data_bmse000263 save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID bmse000263 _Entry.Title NADP _Entry.Version_type update _Entry.Submission_date 2006-04-13 _Entry.Accession_date 2006-04-13 _Entry.Last_release_date 2012-11-09 _Entry.Original_release_date 2006-04-13 _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 NADP loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qiu Cui ? ? bmse000263 2 Ian Lewis ? ? bmse000263 3 Mark Anderson E. ? bmse000263 4 John Markley L. ? bmse000263 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 bmse000263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 bmse000263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID "13C chemical shifts" 109 bmse000263 "1H chemical shifts" 49 bmse000263 stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 2006-04-13 2006-04-13 original BMRB "Original spectra from MMC" bmse000263 2 2007-07-13 2007-07-16 update BMRB "_Chem_comp_atom loop added to chem_comp saveframe" bmse000263 3 2007-09-11 2007-09-11 update BMRB "STAR format corrections" bmse000263 4 2008-03-17 2008-03-17 update BMRB "Added, optionally populated, loop value _Peak_char.Coupling_pattern" bmse000263 5 2008-03-27 2008-03-27 update BMRB "Removed bad HH_tocsy data" bmse000263 6 2008-10-21 2008-10-21 update BMRB "Added assembly and entity information" bmse000263 7 2008-11-03 2008-11-03 update BMRB "Altered tag names due to dictionary update" bmse000263 8 2009-07-20 2009-07-20 update BMRB "Updated the InChI string to match PubChem" bmse000263 9 2010-10-08 2010-10-08 update BMRB "Removed empty loops for database compliance" bmse000263 10 2010-11-09 2010-11-09 update BMRB "Reset sweep widths to those found in parameter files" bmse000263 11 2010-11-30 2010-11-30 update BMRB "Added 1 PDB ID to Chem_comp_db_link" bmse000263 12 2011-01-31 2011-01-31 update BMRB ; Reset Formula, Formula_weight, Formula_mono_iso_wt_nat, Formula_mono_iso_wt_13C, Formula_mono_iso_wt_15N, Formula_mono_iso_wt_13C_15N ; bmse000263 13 2011-04-04 2011-04-04 update BMRB "Added Provenance tag to chem_comp" bmse000263 14 2011-04-07 2011-04-07 update BMRB "Removed/fixed empty _Assigned_peak_chem_shift loops" bmse000263 15 2011-04-11 2011-04-11 update BMRB "Moved Dept 135 phase val info from _Peak_general_char to _Peak_char" bmse000263 16 2011-09-09 2011-09-09 update BMRB "Brought up to date with latest Dictionary" bmse000263 17 2011-09-21 2011-09-21 update BMRB "Added base dir to data file path" bmse000263 18 2011-12-14 2011-12-14 update BMRB "Set Assembly.Name to match Chem_comp.name" bmse000263 19 2012-09-13 2012-09-13 update BMRB "Added PubChem SID 85165069 to database loop" bmse000263 20 2012-10-17 2012-10-17 update BMRB "Set all _Chem_comp_SMILES Types to lower case" bmse000263 21 2012-11-09 2012-11-09 update BMRB "removed existing spectral peaks" bmse000263 22 2012-11-09 2012-11-09 update BMRB "Updating assignments with fixed assignment file" bmse000263 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID bmse000263 _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. ? bmse000263 1 2 T. Barrett T. ? ? bmse000263 1 3 D. Benson D. A. ? bmse000263 1 4 S. Bryant S. H. ? bmse000263 1 5 K. Canese K. ? ? bmse000263 1 6 V. Chetvenin V. ? ? bmse000263 1 7 D. Church D. M. ? bmse000263 1 8 M. DiCuccio M. ? ? bmse000263 1 9 R. Edgar R. ? ? bmse000263 1 10 S. Federhen S. ? ? bmse000263 1 11 L. Geer L. Y. ? bmse000263 1 12 W. Helmberg W. ? ? bmse000263 1 13 Y. Kapustin Y. ? ? bmse000263 1 14 D. Kenton D. L. ? bmse000263 1 15 O. Khovayko O. ? ? bmse000263 1 16 D. Lipman D. J. ? bmse000263 1 17 T. Madden T. L. ? bmse000263 1 18 D. Maglott D. R. ? bmse000263 1 19 J. Ostell J. ? ? bmse000263 1 20 K. Pruitt K. D. ? bmse000263 1 21 G. Schuler G. D. ? bmse000263 1 22 L. Schriml L. M. ? bmse000263 1 23 E. Sequeira E. ? ? bmse000263 1 24 S. Sherry S. T. ? bmse000263 1 25 K. Sirotkin K. ? ? bmse000263 1 26 A. Souvorov A. ? ? bmse000263 1 27 G. Starchenko G. ? ? bmse000263 1 28 T. Suzek T. O. ? bmse000263 1 29 R. Tatusov R. ? ? bmse000263 1 30 T. Tatusova T. A. ? bmse000263 1 31 L. Bagner L. ? ? bmse000263 1 32 E. Yaschenko E. ? ? bmse000263 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID bmse000263 _Assembly.ID 1 _Assembly.Name NADP+ _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 NADP 1 $NADP yes native no no . . . bmse000263 1 stop_ save_ save_NADP _Entity.Sf_category entity _Entity.Sf_framecode NADP _Entity.Entry_ID bmse000263 _Entity.ID 1 _Entity.BMRB_code ? _Entity.Name NADP+ _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 bmse000263 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 bmse000263 _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 $NADP . n/a "multiple natural sources" yes "not applicable" n/a . . n/a n/a n/a n/a . . . . . . . . . . . . . . . . . . . . . bmse000263 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 bmse000263 _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 $NADP . "chemical synthesis" . . . . . . . . . . . . . . . . . . . . . . . . . . . . . bmse000263 1 stop_ save_ save_chem_comp_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1 _Chem_comp.Entry_ID bmse000263 _Chem_comp.ID 1 _Chem_comp.Provenance PubChem _Chem_comp.Name NADP+ _Chem_comp.Type non-polymer _Chem_comp.BMRB_code ? _Chem_comp.PDB_code ? _Chem_comp.InCHi_code ; InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/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 yes _Chem_comp.Formula 'C21 H29 N7 O17 P3 +' _Chem_comp.Formula_weight 744.412943 _Chem_comp.Formula_mono_iso_wt_nat 744.083277073 _Chem_comp.Formula_mono_iso_wt_13C 765.1537286668 _Chem_comp.Formula_mono_iso_wt_15N 751.0625213254 _Chem_comp.Formula_mono_iso_wt_13C_15N 772.1329729192 _Chem_comp.Image_file_name standards/NADP/lit/3308.png _Chem_comp.Image_file_format png _Chem_comp.Topo_file_name ? _Chem_comp.Topo_file_format ? _Chem_comp.Struct_file_name standards/NADP/lit/3308.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 "beta-Nicotinamide adenine dinucleotide phosphate" synonym bmse000263 1 ; Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5',5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt ; synonym bmse000263 1 "Cozymase II" synonym bmse000263 1 "Nicotinamide adenine dinucleotide phosphate" synonym bmse000263 1 "NAD phosphate" synonym bmse000263 1 "Nadide phosphate" synonym bmse000263 1 "Codehydrase II" synonym bmse000263 1 ; Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt ; synonym bmse000263 1 ; Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'->'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt ; synonym bmse000263 1 NADP+ synonym bmse000263 1 "TPN (nucleotide)" synonym bmse000263 1 "Coenzyme II" synonym bmse000263 1 TPN synonym bmse000263 1 "Codehydrogenase II" synonym bmse000263 1 NADP synonym bmse000263 1 "Triphosphopyridine nucleotide" synonym bmse000263 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 ; [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid ; IUPAC bmse000263 1 ; [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid ; IUPAC_TRADITIONAL bmse000263 1 ; [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid ; IUPAC_OPENEYE bmse000263 1 ; [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid ; IUPAC_CAS bmse000263 1 ; [(2R,3R,4S,5S)-5-[[[[(2S,3S,4R,5R)-5-(5-aminocarbonylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid ; IUPAC_SYSTEMATIC bmse000263 1 stop_ loop_ _Chem_comp_SMILES.Type _Chem_comp_SMILES.String _Chem_comp_SMILES.Entry_ID _Chem_comp_SMILES.Comp_ID canonical ; C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N ; bmse000263 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 P1 P ? ? ? ? 7.9770 1.0259 bmse000263 1 P2 P ? ? ? ? 9.2621 -0.1353 bmse000263 1 P3 P ? ? ? ? 13.5257 -3.7428 bmse000263 1 O4 O ? ? ? ? 8.9548 0.8163 bmse000263 1 O5 O ? ? ? ? 6.9992 1.2355 bmse000263 1 O6 O ? ? ? ? 9.5695 -1.0869 bmse000263 1 O7 O ? ? ? ? 12.6115 -4.1479 bmse000263 1 O8 O ? ? ? ? 8.1866 2.0037 bmse000263 1 O9 O ? ? ? ? 8.3106 -0.4427 bmse000263 1 O10 O ? ? ? ? 14.4400 -3.3376 bmse000263 1 O11 O ? ? ? ? 13.9309 -4.6570 bmse000263 1 O12 O ? ? ? ? 3.1903 1.8252 bmse000263 1 O13 O ? ? ? ? 5.0726 0.7341 bmse000263 1 O14 O ? ? ? ? 12.6152 -1.9724 bmse000263 1 O15 O ? ? ? ? 5.3089 3.3109 bmse000263 1 O16 O ? ? ? ? 10.2655 -3.0561 bmse000263 1 O17 O ? ? ? ? 7.7674 0.0481 bmse000263 1 O18 O ? ? ? ? 10.2137 0.1721 bmse000263 1 O19 O ? ? ? ? 13.1206 -2.8285 bmse000263 1 O20 O ? ? ? ? 4.5783 6.8040 bmse000263 1 N21 N ? ? ? ? 2.9320 7.3421 bmse000263 1 N22 N ? ? ? ? 8.7290 -7.6214 bmse000263 1 N23 N ? ? ? ? 3.6463 3.9524 bmse000263 1 N24 N ? ? ? ? 10.5412 -4.8167 bmse000263 1 N25 N ? ? ? ? 10.5412 -6.4261 bmse000263 1 N26 N ? ? ? ? 7.8629 -6.1214 bmse000263 1 N27 N ? ? ? ? 8.7290 -4.6214 bmse000263 1 C28 C ? ? ? ? 6.6918 2.1871 bmse000263 1 C29 C ? ? ? ? 10.5473 -1.2965 bmse000263 1 C30 C ? ? ? ? 4.3142 3.2081 bmse000263 1 C31 C ? ? ? ? 