通过信号分离算法重建非均匀采样的五维核磁共振谱。

Kosiński Krzysztof, Stanek Jan, Górka Michał J, Żerko Szymon, Koźmiński Wiktor

Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-089, Warsaw, Poland.

Faculty of Physics, Division of Biophysics, Institute of Experimental Physics, University of Warsaw, Pasteura 5, 02-093, Warsaw, Poland.

J Biomol NMR. 2017 Jun;68(2):129-138. doi: 10.1007/s10858-017-0095-8. Epub 2017 Feb 28.

A method for five-dimensional spectral reconstruction of non-uniformly sampled NMR data sets is proposed. It is derived from the previously published signal separation algorithm, with major alterations to avoid unfeasible processing of an entire five-dimensional spectrum. The proposed method allows credible reconstruction of spectra from as little as a few hundred data points and enables sensitive resonance detection in experiments with a high dynamic range of peak intensities. The efficiency of the method is demonstrated on two high-resolution spectra for rapid sequential assignment of intrinsically disordered proteins, namely 5D HN(CA)CONH and 5D (HACA)CON(CO)CONH.

提出了一种用于非均匀采样核磁共振数据集的五维谱重建方法。它源自先前发表的信号分离算法，并进行了重大修改，以避免对整个五维谱进行不可行的处理。所提出的方法允许从仅几百个数据点可靠地重建谱，并能够在具有高动态范围峰强度的实验中进行灵敏的共振检测。该方法的效率在两个用于快速顺序归属内在无序蛋白质的高分辨率谱上得到了证明，即5D HN(CA)CONH和5D (HACA)CON(CO)CONH。