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NMR processing:
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Structure from NMR restraints:
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Structure from chemical shifts:
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Torsion angles from chemical shifts:
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Secondary structure from chemical shifts:
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Flexibility from chemical shifts:
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Chemical shifts re-referencing:
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Molecular dynamics:
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From structure:
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Disordered proteins:
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NMR sample preparation:
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Old 05-20-2005, 02:37 AM
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Default Answered: NMR question about chemical shifts and frequency difference between two lines?

The 13C chemical shifts for the carbonyl and methyl resonances of acetone are 206.68 and29.92 ppm, respectively (referenced to TMS at 0 ppm).a) If this spectrum was run on a Varian INOVA 400 NMR spectrometer, what is the frequencydifference in Hz between the two lines? (Assume
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Best Answer - Posted by Allison aka Nice Lady
If a chemical shift is 206.98 ppm, that's 206.98 ppm x 100.0650378. So the actual shift from 400 MHz is 20,711.5 Hz. The shift for 29.92 ppm can be calculated the same way. Find the difference.The answer to part B should be explained in your textbook. If you don't have a good one find one in the library.I don't mean internet. I mean library.

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Old 05-20-2005, 02:37 AM
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Default NMR question about chemical shifts and frequency difference between two lines?

If a chemical shift is 206.98 ppm, that's 206.98 ppm x 100.0650378. So the actual shift from 400 MHz is 20,711.5 Hz. The shift for 29.92 ppm can be calculated the same way. Find the difference.The answer to part B should be explained in your textbook. If you don't have a good one find one in the library.I don't mean internet. I mean library.

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