10.8519 -3.8661 bmse000263 1 C32 C ? ? ? ? 5.7140 2.3967 bmse000263 1 C33 C ? ? ? ? 10.8547 -2.2481 bmse000263 1 C34 C ? ? ? ? 4.1046 2.2303 bmse000263 1 C35 C ? ? ? ? 11.8035 -3.5588 bmse000263 1 C36 C ? ? ? ? 4.9697 1.7288 bmse000263 1 C37 C ? ? ? ? 11.8052 -2.5588 bmse000263 1 C38 C ? ? ? ? 3.5998 6.5978 bmse000263 1 C39 C ? ? ? ? 8.7290 -6.6214 bmse000263 1 C40 C ? ? ? ? 9.5950 -5.1214 bmse000263 1 C41 C ? ? ? ? 9.5950 -6.1214 bmse000263 1 C42 C ? ? ? ? 3.2892 5.6472 bmse000263 1 C43 C ? ? ? ? 11.1248 -5.6214 bmse000263 1 C44 C ? ? ? ? 7.8629 -5.1214 bmse000263 1 C45 C ? ? ? ? 3.9570 4.9029 bmse000263 1 C46 C ? ? ? ? 2.6678 3.7462 bmse000263 1 C47 C ? ? ? ? 2.3107 5.4410 bmse000263 1 C48 C ? ? ? ? 2.0000 4.4905 bmse000263 1 H49 H ? ? ? ? 8.7766 2.1942 bmse000263 1 H50 H ? ? ? ? 8.1806 -1.0489 bmse000263 1 H51 H ? ? ? ? 14.5474 -4.7229 bmse000263 1 H52 H ? ? ? ? 14.9409 -3.7029 bmse000263 1 H53 H ? ? ? ? 3.1245 1.2087 bmse000263 1 H54 H ? ? ? ? 4.5703 0.3706 bmse000263 1 H55 H ? ? ? ? 12.5515 -1.3557 bmse000263 1 H56 H ? ? ? ? 2.3253 7.2142 bmse000263 1 H57 H ? ? ? ? 3.1246 7.9314 bmse000263 1 H58 H ? ? ? ? 8.1920 -7.9314 bmse000263 1 H59 H ? ? ? ? 9.2659 -7.9314 bmse000263 1 H60 H ? ? ? ? 7.3060 2.2723 bmse000263 1 H61 H ? ? ? ? 6.7145 2.8067 bmse000263 1 H62 H ? ? ? ? 11.1614 -1.2113 bmse000263 1 H63 H ? ? ? ? 10.5700 -0.6769 bmse000263 1 H64 H ? ? ? ? 4.5374 3.7866 bmse000263 1 H65 H ? ? ? ? 11.2895 -4.3053 bmse000263 1 H66 H ? ? ? ? 6.1051 2.8778 bmse000263 1 H67 H ? ? ? ? 10.2425 -2.1501 bmse000263 1 H68 H ? ? ? ? 3.6234 2.6213 bmse000263 1 H69 H ? ? ? ? 11.7054 -4.1710 bmse000263 1 H70 H ? ? ? ? 5.5482 1.5056 bmse000263 1 H71 H ? ? ? ? 12.3571 -2.8412 bmse000263 1 H72 H ? ? ? ? 11.7448 -5.6214 bmse000263 1 H73 H ? ? ? ? 7.3260 -4.8114 bmse000263 1 H74 H ? ? ? ? 4.5637 5.0308 bmse000263 1 H75 H ? ? ? ? 2.4752 3.1569 bmse000263 1 H76 H ? ? ? ? 1.8966 5.9025 bmse000263 1 H77 H ? ? ? ? 1.3933 4.3626 bmse000263 1 stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID P1 P1 BMRB bmse000263 1 P2 P2 BMRB bmse000263 1 P3 P3 BMRB bmse000263 1 O4 O4 BMRB bmse000263 1 O5 O5 BMRB bmse000263 1 O6 O6 BMRB bmse000263 1 O7 O7 BMRB bmse000263 1 O8 O8 BMRB bmse000263 1 O9 O9 BMRB bmse000263 1 O10 O10 BMRB bmse000263 1 O11 O11 BMRB bmse000263 1 O12 O12 BMRB bmse000263 1 O13 O13 BMRB bmse000263 1 O14 O14 BMRB bmse000263 1 O15 O15 BMRB bmse000263 1 O16 O16 BMRB bmse000263 1 O17 O17 BMRB bmse000263 1 O18 O18 BMRB bmse000263 1 O19 O19 BMRB bmse000263 1 O20 O20 BMRB bmse000263 1 N21 N21 BMRB bmse000263 1 N22 N22 BMRB bmse000263 1 N23 N23 BMRB bmse000263 1 N24 N24 BMRB bmse000263 1 N25 N25 BMRB bmse000263 1 N26 N26 BMRB bmse000263 1 N27 N27 BMRB bmse000263 1 C28 C28 BMRB bmse000263 1 C29 C29 BMRB bmse000263 1 C30 C30 BMRB bmse000263 1 C31 C31 BMRB bmse000263 1 C32 C32 BMRB bmse000263 1 C33 C33 BMRB bmse000263 1 C34 C34 BMRB bmse000263 1 C35 C35 BMRB bmse000263 1 C36 C36 BMRB bmse000263 1 C37 C37 BMRB bmse000263 1 C38 C38 BMRB bmse000263 1 C39 C39 BMRB bmse000263 1 C40 C40 BMRB bmse000263 1 C41 C41 BMRB bmse000263 1 C42 C42 BMRB bmse000263 1 C43 C43 BMRB bmse000263 1 C44 C44 BMRB bmse000263 1 C45 C45 BMRB bmse000263 1 C46 C46 BMRB bmse000263 1 C47 C47 BMRB bmse000263 1 C48 C48 BMRB bmse000263 1 H49 H49 BMRB bmse000263 1 H50 H50 BMRB bmse000263 1 H51 H51 BMRB bmse000263 1 H52 H52 BMRB bmse000263 1 H53 H53 BMRB bmse000263 1 H54 H54 BMRB bmse000263 1 H55 H55 BMRB bmse000263 1 H56 H56 BMRB bmse000263 1 H57 H57 BMRB bmse000263 1 H58 H58 BMRB bmse000263 1 H59 H59 BMRB bmse000263 1 H60 H60 BMRB bmse000263 1 H61 H61 BMRB bmse000263 1 H62 H62 BMRB bmse000263 1 H63 H63 BMRB bmse000263 1 H64 H64 BMRB bmse000263 1 H65 H65 BMRB bmse000263 1 H66 H66 BMRB bmse000263 1 H67 H67 BMRB bmse000263 1 H68 H68 BMRB bmse000263 1 H69 H69 BMRB bmse000263 1 H70 H70 BMRB bmse000263 1 H71 H71 BMRB bmse000263 1 H72 H72 BMRB bmse000263 1 H73 H73 BMRB bmse000263 1 H74 H74 BMRB bmse000263 1 H75 H75 BMRB bmse000263 1 H76 H76 BMRB bmse000263 1 H77 H77 BMRB bmse000263 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 P1 O4 ? bmse000263 1 2 covalent SING P1 O5 ? bmse000263 1 3 covalent SING P1 O8 ? bmse000263 1 4 covalent DOUB P1 O17 ? bmse000263 1 5 covalent SING P2 O4 ? bmse000263 1 6 covalent SING P2 O6 ? bmse000263 1 7 covalent SING P2 O9 ? bmse000263 1 8 covalent DOUB P2 O18 ? bmse000263 1 9 covalent SING P3 O7 ? bmse000263 1 10 covalent SING P3 O10 ? bmse000263 1 11 covalent SING P3 O11 ? bmse000263 1 12 covalent DOUB P3 O19 ? bmse000263 1 13 covalent SING O5 C28 ? bmse000263 1 14 covalent SING O6 C29 ? bmse000263 1 15 covalent SING C35 O7 ? bmse000263 1 16 covalent SING O8 H49 ? bmse000263 1 17 covalent SING O9 H50 ? bmse000263 1 18 covalent SING O10 H52 ? bmse000263 1 19 covalent SING O11 H51 ? bmse000263 1 20 covalent SING C34 O12 ? bmse000263 1 21 covalent SING O12 H53 ? bmse000263 1 22 covalent SING C36 O13 ? bmse000263 1 23 covalent SING O13 H54 ? bmse000263 1 24 covalent SING C37 O14 ? bmse000263 1 25 covalent SING O14 H55 ? bmse000263 1 26 covalent SING O15 C30 ? bmse000263 1 27 covalent SING O15 C32 ? bmse000263 1 28 covalent SING O16 C31 ? bmse000263 1 29 covalent SING O16 C33 ? bmse000263 1 30 covalent DOUB O20 C38 ? bmse000263 1 31 covalent SING N21 C38 ? bmse000263 1 32 covalent SING N21 H56 ? bmse000263 1 33 covalent SING N21 H57 ? bmse000263 1 34 covalent SING N22 C39 ? bmse000263 1 35 covalent SING N22 H58 ? bmse000263 1 36 covalent SING N22 H59 ? bmse000263 1 37 covalent SING C30 N23 ? bmse000263 1 38 covalent SING N23 C45 ? bmse000263 1 39 covalent DOUB N23 C46 ? bmse000263 1 40 covalent SING C31 N24 ? bmse000263 1 41 covalent SING N24 C40 ? bmse000263 1 42 covalent SING N24 C43 ? bmse000263 1 43 covalent SING N25 C41 ? bmse000263 1 44 covalent DOUB N25 C43 ? bmse000263 1 45 covalent SING N26 C39 ? bmse000263 1 46 covalent DOUB N26 C44 ? bmse000263 1 47 covalent DOUB N27 C40 ? bmse000263 1 48 covalent SING N27 C44 ? bmse000263 1 49 covalent SING C32 C28 ? bmse000263 1 50 covalent SING C28 H60 ? bmse000263 1 51 covalent SING C28 H61 ? bmse000263 1 52 covalent SING C33 C29 ? bmse000263 1 53 covalent SING C29 H62 ? bmse000263 1 54 covalent SING C29 H63 ? bmse000263 1 55 covalent SING C30 C34 ? bmse000263 1 56 covalent SING C30 H64 ? bmse000263 1 57 covalent SING C31 C35 ? bmse000263 1 58 covalent SING C31 H65 ? bmse000263 1 59 covalent SING C32 C36 ? bmse000263 1 60 covalent SING C32 H66 ? bmse000263 1 61 covalent SING C33 C37 ? bmse000263 1 62 covalent SING C33 H67 ? bmse000263 1 63 covalent SING C34 C36 ? bmse000263 1 64 covalent SING C34 H68 ? bmse000263 1 65 covalent SING C35 C37 ? bmse000263 1 66 covalent SING C35 H69 ? bmse000263 1 67 covalent SING C36 H70 ? bmse000263 1 68 covalent SING C37 H71 ? bmse000263 1 69 covalent SING C38 C42 ? bmse000263 1 70 covalent DOUB C39 C41 ? bmse000263 1 71 covalent SING C40 C41 ? bmse000263 1 72 covalent DOUB C42 C45 ? bmse000263 1 73 covalent SING C42 C47 ? bmse000263 1 74 covalent SING C43 H72 ? bmse000263 1 75 covalent SING C44 H73 ? bmse000263 1 76 covalent SING C45 H74 ? bmse000263 1 77 covalent SING C46 C48 ? bmse000263 1 78 covalent SING C46 H75 ? bmse000263 1 79 covalent DOUB C47 C48 ? bmse000263 1 80 covalent SING C47 H76 ? bmse000263 1 81 covalent SING C48 H77 ? bmse000263 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 85165069 sid ? NADP+ ? "matching entry" ? bmse000263 1 no PubChem 148688 sid ? NADP+ ? "matching entry" ? bmse000263 1 no PubChem 3308 sid ? NADP+ ? "matching entry" ? bmse000263 1 no PubChem 5885 cid ? NADP+ ? "matching entry" ? bmse000263 1 no KEGG C00006 "compound ID" ? NADP+ ? "matching entry" ? bmse000263 1 no ChemIDplus 000053598 ? ? NADP+ ? "matching entry" ? bmse000263 1 no "CAS Registry" 53-59-8 "registry number" ? NADP+ ? "matching entry" ? bmse000263 1 no "CAS Registry" 27678-67-7 "registry number" ? NADP+ ? "matching entry" ? bmse000263 1 no "CAS Registry" 10213-33-9 "registry number" ? NADP+ ? "matching entry" ? bmse000263 1 no "CAS Registry" 162195-92-8 "registry number" ? NADP+ ? "matching entry" ? bmse000263 1 no "CAS Registry" 25158-33-2 "registry number" ? NADP+ ? "matching entry" ? bmse000263 1 no EINECS 200-178-1 ? ? NADP+ ? "matching entry" ? bmse000263 1 no "Beilstein Handbook Reference" 4-26-00-03672 ? ? NADP+ ? "matching entry" ? bmse000263 1 no PDB NAP "Chemical Component" ? NADP+ ? "matching entry" ? bmse000263 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 bmse000263 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID bmse000263 _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 NADP+ "natural abundance" 1 $NADP ? Solute saturated ? ? mM ? Sigma NADP N-3886 bmse000263 1 2 D2O ? 1 ? ? Solvent 100 ? ? % ? ? ? ? bmse000263 1 3 "sodium phosphate" ? 1 ? ? Buffer 50 ? ? mM ? ? ? ? bmse000263 1 4 "sodium azide" ? 1 ? ? Cytocide 500 ? ? uM ? ? ? ? bmse000263 1 5 DSS ? 