Subject: Re: Residue labeling conventions
From: eisoab
Date: Aug 13, 2009

Previous: 594

--- In nmr_sparky@yahoogroups.com , nickfitzkee nfitzkee.lab@... wrote:

Hi all,

Is there a standard way to represent negative residue numbers (i.e. a
leader sequence)

not that I know of

or multiple conformations (e.g. pro isomers or spin
states) in the assignment table? So far Ive gotten away with the
following:

for multiple forms you can use optional lowercap letter
in between the resnr and the atomname

e.g. A11aHA

if I remember correctly this is officially supported. so
if you use this in a peak .list file that you read in it will
be parsed correctly.

goodluck, Eiso

A(1)N-HN - for residue -1

A1NU-HN - for upfield N peak
A1ND-HN - for downfield N peak

A1N-HN - main conformation
A1001N-HN - alternate conformation (add 1000)

These work with some success, but Im wondering if theres a better or
more standard way.

Thanks,
Nick