Table 2. Dissipative, Geometric, and Magnetic Parameters Employed in the Calculations of the cw-EPR Spectra of Mono-Labeled Peptides.
HEPTA6 | OCTA7 | NONA2 | |
---|---|---|---|
Calculated Parameters | |||
D/109 Hza | 1.03, 1.08, 2.75 | 1.36, 1.38, 3.78 | 1.08, 1.11, 3.35 |
g – ge/10–3 a | 6.41, 3.66, −0.29 | 6.48, 3.71, −0.22 | 6.97, 4.14, 0.16 |
Ωg/dega | –2.0, 89.9, −1.6 | –107.5, 12.5, 170.2 | 153.0, 182.1, 249.4 |
A – Aiso/Gaussa | –9.24, −9.10, 18.34 | –9.22, −9.08, 18.33 | –9.10, −8.94, 18.01 |
ΩA/dega | 77.7, 172.1, −70.6 | 151.5, 10.4, 162.7 | 146.0, 174.5, −102.7 |
Parameters from Experimental Setup/Spectra | |||
ω/109 Hzb | 9.784351 | 9.784351 | 9.786595 |
gcorr/Gaussc | +11.5 | +11.5 | +11.5 |
Aiso/Gaussd | 14.74 | 14.74 | 14.74 |
Fit Parameters | |||
γ/Gausse | 0.73 | 0.70 | 0.58 |
Principal values of tensors and their transformation angles with respect to MF.
Spectrometer frequency.
Shift correction.
Isotropic part of the hyperfine interaction tensor.
Intrinsic line width.