23-Dec-2004 12:03:52 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. ___________________________________________________________________ cyana> cyana> cyana> - at1g16640: 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. - at1g16640: read seq ./at1g16640.seq Sequence file "./at1g16640.seq" read, 102 residues. - at1g16640: peakcheck peaks=c13no,n15no,c13ar prot=at1g16640 ------------------------------------------------------------ Peak list : c13no Proton list: at1g16640 - peakcheck: read prot at1g16640 unknown=warn Chemical shift list "at1g16640.prot" read, 950 chemical shifts. - peakcheck: read peaks c13no *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1543 not found in chemical shift list. *** WARNING: Assignment of peak 1544 not found in chemical shift list. *** WARNING: Assignment of peak 1559 not found in chemical shift list. *** WARNING: Assignment of peak 1562 not found in chemical shift list. *** WARNING: Assignment of peak 1563 not found in chemical shift list. *** WARNING: Assignment of peak 1569 not found in chemical shift list. *** WARNING: Assignment of peak 1590 not found in chemical shift list. *** WARNING: Assignment of peak 1682 not found in chemical shift list. *** WARNING: Assignment of peak 1683 not found in chemical shift list. *** WARNING: Assignment of peak 1684 not found in chemical shift list. *** WARNING: Assignment of peak 1686 not found in chemical shift list. *** WARNING: Assignment of peak 1773 not found in chemical shift list. *** WARNING: Assignment of peak 1781 not found in chemical shift list. *** WARNING: Assignment of peak 1824 not found in chemical shift list. *** WARNING: Assignment of peak 1827 not found in chemical shift list. *** WARNING: Assignment of peak 1833 not found in chemical shift list. *** WARNING: Assignment of peak 1839 not found in chemical shift list. *** WARNING: Assignment of peak 1840 not found in chemical shift list. *** WARNING: Assignment of peak 1892 not found in chemical shift list. *** WARNING: Assignment of peak 1893 not found in chemical shift list. *** WARNING: Assignment of peak 1894 not found in chemical shift list. *** WARNING: Assignment of peak 1900 not found in chemical shift list. *** WARNING: Assignment of peak 1901 not found in chemical shift list. *** WARNING: Assignment of peak 1908 not found in chemical shift list. *** WARNING: Assignment of peak 1910 not found in chemical shift list. *** WARNING: Assignment of peak 1924 not found in chemical shift list. *** WARNING: Assignment of peak 1926 not found in chemical shift list. *** WARNING: Assignment of peak 1966 not found in chemical shift list. *** WARNING: Assignment of peak 1994 not found in chemical shift list. *** WARNING: Assignment of peak 2030 not found in chemical shift list. *** WARNING: Assignment of peak 2031 not found in chemical shift list. *** WARNING: Assignment of peak 2133 not found in chemical shift list. *** WARNING: Assignment of peak 2136 not found in chemical shift list. *** WARNING: Assignment of peak 2137 not found in chemical shift list. *** WARNING: Assignment of peak 2145 not found in chemical shift list. *** WARNING: Assignment of peak 2196 not found in chemical shift list. *** WARNING: Assignment of peak 2199 not found in chemical shift list. *** WARNING: Assignment of peak 2200 not found in chemical shift list. *** WARNING: Assignment of peak 2202 not found in chemical shift list. *** WARNING: Assignment of peak 2203 not found in chemical shift list. *** WARNING: Assignment of peak 2204 not found in chemical shift list. *** WARNING: Assignment of peak 2249 not found in chemical shift list. *** WARNING: Assignment of peak 2250 not found in chemical shift list. *** WARNING: Assignment of peak 2255 not found in chemical shift list. *** WARNING: Assignment of peak 2256 not found in chemical shift list. *** WARNING: Assignment of peak 2264 not found in chemical shift list. *** WARNING: Assignment of peak 2292 not found in chemical shift list. *** WARNING: Assignment of peak 2334 not found in chemical shift list. *** WARNING: Assignment of peak 2340 not found in chemical shift list. *** WARNING: Assignment of peak 2341 not found in chemical shift list. *** WARNING: Assignment of peak 2377 not found in chemical shift list. *** WARNING: Assignment of peak 2378 not found in chemical shift list. *** WARNING: Assignment of peak 2476 not found in chemical shift list. *** WARNING: Assignment of peak 2478 not found in chemical shift list. *** WARNING: Assignment of peak 2629 not found in chemical shift list. *** WARNING: Assignment of peak 2631 not found in chemical shift list. *** WARNING: Assignment of peak 2637 not found in chemical shift list. *** WARNING: Assignment of peak 2638 not found in chemical shift list. *** WARNING: Assignment of peak 2644 not found in chemical shift list. *** WARNING: Assignment of peak 2646 not found in chemical shift list. *** WARNING: Assignment of peak 2673 not found in chemical shift list. *** WARNING: Assignment of peak 2727 not found in chemical shift list. *** WARNING: Assignment of peak 2754 not found in chemical shift list. *** WARNING: Assignment of peak 2759 not found in chemical shift list. *** WARNING: Assignment of peak 2764 not found in chemical shift list. *** WARNING: Assignment of peak 2968 not found in chemical shift list. *** WARNING: Assignment of peak 2978 not found in chemical shift list. *** WARNING: Assignment of peak 2979 not found in chemical shift list. *** WARNING: Assignment of peak 2980 not found in chemical shift list. *** WARNING: Assignment of peak 2984 not found in chemical shift list. *** WARNING: Assignment of peak 2985 not found in chemical shift list. *** WARNING: Assignment of peak 2986 not found in chemical shift list. *** WARNING: Assignment of peak 2995 not found in chemical shift list. *** WARNING: Assignment of peak 2996 not found in chemical shift list. *** WARNING: Assignment of peak 2999 not found in chemical shift list. *** WARNING: Assignment of peak 3000 not found in chemical shift list. *** WARNING: Assignment of peak 3028 not found in chemical shift list. *** WARNING: Assignment of peak 3107 not found in chemical shift list. *** WARNING: Assignment of peak 3111 not found in chemical shift list. *** WARNING: Assignment of peak 3121 not found in chemical shift list. *** WARNING: Assignment of peak 3122 not found in chemical shift list. *** WARNING: Assignment of peak 3125 not found in chemical shift list. *** WARNING: Assignment of peak 3132 not found in chemical shift list. *** WARNING: Assignment of peak 3149 not found in chemical shift list. *** WARNING: Assignment of peak 3212 not found in chemical shift list. *** WARNING: Assignment of peak 3218 not found in chemical shift list. *** WARNING: Assignment of peak 3258 not found in chemical shift list. *** WARNING: Assignment of peak 3293 not found in chemical shift list. *** WARNING: Assignment of peak 3295 not found in chemical shift list. *** WARNING: Assignment of peak 3296 not found in chemical shift list. *** WARNING: Assignment of peak 3299 not found in chemical shift list. *** WARNING: Assignment of peak 3300 not found in chemical shift list. *** WARNING: Assignment of peak 3301 not found in chemical shift list. *** WARNING: Assignment of peak 3302 not found in chemical shift list. *** WARNING: Assignment of peak 3324 not found in chemical shift list. Peak list "c13no.peaks" read, 2604 peaks, 2060 assignments. - peakcheck: atom shift unusual Atom shift limit1 - limit2 CB THR 4 28.595 64.700 75.700 CG2 THR 4 63.231 17.500 25.700 CG1 VAL 7 63.555 15.300 26.200 CG2 VAL 7 60.965 15.300 26.200 HA GLN 8 6.225 3.150 5.830 CE MET 10 58.700 13.000 19.200 CG2 ILE 14 59.671 11.300 27.000 CD1 ILE 14 53.520 8.000 18.000 HA SER 18 5.992 3.570 5.900 CA SER 19 63.231 53.000 62.900 HG3 GLU- 23 1.209 1.480 2.790 CG2 ILE 24 57.728 11.300 27.000 CD1 ILE 24 52.549 8.000 18.000 CB ALA 34 62.260 14.500 24.200 CG2 ILE 38 59.671 11.300 27.000 CD1 ILE 38 54.491 8.000 18.000 CG2 THR 39 63.555 17.500 25.700 CG2 VAL 40 59.994 15.300 26.200 CB SER 46 23.416 58.300 70.000 NE1 TRP 50 132.237 126.260 132.070 CG2 THR 51 63.879 17.500 25.700 CG2 VAL 52 63.555 15.300 26.200 CE MET 54 58.700 13.000 19.200 N GLY 58 127.773 99.100 120.100 CG2 VAL 61 63.879 15.300 26.200 CG1 VAL 65 63.231 15.300 26.200 CG2 VAL 65 62.584 15.300 26.200 HA PHE 70 2.440 2.500 5.960 CA VAL 71 24.711 52.000 69.900 HA VAL 71 2.622 3.020 5.930 CG2 VAL 71 63.231 15.300 26.200 CG LYS+ 80 26.653 20.900 26.440 CG2 ILE 85 59.994 11.300 27.000 CD1 ILE 85 55.786 8.000 18.000 HB2 ARG+ 90 2.516 -0.380 2.510 NE ARG+ 90 117.042 78.960 89.300 CB THR 91 29.243 64.700 75.700 CG2 THR 91 63.231 17.500 25.700 CG2 VAL 94 63.231 15.300 26.200 CG2 ILE 95 59.671 11.300 27.000 CD1 ILE 95 55.463 8.000 18.000 CG2 ILE 96 59.994 11.300 27.000 CD1 ILE 96 56.110 8.000 18.000 43 shifts outside expected range. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks CB ALA 2 19.298 60.732 41.434 4 QG1 VAL 7 0.313 0.303 0.033 19 QG2 VAL 7 0.510 0.500 0.042 22 HB3 GLN 8 2.256 2.247 0.034 13 HA LYS+ 11 5.146 5.137 0.030 12 QD LYS+ 11 1.664 1.652 0.035 5 QD PRO 12 3.894 3.876 0.033 15 HB2 PHE 13 3.146 3.133 0.034 8 CA SER 15 59.347 62.900 3.553 6 HA SER 15 3.857 3.986 0.139 8 HA LYS+ 20 4.731 4.714 0.033 11 HB2 SER 21 3.897 3.886 0.038 8 HB3 LEU 22 -0.470 -0.479 0.041 19 HA ILE 24 3.428 3.418 0.032 15 QG2 ILE 24 0.619 0.604 0.035 21 QD1 ILE 24 0.341 0.330 0.041 20 HB3 PRO 25 1.745 1.732 0.032 8 HD3 PRO 25 1.832 1.821 0.038 14 HA GLU- 30 4.118 4.108 0.034 7 QB PHE 32 3.073 3.062 0.037 13 HG3 PRO 33 1.852 1.840 0.041 13 HA ALA 34 4.735 4.728 0.038 5 QB ALA 34 1.345 1.334 0.038 11 HD3 PRO 35 2.593 2.582 0.040 10 HB2 PRO 37 2.435 2.424 0.037 12 QD1 ILE 38 0.999 0.985 0.035 18 QG1 VAL 40 0.994 0.983 0.031 18 HA LEU 42 5.375 5.365 0.032 15 HB3 LEU 42 1.220 1.209 0.031 15 HG LEU 42 1.810 1.799 0.034 15 QD1 LEU 42 0.625 0.614 0.040 22 QD2 LEU 43 0.862 0.850 0.040 20 HN ASP- 44 8.000 8.026 0.035 5 HA ARG+ 48 4.065 4.050 0.036 14 HG3 ARG+ 48 1.157 1.146 0.032 15 QB SER 49 3.531 3.520 0.031 14 HB VAL 52 2.037 2.021 0.041 13 QG1 VAL 52 1.080 1.069 0.037 25 HG2 ARG+ 53 1.811 1.799 0.037 9 HA MET 54 5.441 5.425 0.038 16 HG3 MET 54 2.018 2.008 0.032 14 QE MET 54 1.204 1.192 0.036 31 HB2 LYS+ 55 1.761 1.751 0.035 10 QE LYS+ 55 2.964 2.953 0.039 9 HG2 LYS+ 56 1.054 1.043 0.042 8 HE2 LYS+ 56 2.565 2.551 0.031 20 HE3 LYS+ 56 2.383 2.359 0.035 12 QG GLU- 59 2.317 2.307 0.036 6 QG2 VAL 61 0.801 0.790 0.034 31 HA PHE 62 5.275 5.265 0.031 9 QB PHE 62 2.523 2.513 0.034 15 HB3 LEU 63 1.289 1.280 0.038 12 QD1 LEU 63 0.331 0.320 0.032 18 HA THR 64 4.783 4.771 0.033 8 QG2 THR 64 0.987 0.976 0.035 14 QG1 VAL 65 1.225 1.215 0.042 10 HA1 GLY 66 5.077 5.064 0.032 6 HA2 GLY 66 4.033 4.021 0.035 6 QB GLU- 68 2.201 2.190 0.033 13 HA ASN 69 4.482 4.466 0.042 7 HA VAL 71 2.622 2.611 0.031 12 HB VAL 71 1.918 1.905 0.035 10 QG2 VAL 71 0.764 0.753 0.031 20 HA LEU 76 3.523 3.508 0.032 13 HG LEU 76 0.994 0.983 0.032 10 QD1 LEU 76 0.415 0.403 0.041 20 QD2 LEU 76 0.427 0.415 0.041 19 QG LYS+ 80 1.593 1.581 0.038 9 HA TYR 81 4.809 4.793 0.033 7 HB2 TYR 81 2.800 2.784 0.042 7 HG LEU 82 1.786 1.775 0.032 13 QD1 LEU 82 1.281 1.269 0.042 25 QD2 LEU 82 0.958 0.947 0.034 23 HA GLN 83 5.119 5.106 0.040 12 QG2 ILE 85 0.980 0.966 0.030 15 QD1 ILE 85 0.890 0.879 0.032 12 HA ARG+ 88 3.032 3.018 0.039 11 HG2 ARG+ 88 1.374 1.364 0.039 13 QG2 THR 91 1.022 1.011 0.036 15 HB3 PHE 92 2.811 2.802 0.031 10 QG2 VAL 94 0.253 0.241 0.033 24 HG13 ILE 95 1.117 1.106 0.031 13 QD1 ILE 95 0.869 0.858 0.035 21 HA ILE 96 4.670 4.654 0.033 7 QG2 ILE 96 0.796 0.785 0.039 13 QD1 ILE 96 0.627 0.616 0.035 19 HA HIS 99 4.809 4.709 0.100 1 87 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 28 3 41.434 CB ALA 2 29 3 41.434 CB ALA 2 186 1 0.129 HA SER 15 186 2 0.129 HA SER 15 186 3 3.553 CA SER 15 593 2 -0.031 HA PHE 62 636 1 -0.100 HA HIS 99 1477 1 -0.038 HA ALA 34 1485 3 41.434 CB ALA 2 1486 3 41.434 CB ALA 2 1500 2 -0.042 QG1 VAL 65 1511 2 -0.035 HA2 GLY 66 1521 1 -0.039 HA ARG+ 88 1566 1 -0.038 HA GLN 83 1568 1 -0.031 HA GLN 83 1579 1 -0.030 QG2 ILE 85 1588 1 -0.040 HA GLN 83 1592 1 -0.033 QD PRO 12 1595 1 -0.042 QD1 LEU 82 1612 1 -0.030 HA LYS+ 11 1627 1 -0.039 QD1 LEU 82 1634 1 -0.034 HB3 GLN 8 1658 1 -0.035 HB VAL 71 1659 1 -0.030 QG2 VAL 71 1676 2 -0.036 QG GLU- 59 1682 2 0.129 HA SER 15 1682 3 3.553 CA SER 15 1689 2 0.129 HA SER 15 1689 3 3.553 CA SER 15 1691 2 0.129 HA SER 15 1691 3 3.553 CA SER 15 1692 2 0.129 HA SER 15 1692 3 3.553 CA SER 15 1693 2 0.129 HA SER 15 1693 3 3.553 CA SER 15 1717 1 -0.038 HB2 SER 21 1719 1 -0.038 HB2 SER 21 1727 1 -0.038 HB3 LEU 63 1729 1 -0.038 HB3 LEU 63 1743 1 -0.035 QD LYS+ 11 1749 1 -0.035 QD LYS+ 11 1795 1 -0.038 HD3 PRO 25 1805 1 -0.038 HD3 PRO 25 1815 1 -0.038 HD3 PRO 25 1816 1 -0.038 HD3 PRO 25 1836 1 -0.032 HA ILE 24 1838 1 -0.032 HA ILE 24 1856 1 -0.030 QD1 ILE 24 1903 2 -0.042 HB2 TYR 81 1905 1 -0.035 QG2 ILE 24 1906 1 -0.032 HB3 PRO 25 1923 1 -0.033 QG1 VAL 7 1938 1 -0.038 QB ALA 34 1949 1 -0.037 HB2 PRO 37 1974 1 -0.037 QB PHE 32 1978 1 -0.037 QB PHE 32 1998 1 -0.031 QB PHE 32 2008 1 -0.031 QG1 VAL 40 2010 1 -0.030 QE MET 54 2011 1 -0.031 QG1 VAL 40 2102 1 -0.041 HG3 PRO 33 2122 1 -0.036 QG2 THR 91 2125 1 -0.035 HB2 LYS+ 55 2126 1 -0.036 QG2 THR 91 2128 1 -0.031 HB3 LEU 42 2155 1 -0.033 QG2 VAL 94 2157 1 -0.033 QG2 VAL 94 2160 1 -0.032 HG LEU 42 2170 1 -0.032 HG LEU 42 2177 1 -0.031 HB3 LEU 42 2178 1 -0.032 HG LEU 42 2180 1 -0.031 HB3 PHE 92 2187 1 -0.040 QD2 LEU 43 2214 1 -0.033 QG2 VAL 94 2218 1 -0.031 HB3 LEU 42 2232 1 -0.031 QB SER 49 2237 1 -0.031 QB SER 49 2246 1 -0.031 QB SER 49 2251 1 0.035 HN ASP- 44 2290 1 -0.036 HA ARG+ 48 2303 1 -0.032 HG3 ARG+ 48 2305 1 -0.032 HG3 ARG+ 48 2318 1 -0.042 QG2 VAL 7 2384 1 -0.032 HA1 GLY 66 2386 1 -0.032 QD1 LEU 63 2387 1 -0.040 QD1 LEU 42 2391 1 -0.041 HB VAL 52 2402 1 -0.033 HB VAL 52 2404 1 -0.032 QD1 LEU 63 2408 1 -0.032 QD1 LEU 63 2422 2 -0.037 HG2 ARG+ 53 2489 1 -0.035 QG2 THR 64 2490 1 -0.034 QB PHE 62 2493 1 -0.039 QE LYS+ 55 2498 1 -0.034 HA GLU- 30 2529 1 -0.042 HG2 LYS+ 56 2536 1 -0.031 HE2 LYS+ 56 2537 1 -0.034 QG2 VAL 61 2543 1 -0.034 QG2 VAL 61 2549 1 -0.035 HE3 LYS+ 56 2550 1 -0.034 QG2 VAL 61 2555 1 -0.033 HA TYR 81 2556 1 -0.034 QG2 VAL 61 2606 1 -0.041 QD1 ILE 24 2611 1 -0.036 QE MET 54 2616 1 -0.032 HE3 LYS+ 56 2660 1 -0.032 HG3 MET 54 2663 1 -0.037 QG1 VAL 52 2678 1 -0.041 HB3 LEU 22 2687 1 -0.038 HA MET 54 2695 1 -0.033 HA THR 64 2731 1 -0.033 HA LYS+ 20 2733 1 -0.031 QG2 VAL 71 2737 1 -0.033 HA LYS+ 20 2743 1 -0.033 HA LYS+ 20 2782 1 -0.034 HB VAL 71 2784 1 -0.033 QB GLU- 68 2818 1 -0.042 HA ASN 69 2854 1 -0.041 QD1 LEU 76 2855 1 -0.035 QD1 LEU 76 2856 1 -0.041 QD2 LEU 76 2863 1 -0.039 QG2 ILE 96 2865 1 -0.035 QD1 ILE 96 2881 1 -0.031 HA VAL 71 2883 1 -0.032 HA LEU 76 2884 1 -0.032 HG LEU 76 2885 1 -0.032 HG LEU 76 2921 1 -0.038 QG LYS+ 80 2928 1 -0.033 QD2 LEU 76 2939 1 -0.034 QD2 LEU 82 2944 2 -0.034 HG LEU 42 2951 1 -0.032 HG LEU 82 2954 1 -0.034 HB2 PHE 13 3004 1 -0.035 QD1 ILE 95 3035 1 -0.039 HG2 ARG+ 88 3073 1 -0.034 QD1 ILE 38 3106 1 -0.032 HA LEU 42 3110 1 -0.032 HA LEU 42 3161 1 -0.031 HG13 ILE 95 3177 1 -0.031 HG13 ILE 95 3186 1 -0.031 HG13 ILE 95 3214 2 -0.032 QD1 ILE 85 3239 1 -0.033 HA ILE 96 3244 1 -0.033 HA ILE 96 3284 1 -0.031 QG1 VAL 40 3302 1 -0.040 HD3 PRO 35 3320 1 -0.035 QD1 ILE 38 3324 1 0.139 HA SER 15 3325 1 -0.030 QG2 VAL 7 149 deviations larger than