Re: nmr, what's real, what's imagination

DUNTEN@XRAY.BMC.UU.SE
Fri, 7 Apr 1995 20:58:14 +0300 (MET-DST)

As we have yet to hear from an NMR expert, this clueless, curious
crystallographer has tried looking into the pdb's nmr_restraints files.
There seems to be all sorts of interesting information there, but no
format description. Here's an example of 2 lines from the pdb file:

! noe restraints
assign (resid 2 and name HB* ) (resid 30 and name HE* ) 1.8 0.0 3.2

Seems clear that NMR detects an interaction between residues 2 and 30
(in cheY, by the way), but those 3 numbers at the end of the line are
a mystery to me. Anyone have any ideas??

Cheers, Pete