data_bmse000013 save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID bmse000013 _Entry.Title D_galactose _Entry.Version_type update _Entry.Submission_date 2006-02-23 _Entry.Accession_date 2006-02-23 _Entry.Last_release_date 2012-10-17 _Entry.Original_release_date 2006-02-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.21 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ? _Entry.BMRB_internal_directory_name D_galactose 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 Francisca Jofre F. ? ? bmse000013 2 Mark Anderson M. E. ? bmse000013 3 John Markley J. L. ? bmse000013 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 metabolomics "Madison Metabolomics Consortium" MMC bmse000013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 bmse000013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID "13C chemical shifts" 36 bmse000013 "1H chemical shifts" 32 bmse000013 stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 2006-02-23 2006-02-23 original BMRB "Original spectra from MMC" bmse000013 2 2007-07-13 2007-07-16 update BMRB "_Chem_comp_atom loop added to chem_comp saveframe" bmse000013 3 2007-09-11 2007-09-11 update BMRB "STAR format corrections" bmse000013 4 2007-10-03 2007-10-03 update Author "Transitions and assignments provided by Gareth Westler" bmse000013 5 2008-03-17 2008-03-17 update BMRB "Added, optionally populated, loop value _Peak_char.Coupling_pattern" bmse000013 6 2008-04-24 2008-04-24 update BMRB "set _Peak_char.Type values to enumerated values" bmse000013 7 2008-10-21 2008-10-21 update BMRB "Added assembly and entity information" bmse000013 8 2008-11-03 2008-11-03 update BMRB "Altered tag names due to dictionary update" bmse000013 9 2009-07-20 2009-07-20 update BMRB "Updated the InChI string to match PubChem" bmse000013 10 2010-11-08 2010-11-08 update BMRB "Reset sweep widths to those found in parameter files" bmse000013 11 2010-11-09 2010-11-09 update BMRB "Set NMR_STAR_version to correct version" bmse000013 12 2010-11-30 2010-11-30 update BMRB "Added 2 PDB IDs to Chem_comp_db_link" bmse000013 13 2011-01-14 2011-01-14 update BMRB "Removed previous assigned chemical shifts and peak lists" bmse000013 14 2011-01-14 2011-01-14 update BMRB "Replaced spectral data with new data and images" bmse000013 15 2011-02-24 2011-02-24 update BMRB "Reprocessed assignments for new data" bmse000013 16 2011-04-04 2011-04-04 update BMRB "Added Provenance tag to chem_comp" bmse000013 17 2011-07-07 2011-07-07 update BMRB "Added or updated data for 1H at 0.5 and 2mM" bmse000013 18 2011-09-09 2011-09-09 update BMRB "Brought up to date with latest Dictionary" bmse000013 19 2011-12-14 2011-12-14 update BMRB "Set Assembly.Name to match Chem_comp.name" bmse000013 20 2012-07-16 2012-07-16 update BMRB "removed existing assignments, existing spectral peaks" bmse000013 21 2012-07-16 2012-07-16 update BMRB "Updating transitions; fixed peak description" bmse000013 22 2012-07-24 2012-07-24 update BMRB "Fixed potential erros in assigned chemical shifts" bmse000013 23 2012-07-26 2012-07-26 update BMRB "Added HSQC with short sweep widths to experiment list" bmse000013 24 2012-09-12 2012-09-12 update BMRB "Fixed erroneous sample label for 2mM 1H spectral loop" bmse000013 25 2012-09-13 2012-09-13 update BMRB "Added PubChem SID 85164866 to database loop" bmse000013 26 2012-09-18 2012-09-18 update BMRB "Fixed bad reference concentrations in sample loops" bmse000013 27 2012-10-17 2012-10-17 update BMRB "Set all _Chem_comp_SMILES Types to lower case" bmse000013 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID bmse000013 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.PubMed_ID 17170002 _Citation.Title 'Database resources of the National Center for Biotechnology Information.' _Citation.Status published _Citation.Type internet _Citation.WWW_URL http://pubchem.ncbi.nlm.nih.gov/ _Citation.Year 2006 _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 D. Wheeler D. L. ? bmse000013 1 2 T. Barrett T. ? ? bmse000013 1 3 D. Benson D. A. ? bmse000013 1 4 S. Bryant S. H. ? bmse000013 1 5 K. Canese K. ? ? bmse000013 1 6 V. Chetvenin V. ? ? bmse000013 1 7 D. Church D. M. ? bmse000013 1 8 M. DiCuccio M. ? ? bmse000013 1 9 R. Edgar R. ? ? bmse000013 1 10 S. Federhen S. ? ? bmse000013 1 11 L. Geer L. Y. ? bmse000013 1 12 W. Helmberg W. ? ? bmse000013 1 13 Y. Kapustin Y. ? ? bmse000013 1 14 D. Kenton D. L. ? bmse000013 1 15 O. Khovayko O. ? ? bmse000013 1 16 D. Lipman D. J. ? bmse000013 1 17 T. Madden T. L. ? bmse000013 1 18 D. Maglott D. R. ? bmse000013 1 19 J. Ostell J. ? ? bmse000013 1 20 K. Pruitt K. D. ? bmse000013 1 21 G. Schuler G. D. ? bmse000013 1 22 L. Schriml L. M. ? bmse000013 1 23 E. Sequeira E. ? ? bmse000013 1 24 S. Sherry S. T. ? bmse000013 1 25 K. Sirotkin K. ? ? bmse000013 1 26 A. Souvorov A. ? ? bmse000013 1 27 G. Starchenko G. ? ? bmse000013 1 28 T. Suzek T. O. ? bmse000013 1 29 R. Tatusov R. ? ? bmse000013 1 30 T. Tatusova T. A. ? bmse000013 1 31 L. Bagner L. ? ? bmse000013 1 32 E. Yaschenko E. ? ? bmse000013 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID bmse000013 _Assembly.ID 1 _Assembly.Name D-(+)-Galactose _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions ? _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _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 D_galactose 1 $D_galactose yes native no no . . . bmse000013 1 stop_ save_ save_D_galactose _Entity.Sf_category entity _Entity.Sf_framecode D_galactose _Entity.Entry_ID bmse000013 _Entity.ID 1 _Entity.BMRB_code ? _Entity.Name D-(+)-Galactose _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 $chem_comp_1 bmse000013 1 stop_ save_ 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 bmse000013 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $D_galactose . n/a "multiple natural sources" yes "not applicable" n/a . . n/a n/a n/a n/a . . . . . . . . . . . . . . . . . . . . . bmse000013 1 stop_ save_ 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 