Table 3. Dissipative, Geometric and Magnetic Parameters Employed in the Calculations of cw-EPR Spectra of bis-Labeled Peptides.

	HEXA1,5	HEPTA3,6	OCTA2,7	NONA2,8
Calculated Parameters
D/109 Hza	0.89, 0.92, 1.69	0.83, 0.87, 2.04	1.01, 1.03, 1.93	0.51, 0.53, 1.48
g1 – ge/10–3 a	6.90, 4.20, 0.02	6.83, 4.08, 0.13	6.97, 4.14, 0.16	6.70, 3.90, −0.10
Ωg1/ dega	–87.4, 116.4, −147.9	171.5, 7.6, −28.0	154.0, 182.1, 249.4	153.0, 182.1, 249.4
A1 – Aiso/Gaussa	–9.10, −8.94, 18.01	–9.24, −9.10, 18.34	–9.10, −8.94, 18.01	–9.10, −8.94, 18.01
ΩA1/dega	–157.2, 45.6, −139.3	171.5, 24.5, −98.3	146.0, 174.5, −102.7	146.0, 174.5, −102.7
g2 – ge/10–3 a	6.41, 3.66, −0.29	6.97, 4.14, 0.16	6.88, 4.10, 0.18	6.48, 3.71, −0.22
Ωg2/dega	37.4, 87.2, 133.3	–40.3, 137.6, 169.3	–107.5, 12.5, 170.2	–107.5, 12.5, 170.2
A2 – Aiso/Gaussa	–9.24, −9.10, 18.34	–9.10, −8.94, 18.01	–9.22, −9.08, 18.33	–9.22, −9.08, 18.33
ΩA2/dega	37.4, 87.2, 133.3	–40.3, 137.6, 169.3	151.5, 10.4, 162.7	6.3, 90.0, −180.0
r/Åb	11.9	7.0	15.0	12.9
Parameters from Experimental Setup/Spectra
ω/109 Hzc	9.787400	9.787091	9.786611	9.785979
gcorr/Gaussd	+11.5	+11.5	+11.5	+11.5
Aiso/Gausse	14.74	14.74	14.74	14.74
Fit Parameters
J/Gaussf	250	>300	–0.38	0.31
γ/Gaussg	1.16	0.92	0.42	0.44

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

^bGeometric distance.

^cSpectrometer frequency.

^dShift correction.

^eIsotropic part of the hyperfine interaction tensor.

^fExchange interaction.

^gIntrinsic line width.