Skip to main content
. Author manuscript; available in PMC: 2014 Jul 27.
Published in final edited form as: J Comput Aided Mol Des. 2013 Jul 27;27(7):569–582. doi: 10.1007/s10822-013-9662-6

Table 2.

PRE data for O2N-[HoPhe]-Ala-COOH bound to the gp41 hydrophobic pocket

Proton R2bpara / s−1 §
a 17.08 – 28.24
b 20.88 – 31.43
d 33.89 – 43.08
e 38.37 = 52.75
f 50–17 – 65.85
g 52.39 – 65.93
h 43.35 – 74.37
k 43.37 – 61.53
§

experimental PRE range was calculated from the uncertainty in measured KD and the errors in the best fit lines to paramagnetic and diamagnetic data.