NMR assignment of methyl groups in solid-state using 1H-detection and fast MAS - NMR raw and processed data
Authors/Creators
- 1. 1) Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland 2)Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza 112, 90-363 Łódź, Poland
- 2. Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland
- 3. Tallin University of Technology, Ehitajate tee 5, 19086 Tallinn, Estonia
Description
This data set contains raw NMR data in Bruker format for experimental series on (1) 2,3-13C-labelled microcrystalline alanine, (2) U-13C,15N-labelled N-fomylated microcrystalline tripeptide Met-Leu-Phe, and (3,4) two differently labelled (ILV-C4 and ILV-C5) microcrystalline chicken-alpha-spectrin SH3 domain. Measurements were performed at 14.4 T and 55.5 kHz MAS (alanine), 18.8 T and 55.5 and 98 kHz MAS (fMLF), 23.5 T and 55.5 kHz (SH3 C5), 18.8T and 55.5 and 94.5 kHz MAS (SH3 C5) and 18.8T and 55.5 and 94.5 kHz MAS (SH3 C4). The data set also contains Fourier processed data (spectra) in UCSF format, Sparky project, save and peak list files. Pulse programs for Bruker spectrometers are provided. The data set is complemented with SIMPSON scripts for simulation of spin dynamics under aformentioned conditions.
Files
Files
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