1 ? ? Reference 500 ? ? uM ? ? ? ? bmse000263 1 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 bmse000263 _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 bmse000263 1 temperature 298 ? K bmse000263 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID bmse000263 _Software.ID 1 _Software.Name NMRPipe _Software.Version ? _Software.Details ? loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax" ? ? bmse000263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing bmse000263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID bmse000263 _Software.ID 2 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details ? loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Bruker Biospin" ? ? bmse000263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Collection bmse000263 2 Processing bmse000263 2 "Data analysis" bmse000263 2 "Peak picking" bmse000263 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID bmse000263 _Software.ID 3 _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" ? ? bmse000263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Collection bmse000263 3 Processing bmse000263 3 "Data analysis" bmse000263 3 "Peak picking" bmse000263 3 stop_ save_ save_Bruker_DMX_400 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX_400 _NMR_spectrometer.Entry_ID bmse000263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Field_strength 400 save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID bmse000263 _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" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 1 2 "2D [1H,1H]-TOCSY" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 1 3 "1D 13C" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 1 4 "1D DEPT90" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 1 5 "1D DEPT135" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 1 6 "2D [1H,13C]-HSQC" yes ? ? 1 $sample_1 isotropic 1 $sample_conditions_1 1 $Bruker_DMX_400 ? ? bmse000263 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/NADP/nmr/bmse000263/1H/* "Time-domain (raw spectral data)" ? bmse000263 1 1 standards/NADP/nmr/bmse000263/peak_lists/1H.list "Peak lists" ? bmse000263 1 1 standards/NADP/nmr/bmse000263/spectra_png/1H.png "Spectral image" ? bmse000263 1 2 standards/NADP/nmr/bmse000263/HH_TOCSY/* "Time-domain (raw spectral data)" ? bmse000263 1 2 standards/NADP/nmr/bmse000263/spectra_png/HH_TOCSY.png "Spectral image" ? bmse000263 1 3 standards/NADP/nmr/bmse000263/13C/* "Time-domain (raw spectral data)" ? bmse000263 1 3 standards/NADP/nmr/bmse000263/peak_lists/13C.list "Peak lists" ? bmse000263 1 3 standards/NADP/nmr/bmse000263/spectra_png/13C.png "Spectral image" ? bmse000263 1 4 standards/NADP/nmr/bmse000263/DEPT_90/* "Time-domain (raw spectral data)" ? bmse000263 1 4 standards/NADP/nmr/bmse000263/peak_lists/DEPT_90.list "Peak lists" ? bmse000263 1 4 standards/NADP/nmr/bmse000263/spectra_png/DEPT_90.png "Spectral image" ? bmse000263 1 5 standards/NADP/nmr/bmse000263/DEPT_135/* "Time-domain (raw spectral data)" ? bmse000263 1 5 standards/NADP/nmr/bmse000263/peak_lists/DEPT_135.list "Peak lists" ? bmse000263 1 5 standards/NADP/nmr/bmse000263/spectra_png/DEPT_135.png "Spectral image" ? bmse000263 1 6 standards/NADP/nmr/bmse000263/1H_13C_HSQC/* "Time-domain (raw spectral data)" ? bmse000263 1 6 standards/NADP/nmr/bmse000263/peak_lists/1H_13C_HSQC.list "Peak lists" ? bmse000263 1 6 standards/NADP/nmr/bmse000263/spectra_png/1H_13C_HSQC.png "Spectral image" ? bmse000263 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 bmse000263 _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 ? ? ? bmse000263 1 C 13 DSS "methyl protons" ppm 0.00 ? indirect 0.251449530 ? ? ? bmse000263 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 bmse000263 _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" 1 $sample_1 bmse000263 1 2 "2D [1H,1H]-TOCSY" 1 $sample_1 bmse000263 1 3 "1D 13C" 1 $sample_1 bmse000263 1 4 "1D DEPT90" 1 $sample_1 bmse000263 1 5 "1D DEPT135" 1 $sample_1 bmse000263 1 6 "2D [1H,13C]-HSQC" 1 $sample_1 bmse000263 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_3 ? ? bmse000263 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 C28 C 13 68.219 ? ? 4 ? ? ? C28 ? bmse000263 1 2 1 1 1 C28 C 13 67.675 ? ? 4 ? ? ? C28 ? bmse000263 1 3 1 1 1 C29 C 13 68.219 ? ? 4 ? ? ? C29 ? bmse000263 1 4 1 1 1 C29 C 13 67.675 ? ? 4 ? ? ? C29 ? bmse000263 1 5 1 1 1 C30 C 13 89.822 ? ? 4 ? ? ? C30 ? bmse000263 1 6 1 1 1 C30 C 13 89.734 ? ? 4 ? ? ? C30 ? bmse000263 1 7 1 1 1 C30 C 13 89.254 ? ? 4 ? ? ? C30 ? bmse000263 1 8 1 1 1 C30 C 13 89.172 ? ? 4 ? ? ? C30 ? bmse000263 1 9 1 1 1 C30 C 13 85.747 ? ? 4 ? ? ? C30 ? bmse000263 1 10 1 1 1 C30 C 13 85.658 ? ? 4 ? ? ? C30 ? bmse000263 1 11 1 1 1 C30 C 13 80.322 ? ? 4 ? ? ? C30 ? bmse000263 1 12 1 1 1 C30 C 13 78.764 ? ? 4 ? ? ? C30 ? bmse000263 1 13 1 1 1 C30 C 13 78.722 ? ? 4 ? ? ? C30 ? bmse000263 1 14 1 1 1 C30 C 13 73.373 ? ? 4 ? ? ? C30 ? bmse000263 1 15 1 1 1 C30 C 13 72.734 ? ? 4 ? ? ? C30 ? bmse000263 1 16 1 1 1 C30 C 13 102.729 ? ? 4 ? ? ? C30 ? bmse000263 1 17 1 1 1 C31 C 13 89.822 ? ? 4 ? ? ? C31 ? bmse000263 1 18 1 1 1 C31 C 13 89.734 ? ? 4 ? ? ? C31 ? bmse000263 1 19 1 1 1 C31 C 13 89.254 ? ? 4 ? ? ? C31 ? bmse000263 1 20 1 1 1 C31 C 13 89.172 ? ? 4 ? ? ? C31 ? bmse000263 1 21 1 1 1 C31 C 13 85.747 ? ? 4 ? ? ? C31 ? bmse000263 1 22 1 1 1 C31 C 13 85.658 ? ? 4 ? ? ? C31 ? bmse000263 1 23 1 1 1 C31 C 13 80.322 ? ? 4 ? ? ? C31 ? bmse000263 1 24 1 1 1 C31 C 13 78.764 ? ? 4 ? ? ? C31 ? bmse000263 1 25 1 1 1 C31 C 13 78.722 ? ? 4 ? ? ? C31 ? bmse000263 1 26 1 1 1 C31 C 13 73.373 ? ? 4 ? ? ? C31 ? bmse000263 1 27 1 1 1 C31 C 13 72.734 ? ? 4 ? ? ? C31 ? bmse000263 1 28 1 1 1 C31 C 13 102.729 ? ? 4 ? ? ? C31 ? bmse000263 1 29 1 1 1 C32 C 13 89.822 ? ? 4 ? ? ? C32 ? bmse000263 1 30 1 1 1 C32 C 13 89.734 ? ? 4 ? ? ? C32 ? bmse000263 1 31 1 1 1 C32 C 13 89.254 ? ? 4 ? ? ? C32 ? bmse000263 1 32 1 1 1 C32 C 13 89.172 ? ? 4 ? ? ? C32 ? bmse000263 1 33 1 1 1 C32 C 13 85.747 ? ? 4 ? ? ? C32 ? bmse000263 1 34 1 1 1 C32 C 13 85.658 ? ? 4 ? ? ? C32 ? bmse000263 1 35 1 1 1 C32 C 13 80.322 ? ? 4 ? ? ? C32 ? bmse000263 1 36 1 1 1 C32 C 13 78.764 ? ? 4 ? ? ? C32 ? bmse000263 1 37 1 1 1 C32 C 13 78.722 ? ? 4 ? ? ? C32 ? bmse000263 1 38 1 1 1 C32 C 13 73.373 ? ? 4 ? ? ? C32 ? bmse000263 1 39 1 1 1 C32 C 13 72.734 ? ? 4 ? ? ? C32 ? bmse000263 1 40 1 1 1 C33 C 13 89.822 ? ? 4 ? ? ? C33 ? bmse000263 1 41 1 1 1 C33 C 13 89.734 ? ? 4 ? ? ? C33 ? bmse000263 1 42 1 1 1 C33 C 13 89.254 ? ? 4 ? ? ? C33 ? bmse000263 1 43 1 1 1 C33 C 13 89.172 ? ? 4 ? ? ? C33 ? bmse000263 1 44 1 1 1 C33 C 13 85.747 ? ? 4 ? ? ? C33 ? bmse000263 1 45 1 1 1 C33 C 13 85.658 ? ? 4 ? ? ? C33 ? bmse000263 1 46 1 1 1 C33 C 13 80.322 ? ? 4 ? ? ? C33 ? bmse000263 1 47 1 1 1 C33 C 13 78.764 ? ? 4 ? ? ? C33 ? bmse000263 1 48 1 1 1 C33 C 13 78.722 ? ? 4 ? ? ? C33 ? bmse000263 1 49 1 1 1 C33 C 13 73.373 ? ? 4 ? ? ? C33 ? bmse000263 1 50 1 1 1 C33 C 13 72.734 ? ? 4 ? ? ? C33 ? bmse000263 1 51 1 1 1 C34 C 13 89.822 ? ? 4 ? ? ? C34 ? bmse000263 1 52 1 1 1 C34 C 13 89.734 ? ? 4 ? ? ? C34 ? bmse000263 1 53 1 1 1 C34 C 13 89.254 ? ? 4 ? ? ? C34 ? bmse000263 1 54 1 1 1 C34 C 13 89.172 ? ? 4 ? ? ? C34 ? bmse000263 1 55 1 1 1 C34 C 13 85.747 ? ? 4 ? ? ? C34 ? bmse000263 1 56 1 1 1 C34 C 13 85.658 ? ? 4 ? ? ? C34 ? bmse000263 1 57 1 1 1 C34 C 13 80.322 ? ? 4 ? ? ? C34 ? bmse000263 1 58 1 1 1 C34 C 13 78.764 ? ? 4 ? ? ? C34 ? bmse000263 1 59 1 1 1 C34 C 13 78.722 ? ? 4 ? ? ? C34 ? bmse000263 1 60 1 1 1 C34 C 13 73.373 ? ? 4 ? ? ? C34 ? bmse000263 1 61 1 1 1 C34 C 13 72.734 ? ? 4 ? ? ? C34 ? bmse000263 1 62 1 1 1 C35 C 13 89.822 ? ? 4 ? ? ? C35 ? bmse000263 1 63 1 1 1 C35 C 13 89.734 ? ? 4 ? ? ? C35 ? bmse000263 1 64 1 1 1 C35 C 13 89.254 ? ? 4 ? ? ? C35 ? bmse000263 1 65 1 1 1 C35 C 13 89.172 ? ? 4 ? ? ? C35 ? bmse000263 1 66 1 1 1 C35 C 13 85.747 ? ? 4 ? ? ? C35 ? bmse000263 1 67 1 1 1 C35 C 13 85.658 ? ? 4 ? ? ? C35 ? bmse000263 1 68 1 1 1 C35 C 13 80.322 ? ? 4 ? ? ? C35 ? bmse000263 1 69 1 1 1 C35 C 13 78.764 ? ? 4 ? ? ? C35 ? bmse000263 1 70 1 1 1 C35 C 13 78.722 ? ? 4 ? ? ? C35 ? bmse000263 1 71 1 1 1 C35 C 13 73.373 ? ? 4 ? ? ? C35 ? bmse000263 1 72 1 1 1 C35 C 13 72.734 ? ? 4 ? ? ? C35 ? bmse000263 1 73 1 1 1 C36 C 13 89.822 ? ? 4 ? ? ? C36 ? bmse000263 1 74 1 1 1 C36 C 13 89.734 ? ? 4 ? ? ? C36 ? bmse000263 1 75 1 1 1 C36 C 13 89.254 ? ? 4 ? ? ? C36 ? bmse000263 1 76 1 1 1 C36 C 13 89.172 ? ? 4 ? ? ? C36 ? bmse000263 1 77 1 1 1 C36 C 13 85.747 ? ? 4 ? ? ? C36 ? bmse000263 1 78 1 1 1 C36 C 13 85.658 ? ? 4 ? ? ? C36 ? bmse000263 1 79 1 1 1 C36 C 13 80.322 ? ? 4 ? ? ? C36 ? bmse000263 1 80 1 1 1 C36 C 13 78.764 ? ? 4 ? ? ? C36 ? bmse000263 1 81 1 1 1 C36 C 13 78.722 ? ? 4 ? ? ? C36 ? bmse000263 1 82 1 1 1 C36 C 13 73.373 ? ? 4 ? ? ? C36 ? bmse000263 1 83 1 1 1 C36 C 13 72.734 ? ? 4 ? ? ? C36 ? bmse000263 1 84 1 1 1 C37 C 13 89.822 ? ? 4 ? ? ? C37 ? bmse000263 1 85 1 1 1 C37 C 13 89.734 ? ? 4 ? ? ? C37 ? bmse000263 1 86 1 1 1 C37 C 13 89.254 ? ? 4 ? ? ? C37 ? bmse000263 1 87 1 1 1 C37 C 13 89.172 ? ? 