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. 2018 Jun 7;114(11):2617–2629. doi: 10.1016/j.bpj.2018.04.016

Table 6.

Comparison of Full versus Modified Gaussian Analyses of GWALP23 Family Peptides in DMPC Bilayers Using 2H-Quadrupolar Splittings

Modifieda
 GW4,20ALP23 (8 Data Points)
 GW5,19ALP23 (6 Data Points)
(Fixed) στ τ0 ρ0 σρ RMSD (kHz) τ0 ρ0 σρ RMSD (kHz)
5° 21° 346° 148° 0.98 13° 308° 44° 1.1
10° 19° 346° 138° 0.98 13° 308° 42° 1.2
15° 4.0° 344° 42° 0.96 16° 307° 51° 1.6
20° 5.0° 348° 51° 0.68 18° 306° 51° 2.3
Fullb τ0 ρ0 σρ RMSD (kHz)
5.0° 347° 51° 0.68
a

A modified three-variable Gaussian treatment was used as described by (28) while constraining στ to finite values (19).

b

For GW4,20ALP23, a full Gaussian analysis was used, and the resulting στ-value was 20°.