tolerance. ------------------------------------------------------------ Peak list : n15no Proton list: at1g16640 - peakcheck: read prot at1g16640 unknown=warn Chemical shift list "at1g16640.prot" read, 950 chemical shifts. - peakcheck: read peaks n15no *** WARNING: Assignment of peak 753 not found in chemical shift list. *** WARNING: Assignment of peak 767 not found in chemical shift list. *** WARNING: Assignment of peak 824 not found in chemical shift list. *** WARNING: Assignment of peak 847 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 897 not found in chemical shift list. *** WARNING: Assignment of peak 907 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 933 not found in chemical shift list. *** WARNING: Assignment of peak 934 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 998 not found in chemical shift list. *** WARNING: Assignment of peak 1012 not found in chemical shift list. *** WARNING: Assignment of peak 1030 not found in chemical shift list. *** WARNING: Assignment of peak 1031 not found in chemical shift list. *** WARNING: Assignment of peak 1039 not found in chemical shift list. *** WARNING: Assignment of peak 1040 not found in chemical shift list. *** WARNING: Assignment of peak 1061 not found in chemical shift list. *** WARNING: Assignment of peak 1118 not found in chemical shift list. *** WARNING: Assignment of peak 1121 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Assignment of peak 1137 not found in chemical shift list. *** WARNING: Assignment of peak 1161 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1288 not found in chemical shift list. *** WARNING: Assignment of peak 1295 not found in chemical shift list. *** WARNING: Assignment of peak 1341 not found in chemical shift list. *** WARNING: Assignment of peak 1355 not found in chemical shift list. *** WARNING: Assignment of peak 1402 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1515 not found in chemical shift list. *** WARNING: Assignment of peak 1651 not found in chemical shift list. *** WARNING: Assignment of peak 1662 not found in chemical shift list. *** WARNING: Assignment of peak 1663 not found in chemical shift list. *** WARNING: Assignment of peak 1699 not found in chemical shift list. Peak list "n15no.peaks" read, 1151 peaks, 791 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks QB GLU- 6 1.931 1.913 0.032 2 HB3 GLN 8 2.256 2.220 0.036 2 HB3 LYS+ 11 1.859 1.829 0.030 1 HA PRO 12 4.293 4.258 0.035 1 HA PHE 13 4.248 4.216 0.032 1 HG13 ILE 14 1.108 1.075 0.033 2 HA SER 15 3.857 3.986 0.140 4 HB3 GLU- 16 1.930 1.899 0.031 1 QG GLU- 16 2.290 2.255 0.042 2 HA LYS+ 17 4.567 4.544 0.030 4 HG2 LYS+ 17 1.371 1.347 0.031 2 HG3 LYS+ 17 1.494 1.473 0.042 4 QE LYS+ 17 2.957 2.946 0.039 2 HA SER 18 5.992 5.975 0.031 5 HB2 SER 18 4.515 4.495 0.034 3 HB3 SER 18 3.191 3.168 0.036 3 HB2 LYS+ 20 2.001 1.968 0.033 1 HB3 LYS+ 20 1.780 1.746 0.035 2 HA SER 21 4.964 4.928 0.036 3 HG LEU 22 0.803 0.776 0.034 2 HB2 GLU- 23 1.717 1.695 0.030 2 HG2 GLU- 23 1.530 1.495 0.035 1 QG2 ILE 24 0.619 0.592 0.042 2 HG13 ILE 24 0.817 0.784 0.033 1 QD1 ILE 24 0.341 0.307 0.034 3 QD1 LEU 26 0.922 0.895 0.034 4 HB2 PHE 28 2.823 2.782 0.041 1 QB ASN 29 2.927 2.886 0.041 3 HB2 TYR 31 2.831 2.797 0.034 1 HD3 PRO 33 3.676 3.640 0.036 1 HA ALA 34 4.735 4.704 0.031 1 HA PRO 37 4.693 4.662 0.031 1 HB ILE 38 2.039 2.005 0.041 2 HB3 LEU 42 1.220 1.189 0.036 3 HB2 LEU 43 1.669 1.628 0.041 1 QD2 LEU 43 0.862 0.836 0.033 2 HB2 ARG+ 48 1.734 1.702 0.032 1 HB3 ARG+ 48 0.951 0.917 0.034 1 HG3 ARG+ 48 1.157 1.125 0.032 1 QB SER 49 3.531 3.507 0.039 3 HB3 TRP 50 3.327 3.285 0.042 1 HA VAL 52 5.284 5.271 0.037 3 HA MET 54 5.441 5.403 0.038 3 HG3 MET 54 2.018 1.990 0.040 2 QE MET 54 1.204 1.179 0.031 2 QE LYS+ 55 2.964 2.927 0.037 1 HG2 LYS+ 56 1.054 1.016 0.038 1 HD2 LYS+ 56 1.287 1.257 0.030 1 HA GLU- 59 4.251 4.219 0.038 2 QG2 VAL 61 0.801 0.772 0.037 4 QG2 THR 64 0.987 0.974 0.031 4 HA1 GLY 66 5.077 5.049 0.034 2 HA2 GLY 66 4.033 3.997 0.036 2 HA ASN 69 4.482 4.466 0.040 7 HA PHE 70 2.440 2.423 0.041 3 QG1 VAL 71 0.331 0.319 0.036 4 HA LYS+ 72 4.000 3.973 0.039 3 HG2 LYS+ 72 1.559 1.521 0.038 1 HA ASP- 73 4.333 4.322 0.036 3 HB2 ASN 74 2.140 2.110 0.030 1 HA2 GLY 79 3.708 3.684 0.036 2 HA TYR 81 4.809 4.776 0.035 2 HB2 TYR 81 2.800 2.761 0.041 2 HB2 LEU 82 2.170 2.146 0.036 2 QD1 LEU 82 1.281 1.257 0.038 3 HA PHE 84 4.955 4.934 0.033 2 HA ILE 85 4.753 4.719 0.034 1 QG2 ILE 85 0.980 0.977 0.031 5 HG12 ILE 85 1.567 1.540 0.031 2 HA TYR 86 5.500 5.466 0.040 2 HB2 TYR 86 3.295 3.263 0.038 2 HA ASP- 89 4.920 4.887 0.033 1 QG2 THR 91 1.022 1.005 0.031 3 HA PHE 92 5.863 5.833 0.032 2 QG2 ILE 95 0.538 0.514 0.035 2 HG13 ILE 95 1.117 1.087 0.030 1 HA ILE 96 4.670 4.637 0.036 2 QG2 ILE 96 0.796 0.773 0.032 3 QD1 ILE 96 0.627 0.596 0.031 1 HB2 TYR 97 3.015 2.992 0.040 2 HB3 ASN 100 2.601 2.567 0.034 1 81 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 698 1 -0.032 QB GLU- 6 699 1 -0.031 QG2 ILE 85 725 1 -0.036 HB3 GLN 8 727 1 -0.031 HG12 ILE 85 733 1 -0.036 HB3 GLN 8 744 1 -0.034 HA ILE 85 779 1 -0.030 HB3 LYS+ 11 791 1 -0.035 HA TYR 81 792 1 -0.035 HA PRO 12 794 1 -0.036 HB2 TYR 81 805 1 -0.034 HB2 SER 18 806 1 -0.032 HA PHE 13 807 1 -0.036 HB3 SER 18 812 1 -0.033 HG13 ILE 14 823 1 0.122 HA SER 15 830 1 -0.033 HG13 ILE 14 846 1 0.122 HA SER 15 849 1 -0.042 QG GLU- 16 851 1 -0.031 HB3 GLU- 16 863 1 -0.039 QE LYS+ 17 877 1 -0.030 HA LYS+ 17 887 1 -0.031 HG2 LYS+ 17 892 1 -0.031 HA SER 18 894 1 -0.030 HA LYS+ 17 896 1 0.136 HA SER 15 901 1 -0.042 HG3 LYS+ 17 913 1 -0.035 HB3 LYS+ 20 920 1 -0.036 HA SER 21 926 1 -0.033 HB2 LYS+ 20 927 1 -0.034 HB3 LYS+ 20 936 1 -0.036 HA SER 21 948 1 -0.034 HG LEU 22 960 1 -0.030 HB2 GLU- 23 962 1 -0.038 QD1 LEU 82 973 1 -0.035 HG2 GLU- 23 976 1 -0.033 HG13 ILE 24 977 1 -0.042 QG2 ILE 24 985 1 -0.034 QD1 LEU 26 1005 1 -0.041 HB2 PHE 28 1009 1 -0.034 QD1 LEU 26 1016 1 -0.041 QB ASN 29 1022 1 -0.041 QB ASN 29 1024 1 -0.032 QG2 VAL 61 1026 1 -0.041 QB ASN 29 1035 1 -0.034 HB2 TYR 31 1044 1 -0.036 HD3 PRO 33 1056 1 -0.031 HA PRO 37 1063 1 -0.031 HA ALA 34 1075 1 -0.041 HB ILE 38 1115 1 -0.031 QG2 THR 91 1130 1 -0.036 HB3 LEU 42 1143 1 -0.041 HB2 LEU 43 1145 1 -0.033 QD2 LEU 43 1157 1 -0.032 HB2 ARG+ 48 1159 1 -0.032 HG3 ARG+ 48 1160 1 -0.034 HB3 ARG+ 48 1164 1 -0.039 QB SER 49 1173 1 -0.042 HB3 TRP 50 1199 1 -0.038 HA MET 54 1203 1 -0.031 QG2 THR 64 1204 1 -0.031 QE MET 54 1214 1 -0.038 HA MET 54 1221 1 -0.037 QG2 VAL 61 1231 1 -0.030 HD2 LYS+ 56 1234 1 -0.037 QE LYS+ 55 1246 1 -0.038 HG2 LYS+ 56 1249 1 -0.038 HA GLU- 59 1265 1 -0.034 QD1 ILE 24 1287 1 -0.034 HA1 GLY 66 1298 1 -0.034 QD1 ILE 24 1315 1 -0.040 HG3 MET 54 1327 1 -0.036 HA2 GLY 66 1333 1 -0.037 HA VAL 52 1364 1 -0.036 QG1 VAL 71 1368 1 -0.036 HA2 GLY 66 1375 1 -0.038 HG2 LYS+ 72 1422 1 -0.040 HA ASN 69 1426 1 -0.041 HA PHE 70 1438 1 -0.039 HA LYS+ 72 1457 1 -0.036 HA ASP- 73 1460 1 -0.030 HB2 ASN 74 1464 1 -0.031 QD1 ILE 96 1481 1 -0.034 HB3 ASN 100 1505 1 -0.033 HA PHE 84 1513 1 0.140 HA SER 15 1528 1 -0.036 HA2 GLY 79 1534 1 -0.031 HA TYR 81 1535 1 -0.036 HA ILE 96 1536 1 -0.040 HB2 TYR 97 1537 1 -0.041 HB2 TYR 81 1542 1 -0.032 QG2 ILE 96 1552 1 -0.036 HB2 LEU 82 1581 1 -0.032 HA PHE 92 1588 1 -0.040 HA TYR 86 1601 1 -0.038 HB2 TYR 86 1610 1 -0.033 HA ASP- 89 1658 1 -0.031 HB3 LEU 42 1681 1 -0.030 HG13 ILE 95 1683 1 -0.035 QG2 ILE 95 1700 1 -0.030 HA ILE 96 100 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13ar Proton list: at1g16640 - peakcheck: read prot at1g16640 unknown=warn Chemical shift list "at1g16640.prot" read, 950 chemical shifts. - peakcheck: read peaks c13ar *** WARNING: Assignment of peak 2 not found in chemical shift list. *** WARNING: Assignment of peak 3 not found in chemical shift list. *** WARNING: Assignment of