4 ? ? ? C37 ? bmse000263 1 88 1 1 1 C37 C 13 85.747 ? ? 4 ? ? ? C37 ? bmse000263 1 89 1 1 1 C37 C 13 85.658 ? ? 4 ? ? ? C37 ? bmse000263 1 90 1 1 1 C37 C 13 80.322 ? ? 4 ? ? ? C37 ? bmse000263 1 91 1 1 1 C37 C 13 78.764 ? ? 4 ? ? ? C37 ? bmse000263 1 92 1 1 1 C37 C 13 78.722 ? ? 4 ? ? ? C37 ? bmse000263 1 93 1 1 1 C37 C 13 73.373 ? ? 4 ? ? ? C37 ? bmse000263 1 94 1 1 1 C37 C 13 72.734 ? ? 4 ? ? ? C37 ? bmse000263 1 95 1 1 1 C38 C 13 167.850 ? ? 1 ? ? ? C38 ? bmse000263 1 96 1 1 1 C39 C 13 158.115 ? ? 1 ? ? ? C39 ? bmse000263 1 97 1 1 1 C40 C 13 151.676 ? ? 1 ? ? ? C40 ? bmse000263 1 98 1 1 1 C41 C 13 121.161 ? ? 1 ? ? ? C41 ? bmse000263 1 99 1 1 1 C42 C 13 136.304 ? ? 1 ? ? ? C42 ? bmse000263 1 100 1 1 1 C43 C 13 142.889 ? ? 4 ? ? ? C43 ? bmse000263 1 101 1 1 1 C43 C 13 142.548 ? ? 4 ? ? ? C43 ? bmse000263 1 102 1 1 1 C44 C 13 155.428 ? ? 1 ? ? ? C44 ? bmse000263 1 103 1 1 1 C45 C 13 142.889 ? ? 4 ? ? ? C45 ? bmse000263 1 104 1 1 1 C45 C 13 142.548 ? ? 4 ? ? ? C45 ? bmse000263 1 105 1 1 1 C46 C 13 148.375 ? ? 4 ? ? ? C46 ? bmse000263 1 106 1 1 1 C46 C 13 145.017 ? ? 4 ? ? ? C46 ? bmse000263 1 107 1 1 1 C47 C 13 148.375 ? ? 4 ? ? ? C47 ? bmse000263 1 108 1 1 1 C47 C 13 145.017 ? ? 4 ? ? ? C47 ? bmse000263 1 109 1 1 1 C48 C 13 131.345 ? ? 1 ? ? ? C48 ? bmse000263 1 110 1 1 1 H60 H 1 4.297 ? ? 4 ? ? ? H60 ? bmse000263 1 111 1 1 1 H60 H 1 4.208 ? ? 4 ? ? ? H60 ? bmse000263 1 112 1 1 1 H61 H 1 4.297 ? ? 4 ? ? ? H61 ? bmse000263 1 113 1 1 1 H61 H 1 4.208 ? ? 4 ? ? ? H61 ? bmse000263 1 114 1 1 1 H62 H 1 4.297 ? ? 4 ? ? ? H62 ? bmse000263 1 115 1 1 1 H62 H 1 4.208 ? ? 4 ? ? ? H62 ? bmse000263 1 116 1 1 1 H63 H 1 4.297 ? ? 4 ? ? ? H63 ? bmse000263 1 117 1 1 1 H63 H 1 4.208 ? ? 4 ? ? ? H63 ? bmse000263 1 118 1 1 1 H64 H 1 6.019 ? ? 4 ? ? ? H64 ? bmse000263 1 119 1 1 1 H65 H 1 4.958 ? ? 4 ? ? ? H65 ? bmse000263 1 120 1 1 1 H65 H 1 4.603 ? ? 4 ? ? ? H65 ? bmse000263 1 121 1 1 1 H65 H 1 4.468 ? ? 4 ? ? ? H65 ? bmse000263 1 122 1 1 1 H65 H 1 4.380 ? ? 4 ? ? ? H65 ? bmse000263 1 123 1 1 1 H65 H 1 6.087 ? ? 4 ? ? ? H65 ? bmse000263 1 124 1 1 1 H65 H 1 6.019 ? ? 4 ? ? ? H65 ? bmse000263 1 125 1 1 1 H66 H 1 4.958 ? ? 4 ? ? ? H66 ? bmse000263 1 126 1 1 1 H66 H 1 4.603 ? ? 4 ? ? ? H66 ? bmse000263 1 127 1 1 1 H66 H 1 4.468 ? ? 4 ? ? ? H66 ? bmse000263 1 128 1 1 1 H66 H 1 4.380 ? ? 4 ? ? ? H66 ? bmse000263 1 129 1 1 1 H67 H 1 4.958 ? ? 4 ? ? ? H67 ? bmse000263 1 130 1 1 1 H67 H 1 4.603 ? ? 4 ? ? ? H67 ? bmse000263 1 131 1 1 1 H67 H 1 4.468 ? ? 4 ? ? ? H67 ? bmse000263 1 132 1 1 1 H67 H 1 4.380 ? ? 4 ? ? ? H67 ? bmse000263 1 133 1 1 1 H68 H 1 4.958 ? ? 4 ? ? ? H68 ? bmse000263 1 134 1 1 1 H68 H 1 4.603 ? ? 4 ? ? ? H68 ? bmse000263 1 135 1 1 1 H68 H 1 4.468 ? ? 4 ? ? ? H68 ? bmse000263 1 136 1 1 1 H68 H 1 4.380 ? ? 4 ? ? ? H68 ? bmse000263 1 137 1 1 1 H69 H 1 4.958 ? ? 4 ? ? ? H69 ? bmse000263 1 138 1 1 1 H69 H 1 4.603 ? ? 4 ? ? ? H69 ? bmse000263 1 139 1 1 1 H69 H 1 4.468 ? ? 4 ? ? ? H69 ? bmse000263 1 140 1 1 1 H69 H 1 4.380 ? ? 4 ? ? ? H69 ? bmse000263 1 141 1 1 1 H70 H 1 4.958 ? ? 4 ? ? ? H70 ? bmse000263 1 142 1 1 1 H70 H 1 4.603 ? ? 4 ? ? ? H70 ? bmse000263 1 143 1 1 1 H70 H 1 4.468 ? ? 4 ? ? ? H70 ? bmse000263 1 144 1 1 1 H70 H 1 4.380 ? ? 4 ? ? ? H70 ? bmse000263 1 145 1 1 1 H71 H 1 4.958 ? ? 4 ? ? ? H71 ? bmse000263 1 146 1 1 1 H71 H 1 4.603 ? ? 4 ? ? ? H71 ? bmse000263 1 147 1 1 1 H71 H 1 4.468 ? ? 4 ? ? ? H71 ? bmse000263 1 148 1 1 1 H71 H 1 4.380 ? ? 4 ? ? ? H71 ? bmse000263 1 149 1 1 1 H72 H 1 9.281 ? ? 4 ? ? ? H72 ? bmse000263 1 150 1 1 1 H72 H 1 8.406 ? ? 4 ? ? ? H72 ? bmse000263 1 151 1 1 1 H73 H 1 8.125 ? ? 1 ? ? ? H73 ? bmse000263 1 152 1 1 1 H74 H 1 9.281 ? ? 4 ? ? ? H74 ? bmse000263 1 153 1 1 1 H74 H 1 8.406 ? ? 4 ? ? ? H74 ? bmse000263 1 154 1 1 1 H75 H 1 9.093 ? ? 4 ? ? ? H75 ? bmse000263 1 155 1 1 1 H75 H 1 8.802 ? ? 4 ? ? ? H75 ? bmse000263 1 156 1 1 1 H76 H 1 9.093 ? ? 4 ? ? ? H76 ? bmse000263 1 157 1 1 1 H76 H 1 8.802 ? ? 4 ? ? ? H76 ? bmse000263 1 158 1 1 1 H77 H 1 8.171 ? ? 1 ? ? ? H77 ? bmse000263 1 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 bmse000263 _Spectral_peak_list.ID 1 _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 1 _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" ? 4807.69230769231 ? ? bmse000263 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 2 $software_2 ? ? bmse000263 1 3 $software_3 ? ? bmse000263 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000263 1 2 ? ? bmse000263 1 3 ? ? bmse000263 1 4 ? ? bmse000263 1 5 ? ? bmse000263 1 6 ? ? bmse000263 1 7 ? ? bmse000263 1 8 ? ? bmse000263 1 9 ? ? bmse000263 1 10 ? ? bmse000263 1 11 ? ? bmse000263 1 12 ? ? bmse000263 1 13 ? ? bmse000263 1 14 ? ? bmse000263 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 1 0.5 integration bmse000263 1 2 1 0.5 integration bmse000263 1 3 1 0.5 integration bmse000263 1 4 1 0.5 integration bmse000263 1 5 1 0.5 integration bmse000263 1 6 1 0.5 integration bmse000263 1 7 1 0.5 integration bmse000263 1 8 1 0.5 integration bmse000263 1 9 1 0.5 integration bmse000263 1 10 1 0.5 integration bmse000263 1 11 3 0.5 integration bmse000263 1 12 3 0.5 integration bmse000263 1 13 3 0.5 integration bmse000263 1 14 3 0.5 integration bmse000263 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.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 9.281 ? ? ? s bmse000263 1 2 1 9.093 ? ? ? d bmse000263 1 3 1 8.802 ? ? ? d bmse000263 1 4 1 8.406 ? ? ? s bmse000263 1 5 1 8.171 ? ? ? t bmse000263 1 6 1 8.125 ? ? ? s bmse000263 1 7 1 6.087 ? ? ? d bmse000263 1 8 1 6.019 ? ? ? d bmse000263 1 9 1 4.958 ? ? ? q bmse000263 1 10 1 4.603 ? ? ? t bmse000263 1 11 1 4.468 ? ? ? m bmse000263 1 12 1 4.38 ? ? ? m bmse000263 1 13 1 4.297 ? ? ? m bmse000263 1 14 1 4.208 ? ? ? m bmse000263 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.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 ? ? 9.281 ? ? ? 1 1 1 1 H72 ? bmse000263 1 1 1 ? ? 9.281 ? ? ? 1 1 1 1 H74 ? bmse000263 1 2 1 ? ? 9.093 ? ? ? 1 1 1 1 H75 ? bmse000263 1 2 1 ? ? 9.093 ? ? ? 1 1 1 1 H76 ? bmse000263 1 3 1 ? ? 8.802 ? ? ? 1 1 1 1 H75 ? bmse000263 1 3 1 ? ? 8.802 ? ? ? 1 1 1 1 H76 ? bmse000263 1 4 1 ? ? 8.406 ? ? ? 1 1 1 1 H72 ? bmse000263 1 4 1 ? ? 8.406 ? ? ? 1 1 1 1 H74 ? bmse000263 1 5 1 ? ? 8.171 ? ? ? 1 1 1 1 H77 ? bmse000263 1 6 1 ? ? 8.125 ? ? ? 1 1 1 1 H73 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H65 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H66 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H67 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H68 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H69 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H70 ? bmse000263 1 7 1 ? ? 6.087 ? ? ? 1 1 1 1 H71 ? bmse000263 1 8 1 ? ? 6.019 ? ? ? 1 1 1 1 H64 ? bmse000263 1 8 1 ? ? 6.019 ? ? ? 1 1 1 1 H65 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H66 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H67 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H68 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H69 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H70 ? bmse000263 1 9 1 ? ? 4.958 ? ? ? 1 1 1 1 H71 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H66 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H67 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H68 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H69 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H70 ? bmse000263 1 10 1 ? ? 4.603 ? ? ? 1 1 1 1 H71 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H66 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H67 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H68 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H69 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H70 ? bmse000263 1 11 1 ? ? 4.468 ? ? ? 1 1 1 1 H71 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H66 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H67 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H68 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H69 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H70 ? bmse000263 1 12 1 ? ? 4.38 ? ? ? 1 1 1 1 H71 ? bmse000263 1 13 1 ? ? 4.297 ? ? ? 1 1 1 1 H60 ? bmse000263 1 13 1 ? ? 4.297 ? ? ? 1 1 1 1 H61 ? bmse000263 1 13 1 ? ? 4.297 ? ? ? 1 1 1 1 H62 ? bmse000263 1 13 1 ? ? 4.297 ? ? ? 1 1 1 1 H63 ? bmse000263 1 14 1 ? ? 4.208 ? ? ? 1 1 1 1 H60 ? bmse000263 1 14 1 ? ? 4.208 ? ? ? 1 1 1 1 H61 ? bmse000263 1 14 1 ? ? 4.208 ? ? ? 1 1 1 1 H62 ? bmse000263 1 14 1 ? ? 4.208 ? ? ? 1 1 1 1 H63 ? bmse000263 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 ? ? bmse000263 1 2 ? ? bmse000263 1 3 ? ? bmse000263 1 4 ? ? bmse000263 1 5 ? ? bmse000263 1 6 ? ? bmse000263 1 7 ? ? bmse000263 1 8 ? ? bmse000263 1 9 ? ? bmse000263 1 10 ? ? bmse000263 1 11 ? ? bmse000263 1 12 ? ? bmse000263 1 13 ? ? bmse000263 1 14 ? ? bmse000263 1 15 ? ? bmse000263 1 16 ? ? bmse000263 1 17 ? ? bmse000263 1 18 ? ? bmse000263 1 19 ? ? bmse000263 1 20 ? ? bmse000263 1 21 ? ? bmse000263 1 22 ? ? bmse000263 1 23 ? ? bmse000263 1 24 ? ? bmse000263 1 25 ? ? bmse000263 1 26 ? ? bmse000263 1 27 ? ? bmse000263 1 28 ? ? bmse000263 1 29 ? ? bmse000263 1 30 ? ? bmse000263 1 31 ? ? bmse000263 1 32 ? ? bmse000263 1 33 ? ? bmse000263 1 34 ? ? bmse000263 1 35 ? ? bmse000263 1 36 ? ? bmse000263 1 37 ? ? bmse000263 1 38 ? ? bmse000263 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 162922 ? Height bmse000263 1 2 92880 ? Height bmse000263 1 3 93957 ? Height bmse000263 1 4 83759 ? Height bmse000263 1 5 87215 ? Height bmse000263 1 6 223707 ? Height bmse000263 1 7 63228 ? Height bmse000263 1 8 86373 ? Height bmse000263 1 9 59069 ? Height bmse000263 1 10 208201 ? Height bmse000263 1 11 115359 ? Height bmse000263 1 12 115272 ? Height bmse000263 1 13 109469 ? Height bmse000263 1 14 110088 ? Height bmse000263 1 15 45400 ? Height bmse000263 1 16 80933 ? Height bmse000263 1 17 82699 ? Height bmse000263 1 18 50141 ? Height bmse000263 1 19 74319 ? Height bmse000263 1 20 119568 ? Height bmse000263 1 21 68338 ? Height bmse000263 1 22 111868 ? Height bmse000263 1 23 58060 ? Height bmse000263 1 24 115244 ? Height bmse000263 1 25 80399 ? Height bmse000263 1 26 100170 ? Height bmse000263 1 27 99888 ? Height bmse000263 1 28 88543 ? Height bmse000263 1 29 85274 ? Height bmse000263 1 30 53679 ? Height bmse000263 1 31 92917 ? Height bmse000263 1 32 85894 ? Height bmse000263 1 33 83055 ? Height bmse000263 1 34 92485 ? Height bmse000263 1 35 89887 ? Height bmse000263 1 36 73734 ? Height bmse000263 1 37 68048 ? Height bmse000263 1 38 53465 ? Height bmse000263 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 9.282 ? bmse000263 1 2 1 9.101 ? bmse000263 1 3 1 9.086 ? bmse000263 1 4 1 8.812 ? bmse000263 1 5 1 8.792 ? bmse000263 1 6 1 8.406 ? bmse000263 1 7 1 8.189 ? bmse000263 1 8 1 8.170 ? bmse000263 1 9 1 8.153 ? bmse000263 1 10 1 8.126 ? bmse000263 1 11 1 6.093 ? bmse000263 1 12 1 6.081 ? bmse000263 1 13 1 6.026 ? bmse000263 1 14 1 6.013 ? bmse000263 1 15 1 4.978 ? bmse000263 1 16 1 4.964 ? bmse000263 1 17 1 4.948 ? bmse000263 1 18 1 4.935 ? bmse000263 1 19 1 4.613 ? bmse000263 1 20 1 4.601 ? bmse000263 1 21 1 4.589 ? bmse000263 1 22 1 4.487 ? bmse000263 1 23 1 4.460 ? bmse000263 1 24 1 4.448 ? bmse000263 1 25 1 4.435 ? bmse000263 1 26 1 4.404 ? bmse000263 1 27 1 4.398 ? bmse000263 1 28 1 4.387 ? bmse000263 1 29 1 4.361 ? bmse000263 1 30 1 4.312 ? bmse000263 1 31 1 4.294 ? bmse000263 1 32 1 4.284 ? bmse000263 1 33 1 4.217 ? bmse000263 1 34 1 4.207 ? bmse000263 1 35 1 4.197 ? bmse000263 1 36 1 4.187 ? bmse000263 1 37 1 4.180 ? bmse000263 1 38 1 4.169 ? bmse000263 1 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 bmse000263 _Spectral_peak_list.ID 2 _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 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" ? 25062.656641604 ? ? bmse000263 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 2 $software_2 ? ? bmse000263 2 3 $software_3 ? ? bmse000263 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000263 2 2 ? ? bmse000263 2 3 ? ? bmse000263 2 4 ? ? bmse000263 2 5 ? ? bmse000263 2 6 ? ? bmse000263 2 7 ? ? bmse000263 2 8 ? ? bmse000263 2 9 ? ? bmse000263 2 10 ? ? bmse000263 2 11 ? ? bmse000263 2 12 ? ? bmse000263 2 13 ? ? bmse000263 2 14 ? ? bmse000263 2 15 ? ? bmse000263 2 16 ? ? bmse000263 2 17 ? ? bmse000263 2 18 ? ? bmse000263 2 19 ? ? bmse000263 2 20 ? ? bmse000263 2 21 ? ? bmse000263 2 22 ? ? bmse000263 2 23 ? ? bmse000263 2 24 ? ? bmse000263 2 25 ? ? bmse000263 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Coupling_pattern _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 167.850 ? ? ? ? bmse000263 2 2 1 158.115 ? ? ? ? bmse000263 2 3 1 155.428 ? ? ? ? bmse000263 2 4 1 151.676 ? ? ? ? bmse000263 2 5 1 148.375 ? ? ? ? bmse000263 2 6 1 145.017 ? ? ? ? bmse000263 2 7 1 142.889 ? ? ? ? bmse000263 2 8 1 142.548 ? ? ? ? bmse000263 2 9 1 136.304 ? ? ? ? bmse000263 2 10 1 131.345 ? ? ? ? bmse000263 2 11 1 121.161 ? ? ? ? bmse000263 2 12 1 102.729 ? ? ? ? bmse000263 2 13 1 89.822 ? ? ? ? bmse000263 2 14 1 89.734 ? ? ? ? bmse000263 2 15 1 89.254 ? ? ? ? bmse000263 2 16 1 89.172 ? ? ? ? bmse000263 2 17 1 85.747 ? ? ? ? bmse000263 2 18 1 85.658 ? ? ? ? bmse000263 2 19 1 80.322 ? ? ? ? bmse000263 2 20 1 78.764 ? ? ? ? bmse000263 2 21 1 78.722 ? ? ? ? bmse000263 2 22 1 73.373 ? ? ? ? bmse000263 2 23 1 72.734 ? ? ? ? bmse000263 2 24 1 68.219 ? ? ? ? bmse000263 2 25 1 67.675 ? ? ? ? bmse000263 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.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 ? ? 167.850 ? ? ? 1 1 1 1 C38 ? bmse000263 2 2 1 ? ? 158.115 ? ? ? 1 1 1 1 C39 ? bmse000263 2 3 1 ? ? 155.428 ? ? ? 1 1 1 1 C44 ? bmse000263 2 4 1 ? ? 151.676 ? ? ? 1 1 1 1 C40 ? bmse000263 2 5 1 ? ? 148.375 ? ? ? 1 1 1 1 C46 ? bmse000263 2 5 1 ? ? 148.375 ? ? ? 1 1 1 1 C47 ? bmse000263 2 6 1 ? ? 145.017 ? ? ? 1 1 1 1 C46 ? bmse000263 2 6 1 ? ? 145.017 ? ? ? 1 1 1 1 C47 ? bmse000263 2 7 1 ? ? 142.889 ? ? ? 1 1 1 1 C43 ? bmse000263 2 7 1 ? ? 142.889 ? ? ? 1 1 1 1 C45 ? bmse000263 2 8 1 ? ? 142.548 ? ? ? 1 1 1 1 C43 ? bmse000263 2 8 1 ? ? 142.548 ? ? ? 1 1 1 1 C45 ? bmse000263 2 9 1 ? ? 136.304 ? ? ? 1 1 1 1 C42 ? bmse000263 2 10 1 ? ? 131.345 ? ? ? 1 1 1 1 C48 ? bmse000263 2 11 1 ? ? 121.161 ? ? ? 1 1 1 1 C41 ? bmse000263 2 12 1 ? ? 102.729 ? ? ? 1 1 1 1 C30 ? bmse000263 2 12 1 ? ? 102.729 ? ? ? 1 1 1 1 C31 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C30 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C31 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C32 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C33 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C34 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C35 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C36 ? bmse000263 2 13 1 ? ? 89.822 ? ? ? 1 1 1 1 C37 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C30 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C31 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C32 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C33 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C34 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C35 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C36 ? bmse000263 2 14 1 ? ? 89.734 ? ? ? 1 1 1 1 C37 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C30 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C31 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C32 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C33 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C34 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C35 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C36 ? bmse000263 2 15 1 ? ? 89.254 ? ? ? 1 1 1 1 C37 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C30 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C31 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C32 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C33 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C34 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C35 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C36 ? bmse000263 2 16 1 ? ? 89.172 ? ? ? 1 1 1 1 C37 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C30 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C31 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C32 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C33 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C34 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C35 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C36 ? bmse000263 2 17 1 ? ? 85.747 ? ? ? 1 1 1 1 C37 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C30 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C31 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C32 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C33 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C34 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C35 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C36 ? bmse000263 2 18 1 ? ? 85.658 ? ? ? 1 1 1 1 C37 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C30 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C31 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C32 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C33 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C34 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C35 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C36 ? bmse000263 2 19 1 ? ? 80.322 ? ? ? 1 1 1 1 C37 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C30 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C31 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C32 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C33 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C34 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C35 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C36 ? bmse000263 2 20 1 ? ? 78.764 ? ? ? 1 1 1 1 C37 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C30 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C31 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C32 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C33 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C34 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C35 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C36 ? bmse000263 2 21 1 ? ? 78.722 ? ? ? 1 1 1 1 C37 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C30 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C31 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C32 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C33 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C34 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C35 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C36 ? bmse000263 2 22 1 ? ? 73.373 ? ? ? 1 1 1 1 C37 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C30 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C31 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C32 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C33 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C34 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C35 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C36 ? bmse000263 2 23 1 ? ? 72.734 ? ? ? 1 1 1 1 C37 ? bmse000263 2 24 1 ? ? 68.219 ? ? ? 1 1 1 1 C28 ? bmse000263 2 24 1 ? ? 68.219 ? ? ? 1 1 1 1 C29 ? bmse000263 2 25 1 ? ? 67.675 ? ? ? 1 1 1 1 C28 ? bmse000263 2 25 1 ? ? 67.675 ? ? ? 1 1 1 1 C29 ? bmse000263 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 ? ? bmse000263 2 2 ? ? bmse000263 2 3 ? ? bmse000263 2 4 ? ? bmse000263 2 5 ? ? bmse000263 2 6 ? ? bmse000263 2 7 ? ? bmse000263 2 8 ? ? bmse000263 2 9 ? ? bmse000263 2 10 ? ? bmse000263 2 11 ? ? bmse000263 2 12 ? ? bmse000263 2 13 ? ? bmse000263 2 14 ? ? bmse000263 2 15 ? ? bmse000263 2 16 ? ? bmse000263 2 17 ? ? bmse000263 2 18 ? ? bmse000263 2 19 ? ? bmse000263 2 20 ? ? bmse000263 2 21 ? ? bmse000263 2 22 ? ? bmse000263 2 23 ? ? bmse000263 2 24 ? ? bmse000263 2 25 ? ? bmse000263 2 26 ? ? bmse000263 2 27 ? ? bmse000263 2 28 ? ? bmse000263 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 254541488 ? Height bmse000263 2 2 350143648 ? Height bmse000263 2 3 525107776 ? Height bmse000263 2 4 381856672 ? Height bmse000263 2 5 488939168 ? Height bmse000263 2 6 416902880 ? Height bmse000263 2 7 516040800 ? Height bmse000263 2 8 382349088 ? Height bmse000263 2 9 537593088 ? Height bmse000263 2 10 518332960 ? Height bmse000263 2 11 254312304 ? Height bmse000263 2 12 708524608 ? Height bmse000263 2 13 365536160 ? Height bmse000263 2 14 335386944 ? Height bmse000263 2 15 335727424 ? Height bmse000263 2 16 319927328 ? Height bmse000263 2 17 347042624 ? Height bmse000263 2 18 365225600 ? Height bmse000263 2 19 778399808 ? Height bmse000263 2 20 342914048 ? Height bmse000263 2 21 377873536 ? Height bmse000263 2 22 797870592 ? Height bmse000263 2 23 439004128 ? Height bmse000263 2 24 424510080 ? Height bmse000263 2 25 257285232 ? Height bmse000263 2 26 257157712 ? Height bmse000263 2 27 274144096 ? Height bmse000263 2 28 255954912 ? Height bmse000263 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 1 167.856 ? bmse000263 2 2 1 158.132 ? bmse000263 2 3 1 155.443 ? bmse000263 2 4 1 151.693 ? bmse000263 2 5 1 148.390 ? bmse000263 2 6 1 145.034 ? bmse000263 2 7 1 142.908 ? bmse000263 2 8 1 142.564 ? bmse000263 2 9 1 136.321 ? bmse000263 2 10 1 131.355 ? bmse000263 2 11 1 121.179 ? bmse000263 2 12 1 102.750 ? bmse000263 2 13 1 89.843 ? bmse000263 2 14 1 89.746 ? bmse000263 2 15 1 89.268 ? bmse000263 2 16 1 89.191 ? bmse000263 2 17 1 85.769 ? bmse000263 2 18 1 85.674 ? bmse000263 2 19 1 80.336 ? bmse000263 2 20 1 78.778 ? bmse000263 2 21 1 78.743 ? bmse000263 2 22 1 73.391 ? bmse000263 2 23 1 72.755 ? bmse000263 2 24 1 72.726 ? bmse000263 2 25 1 68.236 ? bmse000263 2 26 1 68.190 ? bmse000263 2 27 1 67.695 ? bmse000263 2 28 1 67.644 ? bmse000263 2 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 bmse000263 _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 4 _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" ? 18115.9420289855 ? ? bmse000263 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 2 $software_2 ? ? bmse000263 3 3 $software_3 ? ? bmse000263 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000263 3 2 ? ? bmse000263 3 3 ? ? bmse000263 3 4 ? ? bmse000263 3 5 ? ? bmse000263 3 6 ? ? bmse000263 3 7 ? ? bmse000263 3 8 ? ? bmse000263 3 9 ? ? bmse000263 3 10 ? ? bmse000263 3 11 ? ? bmse000263 3 12 ? ? bmse000263 3 13 ? ? bmse000263 3 14 ? ? bmse000263 3 15 ? ? bmse000263 3 16 ? ? bmse000263 3 17 ? ? bmse000263 3 18 ? ? bmse000263 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 1 155.430 ? ? ? ? bmse000263 3 2 1 148.378 ? ? ? ? bmse000263 3 3 1 145.017 ? ? ? ? bmse000263 3 4 1 142.891 ? ? ? ? bmse000263 3 5 1 142.546 ? ? ? ? bmse000263 3 6 1 131.347 ? ? ? ? bmse000263 3 7 1 102.731 ? ? ? ? bmse000263 3 8 1 89.824 ? ? ? ? bmse000263 3 9 1 89.735 ? ? ? ? bmse000263 3 10 1 89.257 ? ? ? ? bmse000263 3 11 1 89.175 ? ? ? ? bmse000263 3 12 1 85.748 ? ? ? ? bmse000263 3 13 1 85.659 ? ? ? ? bmse000263 3 14 1 80.323 ? ? ? ? bmse000263 3 15 1 78.767 ? ? ? ? bmse000263 3 16 1 78.724 ? ? ? ? bmse000263 3 17 1 73.375 ? ? ? ? bmse000263 3 18 1 72.714 ? ? ? ? bmse000263 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 ? ? 155.430 ? ? ? 1 1 1 1 C44 ? bmse000263 3 2 1 ? ? 148.378 ? ? ? 1 1 1 1 C46 ? bmse000263 3 2 1 ? ? 148.378 ? ? ? 1 1 1 1 C47 ? bmse000263 3 3 1 ? ? 145.017 ? ? ? 1 1 1 1 C46 ? bmse000263 3 3 1 ? ? 145.017 ? ? ? 1 1 1 1 C47 ? bmse000263 3 4 1 ? ? 142.891 ? ? ? 1 1 1 1 C43 ? bmse000263 3 4 1 ? ? 142.891 ? ? ? 1 1 1 1 C45 ? bmse000263 3 5 1 ? ? 142.546 ? ? ? 1 1 1 1 C43 ? bmse000263 3 5 1 ? ? 142.546 ? ? ? 1 1 1 1 C45 ? bmse000263 3 6 1 ? ? 131.347 ? ? ? 1 1 1 1 C48 ? bmse000263 3 7 1 ? ? 102.731 ? ? ? 1 1 1 1 C30 ? bmse000263 3 7 1 ? ? 102.731 ? ? ? 1 1 1 1 C31 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C30 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C31 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C32 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C33 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C34 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C35 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C36 ? bmse000263 3 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C37 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C30 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C31 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C32 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C33 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C34 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C35 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C36 ? bmse000263 3 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C37 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C30 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C31 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C32 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C33 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C34 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C35 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C36 ? bmse000263 3 10 1 ? ? 89.257 ? ? ? 1 1 1 1 C37 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C30 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C31 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C32 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C33 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C34 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C35 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C36 ? bmse000263 3 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C37 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C30 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C31 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C32 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C33 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C34 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C35 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C36 ? bmse000263 3 12 1 ? ? 85.748 ? ? ? 1 1 1 1 C37 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C30 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C31 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C32 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C33 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C34 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C35 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C36 ? bmse000263 3 13 1 ? ? 85.659 ? ? ? 