Determination of residual dipolar couplings in homonuclear MOCCA-SIAM experiments.

摘要: In solutions with partial molecular alignment, anisotropic magnetic interactions such as the chemical shift anisotropy, electric quadrupole interaction, and dipole-dipole interaction are no longer averaged out to zero in contrast isotropic solutions. The resulting residual increasingly used biological NMR studies for determination of 3D structures proteins other biomolecules. present paper we propose a new approach allowing measurement HN-Hα dipolar couplings non-isotope enriched based on application MOCCA-SIAM experiment. This experiment allows homonuclear coupling constants an accuracy ca. ±0.2 Hz is therefore particularly well suited determine at relatively low degrees orientation. agreement between experimentally determined calculated values demonstrated BPTI.