peak 4 not found in chemical shift list. *** WARNING: Assignment of peak 5 not found in chemical shift list. *** WARNING: Assignment of peak 6 not found in chemical shift list. *** WARNING: Assignment of peak 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 32 not found in chemical shift list. *** WARNING: Assignment of peak 34 not found in chemical shift list. *** WARNING: Assignment of peak 35 not found in chemical shift list. *** WARNING: Assignment of peak 36 not found in chemical shift list. *** WARNING: Assignment of peak 37 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 50 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 53 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 65 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 76 not found in chemical shift list. *** WARNING: Assignment of peak 80 not found in chemical shift list. *** WARNING: Assignment of peak 83 not found in chemical shift list. *** WARNING: Assignment of peak 84 not found in chemical shift list. *** WARNING: Assignment of peak 85 not found in chemical shift list. *** WARNING: Assignment of peak 86 not found in chemical shift list. *** WARNING: Assignment of peak 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 92 not found in chemical shift list. *** WARNING: Assignment of peak 93 not found in chemical shift list. *** WARNING: Assignment of peak 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 105 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 120 not found in chemical shift list. *** WARNING: Assignment of peak 122 not found in chemical shift list. *** WARNING: Assignment of peak 124 not found in chemical shift list. *** WARNING: Assignment of peak 125 not found in chemical shift list. *** WARNING: Assignment of peak 126 not found in chemical shift list. *** WARNING: Assignment of peak 128 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 156 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 174 not found in chemical shift list. *** WARNING: Assignment of peak 179 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 195 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 198 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 201 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 221 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 235 not found in chemical shift list. *** WARNING: Assignment of peak 237 not found in chemical shift list. *** WARNING: Assignment of peak 238 not found in chemical shift list. *** WARNING: Assignment of peak 239 not found in chemical shift list. *** WARNING: Assignment of peak 240 not found in chemical shift list. *** WARNING: Assignment of peak 241 not found in chemical shift list. *** WARNING: Assignment of peak 242 not found in chemical shift list. *** WARNING: Assignment of peak 243 not found in chemical shift list. *** WARNING: Assignment of peak 245 not found in chemical shift list. *** WARNING: Assignment of peak 246 not found in chemical shift list. *** WARNING: Assignment of peak 248 not found in chemical shift list. *** WARNING: Assignment of peak 250 not found in chemical shift list. *** WARNING: Assignment of peak 256 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 261 not found in chemical shift list. *** WARNING: Assignment of peak 263 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 270 not found in chemical shift list. *** WARNING: Assignment of peak 271 not found in chemical shift list. *** WARNING: Assignment of peak 272 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. Peak list "c13ar.peaks" read, 293 peaks, 0 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks QG1 VAL 7 0.313 0.277 0.036 1 QG2 VAL 7 0.510 0.479 0.037 2 QE MET 10 1.839 1.801 0.038 1 HB2 SER 18 4.515 4.477 0.038 1 HB3 SER 18 3.191 3.157 0.034 1 QG2 ILE 24 0.619 0.585 0.037 2 HB2 PRO 25 2.243 2.205 0.038 1 HD3 PRO 25 1.832 1.801 0.039 3 HB2 TYR 31 2.831 2.799 0.032 1 HB3 TYR 31 1.938 1.897 0.041 1 HD2 PRO 33 4.234 4.208 0.030 2 QG2 VAL 40 0.854 0.824 0.030 1 HA LEU 42 5.375 5.334 0.041 1 HB3 LEU 42 1.220 1.187 0.033 1 QD1 LEU 42 0.625 0.603 0.038 4 HB3 LEU 43 1.162 1.130 0.032 1 HB3 SER 46 3.806 3.771 0.035 2 HA TRP 67 4.436 4.398 0.038 1 HB3 TRP 67 3.116 3.087 0.037 2 HA PHE 70 2.440 2.399 0.041 1 QG1 VAL 71 0.331 0.306 0.033 2 QD1 LEU 82 1.281 1.247 0.034 2 QD2 LEU 82 0.958 0.933 0.033 2 HB3 GLN 83 1.969 1.944 0.031 2 HB2 PHE 84 2.178 2.139 0.039 1 QG2 ILE 85 0.980 0.949 0.031 1 HB3 PHE 92 2.811 2.778 0.033 1 QG2 VAL 94 0.253 0.234 0.035 2 HG12 ILE 95 1.492 1.469 0.034 2 29 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 50 1 -0.041 HA PHE 70 72 1 -0.035 HB3 SER 46 80 1 -0.035 HB3 SER 46 84 1 -0.033 QG1 VAL 71 86 1 -0.037 HB3 TRP 67 101 1 -0.038 HA TRP 67 105 1 -0.038 QD1 LEU 42 107 1 -0.035 QG2 VAL 94 110 1 -0.034 QD1 LEU 82 113 1 -0.033 QD2 LEU 82 114 1 -0.034 QD1 LEU 82 122 1 -0.032 HB3 LEU 43 125 1 -0.031 QG2 ILE 85 139 1 -0.038 QE MET 10 153 1 -0.031 HB3 GLN 83 157 1 -0.041 HA LEU 42 160 1 -0.033 HB3 PHE 92 163 1 -0.033 HB3 LEU 42 165 1 -0.030 QG2 VAL 40 181 1 -0.034 HG12 ILE 95 204 1 -0.036 QG1 VAL 7 210 1 -0.032 HB2 TYR 31 212 1 -0.041 HB3 TYR 31 216 1 -0.037 QG2 VAL 7 227 1 -0.030 HD2 PRO 33 241 1 -0.030 QG2 ILE 24 246 1 -0.038 HB2 SER 18 248 1 -0.034 HB3 SER 18 271 1 -0.031 HD3 PRO 25 272 1 -0.039 HB2 PHE 84 279 1 -0.039 HD3 PRO 25 282 1 -0.037 QG2 ILE 24 284 1 -0.038 HB2 PRO 25 33 deviations larger than tolerance. - at1g16640: read prot ./at1g16640.prot Chemical shift list "./at1g16640.prot" read, 950 chemical shifts. - at1g16640: read peaks ./c13no.peaks assigned integrated *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1543 not found in chemical shift list. *** WARNING: Assignment of peak 1544 not found in chemical shift list. *** WARNING: Assignment of peak 1559 not found in chemical shift list. *** WARNING: Assignment of peak 1562 not found in chemical shift list. *** WARNING: Assignment of peak 1563 not found in chemical shift list. *** WARNING: Assignment of peak 1569 not found in chemical shift list. *** WARNING: Assignment of peak 1590 not found in chemical shift list. *** WARNING: Assignment of peak 1682 not found in chemical shift list. *** WARNING: Assignment of peak 1683 not found in chemical shift list. *** WARNING: Assignment of peak 1684 not found in chemical shift list. *** WARNING: Assignment of peak 1686 not found in chemical shift list. *** WARNING: Assignment of peak 1773 not found in chemical shift list. *** WARNING: Assignment of peak 1781 not found in chemical shift list. *** WARNING: Assignment of peak 1824 not found in chemical shift list. *** WARNING: Assignment of peak 1827 not found in chemical shift list. *** WARNING: Assignment of peak 1833 not found in chemical shift list. *** WARNING: Assignment of peak 1839 not found in chemical shift list. *** WARNING: Assignment of peak 1840 not found in chemical shift list. *** WARNING: Assignment of peak 1892 not found in chemical shift list. *** WARNING: Assignment of peak 1893 not found in chemical shift list. *** WARNING: Assignment of peak 1894 not found in chemical shift list. *** WARNING: Assignment of peak 1900 not found in chemical shift list. *** WARNING: Assignment of peak 1901 not found in chemical shift list. *** WARNING: Assignment of peak 1908 not found in chemical shift list. *** WARNING: Assignment of peak 1910 not found in chemical shift list. *** WARNING: Assignment of peak 1924 not found in chemical shift list. *** WARNING: Assignment of peak 1926 not found in chemical shift list. *** WARNING: Assignment of peak 1966 not found in chemical shift list. *** WARNING: Assignment of peak 1994 not found in chemical shift list. *** WARNING: Assignment of peak 2030 not found in chemical shift list. *** WARNING: Assignment of peak 2031 not found in chemical shift list. *** WARNING: Assignment of peak 2133 not found in chemical shift list. *** WARNING: Assignment of peak 2136 not found in chemical shift list. *** WARNING: Assignment of peak 2137 not found in chemical shift list. *** WARNING: Assignment of peak 2145 not found in chemical shift list. *** WARNING: Assignment of peak 2196 not found in chemical shift list. *** WARNING: Assignment of peak 2199 not found in chemical shift list. *** WARNING: Assignment of peak 2200 not found in chemical shift list. *** WARNING: Assignment of peak 2202 not found in chemical shift list. *** WARNING: Assignment of peak 2203 not found in chemical shift list. *** WARNING: Assignment of peak 2204 not found in chemical shift list. *** WARNING: Assignment of peak 2249 not found in chemical shift list. *** WARNING: Assignment of peak 2250 not found in chemical shift list. *** WARNING: Assignment of peak 2255 not found in chemical shift list. *** WARNING: Assignment of peak 2256 not found in chemical shift list. *** WARNING: Assignment of peak 2264 not found in chemical shift list. *** WARNING: Assignment of peak 2292 not found in chemical shift list. *** WARNING: Assignment of peak 2334 not found in chemical shift list. *** WARNING: Assignment of peak 2340 not found in chemical shift list. *** WARNING: Assignment of peak 2341 not found in chemical shift list. *** WARNING: Assignment of peak 2377 not found in chemical shift list. *** WARNING: Assignment of peak 2378 not found in chemical shift list. *** WARNING: Assignment of peak 2476 not found in chemical shift list. *** WARNING: Assignment of peak 2478 not found in chemical shift list. *** WARNING: Assignment of peak 2629 not found in chemical shift list. *** WARNING: Assignment of peak 2631 not found in chemical shift list. *** WARNING: Assignment of peak 2637 not found in chemical shift list. *** WARNING: Assignment of peak 2638 not found in chemical shift list. *** WARNING: Assignment of peak 2644 not found in chemical shift list. *** WARNING: Assignment of peak 2646 not found in chemical shift list. *** WARNING: Assignment of peak 2673 not found in chemical shift list. *** WARNING: Assignment of peak 2727 not found in chemical shift list. *** WARNING: Assignment of peak 2754 not found in chemical shift list. *** WARNING: Assignment of peak 2759 not found in chemical shift list. *** WARNING: Assignment of peak 2764 not found in chemical shift list. *** WARNING: Assignment of peak 2968 not found in chemical shift list. *** WARNING: Assignment of peak 2978 not found in chemical shift list. *** WARNING: Assignment of peak 2979 not found in chemical shift list. *** WARNING: Assignment of peak 2980 not found in chemical shift list. *** WARNING: Assignment of peak 2984 not found in chemical shift list. *** WARNING: Assignment of peak 2985 not found in chemical shift list. *** WARNING: Assignment of peak 2986 not found in chemical shift list. *** WARNING: Assignment of peak 2995 not found in chemical shift list. *** WARNING: Assignment of peak 2996 not found in chemical shift list. *** WARNING: Assignment of peak 2999 not found in chemical shift list. *** WARNING: Assignment of peak 3000 not found in chemical shift list. *** WARNING: Assignment of peak 3028 not found in chemical shift list. *** WARNING: Assignment of peak 3107 not found in chemical shift list. *** WARNING: Assignment of peak 3111 not found in chemical shift list. *** WARNING: Assignment of peak 3121 not found in chemical shift list. *** WARNING: Assignment of peak 3122 not found in chemical shift list. *** WARNING: Assignment of peak 3125 not found in chemical shift list. *** WARNING: Assignment of peak 3132 not found in chemical shift list. *** WARNING: Assignment of peak 3149 not found in chemical shift list. *** WARNING: Assignment of peak 3212 not found in chemical shift list. *** WARNING: Assignment of peak 3218 not found in chemical shift list. *** WARNING: Assignment of peak 3258 not found in chemical shift list. *** WARNING: Assignment of peak 3293 not found in chemical shift list. *** WARNING: Assignment of peak 3299 not found in chemical shift list. *** WARNING: Assignment of peak 3300 not found in chemical shift list. *** WARNING: Assignment of peak 3301 not found in chemical shift list. *** WARNING: Assignment of peak 3302 not found in chemical shift list. *** WARNING: Assignment of peak 3324 not found in chemical shift list. Peak list "./c13no.peaks" read, 2060 peaks, 2060 assignments. - at1g16640: peaks set volume=abs(volume) Volume of 2060 peaks set. - at1g16640: atom shift check Atom Residue Shift Median Deviation Peaks CB ALA 2 19.298 60.732 41.434 3 QG1 VAL 7 0.313 0.300 0.033 16 QG2 VAL 7 0.510 0.500 0.042 19 HB3 GLN 8 2.256 2.247 0.034 13 HA LYS+ 11 5.146 5.137 0.030 12 QD LYS+ 11 1.664 1.652 0.035 5 QD PRO 12 3.894 3.876 0.033 15 HB2 PHE 13 3.146 3.133 0.034 8 CA SER 15 59.347 62.900 3.553 5 HA SER 15 3.857 3.986 0.129 6 HA LYS+ 20 4.731 4.714 0.033 11 HB2 SER 21 3.897 3.886 0.038 8 HB3 LEU 22 -0.470 -0.479 0.041 19 HA ILE 24 3.428 3.418 0.032 15 QG2 ILE 24 0.619 0.601 0.035 19 QD1 ILE 24 0.341 0.330 0.041 19 HB3 PRO 25 1.745 1.732 0.032 8 HD3 PRO 25 1.832 1.821 0.038 13 HA GLU- 30 4.118 4.108 0.034 7 QB PHE 32 3.073 3.062 0.037 11 HG3 PRO 33 1.852 1.840 0.041 11 HA ALA 34 4.735 4.728 0.038 5 QB ALA 34 1.345 1.334 0.038 11 HB2 PRO 37 2.435 2.424 0.037 11 QD1 ILE 38 0.999 0.982 0.035 17 QG1 VAL 40 0.994 0.982 0.031 16 HA LEU 42 5.375 5.365 0.032 15 HB3 LEU 42 1.220 1.209 0.031 15 HG LEU 42 1.810 1.799 0.034 15 QD1 LEU 42 0.625 0.614 0.040 19 QD2 LEU 43 0.862 0.842 0.040 15 HN ASP- 44 8.000 8.026 0.035 5 HA ARG+ 48 4.065 4.050 0.036 14 HG3 ARG+ 48 1.157 1.146 0.032 15 QB SER 49 3.531 3.520 0.031 12 HB VAL 52 2.037 2.021 0.041 13 QG1 VAL 52 1.080 1.069 0.037 22 HG2 ARG+ 53 1.811 1.799 0.037 9 HA MET 54 5.441 5.425 0.038 16 HG3 MET 54 2.018 2.008 0.032 14 QE MET 54 1.204 1.192 0.036 25 HB2 LYS+ 55 1.761 1.751 0.035 10 QE LYS+ 55 2.964 2.953 0.039 9 HG2 LYS+ 56 1.054 1.043 0.042 8 HE2 LYS+ 56 2.565 2.548 0.031 19 HE3 LYS+ 56 2.383 2.359 0.035 12 QG GLU- 59 2.317 2.307 0.036 6 QG2 VAL 61 0.801 0.790 0.034 28 HA PHE 62 5.275 5.261 0.031 8 QB PHE 62 2.523 2.508 0.034 12 HB3 LEU 63 1.289 1.280 0.038 12 QD1 LEU 63 0.331 0.320 0.032 17 HA THR 64 4.783 4.771 0.033 8 QG2 THR 64 0.987 0.976 0.035 10 HA1 GLY 66 5.077 5.064 0.032 6 HA2 GLY 66 4.033 4.021 0.035 6 QB GLU- 68 2.201 2.190 0.033 13 HA ASN 69 4.482 4.466 0.042 7 HA VAL 71 2.622 2.611 0.031 12 HB VAL 71 1.918 1.905 0.035 10 QG2 VAL 71 0.764 0.753 0.031 19 HA LEU 76 3.523 3.508 0.032 13 HG LEU 76 0.994 0.983 0.032 10 QD1 LEU 76 0.415 0.403 0.041 18 QD2 LEU 76 0.427 0.415 0.041 17 QG LYS+ 80 1.593 1.581 0.038 9 HA TYR 81 4.809 4.793 0.033 7 HG LEU 82 1.786 1.775 0.032 13 QD1 LEU 82 1.281 1.269 0.042 21 QD2 LEU 82 0.958 0.946 0.034 20 HA GLN 83 5.119 5.106 0.040 12 QG2 ILE 85 0.980 0.964 0.030 14 QD1 ILE 85 0.890 0.879 0.032 11 HA ARG+ 88 3.032 3.018 0.039 11 HG2 ARG+ 88 1.374 1.364 0.039 13 QG2 THR 91 1.022 1.011 0.036 13 HB3 PHE 92 2.811 2.802 0.031 9 QG2 VAL 94 0.253 0.241 0.033 21 HG13 ILE 95 1.117 1.106 0.031 12 QD1 ILE 95 0.869 0.858 0.035 16 HA ILE 96 4.670 4.654 0.033 7 QG2 ILE 96 0.796 0.785 0.039 12 QD1 ILE 96 0.627 0.616 0.035 19 HA HIS 99 4.809 4.709 0.100 1 84 shifts with spread larger than tolerance. - at1g16640: caliba bb=4.0E+06 dmax=5.5 Calibration class: backbone 621 of 2060 peaks, 621 of 2060 assignments selected. Calibration function: 4.00E+06 * 1/d**6 520 upper limits added, 1 at lower, 7 at upper limit, average 4.00 A. Calibration class: side-chain 801 of 2060 peaks, 801 of 2060 assignments selected. 801 of 2060 peaks, 801 of 2060 assignments selected. Calibration function: 6.94E+05 * 1/d**4 585 upper limits added, 16 at lower, 146 at upper limit, average 4.78 A. Calibration class: methyl 638 of 2060 peaks, 638 of 2060 assignments selected. Calibration function: 2.31E+05 * 1/d**4 590 upper limits added, 10 at lower, 63 at upper limit, average 5.40 A. - at1g16640: write upl c13no_cal.upl Distance constraint file "c13no_cal.upl" written, 1695 upper limits, 1695 assignments. - at1g16640: distance delete 1695 distance constraints deleted. - at1g16640: read peaks ./n15no.peaks assigned integrated *** WARNING: Assignment of peak 753 not found in chemical shift list. *** WARNING: Assignment of peak 767 not found in chemical shift list. *** WARNING: Assignment of peak 824 not found in chemical shift list. *** WARNING: Assignment of peak 847 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 897 not found in chemical shift list. *** WARNING: Assignment of peak 907 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 933 not found in chemical shift list. *** WARNING: Assignment of peak 934 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 998 not found in chemical shift list. *** WARNING: Assignment of peak 1012 not found in chemical shift list. *** WARNING: Assignment of peak 1030 not found in chemical shift list. *** WARNING: Assignment of peak 1031 not found in chemical shift list. *** WARNING: Assignment of peak 1039 not found in chemical shift list. *** WARNING: Assignment of peak 1040 not found in chemical shift list. *** WARNING: Assignment of peak 1061 not found in chemical shift list. *** WARNING: Assignment of peak 1118 not found in chemical shift list. *** WARNING: Assignment of peak 1121 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Assignment of peak 1137 not found in chemical shift list. *** WARNING: Assignment of peak 1161 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1288 not found in chemical shift list. *** WARNING: Assignment of peak 1295 not found in chemical shift list. *** WARNING: Assignment of peak 1341 not found in chemical shift list. *** WARNING: Assignment of peak 1355 not found in chemical shift list. *** WARNING: Assignment of peak 1402 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1515 not found in chemical shift list. *** WARNING: Assignment of peak 1651 not found in chemical shift list. *** WARNING: Assignment of peak 1662 not found in chemical shift list. *** WARNING: Assignment of peak 1663 not found in chemical shift list. *** WARNING: Assignment of peak 1699 not found in chemical shift list. Peak list "./n15no.peaks" read, 791 peaks, 791 assignments. - at1g16640: peaks set volume=abs(volume) Volume of 791 peaks set. - at1g16640: atom shift check Atom Residue Shift Median Deviation Peaks QB GLU- 6 1.931 1.913 0.032 2 HB3 GLN 8 2.256 2.220 0.036 2 HB3 LYS+ 11 1.859 1.829 0.030 1 HA PRO 12 4.293 4.258 0.035 1 HA PHE 13 4.248 4.216 0.032 1 HG13 ILE 14 1.108 1.075 0.033 2 HA SER 15 3.857 3.986 0.140 4 HB3 GLU- 16 1.930 1.899 0.031 1 QG GLU- 16 2.290 2.255 0.042 2 HA LYS+ 17 4.567 4.544 0.030 4 HG2 LYS+ 17 1.371 1.347 0.031 2 HG3 LYS+ 17 1.494 1.473 0.042 4 QE LYS+ 17 2.957 2.946 0.039 2 HA SER 18 5.992 5.975 0.031 5 HB2 SER 18 4.515 4.495 0.034 3 HB3 SER 18 3.191 3.168 0.036 3 HB2 LYS+ 20 2.001 1.968 0.033 1 HB3 LYS+ 20 1.780 1.746 0.035 2 HA SER 21 4.964 4.928 0.036 3 HG LEU 22 0.803 0.776 0.034 2 HB2 GLU- 23 1.717 1.695 0.030 2 HG2 GLU- 23 1.530 1.495 0.035 1 QG2 ILE 24 0.619 0.592 0.042 2 HG13 ILE 24 0.817 0.784 0.033 1 QD1 ILE 24 0.341 0.307 0.034 3 QD1 LEU 26 0.922 0.895 0.034 4 HB2 PHE 28 2.823 2.782 0.041 1 QB ASN 29 2.927 2.886 0.041 3 HB2 TYR 31 2.831 2.797 0.034 1 HD3 PRO 33 3.676 3.640 0.036 1 HA ALA 34 4.735 4.704 0.031 1 HA PRO 37 4.693 4.662 0.031 1 HB ILE 38 2.039 2.005 0.041 2 HB3 LEU 42 1.220 1.189 0.036 3 HB2 LEU 43 1.669 1.628 0.041 1 QD2 LEU 43 0.862 0.836 0.033 2 HB2 ARG+ 48 1.734 1.702 0.032 1 HB3 ARG+ 48 0.951 0.917 0.034 1 HG3 ARG+ 48 1.157 1.125 0.032 1 QB SER 49 3.531 3.507 0.039 3 HB3 TRP 50 3.327 3.285 0.042 1 HA VAL 52 5.284 5.271 0.037 3 HA MET 54 5.441 5.403 0.038 3 HG3 MET 54 2.018 1.990 0.040 2 QE MET 54 1.204 1.179 0.031 2 QE LYS+ 55 2.964 2.927 0.037 1 HG2 LYS+ 56 1.054 1.016 0.038 1 HD2 LYS+ 56 1.287 1.257 0.030 1 HA GLU- 59 4.251 4.219 0.038 2 QG2 VAL 61 0.801 0.772 0.037 4 QG2 THR 64 0.987 0.974 0.031 4 HA1 GLY 66 5.077 5.049 0.034 2 HA2 GLY 66 4.033 3.997 0.036 2 HA ASN 69 4.482 4.466 0.040 7 HA PHE 70 2.440 2.423 0.041 3 QG1 VAL 71 0.331 0.319 0.036 4 HA LYS+ 72 4.000 3.973 0.039 3 HG2 LYS+ 72 1.559 1.521 0.038 1 HA ASP- 73 4.333 4.322 0.036 3 HB2 ASN 74 2.140 2.110 0.030 1 HA2 GLY 79 3.708 3.684 0.036 2 HA TYR 81 4.809 4.776 0.035 2 HB2 TYR 81 2.800 2.761 0.041 2 HB2 LEU 82 2.170 2.146 0.036 2 QD1 LEU 82 1.281 1.257 0.038 3 HA PHE 84 4.955 4.934 0.033 2 HA ILE 85 4.753 4.719 0.034 1 QG2 ILE 85 0.980 0.977 0.031 5 HG12 ILE 85 1.567 1.540 0.031 2 HA TYR 86 5.500 5.466 0.040 2 HB2 TYR 86 3.295 3.263 0.038 2 HA ASP- 89 4.920 4.887 0.033 1 QG2 THR 91 1.022 1.005 0.031 3 HA PHE 92 5.863 5.833 0.032 2 QG2 ILE 95 0.538 0.514 0.035 2 HG13 ILE 95 1.117 1.087 0.030 1 HA ILE 96 4.670 4.637 0.036 2 QG2 ILE 96 0.796 0.773 0.032 3 QD1 ILE 96 0.627 0.596 0.031 1 HB2 TYR 97 3.015 2.992 0.040 2 HB3 ASN 100 2.601 2.567 0.034 1 81 shifts with spread larger than tolerance. - at1g16640: caliba bb=5.0E+06 dmax=5.5 Calibration class: backbone 524 of 791 peaks, 524 of 791 assignments selected. Calibration function: 5.00E+06 * 1/d**6 433 upper limits added, 0 at lower, 0 at upper limit, average 3.81 A. Calibration class: side-chain 151 of 791 peaks, 151 of 791 assignments selected. 151 of 791 peaks, 151 of 791 assignments selected. Calibration function: 8.68E+05 * 1/d**4 138 upper limits added, 4 at lower, 38 at upper limit, average 4.98 A. Calibration class: methyl 116 of 791 peaks, 116 of 791 assignments selected. Calibration function: 2.89E+05 * 1/d**4 116 upper limits added, 0 at lower, 20 at upper limit, average 5.71 A. - at1g16640: write upl n15no_cal.upl Distance constraint file "n15no_cal.upl" written, 687 upper limits, 687 assignments. - at1g16640: distance delete 687 distance constraints deleted. - at1g16640: atom shift check Atom Residue Shift Median Deviation Peaks QB GLU- 6 1.931 1.913 0.032 2 HB3 GLN 8 2.256 2.220 0.036 2 HB3 LYS+ 11 1.859 1.829 0.030 1 HA PRO 12 4.293 4.258 0.035 1 HA PHE 13 4.248 4.216 0.032 1 HG13 ILE 14 1.108 1.075 0.033 2 HA SER 15 3.857 3.986 0.140 4 HB3 GLU- 16 1.930 1.899 0.031 1 QG GLU- 16 2.290 2.255 0.042 2 HA LYS+ 17 4.567 4.544 0.030 4 HG2 LYS+ 17 1.371 1.347 0.031 2 HG3 LYS+ 17 1.494 1.473 0.042 4 QE LYS+ 17 2.957 2.946 0.039 2 HA SER 18 5.992 5.975 0.031 5 HB2 SER 18 4.515 4.495 0.034 3 HB3 SER 18 3.191 3.168 0.036 3 HB2 LYS+ 20 2.001 1.968 0.033 1 HB3 LYS+ 20 1.780 1.746 0.035 2 HA SER 21 4.964 4.928 0.036 3 HG LEU 22 0.803 0.776 0.034 2 HB2 GLU- 23 1.717 1.695 0.030 2 HG2 GLU- 23 1.530 1.495 0.035 1 QG2 ILE 24 0.619 0.592 0.042 2 HG13 ILE 24 0.817 0.784 0.033 1 QD1 ILE 24 0.341 0.307 0.034 3 QD1 LEU 26 0.922 0.895 0.034 4 HB2 PHE 28 2.823 2.782 0.041 1 QB ASN 29 2.927 2.886 0.041 3 HB2 TYR 31 2.831 2.797 0.034 1 HD3 PRO 33 3.676 3.640 0.036 1 HA ALA 34 4.735 4.704 0.031 1 HA PRO 37 4.693 4.662 0.031 1 HB ILE 38 2.039 2.005 0.041 2 HB3 LEU 42 1.220 1.189 0.036 3 HB2 LEU 43 1.669 1.628 0.041 1 QD2 LEU 43 0.862 0.836 0.033 2 HB2 ARG+ 48 1.734 1.702 0.032 1 HB3 ARG+ 48 0.951 0.917 0.034 1 HG3 ARG+ 48 1.157 1.125 0.032 1 QB SER 49 3.531 3.507 0.039 3 HB3 TRP 50 3.327 3.285 0.042 1 HA VAL 52 5.284 5.271 0.037 3 HA MET 54 5.441 5.403 0.038 3 HG3 MET 54 2.018 1.990 0.040 2 QE MET 54 1.204 1.179 0.031 2 QE LYS+ 55 2.964 2.927 0.037 1 HG2 LYS+ 56 1.054 1.016 0.038 1 HD2 LYS+ 56 1.287 1.257 0.030 1 HA GLU- 59 4.251 4.219 0.038 2 QG2 VAL 61 0.801 0.772 0.037 4 QG2 THR 64 0.987 0.974 0.031 4 HA1 GLY 66 5.077 5.049 0.034 2 HA2 GLY 66 4.033 3.997 0.036 2 HA ASN 69 4.482 4.466 0.040 7 HA PHE 70 2.440 2.423 0.041 3 QG1 VAL 71 0.331 0.319 0.036 4 HA LYS+ 72 4.000 3.973 0.039 3 HG2 LYS+ 72 1.559 1.521 0.038 1 HA ASP- 73 4.333 4.322 0.036 3 HB2 ASN 74 2.140 2.110 0.030 1 HA2 GLY 79 3.708 3.684 0.036 2 HA TYR 81 4.809 4.776 0.035 2 HB2 TYR 81 2.800 2.761 0.041 2 HB2 LEU 82 2.170 2.146 0.036 2 QD1 LEU 82 1.281 1.257 0.038 3 HA PHE 84 4.955 4.934 0.033 2 HA ILE 85 4.753 4.719 0.034 1 QG2 ILE 85 0.980 0.977 0.031 5 HG12 ILE 85 1.567 1.540 0.031 2 HA TYR 86 5.500 5.466 0.040 2 HB2 TYR 86 3.295 3.263 0.038 2 HA ASP- 89 4.920 4.887 0.033 1 QG2 THR 91 1.022 1.005 0.031 3 HA PHE 92 5.863 5.833 0.032 2 QG2 ILE 95 0.538 0.514 0.035 2 HG13 ILE 95 1.117 1.087 0.030 1 HA ILE 96 4.670 4.637 0.036 2 QG2 ILE 96 0.796 0.773 0.032 3 QD1 ILE 96 0.627 0.596 0.031 1 HB2 TYR 97 3.015 2.992 0.040 2 HB3 ASN 100 2.601 2.567 0.034 1 81 shifts with spread larger than tolerance. - at1g16640: read peaks ./c13ar.peaks assigned integrated *** WARNING: Assignment of peak 2 not found in chemical shift list. *** WARNING: Assignment of peak 3 not found in chemical shift list. *** WARNING: Assignment of peak 4 not found in chemical shift list. *** WARNING: Assignment of peak 5 not found in chemical shift list. *** WARNING: Assignment of peak 6 not found in chemical shift list. *** WARNING: Assignment of peak 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 32 not found in chemical shift list. *** WARNING: Assignment of peak 34 not found in chemical shift list. *** WARNING: Assignment of peak 35 not found in chemical shift list. *** WARNING: Assignment of peak 36 not found in chemical shift list. *** WARNING: Assignment of peak 37 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 50 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 53 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 65 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 80 not found in chemical shift list. *** WARNING: Assignment of peak 83 not found in chemical shift list. *** WARNING: Assignment of peak 84 not found in chemical shift list. *** WARNING: Assignment of peak 85 not found in chemical shift list. *** WARNING: Assignment of peak 86 not found in chemical shift list. *** WARNING: Assignment of peak 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 92 not found in chemical shift list. *** WARNING: Assignment of peak 93 not found in chemical shift list. *** WARNING: Assignment of peak 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 105 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 120 not found in chemical shift list. *** WARNING: Assignment of peak 122 not found in chemical shift list. *** WARNING: Assignment of peak 124 not found in chemical shift list. *** WARNING: Assignment of peak 125 not found in chemical shift list. *** WARNING: Assignment of peak 126 not found in chemical shift list. *** WARNING: Assignment of peak 128 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 156 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 174 not found in chemical shift list. *** WARNING: Assignment of peak 179 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 195 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 198 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 201 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 221 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 235 not found in chemical shift list. *** WARNING: Assignment of peak 237 not found in chemical shift list. *** WARNING: Assignment of peak 238 not found in chemical shift list. *** WARNING: Assignment of peak 239 not found in chemical shift list. *** WARNING: Assignment of peak 240 not found in chemical shift list. *** WARNING: Assignment of peak 241 not found in chemical shift list. *** WARNING: Assignment of peak 242 not found in chemical shift list. *** WARNING: Assignment of peak 243 not found in chemical shift list. *** WARNING: Assignment of peak 245 not found in chemical shift list. *** WARNING: Assignment of peak 246 not found in chemical shift list. *** WARNING: Assignment of peak 248 not found in chemical shift list. *** WARNING: Assignment of peak 250 not found in chemical shift list. *** WARNING: Assignment of peak 256 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 261 not found in chemical shift list. *** WARNING: Assignment of peak 263 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 270 not found in chemical shift list. *** WARNING: Assignment of peak 271 not found in chemical shift list. *** WARNING: Assignment of peak 272 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. Peak list "./c13ar.peaks" read, 0 peaks, 0 assignments. - at1g16640: peaks set volume=abs(volume) No peaks selected. - at1g16640: caliba bb=2.0E+06 dmax=5.5 Calibration class: backbone 0 of 0 peaks, 0 of 0 assignments selected. Calibration function: 2.00E+06 * 1/d**6 0 upper limits added. Calibration class: side-chain 0 of 0 peaks, 0 of 0 assignments selected. 0 of 0 peaks, 0 of 0 assignments selected. Calibration function: 3.47E+05 * 1/d**4 0 upper limits added. Calibration class: methyl 0 of 0 peaks, 0 of 0 assignments selected. Calibration function: 1.16E+05 * 1/d**4 0 upper limits added. - at1g16640: write upl c13ar_cal.upl Distance constraint file "c13ar_cal.upl" written, 0 upper limits, 0 assignments. - at1g16640: distance delete 0 distance constraints deleted. - at1g16640: read upl c13no_cal.upl Distance constraint file "c13no_cal.upl" read, 1695 upper limits, 1695 assignments. - at1g16640: read upl n15no_cal.upl append Distance constraint file "n15no_cal.upl" read, 687 upper limits, 687 assignments. - at1g16640: read upl c13ar_cal.upl append Distance constraint file "c13ar_cal.upl" read, 0 upper limits, 0 assignments. - at1g16640: distance modify Number of modified constraints: 1103 - at1g16640: distance check Distance constraint Score Upper HA MET 10 - HA GLN 83 5.75 Upper HA ILE 14 - HA ASP- 78 6.00 Upper HA GLU- 68 - HN LYS+ 72 17.25 Upper HN ILE 14 - HB3 SER 18 9.75 Upper HA PRO 33 - HN ILE 38 5.25 Upper HA ASP- 41 - HA THR 51 3.00 Upper HA GLU- 23 - HA PHE 62 7.50 Upper QB GLU- 68 - HN LYS+ 72 17.25 Upper HN LEU 43 - HA TYR 93 11.75 Upper HB VAL 7 - HE ARG+ 90 2.00 Upper HB2 SER 21 - HA THR 64 5.50 Upper HB3 SER 21 - HA THR 64 5.50 Upper HB3 SER 21 - QB PHE 62 4.50 Upper HB2 SER 21 - QB PHE 62 4.50 Upper HB3 LEU 22 - HB3 LEU 63 12.75 Upper HB2 LEU 22 - HB3 LEU 63 12.75 Upper HB2 LEU 22 - HB2 LEU 63 12.75 Upper QE LYS+ 11 - HG LEU 22 7.00 Upper HD3 PRO 35 - HD3 LYS+ 56 4.00 Upper HD2 PRO 35 - HD3 LYS+ 56 4.00 Upper HD3 PRO 33 - HE2 LYS+ 56 11.50 Upper HG2 PRO 33 - HE2 LYS+ 56 11.50 Upper HG3 PRO 33 - HE2 LYS+ 56 11.50 Upper HG2 PRO 33 - HA LYS+ 55 11.50 Upper HB3 PRO 33 - HN ILE 38 5.25 Upper HG LEU 42 - HN VAL 94 15.75 Upper HG LEU 43 - QB SER 49 6.00 Upper HG3 MET 54 - HN LEU 63 17.25 Upper HA MET 54 - HG LEU 63 17.25 Upper HB3 LYS+ 55 - QB PHE 62 15.00 Upper HB2 LYS+ 55 - QB PHE 62 15.00 Upper HD2 PRO 33 - HE2 LYS+ 56 11.50 Upper HD2 PRO 33 - HE3 LYS+ 56 11.50 Upper HN ILE 24 - HB VAL 61 6.00 Upper HB3 LEU 22 - HB2 LEU 63 12.75 Upper QB GLU- 68 - QE LYS+ 72 17.25 Upper HA LYS+ 20 - QB GLU- 68 3.00 Upper HG3 GLU- 68 - HG3 LYS+ 72 17.25 Upper HA LYS+ 20 - HG3 GLU- 68 3.00 Upper HG2 GLU- 68 - HG3 LYS+ 72 17.25 Upper HA LYS+ 20 - HG2 GLU- 68 3.00 Upper HA VAL 71 - HG LEU 76 7.75 Upper HA LEU 42 - HB3 PHE 92 14.50 Upper HA LEU 42 - HB2 PHE 92 14.50 Upper HB ILE 85 - HB3 TYR 93 4.00 Upper HB ILE 85 - HB2 TYR 93 4.00 Upper HG LEU 43 - HA TYR 93 11.75 Upper HB3 GLN 83 - HB ILE 95 9.50 Upper HB2 GLN 83 - HB ILE 95 