935 . . . . . . . . . . . . . 6792 1 85 1 0.926 . . . . . . . . . . . . . 6792 1 85 2 3.258 . . . . . . . . . . . . . 6792 1 86 1 2.868 . . . . . . . . . . . . . 6792 1 86 2 4.428 . . . . . . . . . . . . . 6792 1 87 1 3.082 . . . . . . . . . . . . . 6792 1 87 2 4.548 . . . . . . . . . . . . . 6792 1 88 1 3.254 . . . . . . . . . . . . . 6792 1 88 2 4.548 . . . . . . . . . . . . . 6792 1 89 1 3.714 . . . . . . . . . . . . . 6792 1 89 2 4.362 . . . . . . . . . . . . . 6792 1 90 1 3.861 . . . . . . . . . . . . . 6792 1 90 2 4.469 . . . . . . . . . . . . . 6792 1 91 1 1.56 . . . . . . . . . . . . . 6792 1 91 2 4.293 . . . . . . . . . . . . . 6792 1 92 1 1.639 . . . . . . . . . . . . . 6792 1 92 2 3.922 . . . . . . . . . . . . . 6792 1 93 1 0.834 . . . . . . . . . . . . . 6792 1 93 2 4.185 . . . . . . . . . . . . . 6792 1 94 1 0.886 . . . . . . . . . . . . . 6792 1 94 2 1.669 . . . . . . . . . . . . . 6792 1 95 1 0.932 . . . . . . . . . . . . . 6792 1 95 2 3.073 . . . . . . . . . . . . . 6792 1 96 1 0.891 . . . . . . . . . . . . . 6792 1 96 2 3.924 . . . . . . . . . . . . . 6792 1 97 1 0.944 . . . . . . . . . . . . . 6792 1 97 2 3.856 . . . . . . . . . . . . . 6792 1 98 1 7.835 . . . . . . . . . . . . . 6792 1 98 2 8.076 . . . . . . . . . . . . . 6792 1 99 1 7.701 . . . . . . . . . . . . . 6792 1 99 2 8.076 . . . . . . . . . . . . . 6792 1 100 1 7.729 . . . . . . . . . . . . . 6792 1 100 2 7.84 . . . . . . . . . . . . . 6792 1 101 1 7.298 . . . . . . . . . . . . . 6792 1 101 2 7.84 . . . . . . . . . . . . . 6792 1 102 1 6.775 . . . . . . . . . . . . . 6792 1 102 2 7.297 . . . . . . . . . . . . . 6792 1 103 1 7.456 . . . . . . . . . . . . . 6792 1 103 2 7.692 . . . . . . . . . . . . . 6792 1 104 1 6.884 . . . . . . . . . . . . . 6792 1 104 2 7.455 . . . . . . . . . . . . . 6792 1 105 1 6.767 . . . . . . . . . . . . . 6792 1 105 2 6.99 . . . . . . . . . . . . . 6792 1 106 1 2.891 . . . . . . . . . . . . . 6792 1 106 2 6.996 . . . . . . . . . . . . . 6792 1 107 1 3.081 . . . . . . . . . . . . . 6792 1 107 2 7.298 . . . . . . . . . . . . . 6792 1 108 1 3.252 . . . . . . . . . . . . . 6792 1 108 2 7.298 . . . . . . . . . . . . . 6792 1 109 1 2.889 . . . . . . . . . . . . . 6792 1 109 2 7.701 . . . . . . . . . . . . . 6792 1 110 1 1.711 . . . . . . . . . . . . . 6792 1 110 2 7.693 . . . . . . . . . . . . . 6792 1 111 1 0.926 . . . . . . . . . . . . . 6792 1 111 2 7.696 . . . . . . . . . . . . . 6792 1 112 1 1.605 . . . . . . . . . . . . . 6792 1 112 2 8.237 . . . . . . . . . . . . . 6792 1 113 1 3.082 . . . . . . . . . . . . . 6792 1 113 2 7.84 . . . . . . . . . . . . . 6792 1 114 1 3.253 . . . . . . . . . . . . . 6792 1 114 2 7.84 . . . . . . . . . . . . . 6792 1 115 1 3.233 . . . . . . . . . . . . . 6792 1 115 2 8.075 . . . . . . . . . . . . . 6792 1 116 1 3.892 . . . . . . . . . . . . . 6792 1 116 2 8.075 . . . . . . . . . . . . . 6792 1 117 1 4.075 . . . . . . . . . . . . . 6792 1 117 2 8.216 . . . . . . . . . . . . . 6792 1 118 1 3.913 . . . . . . . . . . . . . 6792 1 118 2 7.694 . . . . . . . . . . . . . 6792 1 119 1 3.713 . . . . . . . . . . . . . 6792 1 119 2 7.735 . . . . . . . . . . . . . 6792 1 120 1 4.086 . . . . . . . . . . . . . 6792 1 120 2 8.466 . . . . . . . . . . . . . 6792 1 121 1 8.208 . . . . . . . . . . . . . 6792 1 121 2 8.461 . . . . . . . . . . . . . 6792 1 122 1 3.891 . . . . . . . . . . . . . 6792 1 122 2 8.219 . . . . . . . . . . . . . 6792 1 123 1 1.461 . . . . . . . . . . . . . 6792 1 123 2 8.237 . . . . . . . . . . . . . 6792 1 124 1 1.438 . . . . . . . . . . . . . 6792 1 124 2 7.699 . . . . . . . . . . . . . 6792 1 125 1 0.9 . . . . . . . . . . . . . 6792 1 125 2 8.236 . . . . . . . . . . . . . 6792 1 126 1 7.298 . . . . . . . . . . . . . 6792 1 126 2 8.07 . . . . . . . . . . . . . 6792 1 127 1 6.989 . . . . . . . . . . . . . 6792 1 127 2 7.843 . . . . . . . . . . . . . 6792 1 128 1 6.988 . . . . . . . . . . . . . 6792 1 128 2 7.701 . . . . . . . . . . . . . 6792 1 129 1 6.763 . . . . . . . . . . . . . 6792 1 129 2 7.699 . . . . . . . . . . . . . 6792 1 130 1 3.084 . . . . . . . . . . . . . 6792 1 130 2 7.691 . . . . . . . . . . . . . 6792 1 131 1 4.195 . . . . . . . . . . . . . 6792 1 131 2 7.702 . . . . . . . . . . . . . 6792 1 132 1 7.696 . . . . . . . . . . . . . 6792 1 132 2 8.236 . . . . . . . . . . . . . 6792 1 133 1 7.298 . . . . . . . . . . . . . 6792 1 133 2 7.732 . . . . . . . . . . . . . 6792 1 134 1 3.758 . . . . . . . . . . . . . 6792 1 134 2 7.839 . . . . . . . . . . . . . 6792 1 135 1 4.196 . . . . . . . . . . . . . 6792 1 135 2 8.235 . . . . . . . . . . . . . 6792 1 136 1 1.45 . . . . . . . . . . . . . 6792 1 136 2 4.187 . . . . . . . . . . . . . 6792 1 137 1 7.005 . . . . . . . . . . . . . 6792 1 137 2 4.362 . . . . . . . . . . . . . 6792 1 138 1 3.082 . . . . . . . . . . . . . 6792 1 138 2 8.075 . . . . . . . . . . . . . 6792 1 139 1 2.912 . . . . . . . . . . . . . 6792 1 139 2 7.839 . . . . . . . . . . . . . 6792 1 140 1 2.893 . . . . . . . . . . . . . 6792 1 140 2 7.294 . . . . . . . . . . . . . 6792 1 141 1 3.7 . . . . . . . . . . . . . 6792 1 141 2 7.296 . . . . . . . . . . . . . 6792 1 142 1 2.898 . . . . . . . . . . . . . 6792 1 142 2 6.772 . . . . . . . . . . . . . 6792 1 143 1 7.834 . . . . . . . . . . . . . 6792 1 143 2 4.548 . . . . . . . . . . . . . 6792 1 144 1 7.69 . . . . . . . . . . . . . 6792 1 144 2 4.548 . . . . . . . . . . . . . 6792 1 145 1 7.688 . . . . . . . . . . . . . 6792 1 145 2 4.294 . . . . . . . . . . . . . 6792 1 146 1 8.216 . . . . . . . . . . . . . 6792 1 146 2 4.078 . . . . . . . . . . . . . 6792 1 147 1 7.688 . . . . . . . . . . . . . 6792 1 147 2 1.71 . . . . . . . . . . . . . 6792 1 148 1 3.082 . . . . . . . . . . . . . 6792 1 148 2 3.243 . . . . . . . . . . . . . 6792 1 149 1 2.842 . . . . . . . . . . . . . 6792 1 149 2 2.893 . . . . . . . . . . . . . 6792 1 150 1 3.873 . . . . . . . . . . . . . 6792 1 150 2 3.915 . . . . . . . . . . . . . 6792 1 151 1 4.064 . . . . . . . . . . . . . 6792 1 151 2 4.092 . . . . . . . . . . . . . 6792 1 152 1 1.56 . . . . . . . . . . . . . 6792 1 152 2 1.711 . . . . . . . . . . . . . 6792 1 153 1 1.45 . . . . . . . . . . . . . 6792 1 153 2 1.626 . . . . . . . . . . . . . 6792 1 154 1 1.674 . . . . . . . . . . . . . 6792 1 154 2 3.084 . . . . . . . . . . . . . 6792 1 155 1 7.707 . . . . . . . . . . . . . 6792 1 155 2 1.447 . . . . . . . . . . . . . 6792 1 156 1 8.462 . . . . . . . . . . . . . 6792 1 156 2 8.461 . . . . . . . . . . . . . 6792 1 157 1 8.244 . . . . . . . . . . . . . 6792 1 157 2 8.239 . . . . . . . . . . . . . 6792 1 158 1 8.076 . . . . . . . . . . . . . 6792 1 158 2 8.075 . . . . . . . . . . . . . 6792 1 159 1 7.843 . . . . . . . . . . . . . 6792 1 159 2 7.839 . . . . . . . . . . . . . 6792 1 160 1 7.741 . . . . . . . . . . . . . 6792 1 160 2 7.734 . . . . . . . . . . . . . 6792 1 161 1 7.701 . . . . . . . . . . . . . 6792 1 161 2 7.696 . . . . . . . . . . . . . 6792 1 162 1 7.297 . . . . . . . . . . . . . 6792 1 162 2 7.296 . . . . . . . . . . . . . 6792 1 163 1 7.455 . . . . . . . . . . . . . 6792 1 163 2 7.454 . . . . . . . . . . . . . 6792 1 164 1 7.173 . . . . . . . . . . . . . 6792 1 164 2 7.173 . . . . . . . . . . . . . 6792 1 165 1 6.758 . . . . . . . . . . . . . 6792 1 165 2 6.766 . . . . . . . . . . . . . 6792 1 166 1 1.56 . . . . . . . . . . . . . 6792 1 166 2 7.693 . . . . . . . . . . . . . 6792 1 167 1 3.253 . . . . . . . . . . . . . 6792 1 167 2 3.232 . . . . . . . . . . . . . 6792 1 168 1 3.233 . . . . . . . . . . . . . 6792 1 168 2 3.252 . . . . . . . . . . . . . 6792 1 169 1 1.711 . . . . . . . . . . . . . 6792 1 169 2 0.936 . . . . . . . . . . . . . 6792 1 170 1 1.438 . . . . . . . . . . . . . 6792 1 170 2 0.84 . . . . . . . . . . . . . 6792 1 171 1 1.626 . . . . . . . . . . . . . 6792 1 171 2 0.842 . . . . . . . . . . . . . 6792 1 172 1 1.45 . . . . . . . . . . . . . 6792 1 172 2 0.908 . . . . . . . . . . . . . 6792 1 173 1 0.834 . . . . . . . . . . . . . 6792 1 173 2 1.447 . . . . . . . . . . . . . 6792 1 174 1 0.927 . . . . . . . . . . . . . 6792 1 174 2 1.555 . . . . . . . . . . . . . 6792 1 175 1 0.834 . . . . . . . . . . . . . 6792 1 175 2 1.635 . . . . . . . . . . . . . 6792 1 176 1 8.081 . . . . . . . . . . . . . 6792 1 176 2 8.081 . . . . . . . . . . . . . 6792 1 177 1 8.081 . . . . . . . . . . . . . 6792 1 177 2 8.081 . . . . . . . . . . . . . 6792 1 178 1 7.736 . . . . . . . . . . . . . 6792 1 178 2 4.428 . . . . . . . . . . . . . 6792 1 179 1 7.834 . . . . . . . . . . . . . 6792 1 179 2 4.431 . . . . . . . . . . . . . 6792 1 180 1 7.005 . . . . . . . . . . . . . 6792 1 180 2 7.291 . . . . . . . . . . . . . 6792 1 181 1 7.741 . . . . . . . . . . . . . 6792 1 181 2 7.696 . . . . . . . . . . . . . 6792 1 182 1 8.241 . . . . . . . . . . . . . 6792 1 182 2 4.47 . . . . . . . . . . . . . 6792 1 183 1 8.462 . . . . . . . . . . . . . 