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Dear all,

I'm trying to use create a synthetic peaklist for a 4D H[C]_H[C].through-space spectrum based on the structure.
I noticed that ccpn generates the list but only about 50% of the synthetic peaks have an assignment.
How can that be? 
To predict a peak based on the structure ccpn must look up the shifts for the atoms that are in spatial proximity and should then just assign the peak to those atoms.

Matthias