Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of |
Entry DOI: doi:10.13018/BMSE000189
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000189.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000189.mol
All files for bmse000189
Time Domain Data: bmse000189.zip
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 |
---|---|---|---|
C6 | C1 | 96.285 | 6 |
C3 | C2 | 59.752 | 6 |
C5 | C3 | 71.968 | 6 |
C4 | C4 | 74.837 | 6 |
C2 | C5 | 78.382 | 6 |
C1 | C6 | 65.413 | 6 |
H23 | H17 | 5.458 | 6 |
H20 | H18 | 3.291 | 6 |
H22 | H19 | 3.879 | 6 |
H21 | H20 | 3.656 | 6 |
H19 | H21 | 3.937 | 6 |
H17 | H22 | 4.008 | 6 |
H18 | H23 | 4.001 | 6 |
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