6792 1 183 2 3.928 . . . . . . . . . . . . . 6792 1 184 1 8.076 . . . . . . . . . . . . . 6792 1 184 2 4.364 . . . . . . . . . . . . . 6792 1 185 1 8.24 . . . . . . . . . . . . . 6792 1 185 2 4.075 . . . . . . . . . . . . . 6792 1 186 1 7.841 . . . . . . . . . . . . . 6792 1 186 2 3.753 . . . . . . . . . . . . . 6792 1 187 1 6.884 . . . . . . . . . . . . . 6792 1 187 2 4.295 . . . . . . . . . . . . . 6792 1 188 1 8.241 . . . . . . . . . . . . . 6792 1 188 2 3.877 . . . . . . . . . . . . . 6792 1 189 1 8.241 . . . . . . . . . . . . . 6792 1 189 2 4.425 . . . . . . . . . . . . . 6792 1 190 1 7.698 . . . . . . . . . . . . . 6792 1 190 2 3.707 . . . . . . . . . . . . . 6792 1 191 1 7.735 . . . . . . . . . . . . . 6792 1 191 2 2.896 . . . . . . . . . . . . . 6792 1 192 1 3.924 . . . . . . . . . . . . . 6792 1 192 2 3.958 . . . . . . . . . . . . . 6792 1 193 1 7.005 . . . . . . . . . . . . . 6792 1 193 2 1.454 . . . . . . . . . . . . . 6792 1 194 1 7.004 . . . . . . . . . . . . . 6792 1 194 2 1.63 . . . . . . . . . . . . . 6792 1 195 1 7.005 . . . . . . . . . . . . . 6792 1 195 2 2.897 . . . . . . . . . . . . . 6792 1 196 1 6.758 . . . . . . . . . . . . . 6792 1 196 2 4.544 . . . . . . . . . . . . . 6792 1 197 1 6.759 . . . . . . . . . . . . . 6792 1 197 2 4.422 . . . . . . . . . . . . . 6792 1 198 1 6.757 . . . . . . . . . . . . . 6792 1 198 2 4.299 . . . . . . . . . . . . . 6792 1 199 1 6.774 . . . . . . . . . . . . . 6792 1 199 2 4.3 . . . . . . . . . . . . . 6792 1 200 1 6.758 . . . . . . . . . . . . . 6792 1 200 2 4.185 . . . . . . . . . . . . . 6792 1 201 1 6.775 . . . . . . . . . . . . . 6792 1 201 2 4.186 . . . . . . . . . . . . . 6792 1 202 1 6.762 . . . . . . . . . . . . . 6792 1 202 2 2.889 . . . . . . . . . . . . . 6792 1 203 1 6.774 . . . . . . . . . . . . . 6792 1 203 2 0.839 . . . . . . . . . . . . . 6792 1 204 1 7.275 . . . . . . . . . . . . . 6792 1 204 2 6.997 . . . . . . . . . . . . . 6792 1 205 1 7.275 . . . . . . . . . . . . . 6792 1 205 2 6.764 . . . . . . . . . . . . . 6792 1 206 1 7.276 . . . . . . . . . . . . . 6792 1 206 2 4.549 . . . . . . . . . . . . . 6792 1 207 1 7.276 . . . . . . . . . . . . . 6792 1 207 2 3.231 . . . . . . . . . . . . . 6792 1 208 1 7.276 . . . . . . . . . . . . . 6792 1 208 2 3.08 . . . . . . . . . . . . . 6792 1 209 1 7.275 . . . . . . . . . . . . . 6792 1 209 2 2.888 . . . . . . . . . . . . . 6792 1 210 1 7.275 . . . . . . . . . . . . . 6792 1 210 2 0.901 . . . . . . . . . . . . . 6792 1 211 1 7.297 . . . . . . . . . . . . . 6792 1 211 2 0.899 . . . . . . . . . . . . . 6792 1 212 1 7.297 . . . . . . . . . . . . . 6792 1 212 2 0.84 . . . . . . . . . . . . . 6792 1 213 1 4.357 . . . . . . . . . . . . . 6792 1 213 2 7.84 . . . . . . . . . . . . . 6792 1 214 1 7.696 . . . . . . . . . . . . . 6792 1 214 2 0.84 . . . . . . . . . . . . . 6792 1 215 1 7.841 . . . . . . . . . . . . . 6792 1 215 2 3.24 . . . . . . . . . . . . . 6792 1 stop_ save_