Hi,
When I export ShiftList in CYANA format the equivalent protons for CH2
groups get compressed into Qs automatically. At the same time the
"Compress names in output" button in "export peaks" doesn't seem to have
any effect on the produced file. As the result the equivalent CH2
protons are listed as Qs in .prot file, but referred to separately in
the .peak file, creating inconsistency (example below). CYANA then
complains "*** WARNING: Assignment of peak 66 not found in chemical
shift list". Is there any way to correct this?
Thanks
Igor
----------------------------------
.prot
88 999.000 0.000 HG2 7
89 999.000 0.000 HG3 7
90 1.524 0.003 QG 7
----------------------------------
.peak
66 56.146 1.517 4.182 1 T 9.662e+05 0.00e+00 a 0
81 88 82 0
81 89 82
--
Dr. Igor Barsukov
Biological NMR Centre,
University of Leicester
PO Box 138,
University Road,
Henry Wellcome Building,
Leicester LE1 9HN
UK
E-mail: [log in to unmask]
Tel: +44 (0)116 229 7098
FAX: +44 (0)116 229 7053
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