09-Aug-2004 15:01:07 LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University ___________________________________________________________________ CYANA 1.0.6 (gnu-lam) Copyright (c) 2002 Peter Guntert Contains CANDID, copyright (c) 2002 Peter Guntert, Torsten Herrmann All rights reserved. ___________________________________________________________________ Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. Sequence file "at3g51030.seq" read, 124 residues. cyana> cyana> cyana> - CANDID: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - CANDID: read seq at3g51030.seq Sequence file "at3g51030.seq" read, 124 residues. - CANDID: candid peaks=n15no,c13no,c13noar prot=at3g51030 calculation=ANNEAL ======================= Check ======================== - candid: peakcheck peaks=n15no,c13no,c13noar prot=at3g51030 ------------------------------------------------------------ Peak list : n15no Proton list: at3g51030 - peakcheck: read prot at3g51030 unknown=warn Chemical shift list "at3g51030.prot" read, 1247 chemical shifts. - peakcheck: read peaks n15no Peak list "n15no.peaks" read, 1103 peaks, 129 assignments. - peakcheck: atom shift unusual Atom shift limit1 - limit2 CG2 ILE 19 58.046 11.300 27.000 CB THR 23 31.514 64.700 75.700 HB3 ASP- 44 1.345 1.700 3.780 CE3 TRP 49 121.953 117.630 121.930 NE1 TRP 49 134.864 126.260 132.070 N GLY 51 121.378 99.100 120.100 CG PRO 52 28.730 24.100 28.600 N CYS 53 110.833 111.200 132.300 CG1 ILE 56 31.788 16.500 30.870 CD1 ILE 56 56.428 8.000 18.000 CA ALA 57 57.398 47.150 57.300 CB ALA 57 57.722 14.500 24.200 QE PHE 60 7.630 5.560 7.510 HA ALA 64 2.841 2.940 6.160 CG2 VAL 70 63.870 15.300 26.200 HN VAL 83 6.591 6.680 10.150 CG2 VAL 83 62.252 15.300 26.200 HD1 TRP 87 7.750 5.930 7.430 HZ2 TRP 87 7.614 6.290 7.570 CD1 ILE 89 50.604 8.000 18.000 CG1 VAL 107 63.870 15.300 26.200 CG2 VAL 107 62.575 15.300 26.200 CA THR 118 26.013 56.800 69.100 CB THR 118 26.660 64.700 75.700 CG2 THR 118 62.252 17.500 25.700 CA ILE 119 66.884 55.200 66.600 CB ALA 124 61.605 14.500 24.200 27 shifts outside expected range. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13no Proton list: at3g51030 - peakcheck: read prot at3g51030 unknown=warn Chemical shift list "at3g51030.prot" read, 1247 chemical shifts. - peakcheck: read peaks c13no Peak list "c13no.peaks" read, 2700 peaks, 1605 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13noar Proton list: at3g51030 - peakcheck: read prot at3g51030 unknown=warn Chemical shift list "at3g51030.prot" read, 1247 chemical shifts. - peakcheck: read peaks c13noar Peak list "c13noar.peaks" read, 244 peaks, 32 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 09-Aug-2004 15:01:14