Dear Wim,
The AQUA system name is what we need.
Thank you very much, I would not have guessed that AQUA contains the proper Markley assignment code!
PS: Did you happen to figure out a way to properly export the line width for an nmrDraw peak list? Updated line width from ccpnmr?
Sincerely
Dean
ETH Zürich
Dean Strotz
Laboratorium f. Physikalische Chemie
HCI F 217
Wolfgang-Pauli-Str. 10
8093 Zürich
Phone: +41 44 632 09 22
E-Mail: [log in to unmask]<mailto:[log in to unmask]>
On Oct 26, 2012, at 12:38 PM, Wim Vranken wrote:
Dear Dean,
> The reason I am asking is; for a limited set of peaks the naming standard might be matching for to what we need, but then for a few that maybe we only discover down the road it might not.
Fair point; attached a list for all natural amino acids, first column is the CCPN name, second column the AQUA system name (n/a means not available).
Best regards,
Wim
<aquaNames.txt>
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