bmse000013 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $D_galactose . "chemical synthesis" . . . . . . . . . . . . . . . . . . . . . . . . . . . . . bmse000013 1 stop_ save_ save_chem_comp_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1 _Chem_comp.Entry_ID bmse000013 _Chem_comp.ID 1 _Chem_comp.Provenance PubChem _Chem_comp.Name D-(+)-Galactose _Chem_comp.Type non-polymer _Chem_comp.BMRB_code ? _Chem_comp.PDB_code ? _Chem_comp.InCHi_code ; InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 ; _Chem_comp.Mon_nstd_flag ? _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.Formal_charge ? _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O6' _Chem_comp.Formula_weight 180.1558800000 _Chem_comp.Formula_mono_iso_wt_nat 180.063388118 _Chem_comp.Formula_mono_iso_wt_13C 186.083517145 _Chem_comp.Formula_mono_iso_wt_15N 180.063388118 _Chem_comp.Formula_mono_iso_wt_13C_15N 186.083517145 _Chem_comp.Image_file_name standards/D_galactose/lit/4231.png _Chem_comp.Image_file_format png _Chem_comp.Topo_file_name ? _Chem_comp.Topo_file_format ? _Chem_comp.Struct_file_name standards/D_galactose/lit/4231.mol _Chem_comp.Struct_file_format mol _Chem_comp.Stereochem_param_file_name ? _Chem_comp.Details ? _Chem_comp.DB_query_date ? _Chem_comp.DB_last_query_revised_last_date ? loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID alpha-D-Galactose synonym bmse000013 1 stop_ loop_ _Chem_comp_systematic_name.Name _Chem_comp_systematic_name.Naming_system _Chem_comp_systematic_name.Entry_ID _Chem_comp_systematic_name.Comp_ID (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol IUPAC bmse000013 1 (2S,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol IUPAC_TRADITIONAL bmse000013 1 (2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol IUPAC_CAS bmse000013 1 (2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol IUPAC_OPENEYE bmse000013 1 stop_ loop_ _Chem_comp_SMILES.Type _Chem_comp_SMILES.String _Chem_comp_SMILES.Entry_ID _Chem_comp_SMILES.Comp_ID isomeric C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O bmse000013 1 canonical C(C1C(C(C(C(O1)O)O)O)O)O bmse000013 1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C ? ? ? ? 3.4030 0.5000 bmse000013 1 C2 C ? ? ? ? 3.4030 -0.5000 bmse000013 1 C3 C ? ? ? ? 4.2690 -1.0000 bmse000013 1 C4 C ? ? ? ? 5.1350 -0.5000 bmse000013 1 C5 C ? ? ? ? 5.1350 0.5000 bmse000013 1 C6 C ? ? ? ? 6.0010 1.0000 bmse000013 1 O7 O ? ? ? ? 2.5369 1.0000 bmse000013 1 O8 O ? ? ? ? 2.5369 -1.0000 bmse000013 1 O9 O ? ? ? ? 4.2690 -2.0000 bmse000013 1 O10 O ? ? ? ? 6.0010 -1.0000 bmse000013 1 O11 O ? ? ? ? 4.2690 1.0000 bmse000013 1 O12 O ? ? ? ? 6.0010 2.0000 bmse000013 1 H13 H ? ? ? ? 2.8660 0.1900 bmse000013 1 H14 H ? ? ? ? 3.4030 -1.1200 bmse000013 1 H15 H ? ? ? ? 4.8059 -1.3100 bmse000013 1 H16 H ? ? ? ? 5.1350 -1.1200 bmse000013 1 H17 H ? ? ? ? 5.1350 1.1200 bmse000013 1 H18 H ? ? ? ? 6.2131 0.4174 bmse000013 1 H19 H ? ? ? ? 6.6116 1.1077 bmse000013 1 H20 H ? ? ? ? 2.5369 1.6200 bmse000013 1 H21 H ? ? ? ? 2.0000 -0.6900 bmse000013 1 H22 H ? ? ? ? 3.7321 -2.3100 bmse000013 1 H23 H ? ? ? ? 6.5380 -0.6900 bmse000013 1 H24 H ? ? ? ? 6.5380 2.3100 bmse000013 1 stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID C1 C1 BMRB bmse000013 1 C2 C2 BMRB bmse000013 1 C3 C3 BMRB bmse000013 1 C4 C4 BMRB bmse000013 1 C5 C5 BMRB bmse000013 1 C6 C6 BMRB bmse000013 1 O7 O7 BMRB bmse000013 1 O8 O8 BMRB bmse000013 1 O9 O9 BMRB bmse000013 1 O10 O10 BMRB bmse000013 1 O11 O11 BMRB bmse000013 1 O12 O12 BMRB bmse000013 1 H13 H13 BMRB bmse000013 1 H14 H14 BMRB bmse000013 1 H15 H15 BMRB bmse000013 1 H16 H16 BMRB bmse000013 1 H17 H17 BMRB bmse000013 1 H18 H18 BMRB bmse000013 1 H19 H19 BMRB bmse000013 1 H20 H20 BMRB bmse000013 1 H21 H21 BMRB bmse000013 1 H22 H22 BMRB bmse000013 1 H23 H23 BMRB bmse000013 1 H24 H24 BMRB bmse000013 1 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.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 covalent SING C1 C2 ? bmse000013 1 2 covalent SING C1 O7 ? bmse000013 1 3 covalent SING C1 O11 ? bmse000013 1 4 covalent SING C1 H13 ? bmse000013 1 5 covalent SING C2 C3 ? bmse000013 1 6 covalent SING C2 O8 ? bmse000013 1 7 covalent SING C2 H14 ? bmse000013 1 8 covalent SING C3 C4 ? bmse000013 1 9 covalent SING C3 O9 ? bmse000013 1 10 covalent SING C3 H15 ? bmse000013 1 11 covalent SING C4 C5 ? bmse000013 1 12 covalent SING C4 O10 ? bmse000013 1 13 covalent SING C4 H16 ? bmse000013 1 14 covalent SING C5 C6 ? bmse000013 1 15 covalent SING C5 O11 ? bmse000013 1 16 covalent SING C5 H17 ? bmse000013 1 17 covalent SING C6 O12 ? bmse000013 1 18 covalent SING C6 H18 ? bmse000013 1 19 covalent SING C6 H19 ? bmse000013 1 20 covalent SING O7 H20 ? bmse000013 1 21 covalent SING O8 H21 ? bmse000013 1 22 covalent SING O9 H22 ? bmse000013 1 23 covalent SING O10 H23 ? bmse000013 1 24 covalent SING O12 H24 ? bmse000013 1 stop_ loop_ _Chem_comp_db_link.Author_supplied _Chem_comp_db_link.Database_code _Chem_comp_db_link.Accession_code _Chem_comp_db_link.Accession_code_type _Chem_comp_db_link.Entry_mol_code _Chem_comp_db_link.Entry_mol_name _Chem_comp_db_link.Entry_experimental_method _Chem_comp_db_link.Entry_relation_type _Chem_comp_db_link.Entry_details _Chem_comp_db_link.Entry_ID _Chem_comp_db_link.Comp_ID no PubChem 85164866 sid ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no PubChem 4231 sid ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no PubChem 439357 cid ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no KEGG C00984 "compound ID" ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no "CAS Registry" 59-23-4 "registry number" ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no PDB GLA "Chemical Component" ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 no PDB GLB "Chemical Component" ? D-(+)-Galactose ? "matching entry" ? bmse000013 1 stop_ loop_ _Chem_comp_citation.Citation_ID _Chem_comp_citation.Citation_label _Chem_comp_citation.Entry_ID _Chem_comp_citation.Comp_ID 1 $citation_1 bmse000013 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID bmse000013 _Sample.ID 1 _Sample.Type solution loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _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 D-galactose "natural abundance" 1 $D_galactose ? Solute 100 ? ? mM ? sigma/aldrich D-galactose ? bmse000013 1 2 D2O ? ? ? ? Solvent 100 ? ? % ? ? ? ? bmse000013 1 3 "sodium phosphate" ? ? ? ? Buffer 50 ? ? mM ? ? ? ? bmse000013 1 4 "sodium azide" ? ? ? ? Cytocide 500 ? ? uM ? ? ? ? bmse000013 1 5 DSS ? ? ? ? Reference 500 ? ? uM ? ? ? ? bmse000013 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID bmse000013 _Sample.ID 2 _Sample.Type solution loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _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 D-galactose "natural abundance" 1 $D_galactose ? Solute 0.5 ? ? mM ? sigma/aldrich D-galactose ? bmse000013 2 2 D2O ? ? ? ? Solvent 100 ? ? % ? ? ? ? bmse000013 2 3 "sodium phosphate" ? ? ? ? Buffer 50 ? ? mM ? ? ? ? bmse000013 2 4 "sodium azide" ? ? ? ? Cytocide 500 ? ? uM ? ? ? ? bmse000013 2 5 DSS ? ? ? ? Reference 2.5 ? ? uM ? ? ? ? bmse000013 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID bmse000013 _Sample.ID 3 _Sample.Type solution loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _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 D-galactose "natural abundance" 1 $D_galactose ? Solute 2.0 ? ? mM ? sigma/aldrich D-galactose ? bmse000013 3 2 D2O ? ? ? ? Solvent 100 ? ? % ? ? ? ? bmse000013 3 3 "sodium phosphate" ? ? ? ? Buffer 50 ? ? mM ? ? ? ? bmse000013 3 4 "sodium azide" ? ? ? ? Cytocide 500 ? ? uM ? ? ? ? bmse000013 3 5 DSS ? ? ? ? Reference 10 ? ? uM ? ? ? ? bmse000013 3 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID bmse000013 _Sample_condition_list.ID 1 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 7.4 ? pH bmse000013 1 temperature 298 ? K bmse000013 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID bmse000013 _Software.ID 1 _Software.Name TopSpin _Software.Version 2.1 _Software.Details ? loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Bruker Biospin" ? ? bmse000013 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Collection bmse000013 1 Processing bmse000013 1 "Data analysis" bmse000013 1 "Peak picking" bmse000013 1 stop_ save_ save_Bruker_DMX_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX_500 _NMR_spectrometer.Entry_ID bmse000013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Field_strength 500 save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID bmse000013 _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.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 "1D 1H, 0.5 mM" yes ? ? 2 $sample_2 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 2 "1D 1H, 2.0 mM" yes ? ? 3 $sample_3 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 3 "1D 1H" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 4 "2D [1H,1H]-TOCSY" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 5 "1D 13C" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 6 "1D DEPT90" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 7 "1D DEPT135" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 8 "2D [1H,13C]-HSQC" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 9 "2D [1H,13C]-HMBC" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 10 "2D [1H,1H]-COSY" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 11 "2D [1H,13C]-HSQC SW small" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_500 ? ? bmse000013 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Name _Experiment_file.Type _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 standards/D_galactose/nmr/bmse000013/1H.5/* "Time-domain (raw spectral data)" ? bmse000013 1 1 standards/D_galactose/nmr/bmse000013/spectra_png/1H.5/00.png "Spectral image" ? bmse000013 1 1 standards/D_galactose/nmr/bmse000013/spectra_png/1H.5/01.png "Spectral image" ? bmse000013 1 1 standards/D_galactose/nmr/bmse000013/spectra_png/1H.5/02.png "Spectral image" ? bmse000013 1 2 standards/D_galactose/nmr/bmse000013/1H_2/* "Time-domain (raw spectral data)" ? bmse000013 1 2 standards/D_galactose/nmr/bmse000013/spectra_png/1H_2/00.png "Spectral image" ? bmse000013 1 2 standards/D_galactose/nmr/bmse000013/spectra_png/1H_2/01.png "Spectral image" ? bmse000013 1 2 standards/D_galactose/nmr/bmse000013/spectra_png/1H_2/02.png "Spectral image" ? bmse000013 1 3 standards/D_galactose/nmr/bmse000013/1H/* "Time-domain (raw spectral data)" ? bmse000013 1 3 standards/D_galactose/nmr/bmse000013/spectra_png/1H/00.png "Spectral image" ? bmse000013 1 3 standards/D_galactose/nmr/bmse000013/spectra_png/1H/01.png "Spectral image" ? bmse000013 1 3 standards/D_galactose/nmr/bmse000013/spectra_png/1H/02.png "Spectral image" ? bmse000013 1 4 standards/D_galactose/nmr/bmse000013/HH_TOCSY/* "Time-domain (raw spectral data)" ? bmse000013 1 4 standards/D_galactose/nmr/bmse000013/spectra_png/HH_TOCSY/00.png "Spectral image" ? bmse000013 1 4 standards/D_galactose/nmr/bmse000013/spectra_png/HH_TOCSY/01.png "Spectral image" ? bmse000013 1 5 standards/D_galactose/nmr/bmse000013/13C/* "Time-domain (raw spectral data)" ? bmse000013 1 5 standards/D_galactose/nmr/bmse000013/spectra_png/13C/00.png "Spectral image" ? bmse000013 1 5 standards/D_galactose/nmr/bmse000013/spectra_png/13C/01.png "Spectral image" ? bmse000013 1 6 standards/D_galactose/nmr/bmse000013/DEPT_90/* "Time-domain (raw spectral data)" ? bmse000013 1 6 standards/D_galactose/nmr/bmse000013/spectra_png/DEPT_90/00.png "Spectral image" ? bmse000013 1 6 standards/D_galactose/nmr/bmse000013/spectra_png/DEPT_90/01.png "Spectral image" ? bmse000013 1 7 standards/D_galactose/nmr/bmse000013/DEPT_135/* "Time-domain (raw spectral data)" ? bmse000013 1 7 standards/D_galactose/nmr/bmse000013/spectra_png/DEPT_135/00.png "Spectral image" ? bmse000013 1 7 standards/D_galactose/nmr/bmse000013/spectra_png/DEPT_135/01.png "Spectral image" ? bmse000013 1 8 standards/D_galactose/nmr/bmse000013/1H_13C_HSQC/* "Time-domain (raw spectral data)" ? bmse000013 1 8 standards/D_galactose/nmr/bmse000013/spectra_png/1H_13C_HSQC/00.png "Spectral image" ? bmse000013 1 8 standards/D_galactose/nmr/bmse000013/spectra_png/1H_13C_HSQC/01.png "Spectral image" ? bmse000013 1 9 standards/D_galactose/nmr/bmse000013/1H_13C_HMBC/* "Time-domain (raw spectral data)" ? bmse000013 1 9 standards/D_galactose/nmr/bmse000013/spectra_png/1H_13C_HMBC/00.png "Spectral image" ? bmse000013 1 9 standards/D_galactose/nmr/bmse000013/spectra_png/1H_13C_HMBC/01.png "Spectral image" ? bmse000013 1 10 standards/D_galactose/nmr/bmse000013/HH_COSY/* "Time-domain (raw spectral data)" ? bmse000013 1 10 standards/D_galactose/nmr/bmse000013/spectra_png/HH_COSY/00.png "Spectral image" ? bmse000013 1 10 standards/D_galactose/nmr/bmse000013/spectra_png/HH_COSY/01.png "Spectral image" ? bmse000013 1 11 standards/D_galactose/nmr/bmse000013/1H_13C_HSQC_SW_small/* "Time-domain (raw spectral data)" ? bmse000013 1 11 standards/D_galactose/nmr/bmse000013/spectra_png/1H_13C_HSQC_SW_small/ "Spectral image" ? bmse000013 1 stop_ save_ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID bmse000013 _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.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.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS "methyl protons" ppm 0.00 internal direct 1.000000000 ? ? ? bmse000013 1 C 13 DSS "methyl carbons" ppm 0.00 internal direct 1.000000000 ? ? ? bmse000013 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID bmse000013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Error_derivation_method ? _Assigned_chem_shift_list.Details ? loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 "1D 1H, 0.5 mM" 1 $sample_1 bmse000013 1 2 "1D 1H, 2.0 mM" 1 $sample_1 bmse000013 1 3 "1D 1H" 1 $sample_1 bmse000013 1 4 "2D [1H,1H]-TOCSY" 1 $sample_1 bmse000013 1 5 "1D 13C" 1 $sample_1 bmse000013 1 6 "1D DEPT90" 1 $sample_1 bmse000013 1 7 "1D DEPT135" 1 $sample_1 bmse000013 1 8 "2D [1H,13C]-HSQC" 1 $sample_1 bmse000013 1 9 "2D [1H,13C]-HMBC" 1 $sample_1 bmse000013 1 10 "2D [1H,1H]-COSY" 1 $sample_1 bmse000013 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 ? ? bmse000013 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_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.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 C1 C 13 99.185 ? ? 1 ? ? ? C1 ? bmse000013 1 2 1 1 1 C1 C 13 95.014 ? ? 1 ? ? ? C1 ? bmse000013 1 3 1 1 1 C2 C 13 74.591 ? ? 4 ? ? ? C2 ? bmse000013 1 4 1 1 1 C2 C 13 71.066 ? ? 4 ? ? ? C2 ? bmse000013 1 5 1 1 1 C2 C 13 75.518 ? ? 4 ? ? ? C2 ? bmse000013 1 6 1 1 1 C2 C 13 71.890 ? ? 4 ? ? ? C2 ? bmse000013 1 7 1 1 1 C2 C 13 72.032 ? ? 4 ? ? ? C2 ? bmse000013 1 8 1 1 1 C2 C 13 71.471 ? ? 4 ? ? ? C2 ? bmse000013 1 9 1 1 1 C2 C 13 77.897 ? ? 4 ? ? ? C2 ? bmse000013 1 10 1 1 1 C2 C 13 73.218 ? ? 4 ? ? ? C2 ? bmse000013 1 11 1 1 1 C3 C 13 74.591 ? ? 4 ? ? ? C3 ? bmse000013 1 12 1 1 1 C3 C 13 71.066 ? ? 4 ? ? ? C3 ? bmse000013 1 13 1 1 1 C3 C 13 75.518 ? ? 4 ? ? ? C3 ? bmse000013 1 14 1 1 1 C3 C 13 71.890 ? ? 4 ? ? ? C3 ? bmse000013 1 15 1 1 1 C3 C 13 72.032 ? ? 4 ? ? ? C3 ? bmse000013 1 16 1 1 1 C3 C 13 71.471 ? ? 4 ? ? ? C3 ? bmse000013 1 17 1 1 1 C3 C 13 77.897 ? ? 4 ? ? ? C3 ? bmse000013 1 18 1 1 1 C3 C 13 73.218 ? ? 4 ? ? ? C3 ? bmse000013 1 19 1 1 1 C4 C 13 74.591 ? ? 4 ? ? ? C4 ? bmse000013 1 20 1 1 1 C4 C 13 71.066 ? ? 4 ? ? ? C4 ? bmse000013 1 21 1 1 1 C4 C 13 75.518 ? ? 4 ? ? ? C4 ? bmse000013 1 22 1 1 1 C4 C 13 71.890 ? ? 4 ? ? ? C4 ? bmse000013 1 23 1 1 1 C4 C 13 72.032 ? ? 4 ? ? ? C4 ? bmse000013 1 24 1 1 1 C4 C 13 71.471 ? ? 4 ? ? ? C4 ? bmse000013 1 25 1 1 1 C4 C 13 77.897 ? ? 4 ? ? ? C4 ? bmse000013 1 26 1 1 1 C4 C 13 73.218 ? ? 4 ? ? ? C4 ? bmse000013 1 27 1 1 1 C5 C 13 74.591 ? ? 4 ? ? ? C5 ? bmse000013 1 28 1 1 1 C5 C 13 71.066 ? ? 4 ? ? ? C5 ? bmse000013 1 29 1 1 1 C5 C 13 75.518 ? ? 4 ? ? ? C5 ? bmse000013 1 30 1 1 1 C5 C 13 71.890 ? ? 4 ? ? ? C5 ? bmse000013 1 31 1 1 1 C5 C 13 72.032 ? ? 4 ? ? ? C5 ? bmse000013 1 32 1 1 1 C5 C 13 71.471 ? ? 4 ? ? ? C5 ? bmse000013 1 33 1 1 1 C5 C 13 77.897 ? ? 4 ? ? ? C5 ? bmse000013 1 34 1 1 1 C5 C 13 73.218 ? ? 4 ? ? ? C5 ? bmse000013 1 35 1 1 1 C6 C 13 63.921 ? ? 1 ? ? ? C6 ? bmse000013 1 36 1 1 1 C6 C 13 63.716 ? ? 1 ? ? ? C6 ? bmse000013 1 37 1 1 1 H13 H 1 5.254 ? ? 1 ? ? ? H13 ? bmse000013 1 38 1 1 1 H13 H 1 4.575 ? ? 1 ? ? ? H13 ? bmse000013 1 39 1 1 1 H14 H 1 4.079 ? ? 4 ? ? ? H14 ? bmse000013 1 40 1 1 1 H14 H 1 3.975 ? ? 4 ? ? ? H14 ? bmse000013 1 41 1 1 1 H14 H 1 3.918 ? ? 4 ? ? ? H14 ? bmse000013 1 42 1 1 1 H14 H 1 3.820 ? ? 4 ? ? ? H14 ? bmse000013 1 43 1 1 1 H14 H 1 3.727 ? ? 4 ? ? ? H14 ? bmse000013 1 44 1 1 1 H14 H 1 3.639 ? ? 4 ? ? ? H14 ? bmse000013 1 45 1 1 1 H14 H 1 3.480 ? ? 4 ? ? ? H14 ? bmse000013 1 46 1 1 1 H15 H 1 4.079 ? ? 4 ? ? ? H15 ? bmse000013 1 47 1 1 1 H15 H 1 3.975 ? ? 4 ? ? ? H15 ? bmse000013 1 48 1 1 1 H15 H 1 3.918 ? ? 4 ? ? ? H15 ? bmse000013 1 49 1 1 1 H15 H 1 3.820 ? ? 4 ? ? ? H15 ? bmse000013 1 50 1 1 1 H15 H 1 3.727 ? ? 4 ? ? ? H15 ? bmse000013 1 51 1 1 1 H15 H 1 3.639 ? ? 4 ? ? ? H15 ? bmse000013 1 52 1 1 1 H15 H 1 3.480 ? ? 4 ? ? ? H15 ? bmse000013 1 53 1 1 1 H16 H 1 4.079 ? ? 4 ? ? ? H16 ? bmse000013 1 54 1 1 1 H16 H 1 3.975 ? ? 4 ? ? ? H16 ? bmse000013 1 55 1 1 1 H16 H 1 3.918 ? ? 4 ? ? ? H16 ? bmse000013 1 56 1 1 1 H16 H 1 3.820 ? ? 4 ? ? ? H16 ? bmse000013 1 57 1 1 1 H16 H 1 3.727 ? ? 4 ? ? ? H16 ? bmse000013 1 58 1 1 1 H16 H 1 3.639 ? ? 4 ? ? ? H16 ? bmse000013 1 59 1 1 1 H16 H 1 3.480 ? ? 4 ? ? ? H16 ? bmse000013 1 60 1 1 1 H17 H 1 4.079 ? ? 4 ? ? ? H17 ? bmse000013 1 61 1 1 1 H17 H 1 3.975 ? ? 4 ? ? ? H17 ? bmse000013 1 62 1 1 1 H17 H 1 3.918 ? ? 4 ? ? ? H17 ? bmse000013 1 63 1 1 1 H17 H 1 3.820 ? ? 4 ? ? ? H17 ? bmse000013 1 64 1 1 1 H17 H 1 3.727 ? ? 4 ? ? ? H17 ? bmse000013 1 65 1 1 1 H17 H 1 3.639 ? ? 4 ? ? ? H17 ? bmse000013 1 66 1 1 1 H17 H 1 3.480 ? ? 4 ? ? ? H17 ? bmse000013 1 67 1 1 1 H18 H 1 3.727 ? ? 4 ? ? ? H18 ? bmse000013 1 68 1 1 1 H19 H 1 3.727 ? ? 4 ? ? ? H19 ? bmse000013 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 3 bmse000013 1 1 11 bmse000013 1 1 19 bmse000013 1 1 27 bmse000013 1 2 4 bmse000013 1 2 12 bmse000013 1 2 20 bmse000013 1 2 28 bmse000013 1 3 5 bmse000013 1 3 13 bmse000013 1 3 21 bmse000013 1 3 29 bmse000013 1 4 6 bmse000013 1 4 14 bmse000013 1 4 22 bmse000013 1 4 30 bmse000013 1 5 7 bmse000013 1 5 15 bmse000013 1 5 23 bmse000013 1 5 31 bmse000013 1 6 8 bmse000013 1 6 16 bmse000013 1 6 24 bmse000013 1 6 32 bmse000013 1 7 9 bmse000013 1 7 17 bmse000013 1 7 25 bmse000013 1 7 33 bmse000013 1 8 10 bmse000013 1 8 18 bmse000013 1 8 26 bmse000013 1 8 34 bmse000013 1 9 39 bmse000013 1 9 46 bmse000013 1 9 53 bmse000013 1 9 60 bmse000013 1 10 40 bmse000013 1 10 47 bmse000013 1 10 54 bmse000013 1 10 61 bmse000013 1 11 41 bmse000013 1 11 48 bmse000013 1 11 55 bmse000013 1 11 62 bmse000013 1 12 42 bmse000013 1 12 49 bmse000013 1 12 56 bmse000013 1 12 63 bmse000013 1 13 43 bmse000013 1 13 50 bmse000013 1 13 57 bmse000013 1 13 64 bmse000013 1 13 67 bmse000013 1 13 68 bmse000013 1 14 44 bmse000013 1 14 51 bmse000013 1 14 58 bmse000013 1 14 65 bmse000013 1 15 45 bmse000013 1 15 52 bmse000013 1 15 59 bmse000013 1 15 66 bmse000013 1 stop_ save_ save_spectral_peak_1Hp5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_1Hp5 _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H, 0.5 mM' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 "Full H" ? 6493.50649350649 ? ? bmse000013 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 1 $software_1 ? ? bmse000013 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 ? ? bmse000013 1 2 ? ? bmse000013 1 3 ? ? bmse000013 1 4 ? ? bmse000013 1 5 ? ? bmse000013 1 6 ? ? bmse000013 1 7 ? ? bmse000013 1 8 ? ? bmse000013 1 9 ? ? bmse000013 1 10 ? ? bmse000013 1 11 ? ? bmse000013 1 12 ? ? bmse000013 1 13 ? ? bmse000013 1 14 ? ? bmse000013 1 15 ? ? bmse000013 1 16 ? ? bmse000013 1 17 ? ? bmse000013 1 18 ? ? bmse000013 1 19 ? ? bmse000013 1 20 ? ? bmse000013 1 21 ? ? bmse000013 1 22 ? ? bmse000013 1 23 ? ? bmse000013 1 24 ? ? bmse000013 1 25 ? ? bmse000013 1 26 ? ? bmse000013 1 27 ? ? bmse000013 1 28 ? ? bmse000013 1 29 ? ? bmse000013 1 30 ? ? bmse000013 1 31 ? ? bmse000013 1 32 ? ? bmse000013 1 33 ? ? bmse000013 1 34 ? ? bmse000013 1 35 ? ? bmse000013 1 36 ? ? bmse000013 1 37 ? ? bmse000013 1 38 ? ? bmse000013 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 1.09 ? Height bmse000013 1 2 1.11 ? Height bmse000013 1 3 3.00 ? Height bmse000013 1 4 3.08 ? Height bmse000013 1 5 0.50 ? Height bmse000013 1 6 0.74 ? Height bmse000013 1 7 0.55 ? Height bmse000013 1 8 1.08 ? Height bmse000013 1 9 1.18 ? Height bmse000013 1 10 2.49 ? Height bmse000013 1 11 2.57 ? Height bmse000013 1 12 0.54 ? Height bmse000013 1 13 0.45 ? Height bmse000013 1 14 1.10 ? Height bmse000013 1 15 1.07 ? Height bmse000013 1 16 1.14 ? Height bmse000013 1 17 1.07 ? Height bmse000013 1 18 0.55 ? Height bmse000013 1 19 0.52 ? Height bmse000013 1 20 0.56 ? Height bmse000013 1 21 0.68 ? Height bmse000013 1 22 1.89 ? Height bmse000013 1 23 4.42 ? Height bmse000013 1 24 3.51 ? Height bmse000013 1 25 2.21 ? Height bmse000013 1 26 1.75 ? Height bmse000013 1 27 3.22 ? Height bmse000013 1 28 1.46 ? Height bmse000013 1 29 1.11 ? Height bmse000013 1 30 0.90 ? Height bmse000013 1 31 1.61 ? Height bmse000013 1 32 1.57 ? Height bmse000013 1 33 2.01 ? Height bmse000013 1 34 1.90 ? Height bmse000013 1 35 1.30 ? Height bmse000013 1 36 1.35 ? Height bmse000013 1 37 1.06 ? Height bmse000013 1 38 0.92 ? Height bmse000013 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 5.2570 ? bmse000013 1 2 1 5.2495 ? bmse000013 1 3 1 4.5822 ? bmse000013 1 4 1 4.5664 ? bmse000013 1 5 1 4.0927 ? bmse000013 1 6 1 4.0802 ? bmse000013 1 7 1 4.0676 ? bmse000013 1 8 1 3.9761 ? bmse000013 1 9 1 3.9700 ? bmse000013 1 10 1 3.9201 ? bmse000013 1 11 1 3.9133 ? bmse000013 1 12 1 3.8580 ? bmse000013 1 13 1 3.8515 ? bmse000013 1 14 1 3.8373 ? bmse000013 1 15 1 3.8308 ? bmse000013 1 16 1 3.8056 ? bmse000013 1 17 1 3.7980 ? bmse000013 1 18 1 3.7848 ? bmse000013 1 19 1 3.7817 ? bmse000013 1 20 1 3.7775 ? bmse000013 1 21 1 3.7657 ? bmse000013 1 22 1 3.7588 ? bmse000013 1 23 1 3.7433 ? bmse000013 1 24 1 3.7371 ? bmse000013 1 25 1 3.7259 ? bmse000013 1 26 1 3.7162 ? bmse000013 1 27 1 3.7108 ? bmse000013 1 28 1 3.7030 ? bmse000013 1 29 1 3.6958 ? bmse000013 1 30 1 3.6871 ? bmse000013 1 31 1 3.6523 ? bmse000013 1 32 1 3.6453 ? bmse000013 1 33 1 3.6323 ? bmse000013 1 34 1 3.6254 ? bmse000013 1 35 1 3.4987 ? bmse000013 1 36 1 3.4829 ? bmse000013 1 37 1 3.4790 ? bmse000013 1 38 1 3.4630 ? bmse000013 1 stop_ save_ save_spectral_peak_1H_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_1H_2 _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '1D 1H, 2.0 mM' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 "Full H" ? 6493.50649350649 ? ? bmse000013 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 1 $software_1 ? ? bmse000013 2 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 ? ? bmse000013 2 2 ? ? bmse000013 2 3 ? ? bmse000013 2 4 ? ? bmse000013 2 5 ? ? bmse000013 2 6 ? ? bmse000013 2 7 ? ? bmse000013 2 8 ? ? bmse000013 2 9 ? ? bmse000013 2 10 ? ? bmse000013 2 11 ? ? bmse000013 2 12 ? ? bmse000013 2 13 ? ? bmse000013 2 14 ? ? bmse000013 2 15 ? ? bmse000013 2 16 ? ? bmse000013 2 17 ? ? bmse000013 2 18 ? ? bmse000013 2 19 ? ? bmse000013 2 20 ? ? bmse000013 2 21 ? ? bmse000013 2 22 ? ? bmse000013 2 23 ? ? bmse000013 2 24 ? ? bmse000013 2 25 ? ? bmse000013 2 26 ? ? bmse000013 2 27 ? ? bmse000013 2 28 ? ? bmse000013 2 29 ? ? bmse000013 2 30 ? ? bmse000013 2 31 ? ? bmse000013 2 32 ? ? bmse000013 2 33 ? ? bmse000013 2 34 ? ? bmse000013 2 35 ? ? bmse000013 2 36 ? ? bmse000013 2 37 ? ? bmse000013 2 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 0.52 ? Height bmse000013 2 2 0.54 ? Height bmse000013 2 3 1.33 ? Height bmse000013 2 4 1.39 ? Height bmse000013 2 5 0.19 ? Height bmse000013 2 6 0.30 ? Height bmse000013 2 7 0.21 ? Height bmse000013 2 8 0.41 ? Height bmse000013 2 9 0.46 ? Height bmse000013 2 10 0.95 ? Height bmse000013 2 11 1.01 ? Height bmse000013 2 12 0.23 ? Height bmse000013 2 13 0.18 ? Height bmse000013 2 14 0.47 ? Height bmse000013 2 15 0.47 ? Height bmse000013 2 16 0.52 ? Height bmse000013 2 17 0.48 ? Height bmse000013 2 18 0.26 ? Height bmse000013 2 19 0.24 ? Height bmse000013 2 20 0.26 ? Height bmse000013 2 21 0.72 ? Height bmse000013 2 22 1.74 ? Height bmse000013 2 23 1.34 ? Height bmse000013 2 24 0.87 ? Height bmse000013 2 25 0.68 ? Height bmse000013 2 26 1.24 ? Height bmse000013 2 27 0.54 ? Height bmse000013 2 28 0.42 ? Height bmse000013 2 29 0.34 ? Height bmse000013 2 30 0.63 ? Height bmse000013 2 31 0.62 ? Height bmse000013 2 32 0.82 ? Height bmse000013 2 33 0.79 ? Height bmse000013 2 34 0.70 ? Height bmse000013 2 35 0.72 ? Height bmse000013 2 36 0.61 ? Height bmse000013 2 37 0.53 ? Height bmse000013 2 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 5.2562 ? bmse000013 2 2 1 5.2487 ? bmse000013 2 3 1 4.5816 ? bmse000013 2 4 1 4.5658 ? bmse000013 2 5 1 4.0926 ? bmse000013 2 6 1 4.0799 ? bmse000013 2 7 1 4.0675 ? bmse000013 2 8 1 3.9748 ? bmse000013 2 9 1 3.9691 ? bmse000013 2 10 1 3.9191 ? bmse000013 2 11 1 3.9123 ? bmse000013 2 12 1 3.8574 ? bmse000013 2 13 1 3.8510 ? bmse000013 2 14 1 3.8368 ? bmse000013 2 15 1 3.8303 ? bmse000013 2 16 1 3.8050 ? bmse000013 2 17 1 3.7974 ? bmse000013 2 18 1 3.7842 ? bmse000013 2 19 1 3.7768 ? bmse000013 2 20 1 3.7658 ? bmse000013 2 21 1 3.7588 ? bmse000013 2 22 1 3.7433 ? bmse000013 2 23 1 3.7366 ? bmse000013 2 24 1 3.7256 ? bmse000013 2 25 1 3.7160 ? bmse000013 2 26 1 3.7105 ? bmse000013 2 27 1 3.7031 ? bmse000013 2 28 1 3.6954 ? bmse000013 2 29 1 3.6870 ? bmse000013 2 30 1 3.6517 ? bmse000013 2 31 1 3.6447 ? bmse000013 2 32 1 3.6317 ? bmse000013 2 33 1 3.6248 ? bmse000013 2 34 1 3.4980 ? bmse000013 2 35 1 3.4821 ? bmse000013 2 36 1 3.4782 ? bmse000013 2 37 1 3.4623 ? bmse000013 2 stop_ save_ save_spectral_peak_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_1H _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 "Full H" ? 6493.50649350649 ? ? bmse000013 3 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 1 $software_1 ? ? bmse000013 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000013 3 2 ? ? bmse000013 3 3 ? ? bmse000013 3 4 ? ? bmse000013 3 5 ? ? bmse000013 3 6 ? ? bmse000013 3 7 ? ? bmse000013 3 8 ? ? bmse000013 3 9 ? ? bmse000013 3 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 0.6 ? integration bmse000013 3 2 1.5 ? integration bmse000013 3 3 1 0.5 integration bmse000013 3 4 1 0.5 integration bmse000013 3 5 2 0.5 integration bmse000013 3 6 1.8 ? integration bmse000013 3 7 8.6 ? integration bmse000013 3 8 2.1 ? integration bmse000013 3 9 1.1 ? integration bmse000013 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 5.254 ? ? ? d bmse000013 3 2 1 4.575 ? ? ? d bmse000013 3 3 1 4.079 ? ? ? t bmse000013 3 4 1 3.975 ? ? ? d bmse000013 3 5 1 3.918 ? ? ? d bmse000013 3 6 1 3.82 ? ? ? m bmse000013 3 7 1 3.727 ? ? ? m bmse000013 3 8 1 3.639 ? ? ? dd bmse000013 3 9 1 3.48 ? ? ? m bmse000013 3 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.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.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 ? ? 5.254 ? ? ? 1 1 1 1 H13 ? bmse000013 3 2 1 ? ? 4.575 ? ? ? 1 1 1 1 H13 ? bmse000013 3 3 1 ? ? 4.079 ? ? ? 1 1 1 1 H14 ? bmse000013 3 3 1 ? ? 4.079 ? ? ? 1 1 1 1 H15 ? bmse000013 3 3 1 ? ? 4.079 ? ? ? 1 1 1 1 H16 ? bmse000013 3 3 1 ? ? 4.079 ? ? ? 1 1 1 1 H17 ? bmse000013 3 4 1 ? ? 3.975 ? ? ? 1 1 1 1 H14 ? bmse000013 3 4 1 ? ? 3.975 ? ? ? 1 1 1 1 H15 ? bmse000013 3 4 1 ? ? 3.975 ? ? ? 1 1 1 1 H16 ? bmse000013 3 4 1 ? ? 3.975 ? ? ? 1 1 1 1 H17 ? bmse000013 3 5 1 ? ? 3.918 ? ? ? 1 1 1 1 H14 ? bmse000013 3 5 1 ? ? 3.918 ? ? ? 1 1 1 1 H15 ? bmse000013 3 5 1 ? ? 3.918 ? ? ? 1 1 1 1 H16 ? bmse000013 3 5 1 ? ? 3.918 ? ? ? 1 1 1 1 H17 ? bmse000013 3 6 1 ? ? 3.82 ? ? ? 1 1 1 1 H14 ? bmse000013 3 6 1 ? ? 3.82 ? ? ? 1 1 1 1 H15 ? bmse000013 3 6 1 ? ? 3.82 ? ? ? 1 1 1 1 H16 ? bmse000013 3 6 1 ? ? 3.82 ? ? ? 1 1 1 1 H17 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H14 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H15 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H16 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H17 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H18 ? bmse000013 3 7 1 ? ? 3.727 ? ? ? 1 1 1 1 H19 ? bmse000013 3 8 1 ? ? 3.639 ? ? ? 1 1 1 1 H14 ? bmse000013 3 8 1 ? ? 3.639 ? ? ? 1 1 1 1 H15 ? bmse000013 3 8 1 ? ? 3.639 ? ? ? 1 1 1 1 H16 ? bmse000013 3 8 1 ? ? 3.639 ? ? ? 1 1 1 1 H17 ? bmse000013 3 9 1 ? ? 3.48 ? ? ? 1 1 1 1 H14 ? bmse000013 3 9 1 ? ? 3.48 ? ? ? 1 1 1 1 H15 ? bmse000013 3 9 1 ? ? 3.48 ? ? ? 1 1 1 1 H16 ? bmse000013 3 9 1 ? ? 3.48 ? ? ? 1 1 1 1 H17 ? bmse000013 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 ? ? bmse000013 3 2 ? ? bmse000013 3 3 ? ? bmse000013 3 4 ? ? bmse000013 3 5 ? ? bmse000013 3 6 ? ? bmse000013 3 7 ? ? bmse000013 3 8 ? ? bmse000013 3 9 ? ? bmse000013 3 10 ? ? bmse000013 3 11 ? ? bmse000013 3 12 ? ? bmse000013 3 13 ? ? bmse000013 3 14 ? ? bmse000013 3 15 ? ? bmse000013 3 16 ? ? bmse000013 3 17 ? ? bmse000013 3 18 ? ? bmse000013 3 19 ? ? bmse000013 3 20 ? ? bmse000013 3 21 ? ? bmse000013 3 22 ? ? bmse000013 3 23 ? ? bmse000013 3 24 ? ? bmse000013 3 25 ? ? bmse000013 3 26 ? ? bmse000013 3 27 ? ? bmse000013 3 28 ? ? bmse000013 3 29 ? ? bmse000013 3 30 ? ? bmse000013 3 31 ? ? bmse000013 3 32 ? ? bmse000013 3 33 ? ? bmse000013 3 34 ? ? bmse000013 3 35 ? ? bmse000013 3 36 ? ? bmse000013 3 37 ? ? bmse000013 3 38 ? ? bmse000013 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 21613434 ? Height bmse000013 3 2 20845352 ? Height bmse000013 3 3 52251988 ? Height bmse000013 3 4 52952656 ? Height bmse000013 