TABLE 5.
1H and 13C chemical shift for 80 mM (KF)n in acetate buffer with and without addition of 40 mM β-C12G2
| (KF)n
|
(KF)n + β-C12G2
|
Chemical shift difference
|
||||
|---|---|---|---|---|---|---|
| Position | 1H (ppm) | 13C (ppm) | 1H (ppm) | 13C (ppm) | 1H (ppm) | 13C (ppm) |
| Lys | Lys | Lys | ||||
| α | 4.24 | 54.30 | 4.26 | 54.1 | −0.02 | 0.20 |
| β | 1.70 | 31.40 | 1.71 | 31.30 | −0.01 | 0.10 |
| γ | 1.40/1.32 | 22.90 | 1.40/1.32 | 23.00 | 0.00 | −0.10 |
| δ | 1.66 | 27.20 | 1.66 | 27.10 | 0.00 | 0.10 |
| ɛ | 2.96* | 40.00 | 2.97* | 40.00 | −0.01 | 0.00 |
| Phe | Phe | Phe | ||||
| α | 4.55 | 55.40 | 4.55 | 55.50 | 0.00 | −0.10 |
| β | 2.96* | 38.00 | 2.97* | 38.00 | −0.01 | 0.00 |
1H chemical shifts are referenced to the residual HDO signal set to 4.75 ppm. Indirect chemical shift referencing is employed for 13C using the frequency ratio Ξ = νC/νH = 0.25145002, where νC and νH correspond to the 13C and 1H frequency of the methyl resonances (0 ppm), respectively, in tetramethylsilane in H2O. The error limits are ±0.01 ppm for the 1H signals and ±0.3 ppm for the 13C signals.
*
Total overlap in 13C HSQC.