BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Isoleucine (C6H13NO2)

View large 3D structure

BMRB entry bmse000866

Entry DOI: doi:10.13018/BMSE000866
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000866.str
NMR-STAR interactive viewer
Mol file: bmse000866.mol
All files for bmse000866
Time Domain Data: bmse000866.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
C3C127.1741
C4C238.6141
C5C362.2491
C6C4176.9721
C1C613.8341
C2C717.4111
H16H101.4582
H16H101.2492
H17H111.4582
H17H111.2492
H18H121.9691
H19H133.6571
H12H140.9271
H11H150.9271
H10H160.9271
H14H170.9981
H13H180.9981
H15H190.9981

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: bmse000866_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: bmse000866_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: bmse000866_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: bmse000866_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: bmse000866_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: bmse000866_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: bmse000866_7.zip