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. Author manuscript; available in PMC: 2020 May 6.
Published in final edited form as: J Phys Chem B. 2020 Mar 16;124(12):2331–2342. doi: 10.1021/acs.jpcb.9b11506

Table 1.

Rotational Correlation Times (τ) and Relative Population (P) of Two Spectral Components of the EPR Spectra (Figure 4) Obtained from the Best-Fit NLSL MOMD Spectral Simulationa

liposomes lipodisq
sites temperature (K) τ, ns (site 1) τ, ns (site 2) P, % (site 1) P, % (site 2) τ, ns (site 1) τ, ns (site 2) P, % (site 1) P, % (site 2)
F130C 297 23 1 63 37 57 1.8 73 27
325 1.1 1.0 33 67 34 0.8 92 8
V165C 297 17 1.1 64 36 58 2.3 63 37
325 1.8 0.8 77 23 18 1.0 82 18
Q147C 297 19 1.5 58 42 54 1.9 72 28
325 1.6 1.0 13 87 15 1.0 82 18
a

The uncertainty in the correlation time (τ) value is ±0.5−2 ns for liposome samples and ±0.5−5 ns for lipodisq samples, respectively. Similarly, the uncertainty in the relative population (P) value is ±3−6% for liposome samples and ±2−4% for lipodisq samples. These uncertainties were estimated based on the multiple batches of sample preparation and multiple simulations runs.