3 5 11460881 ? Height bmse000013 3 6 18156476 ? Height bmse000013 3 7 12519536 ? Height bmse000013 3 8 24681386 ? Height bmse000013 3 9 26730666 ? Height bmse000013 3 10 53488788 ? Height bmse000013 3 11 55334088 ? Height bmse000013 3 12 10691233 ? Height bmse000013 3 13 8940460 ? Height bmse000013 3 14 22040614 ? Height bmse000013 3 15 21245510 ? Height bmse000013 3 16 21851452 ? Height bmse000013 3 17 20414662 ? Height bmse000013 3 18 11258776 ? Height bmse000013 3 19 12258903 ? Height bmse000013 3 20 11673644 ? Height bmse000013 3 21 16085517 ? Height bmse000013 3 22 42951776 ? Height bmse000013 3 23 102167864 ? Height bmse000013 3 24 79960856 ? Height bmse000013 3 25 56970716 ? Height bmse000013 3 26 41599972 ? Height bmse000013 3 27 73462776 ? Height bmse000013 3 28 36612936 ? Height bmse000013 3 29 28382316 ? Height bmse000013 3 30 20343022 ? Height bmse000013 3 31 32549288 ? Height bmse000013 3 32 32445646 ? Height bmse000013 3 33 40120008 ? Height bmse000013 3 34 39036956 ? Height bmse000013 3 35 21316614 ? Height bmse000013 3 36 24147196 ? Height bmse000013 3 37 18115992 ? Height bmse000013 3 38 14134746 ? Height bmse000013 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 5.257 ? bmse000013 3 2 1 5.249 ? bmse000013 3 3 1 4.581 ? bmse000013 3 4 1 4.565 ? bmse000013 3 5 1 4.090 ? bmse000013 3 6 1 4.078 ? bmse000013 3 7 1 4.066 ? bmse000013 3 8 1 3.977 ? bmse000013 3 9 1 3.972 ? bmse000013 3 10 1 3.920 ? bmse000013 3 11 1 3.914 ? bmse000013 3 12 1 3.857 ? bmse000013 3 13 1 3.851 ? bmse000013 3 14 1 3.837 ? bmse000013 3 15 1 3.830 ? bmse000013 3 16 1 3.806 ? bmse000013 3 17 1 3.798 ? bmse000013 3 18 1 3.784 ? bmse000013 3 19 1 3.782 ? bmse000013 3 20 1 3.778 ? bmse000013 3 21 1 3.766 ? bmse000013 3 22 1 3.758 ? bmse000013 3 23 1 3.743 ? bmse000013 3 24 1 3.737 ? bmse000013 3 25 1 3.726 ? bmse000013 3 26 1 3.716 ? bmse000013 3 27 1 3.710 ? bmse000013 3 28 1 3.700 ? bmse000013 3 29 1 3.693 ? bmse000013 3 30 1 3.685 ? bmse000013 3 31 1 3.651 ? bmse000013 3 32 1 3.644 ? bmse000013 3 33 1 3.630 ? bmse000013 3 34 1 3.624 ? bmse000013 3 35 1 3.498 ? bmse000013 3 36 1 3.482 ? bmse000013 3 37 1 3.478 ? bmse000013 3 38 1 3.462 ? bmse000013 3 stop_ save_ save_spectral_peak_13C _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_13C _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 "Full C" ? 29761.9047619048 ? ? bmse000013 4 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 1 $software_1 ? ? bmse000013 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000013 4 2 ? ? bmse000013 4 3 ? ? bmse000013 4 4 ? ? bmse000013 4 5 ? ? bmse000013 4 6 ? ? bmse000013 4 7 ? ? bmse000013 4 8 ? ? bmse000013 4 9 ? ? bmse000013 4 10 ? ? bmse000013 4 11 ? ? bmse000013 4 12 ? ? bmse000013 4 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 99.185 ? ? ? ? bmse000013 4 2 1 95.014 ? ? ? ? bmse000013 4 3 1 77.897 ? ? ? ? bmse000013 4 4 1 75.518 ? ? ? ? bmse000013 4 5 1 74.591 ? ? ? ? bmse000013 4 6 1 73.218 ? ? ? ? bmse000013 4 7 1 72.032 ? ? ? ? bmse000013 4 8 1 71.89 ? ? ? ? bmse000013 4 9 1 71.471 ? ? ? ? bmse000013 4 10 1 71.066 ? ? ? ? bmse000013 4 11 1 63.921 ? ? ? ? bmse000013 4 12 1 63.716 ? ? ? ? bmse000013 4 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.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.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 ? ? 99.185 ? ? ? 1 1 1 1 C1 ? bmse000013 4 2 1 ? ? 95.014 ? ? ? 1 1 1 1 C1 ? bmse000013 4 3 1 ? ? 77.897 ? ? ? 1 1 1 1 C5 ? bmse000013 4 4 1 ? ? 75.518 ? ? ? 1 1 1 1 C2 ? bmse000013 4 4 1 ? ? 75.518 ? ? ? 1 1 1 1 C3 ? bmse000013 4 4 1 ? ? 75.518 ? ? ? 1 1 1 1 C4 ? bmse000013 4 4 1 ? ? 75.518 ? ? ? 1 1 1 1 C5 ? bmse000013 4 5 1 ? ? 74.591 ? ? ? 1 1 1 1 C2 ? bmse000013 4 5 1 ? ? 74.591 ? ? ? 1 1 1 1 C3 ? bmse000013 4 5 1 ? ? 74.591 ? ? ? 1 1 1 1 C4 ? bmse000013 4 5 1 ? ? 74.591 ? ? ? 1 1 1 1 C5 ? bmse000013 4 6 1 ? ? 73.218 ? ? ? 1 1 1 1 C2 ? bmse000013 4 6 1 ? ? 73.218 ? ? ? 1 1 1 1 C3 ? bmse000013 4 6 1 ? ? 73.218 ? ? ? 1 1 1 1 C4 ? bmse000013 4 6 1 ? ? 73.218 ? ? ? 1 1 1 1 C5 ? bmse000013 4 7 1 ? ? 72.032 ? ? ? 1 1 1 1 C2 ? bmse000013 4 7 1 ? ? 72.032 ? ? ? 1 1 1 1 C3 ? bmse000013 4 7 1 ? ? 72.032 ? ? ? 1 1 1 1 C4 ? bmse000013 4 7 1 ? ? 72.032 ? ? ? 1 1 1 1 C5 ? bmse000013 4 8 1 ? ? 71.89 ? ? ? 1 1 1 1 C2 ? bmse000013 4 8 1 ? ? 71.89 ? ? ? 1 1 1 1 C3 ? bmse000013 4 8 1 ? ? 71.89 ? ? ? 1 1 1 1 C4 ? bmse000013 4 8 1 ? ? 71.89 ? ? ? 1 1 1 1 C5 ? bmse000013 4 9 1 ? ? 71.471 ? ? ? 1 1 1 1 C2 ? bmse000013 4 9 1 ? ? 71.471 ? ? ? 1 1 1 1 C3 ? bmse000013 4 9 1 ? ? 71.471 ? ? ? 1 1 1 1 C4 ? bmse000013 4 9 1 ? ? 71.471 ? ? ? 1 1 1 1 C5 ? bmse000013 4 10 1 ? ? 71.066 ? ? ? 1 1 1 1 C2 ? bmse000013 4 10 1 ? ? 71.066 ? ? ? 1 1 1 1 C3 ? bmse000013 4 10 1 ? ? 71.066 ? ? ? 1 1 1 1 C4 ? bmse000013 4 10 1 ? ? 71.066 ? ? ? 1 1 1 1 C5 ? bmse000013 4 11 1 ? ? 63.921 ? ? ? 1 1 1 1 C6 ? bmse000013 4 12 1 ? ? 63.716 ? ? ? 1 1 1 1 C6 ? bmse000013 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 ? ? bmse000013 4 2 ? ? bmse000013 4 3 ? ? bmse000013 4 4 ? ? bmse000013 4 5 ? ? bmse000013 4 6 ? ? bmse000013 4 7 ? ? bmse000013 4 8 ? ? bmse000013 4 9 ? ? bmse000013 4 10 ? ? bmse000013 4 11 ? ? bmse000013 4 12 ? ? bmse000013 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 184341904 ? Height bmse000013 4 2 91417248 ? Height bmse000013 4 3 174062944 ? Height bmse000013 4 4 181651936 ? Height bmse000013 4 5 190250176 ? Height bmse000013 4 6 92038688 ? Height bmse000013 4 7 81950248 ? Height bmse000013 4 8 83643064 ? Height bmse000013 4 9 178359328 ? Height bmse000013 4 10 88812200 ? Height bmse000013 4 11 71049680 ? Height bmse000013 4 12 165781648 ? Height bmse000013 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 99.205 ? bmse000013 4 2 1 95.035 ? bmse000013 4 3 1 77.912 ? bmse000013 4 4 1 75.536 ? bmse000013 4 5 1 74.610 ? bmse000013 4 6 1 73.238 ? bmse000013 4 7 1 72.050 ? bmse000013 4 8 1 71.911 ? bmse000013 4 9 1 71.489 ? bmse000013 4 10 1 71.086 ? bmse000013 4 11 1 63.934 ? bmse000013 4 12 1 63.737 ? bmse000013 4 stop_ save_ save_spectral_peak_DEPT_90 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_DEPT_90 _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 "Full C" ? 