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. Author manuscript; available in PMC: 2011 Sep 29.
Published in final edited form as: J Am Chem Soc. 2010 Sep 29;132(38):13346–13356. doi: 10.1021/ja1048187

Table 3.

Values of the center distances R calculated using Fitting Procedure 2 in Table 1.a

1HN R [Å]
I13 22.3 ± 0.5
V14 23.5 ± 0.5
W15 24.5 ± 0.5
S16 25.4 ± 0.6
Y41 24.0 ± 0.5
W43 23.5 ± 0.5
K44 22.6 ± 0.5
M45 23.0 ± 0.5
L46 23.2 ± 0.5
W52 23.4 ± 0.5
F54 23.6 ± 0.5
F55 22.9 ± 0.5
Q56 23.1 ± 0.5
E57 24.1 ± 0.5
A58 23.5 ± 0.5
Q59 22.7 ± 0.5
K60 24.1 ± 0.5
L61 24.6 ± 0.6
A63 23.8 ± 0.5
M64 25.8 ± 0.6
H65 25.8 ± 0.6
R66 25.0 ± 0.6
a

Values were obtained via minimization of the χ2 function defined by Eq. [14] together with Eq. [16] (Fitting Procedure 2 in Table 1). Values of the correlation times τc and τi were calculated to be 7.7 ± 0.8 ns and 0.21 ± 0.01 ns, respectively. The distribution radius RP, defined as a global parameter, was calculated to be 7.4 ± 0.6 Å.