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NMR experiments for the sign determination of homonuclear scalar and residual dipolar couplings

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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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Authors and Affiliations

  1. Department of Medical Biochemistry and Biophysics, Karolinska Institute, Tomtebodavägen 6

    Gottfried Otting, Markus Rückert & Ahmad Moshref

  2. Physical Chemistry Division, Stockholm University, S-106 91, Stockholm, Sweden

    Malcolm H. Levitt

Authors
  1. Gottfried Otting
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  2. Markus Rückert
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  3. Malcolm H. Levitt
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  4. Ahmad Moshref
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Otting, G., Rückert, M., Levitt, M.H. et al. NMR experiments for the sign determination of homonuclear scalar and residual dipolar couplings. J Biomol NMR 16, 343–346 (2000). https://doi.org/10.1023/A:1008372630606

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