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/BMSE000108
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000108.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000108.mol
All files for bmse000108
Time Domain Data: bmse000108.zip
View the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C10 | C1 | 51.246 | 1 |
C4 | C2 | 134.012 | 4 |
C4 | C2 | 130.355 | 4 |
C2 | C3 | 134.012 | 4 |
C2 | C3 | 130.355 | 4 |
C6 | C4 | 64.073 | 1 |
C1 | C5 | 134.012 | 4 |
C1 | C5 | 130.355 | 4 |
C3 | C6 | 134.012 | 4 |
C3 | C6 | 130.355 | 4 |
C5 | C8 | 50.655 | 1 |
H20 | H18 | 5.988 | 4 |
H18 | H19 | 5.988 | 4 |
H23 | H20 | 4.516 | 1 |
H17 | H21 | 5.988 | 4 |
H19 | H22 | 5.988 | 4 |
H21 | H23 | 3.136 | 1 |
H22 | H24 | 3.136 | 1 |
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz