## Abstract We report the determination of two‐ and three‐bond ^1^H‐^15^N spin–spin couplings in the nmr spectra of a polypeptide. The ^1^H‐ and ^15^N‐nmr spectra of 99.2% ^15^N‐enriched alumichrome have been studied at 360 MHz and 10.1 MHz, repectively. While some ^2^__J__ and ^3^__J__ coupling ar
✦ LIBER ✦
N-H Spin-Spin Couplings: Probing Hydrogen Bonds in Proteins
✍ Scribed by Xiang, Sheng-Qi; Narayanan, Raghavendran L.; Becker, Stefan; Zweckstetter, Markus
- Book ID
- 120245612
- Publisher
- John Wiley and Sons
- Year
- 2013
- Tongue
- English
- Weight
- 748 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0044-8249
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Predictive quantum chemical methods based upon coupled cluster theory of spin-spin coupling constants offer a direct tool to explore a variety of questions concerning the relationship between coupling constants and intermolecular distances, molecular orientation, changes in hybridization and related