29761.9047619048 ? ? bmse000013 5 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 1 $software_1 ? ? bmse000013 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000013 5 2 ? ? bmse000013 5 3 ? ? bmse000013 5 4 ? ? bmse000013 5 5 ? ? bmse000013 5 6 ? ? bmse000013 5 7 ? ? bmse000013 5 8 ? ? bmse000013 5 9 ? ? bmse000013 5 10 ? ? bmse000013 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 99.19 ? ? ? ? bmse000013 5 2 1 95.019 ? ? ? ? bmse000013 5 3 1 77.901 ? ? ? ? bmse000013 5 4 1 75.523 ? ? ? ? bmse000013 5 5 1 74.593 ? ? ? ? bmse000013 5 6 1 73.222 ? ? ? ? bmse000013 5 7 1 72.035 ? ? ? ? bmse000013 5 8 1 71.895 ? ? ? ? bmse000013 5 9 1 71.476 ? ? ? ? bmse000013 5 10 1 71.071 ? ? ? ? bmse000013 5 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.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.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 ? ? 99.19 ? ? ? 1 1 1 1 C1 ? bmse000013 5 2 1 ? ? 95.019 ? ? ? 1 1 1 1 C1 ? bmse000013 5 3 1 ? ? 77.901 ? ? ? 1 1 1 1 C5 ? bmse000013 5 4 1 ? ? 75.523 ? ? ? 1 1 1 1 C2 ? bmse000013 5 4 1 ? ? 75.523 ? ? ? 1 1 1 1 C3 ? bmse000013 5 4 1 ? ? 75.523 ? ? ? 1 1 1 1 C4 ? bmse000013 5 4 1 ? ? 75.523 ? ? ? 1 1 1 1 C5 ? bmse000013 5 5 1 ? ? 74.593 ? ? ? 1 1 1 1 C2 ? bmse000013 5 5 1 ? ? 74.593 ? ? ? 1 1 1 1 C3 ? bmse000013 5 5 1 ? ? 74.593 ? ? ? 1 1 1 1 C4 ? bmse000013 5 5 1 ? ? 74.593 ? ? ? 1 1 1 1 C5 ? bmse000013 5 6 1 ? ? 73.222 ? ? ? 1 1 1 1 C2 ? bmse000013 5 6 1 ? ? 73.222 ? ? ? 1 1 1 1 C3 ? bmse000013 5 6 1 ? ? 73.222 ? ? ? 1 1 1 1 C4 ? bmse000013 5 6 1 ? ? 73.222 ? ? ? 1 1 1 1 C5 ? bmse000013 5 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C2 ? bmse000013 5 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C3 ? bmse000013 5 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C4 ? bmse000013 5 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C5 ? bmse000013 5 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C2 ? bmse000013 5 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C3 ? bmse000013 5 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C4 ? bmse000013 5 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C5 ? bmse000013 5 9 1 ? ? 71.476 ? ? ? 1 1 1 1 C2 ? bmse000013 5 9 1 ? ? 71.476 ? ? ? 1 1 1 1 C3 ? bmse000013 5 9 1 ? ? 71.476 ? ? ? 1 1 1 1 C4 ? bmse000013 5 9 1 ? ? 71.476 ? ? ? 1 1 1 1 C5 ? bmse000013 5 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C2 ? bmse000013 5 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C3 ? bmse000013 5 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C4 ? bmse000013 5 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C5 ? bmse000013 5 stop_ save_ save_spectral_peak_DEPT_135 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_DEPT_135 _Spectral_peak_list.Entry_ID bmse000013 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details ? loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 "Full C" ? 29761.9047619048 ? ? bmse000013 6 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 1 $software_1 ? ? bmse000013 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000013 6 2 ? ? bmse000013 6 3 ? ? bmse000013 6 4 ? ? bmse000013 6 5 ? ? bmse000013 6 6 ? ? bmse000013 6 7 ? ? bmse000013 6 8 ? ? bmse000013 6 9 ? ? bmse000013 6 10 ? ? bmse000013 6 11 ? ? bmse000013 6 12 ? ? bmse000013 6 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 99.19 ? positive ? ? bmse000013 6 2 1 95.019 ? positive ? ? bmse000013 6 3 1 77.902 ? positive ? ? bmse000013 6 4 1 75.524 ? positive ? ? bmse000013 6 5 1 74.594 ? positive ? ? bmse000013 6 6 1 73.223 ? positive ? ? bmse000013 6 7 1 72.035 ? positive ? ? bmse000013 6 8 1 71.895 ? positive ? ? bmse000013 6 9 1 71.477 ? positive ? ? bmse000013 6 10 1 71.071 ? positive ? ? bmse000013 6 11 1 63.926 ? negative ? ? bmse000013 6 12 1 63.721 ? negative ? ? bmse000013 6 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.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.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 ? ? 99.19 ? ? ? 1 1 1 1 C1 ? bmse000013 6 2 1 ? ? 95.019 ? ? ? 1 1 1 1 C1 ? bmse000013 6 3 1 ? ? 77.902 ? ? ? 1 1 1 1 C5 ? bmse000013 6 4 1 ? ? 75.524 ? ? ? 1 1 1 1 C2 ? bmse000013 6 4 1 ? ? 75.524 ? ? ? 1 1 1 1 C3 ? bmse000013 6 4 1 ? ? 75.524 ? ? ? 1 1 1 1 C4 ? bmse000013 6 4 1 ? ? 75.524 ? ? ? 1 1 1 1 C5 ? bmse000013 6 5 1 ? ? 74.594 ? ? ? 1 1 1 1 C2 ? bmse000013 6 5 1 ? ? 74.594 ? ? ? 1 1 1 1 C3 ? bmse000013 6 5 1 ? ? 74.594 ? ? ? 1 1 1 1 C4 ? bmse000013 6 5 1 ? ? 74.594 ? ? ? 1 1 1 1 C5 ? bmse000013 6 6 1 ? ? 73.223 ? ? ? 1 1 1 1 C2 ? bmse000013 6 6 1 ? ? 73.223 ? ? ? 1 1 1 1 C3 ? bmse000013 6 6 1 ? ? 73.223 ? ? ? 1 1 1 1 C4 ? bmse000013 6 6 1 ? ? 73.223 ? ? ? 1 1 1 1 C5 ? bmse000013 6 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C2 ? bmse000013 6 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C3 ? bmse000013 6 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C4 ? bmse000013 6 7 1 ? ? 72.035 ? ? ? 1 1 1 1 C5 ? bmse000013 6 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C2 ? bmse000013 6 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C3 ? bmse000013 6 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C4 ? bmse000013 6 8 1 ? ? 71.895 ? ? ? 1 1 1 1 C5 ? bmse000013 6 9 1 ? ? 71.477 ? ? ? 1 1 1 1 C2 ? bmse000013 6 9 1 ? ? 71.477 ? ? ? 1 1 1 1 C3 ? bmse000013 6 9 1 ? ? 71.477 ? ? ? 1 1 1 1 C4 ? bmse000013 6 9 1 ? ? 71.477 ? ? ? 1 1 1 1 C5 ? bmse000013 6 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C2 ? bmse000013 6 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C3 ? bmse000013 6 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C4 ? bmse000013 6 10 1 ? ? 71.071 ? ? ? 1 1 1 1 C5 ? bmse000013 6 11 1 ? ? 63.926 ? ? ? 1 1 1 1 C6 ? bmse000013 6 12 1 ? ? 63.721 ? ? ? 1 1 1 1 C6 ? bmse000013 6 stop_ save_