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. 2017 Apr 19;121(17):4379–4387. doi: 10.1021/acs.jpcb.7b01050

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
gge/10–3a 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
AAiso/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
a

Principal values of tensors and their transformation angles with respect to MF.

b

Spectrometer frequency.

c

Shift correction.

d

Isotropic part of the hyperfine interaction tensor.

e

Intrinsic line width.