NMRwiki tweet nmrwiki: Why two lines in this #nmr spectrum of acetone d6?http://qa.nmrwiki.org/ques

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[NMRwiki tweet] nmrwiki: Why two lines in this #nmr spectrum of acetone d6?http://qa.nmrwiki.org/ques

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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

Flexibility from chemical shifts:

RCI

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HADDOCK

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SAVES2 or SAVES4

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NMR spectrum prediction:

FANDAS

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V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

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NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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11-18-2010, 06:14 AM

nmrlearner

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nmrwiki: Why two lines in this #nmr spectrum of acetone d6?http://qa.nmrwiki.org/ques

nmrwiki: Why two lines in this #nmr spectrum of acetone d6?http://qa.nmrwiki.org/question/198/

nmrwiki: Why two lines in this #nmr spectrum of acetone d6?http://qa.nmrwiki.org/question/198/

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[Question from NMRWiki Q&A forum] 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. Thanks for your comments Check if somebody has answered...	nmrlearner	News from other NMR forums	0	11-17-2010 06:08 PM
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