Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Entry DOI: doi:10.13018/BMSE000035
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich
NMR-STAR file: bmse000035.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000035.mol
All files for bmse000035
Time Domain Data: bmse000035.zip
View the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample: multiple; see NMR-STAR file
Conditions: multiple; see NMR-STAR file
Spectrometer: multiple; see NMR-STAR file
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
H19 | H15 | 3.564 | 1 |
H15 | H16 | 2.892 | 1 |
H15 | H16 | 3.096 | 1 |
H16 | H17 | 2.892 | 1 |
H16 | H17 | 3.096 | 1 |
H17 | H21 | 2.892 | 1 |
H17 | H21 | 3.096 | 1 |
H18 | H22 | 2.892 | 1 |
H18 | H22 | 3.096 | 1 |
H20 | H23 | 3.564 | 1 |
1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.70
Spectrometer: Bruker DMX - 500MHz
2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.13
Spectrometer: Bruker DMX - 500MHz
3: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
4: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
5: 1D 13C
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
6: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
7: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
9: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
10: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz
11: 2D [1H,13C]-HSQC SW small
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz