Tim,
Thanks for the patch and the explanation.
And yes, even I can see thicket of thorns. If there is no CCPN/IUPAC name
for an unrestricted carbon, nitrogen, or proton, one could perhaps use
a second letter ("U"?) in the systematic experiment name (and either
only U (given "isotope") or HU, NU, CU, in atomsite.name), freeing up the
single letters C, H, and N for specifically referring to carbonyls,
and amide protons and nitrogens. The H_H.NOESY would become the longer,
more unsightly (and funnier) HU_HU.NOESY, etc. But then as you indicated
one would need to decide between common usage (backbone amides in the
hsqc and backbone HNC in the hnco) and all possible side chain signals
observable under some circumstances, leading to names like HU[NU] and
HU[NU[CU]] and similar ranges of possibilities in the atom site(s). Could
one perhaps use a list of possible atoms in atomsite.name, rather than
having to choose between a single type and an overly broad wildcard
specifier - with the atom type most commonly referred to being first in
the list, and the default for operations that use it?
Anyway, thanks again, - Mark
