NMR experiments for the sign determination of homonuclear scalar and residual dipolar couplings |
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Authors: | Gottfried Otting Markus Rückert Malcolm H Levitt Ahmad Moshref |
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Institution: | (1) Department of Medical Biochemistry and Biophysics, Karolinska Institute, Tomtebodavägen 6;(2) Physical Chemistry Division, Stockholm University, S-10691 Stockholm, Sweden |
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Abstract: | A modified version of the JHH-TOCSY experiment, `signed COSY', is presented that allows the determination of the sign of residual dipolar 1H-1H coupling constants with respect to the sign of one-bond 1H-X coupling constants in linear three-spin systems X-1H-1H, where X = 13C or 15N. In contrast to the original JHH-TOCSY experiments, the signs of J
HH couplings may be determined for CH2-CH2 moieties and for uniformly 13C/15N-labelled samples. In addition, sensitivity is enhanced, diagonal peaks are suppressed and cross peaks are observed only between directly coupled protons, as in a COSY spectrum. |
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Keywords: | arginine repressor BPTI gramicidin S JHH-TOCSY sign of coupling constants signed COSY |
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