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• W3146004429 abstract "Magic-angle-spinning solid-state 13 CN MR spectroscopy is useful for structural analysis of non-crys- talline proteins. However, the signal assignments and structural analysis are often hampered by the signal over- laps primarily due to minor structural heterogeneities, especially for uniformly- 13 C, 15 N labeled samples. To overcome this problem, we present a method for assigning 13 C chemical shifts and secondary structures from unre- solved two-dimensional 13 C- 13 C MAS NMR spectra by spectral fitting, named reconstruction of spectra using protein local structures (RESPLS). The spectral fitting was conducted using databases of protein fragmented structures related to 13 C a , 13 C b , and 13 C 0 chemical shifts and cross- peak intensities. The experimental 13 C- 13 C inter- and intra- residue correlation spectra of uniformly isotope-labeled ubiquitin in the lyophilized state had a few broad peaks. The fitting analysis for these spectra provided sequence- specific C a ,C b , and C 0 chemical shifts with an accuracy of about 1.5 ppm, which enabled the assignment of the sec- ondary structures with an accuracy of 79 %. The structural heterogeneity of the lyophilized ubiquitin is revealed from the results. Test of RESPLS analysis for simulated spectra of five different types of proteins indicated that the method allowed the secondary structure determination with accu- racy of about 80 % for the 50-200 residue proteins. These results demonstrate that the RESPLS approach expands the applicability of the NMR to non-crystalline proteins exhibiting unresolved 13 C NMR spectra, such as lyophi-" @default.
• W3146004429 created "2021-04-13" @default.
• W3146004429 creator A5070832836 @default.
• W3146004429 date "2013-01-01" @default.
• W3146004429 modified "2023-09-27" @default.
• W3146004429 title "Secondary structural analysis of proteins based on 13 C chemical shift assignments in unresolved solid-state NMR spectra enhanced by fragmented structure database" @default.
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• W3146004429 hasPublicationYear "2013" @default.
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