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[Question from NMRWiki Q&A forum] two lines in acetone-d6

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

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RCI

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HADDOCK

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Methyl S2

B-factor

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Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

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MAXOCC

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CCPN

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11-17-2010, 06:08 PM

nmrlearner

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two lines in acetone-d6

two lines in acetone-d6

We try to setup a used Bruker Avance 200 system. After frequency search we started to setup lock and shim file. Using D2O everithing worked quite well - the spectrometer find the lock and shimming leads to a 1H linewitdth less than 3Hz (10mm tube). Next step we wanted to set the files for acetone-d6. The system finds the lock, but now we see two well shaped lines separated by 0.48 ppm. Shimming does not solve this problem. We also tried acetone-d6 from a different bottle but still see two signals.

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