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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/BMSE000238
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Brendan Hodis, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000238.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000238.mol
All files for bmse000238
Time Domain Data: bmse000238.zip
View the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C1 | C1 | 45.31 | 1 |
C4 | C2 | 182.57 | 4 |
C3 | C3 | 183.77 | 4 |
C2 | C4 | 73.05 | 1 |
H12 | H10 | 2.663 | 2 |
H10 | H11 | 2.355 | 2 |
H11 | H12 | 4.286 | 1 |
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz