Abstract
We have analyzed a combined use of the two-dimensional nuclear Overhauser effect in the laboratory frame (NOESY) and in the rotating frame (ROESY) to determine interproton distances and correlation time in medium-sized rigid molecules (Davis, 1987). This method can be applied in the intermediate motional regime, 0.2 < ωoτc, < 5, (τc, correlation time, (ωo resonance frequency). Error limits depend on the motional regime and are smallest near ωoτc=1.14. The method was tested on six geminal proton pairs in the bicyclic octapeptide (S-deoxo-γ-[R]-OH-Ile3 amaninamide, Mw =870) for which at 297 K in DMSO, a correlation time of 1.0 ns, with a standard deviation of 0.12 ns, and an interproton distance of 1.87 Å, with standard deviation of 0.04 Å, are obtained.
Original language | English (US) |
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Pages (from-to) | 573-582 |
Number of pages | 10 |
Journal | Journal of Biomolecular NMR |
Volume | 2 |
Issue number | 6 |
DOIs | |
State | Published - Nov 1992 |
Keywords
- 2D NMR
- Amaninamide
- Correlation time
- Cross-relaxation
- Evaluation of errors
- Interproton distances
- NOESY
- Peptides
- ROESY
ASJC Scopus subject areas
- Biochemistry
- Spectroscopy