Hi,
In my project I have a molecular system with two chains: a peptide with
the range 59-73, and a protein with the range 305-405. I imported an
assigned Sparky lists for the peptide that had assignments for the
residues in the range 60-73. At the link resonances stage I had two
separate boxes for the protein and the peptide of the data model, but
the sequence code entry for the external file didn't display the correct
range (snapshot attached). None of the numbers corresponded the
assignments in the file. 359 and 381 seemed to correspond to the
residues in the protein, so I selected 359 in both boxes. Surprisingly,
the peptide resonances were linked correctly despite the wrong display
of the ranges and "do not link" option. Does anyone have an explanation
for this?
My Sparky peak table (part):
Assignment w1 w2
?-? 4.538 -0.129
?-? 4.539 0.088
?-? 0.691 10.108
?-? 0.690 10.268
R60HA-HB2 4.284 1.638
R60HA-HB3 4.280 1.719
R60HA-QD 4.289 3.032
R60HA-QG 4.279 1.505
R60HB2-HA 1.622 4.285
R60HB2-QD 1.622 3.034
R60HB2-QG 1.618 1.497
R60HB3-HA 1.714 4.282
R60HB3-QD 1.714 3.025
R60HB3-QG 1.706 1.498
R60QD-HB2 3.023 1.633
R60QD-HB3 3.023 1.718
R60QD-QG 3.021 1.494
R60QG-HA 1.504 4.290
R60QG-HB2 1.498 1.624
R60QG-HB3 1.505 1.720
R60QG-QD 1.500 3.032
S61HA-HN 4.340 8.383
S61HA-K62HN 4.349 8.434
S61HB2-HN 3.764 8.386
S61HB2-K62HN 3.762 8.428
S61HB3-HN 3.810 8.386
S61HB3-K62HN 3.811 8.431
S61HN-HA 8.426 4.359
S61HN-HB2 8.430 3.764
S61HN-HB3 8.429 3.820
K62HA-HB2 4.156 1.666
K62HA-HB3 4.161 1.728
Cheers
Igor
--
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
|