Hi, i just have a small question about the use of <R-3> noe distance averaging option.
i understand that this option calculates the distance between a proton and another *one* that is jumping through several sites a lot faster then overall tumbling. (i emphasised *one* because that follows from the description of analogous <R-6> option in the manual http://atb.slac.stanford.edu/xplor/manual/node358.html#noeaveraging ) now if i have a methyl group that is rotating through its three minimum energy sites i have three such protons. should i therefore use scaled distance restraint d_scaled = d_raw * N^(-1/6), with N=3 for the three methyl protons. where d_raw = (cal_const/cross_peak_intensity)^(-1/6) (or in other words use scaled noe signal to get a contribution from an individual 'jumping' atom) or XPLOR does that scaling automatically and i could just use the 'raw' distance restraint? Thank you. Evgeny.
