Atomistic, Macromolecular Model of the Populus Secondary Cell Wall Informed by Solid-State NMR
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https://zenodo.org/record/8377843
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资源简介：
Solid-state NMR dataset used to inform molecular model of the Populus secondary cell wall.
Contains:
- 2D through-bond and through-space ssNMR data on 13C-enriched Populus wood. Data used to inform spectral deconvolution of selective 1D spin-diffusion data
- 2D gelHSQC NMR data for understanding of lignin composition
- MultiCP-1D-DARR datasets on 5 replicates. Includes raw NMR data and ascii files of processed spectra. For each replicate, three experiments are conducted: non-selective 1D MultiCP-DARR, 22ppm selective MultiCP-DARR, and 150ppm selective MultiCP-DARR. 13C-13C spin-diffusion mixing times ranged from 0.001 to 5000 ms.
- Excel files containing tabulated deconvoluted signal areas, and averages for key signal groups.
- Excel files containing tabulated magnetization recovery values for each signal and signal groups for all replicates. Averaged values for X2C, X2L, L2C and L2X at the longest mixing times (see manuscript) are used as key metrics for evaluating molecular models.
- Excel files containing tabulated T1-adjusted spin-diffusion rate constants for each replicate, and key averages.
创建时间：
2023-09-27