1 1 1 1 C37 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C30 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C31 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C32 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C33 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C34 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C35 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C36 ? bmse000263 3 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C37 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C30 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C31 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C32 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C33 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C34 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C35 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C36 ? bmse000263 3 15 1 ? ? 78.767 ? ? ? 1 1 1 1 C37 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C30 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C31 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C32 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C33 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C34 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C35 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C36 ? bmse000263 3 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C37 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C30 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C31 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C32 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C33 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C34 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C35 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C36 ? bmse000263 3 17 1 ? ? 73.375 ? ? ? 1 1 1 1 C37 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C30 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C31 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C32 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C33 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C34 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C35 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C36 ? bmse000263 3 18 1 ? ? 72.714 ? ? ? 1 1 1 1 C37 ? bmse000263 3 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 bmse000263 _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 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" ? 18115.9420289855 ? ? bmse000263 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 2 $software_2 ? ? bmse000263 4 3 $software_3 ? ? bmse000263 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000263 4 2 ? ? bmse000263 4 3 ? ? bmse000263 4 4 ? ? bmse000263 4 5 ? ? bmse000263 4 6 ? ? bmse000263 4 7 ? ? bmse000263 4 8 ? ? bmse000263 4 9 ? ? bmse000263 4 10 ? ? bmse000263 4 11 ? ? bmse000263 4 12 ? ? bmse000263 4 13 ? ? bmse000263 4 14 ? ? bmse000263 4 15 ? ? bmse000263 4 16 ? ? bmse000263 4 17 ? ? bmse000263 4 18 ? ? bmse000263 4 19 ? ? bmse000263 4 20 ? ? bmse000263 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 1 155.432 ? positive ? ? bmse000263 4 2 1 148.378 ? positive ? ? bmse000263 4 3 1 145.016 ? positive ? ? bmse000263 4 4 1 142.890 ? positive ? ? bmse000263 4 5 1 142.549 ? positive ? ? bmse000263 4 6 1 131.345 ? positive ? ? bmse000263 4 7 1 102.731 ? positive ? ? bmse000263 4 8 1 89.824 ? positive ? ? bmse000263 4 9 1 89.735 ? positive ? ? bmse000263 4 10 1 89.254 ? positive ? ? bmse000263 4 11 1 89.175 ? positive ? ? bmse000263 4 12 1 85.747 ? positive ? ? bmse000263 4 13 1 85.658 ? positive ? ? bmse000263 4 14 1 80.323 ? positive ? ? bmse000263 4 15 1 78.766 ? positive ? ? bmse000263 4 16 1 78.724 ? positive ? ? bmse000263 4 17 1 73.374 ? positive ? ? bmse000263 4 18 1 72.716 ? positive ? ? bmse000263 4 19 1 68.224 ? negative ? ? bmse000263 4 20 1 67.623 ? negative ? ? bmse000263 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 ? ? 155.432 ? ? ? 1 1 1 1 C44 ? bmse000263 4 2 1 ? ? 148.378 ? ? ? 1 1 1 1 C46 ? bmse000263 4 2 1 ? ? 148.378 ? ? ? 1 1 1 1 C47 ? bmse000263 4 3 1 ? ? 145.016 ? ? ? 1 1 1 1 C46 ? bmse000263 4 3 1 ? ? 145.016 ? ? ? 1 1 1 1 C47 ? bmse000263 4 4 1 ? ? 142.890 ? ? ? 1 1 1 1 C43 ? bmse000263 4 4 1 ? ? 142.890 ? ? ? 1 1 1 1 C45 ? bmse000263 4 5 1 ? ? 142.549 ? ? ? 1 1 1 1 C43 ? bmse000263 4 5 1 ? ? 142.549 ? ? ? 1 1 1 1 C45 ? bmse000263 4 6 1 ? ? 131.345 ? ? ? 1 1 1 1 C48 ? bmse000263 4 7 1 ? ? 102.731 ? ? ? 1 1 1 1 C30 ? bmse000263 4 7 1 ? ? 102.731 ? ? ? 1 1 1 1 C31 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C30 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C31 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C32 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C33 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C34 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C35 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C36 ? bmse000263 4 8 1 ? ? 89.824 ? ? ? 1 1 1 1 C37 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C30 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C31 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C32 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C33 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C34 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C35 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C36 ? bmse000263 4 9 1 ? ? 89.735 ? ? ? 1 1 1 1 C37 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C30 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C31 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C32 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C33 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C34 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C35 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C36 ? bmse000263 4 10 1 ? ? 89.254 ? ? ? 1 1 1 1 C37 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C30 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C31 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C32 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C33 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C34 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C35 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C36 ? bmse000263 4 11 1 ? ? 89.175 ? ? ? 1 1 1 1 C37 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C30 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C31 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C32 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C33 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C34 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C35 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C36 ? bmse000263 4 12 1 ? ? 85.747 ? ? ? 1 1 1 1 C37 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C30 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C31 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C32 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C33 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C34 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C35 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C36 ? bmse000263 4 13 1 ? ? 85.658 ? ? ? 1 1 1 1 C37 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C30 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C31 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C32 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C33 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C34 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C35 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C36 ? bmse000263 4 14 1 ? ? 80.323 ? ? ? 1 1 1 1 C37 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C30 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C31 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C32 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C33 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C34 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C35 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C36 ? bmse000263 4 15 1 ? ? 78.766 ? ? ? 1 1 1 1 C37 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C30 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C31 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C32 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C33 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C34 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C35 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C36 ? bmse000263 4 16 1 ? ? 78.724 ? ? ? 1 1 1 1 C37 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C30 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C31 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C32 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C33 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C34 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C35 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C36 ? bmse000263 4 17 1 ? ? 73.374 ? ? ? 1 1 1 1 C37 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C30 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C31 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C32 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C33 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C34 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C35 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C36 ? bmse000263 4 18 1 ? ? 72.716 ? ? ? 1 1 1 1 C37 ? bmse000263 4 19 1 ? ? 68.224 ? ? ? 1 1 1 1 C28 ? bmse000263 4 19 1 ? ? 68.224 ? ? ? 1 1 1 1 C29 ? bmse000263 4 20 1 ? ? 67.623 ? ? ? 1 1 1 1 C28 ? bmse000263 4 20 1 ? ? 67.623 ? ? ? 1 1 1 1 C29 ? bmse000263 4 stop_ save_ save_spectral_peak_HSQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_HSQC _Spectral_peak_list.Entry_ID bmse000263 _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 '2D [1H,13C]-HSQC' _Spectral_peak_list.Number_of_spectral_dimensions 2 _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" ? 4807.69230769231 ? ? bmse000263 5 2 C 13 "Full C" ? 12726.6942411709 ? ? bmse000263 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 ? ? bmse000263 5 3 $software_3 ? ? bmse000263 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 ? ? bmse000263 5 2 ? ? bmse000263 5 3 ? ? bmse000263 5 4 ? ? bmse000263 5 5 ? ? bmse000263 5 6 ? ? bmse000263 5 7 ? ? bmse000263 5 8 ? ? bmse000263 5 9 ? ? bmse000263 5 10 ? ? bmse000263 5 11 ? ? bmse000263 5 12 ? ? bmse000263 5 13 ? ? bmse000263 5 14 ? ? bmse000263 5 15 ? ? bmse000263 5 16 ? ? bmse000263 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 8.131 ? ? ? 1JCH bmse000263 5 1 2 155.458 ? ? ? 1JCH bmse000263 5 2 1 8.803 ? ? ? 1JCH bmse000263 5 2 2 148.384 ? ? ? 1JCH bmse000263 5 3 1 9.093 ? ? ? 1JCH bmse000263 5 3 2 145.005 ? ? ? 1JCH bmse000263 5 4 1 8.404 ? ? ? 1JCH bmse000263 5 4 2 142.916 ? ? ? 1JCH bmse000263 5 5 1 9.281 ? ? ? 1JCH bmse000263 5 5 2 142.516 ? ? ? 1JCH bmse000263 5 6 1 8.168 ? ? ? 1JCH bmse000263 5 6 2 131.358 ? ? ? 1JCH bmse000263 5 7 1 6.022 ? ? ? 1JCH bmse000263 5 7 2 102.738 ? ? ? 1JCH bmse000263 5 8 1 4.487 ? ? ? 1JCH bmse000263 5 8 2 89.890 ? ? ? 1JCH bmse000263 5 9 1 6.087 ? ? ? 1JCH bmse000263 5 9 2 89.230 ? ? ? 1JCH bmse000263 5 10 1 4.362 ? ? ? 1JCH bmse000263 5 10 2 85.711 ? ? ? 1JCH bmse000263 5 11 1 4.444 ? ? ? 1JCH bmse000263 5 11 2 80.274 ? ? ? 1JCH bmse000263 5 12 1 4.956 ? ? ? 1JCH bmse000263 5 12 2 78.748 ? ? ? 1JCH bmse000263 5 13 1 4.397 ? ? ? 1JCH bmse000263 5 13 2 73.435 ? ? ? 1JCH bmse000263 5 14 1 4.601 ? ? ? 1JCH bmse000263 5 14 2 72.702 ? ? ? 1JCH bmse000263 5 15 1 4.298 ? ? ? 1JCH bmse000263 5 15 2 68.000 ? ? ? 1JCH bmse000263 5 16 1 4.203 ? ? ? 1JCH bmse000263 5 16 2 67.877 ? ? ? 1JCH bmse000263 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 ? ? 8.131 ? ? ? 1 1 1 1 H73 ? bmse000263 5 1 2 ? ? 155.458 ? ? ? 1 1 1 1 C44 ? bmse000263 5 2 1 ? ? 8.803 ? ? ? 1 1 1 1 H75 ? bmse000263 5 2 1 ? ? 8.803 ? ? ? 1 1 1 1 H76 ? bmse000263 5 2 2 ? ? 148.384 ? ? ? 1 1 1 1 C46 ? bmse000263 5 2 2 ? ? 148.384 ? ? ? 1 1 1 1 C47 ? bmse000263 5 3 1 ? ? 9.093 ? ? ? 1 1 1 1 H75 ? bmse000263 5 3 1 ? ? 9.093 ? ? ? 1 1 1 1 H76 ? bmse000263 5 3 2 ? ? 145.005 ? ? ? 1 1 1 1 C46 ? bmse000263 5 3 2 ? ? 145.005 ? ? ? 1 1 1 1 C47 ? bmse000263 5 4 1 ? ? 8.404 ? ? ? 1 1 1 1 H72 ? bmse000263 5 4 1 ? ? 8.404 ? ? ? 1 1 1 1 H74 ? bmse000263 5 4 2 ? ? 142.916 ? ? ? 1 1 1 1 C43 ? bmse000263 5 4 2 ? ? 142.916 ? ? ? 1 1 1 1 C45 ? bmse000263 5 5 1 ? ? 9.281 ? ? ? 1 1 1 1 H72 ? bmse000263 5 5 1 ? ? 9.281 ? ? ? 1 1 1 1 H74 ? bmse000263 5 5 2 ? ? 142.516 ? ? ? 1 1 1 1 C43 ? bmse000263 5 5 2 ? ? 142.516 ? ? ? 1 1 1 1 C45 ? bmse000263 5 6 1 ? ? 8.168 ? ? ? 1 1 1 1 H77 ? bmse000263 5 6 2 ? ? 131.358 ? ? ? 1 1 1 1 C48 ? bmse000263 5 7 1 ? ? 6.022 ? ? ? 1 1 1 1 H64 ? bmse000263 5 7 1 ? ? 6.022 ? ? ? 1 1 1 1 H65 ? bmse000263 5 7 2 ? ? 102.738 ? ? ? 1 1 1 1 C30 ? bmse000263 5 7 2 ? ? 102.738 ? ? ? 1 1 1 1 C31 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H66 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H67 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H68 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H69 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H70 ? bmse000263 5 8 1 ? ? 4.487 ? ? ? 1 1 1 1 H71 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C32 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C33 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C34 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C35 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C36 ? bmse000263 5 8 2 ? ? 89.890 ? ? ? 1 1 1 1 C37 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H65 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H66 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H67 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H68 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H69 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H70 ? bmse000263 5 9 1 ? ? 6.087 ? ? ? 1 1 1 1 H71 ? bmse000263 5 9 2 ? ? 89.230 ? ? ? 1 1 1 1 C30 ? bmse000263 5 9 2 ? ? 89.230 ? ? ? 1 1 1 1 C31 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H66 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H67 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H68 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H69 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H70 ? bmse000263 5 10 1 ? ? 4.362 ? ? ? 1 1 1 1 H71 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C32 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C33 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C34 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C35 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C36 ? bmse000263 5 10 2 ? ? 85.711 ? ? ? 1 1 1 1 C37 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H66 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H67 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H68 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H69 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H70 ? bmse000263 5 11 1 ? ? 4.444 ? ? ? 1 1 1 1 H71 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C32 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C33 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C34 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C35 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C36 ? bmse000263 5 11 2 ? ? 80.274 ? ? ? 1 1 1 1 C37 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H66 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H67 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H68 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H69 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H70 ? bmse000263 5 12 1 ? ? 4.956 ? ? ? 1 1 1 1 H71 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C32 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C33 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C34 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C35 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C36 ? bmse000263 5 12 2 ? ? 78.748 ? ? ? 1 1 1 1 C37 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H66 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H67 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H68 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H69 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H70 ? bmse000263 5 13 1 ? ? 4.397 ? ? ? 1 1 1 1 H71 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C32 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C33 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C34 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C35 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C36 ? bmse000263 5 13 2 ? ? 73.435 ? ? ? 1 1 1 1 C37 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H66 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H67 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H68 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H69 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H70 ? bmse000263 5 14 1 ? ? 4.601 ? ? ? 1 1 1 1 H71 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C32 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C33 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C34 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C35 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C36 ? bmse000263 5 14 2 ? ? 72.702 ? ? ? 1 1 1 1 C37 ? bmse000263 5 15 1 ? ? 4.298 ? ? ? 1 1 1 1 H60 ? bmse000263 5 15 1 ? ? 4.298 ? ? ? 1 1 1 1 H61 ? bmse000263 5 15 1 ? ? 4.298 ? ? ? 1 1 1 1 H62 ? bmse000263 5 15 1 ? ? 4.298 ? ? ? 1 1 1 1 H63 ? bmse000263 5 15 2 ? ? 68.000 ? ? ? 1 1 1 1 C28 ? bmse000263 5 15 2 ? ? 68.000 ? ? ? 1 1 1 1 C29 ? bmse000263 5 16 1 ? ? 4.203 ? ? ? 1 1 1 1 H60 ? bmse000263 5 16 1 ? ? 4.203 ? ? ? 1 1 1 1 H61 ? bmse000263 5 16 1 ? ? 4.203 ? ? ? 1 1 1 1 H62 ? bmse000263 5 16 1 ? ? 4.203 ? ? ? 1 1 1 1 H63 ? bmse000263 5 16 2 ? ? 67.877 ? ? ? 1 1 1 1 C28 ? bmse000263 5 16 2 ? ? 67.877 ? ? ? 1 1 1 1 C29 ? bmse000263 5 stop_ save_