Table 3.
Sample/ spectrum | Spectrum type | Peak shift (ppm) b | Peak width (ppm) c | Intensity (fraction of total) | |
---|---|---|---|---|---|
1-13C, 15N Leu cells | ΔS | 182.1 | helix | 2.2 | 0.03 |
177.4 | 4.5 | 0.82 | |||
173.1 | β | 3.2 | 0.15 | ||
1-13C, 15N Leu cells – (0.75 × unlabeled cells) | S0 | 180.8 | helix | 8.9 | 0.18 |
177.6 | 5.6 | 0.69 | |||
172.1 | β | 3.1 | 0.13 |
Spectral deconvolution was done with three Gaussian lineshapes whose peak shifts, linewidths, and intensities were independently varied until there was minimal difference between the sum of the lineshapes and the experimental lineshape. For both cases, there was excellent agreement between the best-fit deconvolution sum lineshape and experimental lineshape, see Supporting Information.
The reasons for assignment of peaks to specific conformations are provided in the main text.
Full-width at half-maximum linewidth.