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/BMSE001194
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse001194.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse001194.mol
All files for bmse001194
Time Domain Data: bmse001194.zip
View the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
Atom ID | Value | Ambiguity Code |
---|---|---|
C6 | 122.1946 | 1 |
C2 | 132.7806 | 1 |
C3 | 132.7806 | 1 |
C4 | 116.1632 | 1 |
C5 | 116.1632 | 1 |
C7 | 163.5664 | 1 |
C8 | 168.7087 | 1 |
C1 | 52.2737 | 1 |
H19 | 7.8589 | 1 |
H15 | 7.8589 | 1 |
H16 | 6.8182 | 1 |
H17 | 6.8182 | 1 |
H18 | 3.8386 | 1 |
H13 | 3.8386 | 1 |
H14 | 3.8386 | 1 |
1: 1D 1H
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz