BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

L-Valine (C5H11NO2)

View large 3D structure

BMRB entry bmse000860

Entry DOI: doi:10.13018/BMSE000860
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000860.str
NMR-STAR interactive viewer
Mol file: bmse000860.mol
All files for bmse000860
Time Domain Data: bmse000860.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C4C263.0841
C5C3177.0861
C3C531.8341
C1C620.6962
C1C619.3682
C2C720.6962
C2C719.3682
H16H113.5991
H15H122.2661
H9H131.0342
H9H130.9812
H11H141.0342
H11H140.9812
H10H151.0342
H10H150.9812
H13H161.0342
H13H160.9812
H14H171.0342
H14H170.9812
H12H181.0342
H12H180.9812

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 1
Download time domain data: bmse000860_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 2
Download time domain data: bmse000860_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 3
Download time domain data: bmse000860_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 4
Download time domain data: bmse000860_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 5
Download time domain data: bmse000860_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 6
Download time domain data: bmse000860_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 7
Download time domain data: bmse000860_7.zip