9.50 Upper HN LEU 76 - HB2 ASN 100 3.00 Upper HG3 PRO 33 - HA LYS+ 55 11.50 Upper QG2 VAL 52 - HA2 GLY 66 10.50 Upper QG2 VAL 7 - HG2 ARG+ 88 11.50 Upper QG2 VAL 7 - HG3 ARG+ 88 11.50 Upper HA GLN 8 - QG2 ILE 85 16.00 Upper HB2 GLN 8 - QG2 ILE 85 16.00 Upper QG2 VAL 7 - HB3 TYR 86 12.25 Upper QG1 VAL 7 - HB3 TYR 86 12.25 Upper QG2 VAL 7 - HE ARG+ 90 2.00 Upper QG1 VAL 7 - HE ARG+ 90 2.00 Upper QG GLN 8 - QG2 ILE 85 16.00 Upper QE MET 10 - HA GLN 83 5.75 Upper HB3 GLN 8 - QG2 ILE 85 16.00 Upper QG2 ILE 14 - QB ASP- 78 6.00 Upper QD1 ILE 14 - QB ASP- 78 6.00 Upper QD1 ILE 14 - HN GLY 79 3.25 Upper QD1 LEU 22 - QD1 LEU 82 4.50 Upper QD LYS+ 11 - QD1 LEU 22 7.00 Upper QE LYS+ 11 - QD1 LEU 22 7.00 Upper QD LYS+ 11 - QD2 LEU 22 7.00 Upper QE LYS+ 11 - QD2 LEU 22 7.00 Upper QG2 ILE 24 - HB2 PHE 28 6.00 Upper QG2 ILE 24 - HN PHE 28 6.00 Upper QD1 ILE 24 - HN LEU 63 2.50 Upper QD1 LEU 26 - HB2 GLU- 59 8.00 Upper QD1 LEU 26 - HN LYS+ 60 8.00 Upper QG2 ILE 24 - HB3 PHE 28 6.00 Upper QG2 VAL 7 - HB2 TYR 31 4.00 Upper QG1 VAL 7 - HB2 TYR 31 4.00 Upper HB2 PRO 33 - QE MET 54 8.50 Upper HB2 PRO 33 - QG1 VAL 40 10.50 Upper HB3 PRO 33 - QE MET 54 8.50 Upper HB3 PRO 33 - QG1 VAL 40 10.50 Upper HG2 PRO 33 - QG1 VAL 40 10.50 Upper HG3 PRO 33 - QG1 VAL 40 10.50 Upper HB2 ASP- 41 - QG2 THR 91 8.25 Upper HB3 ASP- 41 - QG2 THR 91 8.25 Upper HB2 LEU 42 - QG2 VAL 94 15.75 Upper QD1 LEU 42 - QD1 LEU 76 5.00 Upper QD1 LEU 42 - QG2 VAL 94 15.75 Upper QD1 LEU 42 - QG1 VAL 52 7.00 Upper QD2 LEU 42 - QG2 VAL 94 15.75 Upper QD2 LEU 42 - QD1 LEU 76 5.00 Upper QD2 LEU 42 - QG2 VAL 52 7.00 Upper QD2 LEU 42 - HB3 PHE 92 14.50 Upper QD2 LEU 42 - HB2 PHE 92 14.50 Upper QD1 LEU 42 - HB2 PHE 92 14.50 Upper QD1 LEU 43 - QB SER 49 6.00 Upper QD2 LEU 43 - QB SER 49 6.00 Upper QD1 LEU 43 - HN TRP 50 4.75 Upper QG1 VAL 7 - HD3 ARG+ 88 11.50 Upper QG2 VAL 7 - HD3 ARG+ 88 11.50 Upper HA ASP- 41 - QG2 THR 51 3.00 Upper QG2 VAL 52 - HN TRP 67 13.50 Upper QG2 VAL 52 - HA1 GLY 66 10.50 Upper QG2 VAL 52 - QD1 LEU 63 12.50 Upper QD1 LEU 42 - QG2 VAL 52 7.00 Upper QG2 VAL 52 - HB3 TRP 67 13.50 Upper QG2 VAL 52 - HB2 TRP 67 13.50 Upper QG2 VAL 52 - HA TRP 67 13.50 Upper QG1 VAL 52 - HA TRP 67 13.50 Upper QG1 VAL 52 - HB2 TRP 67 13.50 Upper QG1 VAL 52 - HB3 TRP 67 13.50 Upper QG1 VAL 52 - QD1 LEU 63 12.50 Upper QG1 VAL 52 - QD2 LEU 63 12.50 Upper HB VAL 52 - QD1 LEU 63 12.50 Upper HB VAL 52 - QD2 LEU 63 12.50 Upper HG3 PRO 33 - QE MET 54 8.50 Upper HG2 PRO 33 - QE MET 54 8.50 Upper QB PHE 32 - QE MET 54 5.25 Upper HA PRO 33 - QE MET 54 8.50 Upper HA PHE 32 - QE MET 54 5.25 Upper HA MET 54 - QG2 THR 64 13.00 Upper HG2 MET 54 - QD2 LEU 63 17.25 Upper HG2 MET 54 - QG1 VAL 61 11.50 Upper QE MET 54 - HN PHE 62 14.00 Upper HD3 LYS+ 56 - QG2 VAL 61 17.25 Upper HD2 LYS+ 56 - QG2 VAL 61 17.25 Upper QD2 LEU 26 - HB3 GLU- 59 8.00 Upper QD2 LEU 26 - HB2 GLU- 59 8.00 Upper QD1 ILE 24 - QG2 VAL 61 6.00 Upper QD1 ILE 24 - QG1 VAL 61 6.00 Upper QE MET 54 - QG1 VAL 61 11.50 Upper QE MET 54 - QG2 VAL 61 11.50 Upper HG3 MET 54 - QG2 VAL 61 11.50 Upper HE3 LYS+ 56 - QG2 VAL 61 17.25 Upper HE2 LYS+ 56 - QG2 VAL 61 17.25 Upper HA LYS+ 56 - QG2 VAL 61 17.25 Upper HG3 MET 54 - QG1 VAL 61 11.50 Upper HA LYS+ 56 - QG1 VAL 61 17.25 Upper HD22 ASN 29 - QG2 VAL 61 5.00 Upper HN LYS+ 55 - QG1 VAL 61 17.25 Upper HG3 MET 54 - QD1 LEU 63 17.25 Upper HG3 MET 54 - QD2 LEU 63 17.25 Upper HN MET 54 - QG2 THR 64 13.00 Upper HN ARG+ 53 - QG2 THR 64 10.25 Upper HN LYS+ 55 - QG2 THR 64 9.50 Upper QG1 VAL 71 - QD2 LEU 82 5.00 Upper HB3 ASN 74 - QD1 ILE 96 4.00 Upper QD2 LEU 76 - QD2 LEU 82 5.00 Upper QD2 LEU 76 - QD1 ILE 96 5.00 Upper QD2 LEU 76 - QD1 LEU 82 5.00 Upper QD1 LEU 76 - QD1 ILE 96 5.00 Upper QD1 LEU 76 - QD1 LEU 82 5.00 Upper QG LYS+ 80 - QG2 ILE 96 2.50 Upper HB2 LEU 82 - QG2 VAL 94 7.00 Upper HB3 LEU 82 - QG2 VAL 94 7.00 Upper QG1 VAL 71 - QD1 LEU 82 5.00 Upper QD2 LEU 22 - QD1 LEU 82 4.50 Upper HB3 PHE 13 - QD1 LEU 82 10.50 Upper HB2 PHE 13 - QD1 LEU 82 10.50 Upper QD1 LEU 76 - QD2 LEU 82 5.00 Upper HN LYS+ 11 - QD1 LEU 82 4.75 Upper HN PHE 13 - QD2 LEU 82 10.50 Upper HN LYS+ 11 - QD2 LEU 82 4.75 Upper QD1 ILE 38 - HA ARG+ 90 3.00 Upper QD1 ILE 38 - HB2 ARG+ 90 3.00 Upper HG LEU 43 - QG2 THR 91 5.75 Upper HN ASP- 41 - QG2 THR 91 8.25 Upper HN LEU 43 - QG2 THR 91 5.75 Upper HB3 LEU 42 - QG2 VAL 94 15.75 Upper QG1 VAL 7 - HG3 ARG+ 88 11.50 Upper QD2 LEU 82 - QD1 ILE 96 6.50 Upper QD1 LEU 82 - QD1 ILE 96 6.50 Upper HB2 ASN 74 - QD1 ILE 96 4.00 Upper HA ASN 74 - QD1 ILE 96 4.00 Upper HA LYS+ 80 - QG2 ILE 96 2.50 Upper QG2 VAL 7 - HD2 ARG+ 88 11.50 Upper QG1 VAL 7 - HD2 ARG+ 88 11.50 Upper QD1 ILE 38 - HB3 ARG+ 90 3.00 Upper HN VAL 7 - HN TYR 86 12.25 Upper HN GLN 8 - HN TYR 86 12.50 Upper HN PHE 9 - HN PHE 84 9.00 Upper HN PHE 9 - HN ILE 85 9.75 Upper HN PHE 9 - HA ILE 85 9.75 Upper HN LEU 43 - HN PHE 92 9.50 Upper HN PHE 13 - HA TYR 81 7.00 Upper HN ILE 14 - HN SER 18 9.75 Upper HN ILE 14 - HB2 SER 18 9.75 Upper HN ASP- 41 - HA THR 91 8.25 Upper HA SER 15 - HN SER 19 3.25 Upper HN SER 21 - HA GLU- 68 3.25 Upper HN LEU 22 - HN LEU 63 12.75 Upper HN LEU 22 - HA PHE 62 7.50 Upper HN LEU 22 - HA THR 64 7.00 Upper HN ILE 24 - HN PHE 62 6.25 Upper HN ILE 24 - HA PHE 62 6.25 Upper QB PHE 32 - HN PHE 36 3.50 Upper HN LEU 43 - HN VAL 94 11.25 Upper HN ASP- 44 - HN VAL 94 2.25 Upper HN LYS+ 55 - HN THR 64 9.50 Upper HN LYS+ 55 - HA THR 64 9.50 Upper HN LYS+ 55 - HN PHE 62 15.00 Upper HN ASP- 41 - HN PHE 92 8.50 Upper HA GLU- 23 - HN LEU 63 7.75 Upper HA MET 54 - HN THR 64 13.00 Upper HA ARG+ 53 - HN THR 64 10.25 Upper HA VAL 52 - HN TRP 67 13.50 Upper HA ASN 69 - HN ASP- 73 5.00 Upper HN ILE 14 - HN ASP- 78 6.00 Upper HN SER 15 - HN ASP- 78 4.75 Upper HN TYR 81 - HN TYR 97 3.50 Upper HA SER 15 - HN ASP- 78 4.75 Upper HN TYR 81 - HA ILE 96 5.00 Upper HN LYS+ 11 - HN LEU 82 4.75 Upper HN PHE 13 - HN TYR 81 7.00 Upper HN GLN 83 - HN ILE 95 9.50 Upper HA MET 10 - HN PHE 84 5.25 Upper HA GLN 8 - HN TYR 86 12.50 Upper HN PHE 9 - HB2 PHE 84 9.00 Upper HN PHE 9 - HB3 PHE 84 9.00 Upper HN SER 15 - QB ASP- 78 4.75 Upper HN LEU 22 - HB2 LEU 63 12.75 Upper HN LEU 22 - HB3 LEU 63 12.75 Upper HB2 PRO 33 - HN ILE 38 5.25 Upper HN ASP- 44 - QB SER 49 3.25 Upper HE1 TRP 50 - HA ASP- 73 1.00 Upper HE1 TRP 50 - HA PHE 70 0.50 Upper HN LYS+ 55 - QB PHE 62 15.00 Upper HN SER 21 - HE1 TRP 67 3.75 Upper HG2 MET 54 - HN LEU 63 17.25 Upper HA SER 18 - HE1 TRP 67 3.00 Upper HB2 SER 18 - HE1 TRP 67 3.00 Upper HA SER 21 - HE1 TRP 67 3.75 Upper HB3 SER 18 - HE1 TRP 67 3.00 Upper HN LEU 76 - HB3 ASN 100 3.00 Upper QB MET 10 - HN PHE 84 5.25 Upper QG GLN 8 - HN TYR 86 12.50 Upper HB ILE 85 - HN TYR 93 4.00 Upper HG LEU 42 - HN TYR 93 16.00 Upper HE1 TRP 50 - HN ASP- 73 1.00 Upper HN VAL 7 - QG2 ILE 85 10.25 Upper HE21 GLN 8 - QD1 ILE 85 16.00 Upper HE21 GLN 8 - QG2 ILE 85 16.00 Upper HE22 GLN 8 - QD1 ILE 85 16.00 Upper HE22 GLN 8 - QG2 ILE 85 16.00 Upper HN PHE 13 - QD1 LEU 82 10.50 Upper QG2 ILE 14 - HN SER 18 9.75 Upper HD21 ASN 29 - QG2 VAL 61 5.00 Upper HN LEU 42 - QG2 THR 91 9.75 Upper QD2 LEU 43 - HN TRP 50 4.75 Upper HN LYS+ 55 - QG2 VAL 61 17.25 Upper QD1 ILE 24 - HN PHE 62 6.25 Upper QD2 LEU 26 - HN LYS+ 60 8.00 Upper QG1 VAL 52 - HN TRP 67 13.50 Upper HE1 TRP 67 - QG2 VAL 71 9.25 Upper HE1 TRP 67 - QG1 VAL 71 9.25 Upper HN ASN 74 - QD1 ILE 96 4.00 Upper QG2 ILE 14 - HN ASP- 78 6.00 Upper HN TYR 81 - QG2 ILE 96 5.00 Upper HN GLN 83 - QD1 ILE 95 9.50 Upper QD1 ILE 38 - HE ARG+ 90 3.00 Upper HN VAL 7 - QB TYR 86 12.25 Upper HN VAL 7 - QD ARG+ 88 11.50 Upper QQG VAL 7 - QB TYR 31 4.00 Upper QG1 VAL 7 - HB3 TYR 31 4.00 Upper QG2 VAL 7 - HB3 TYR 31 4.00 Upper QQG VAL 7 - HN TYR 86 12.25 Upper QQG VAL 7 - QB TYR 86 12.25 Upper QG1 VAL 7 - HB2 TYR 86 12.25 Upper QG2 VAL 7 - HB2 TYR 86 12.25 Upper QQG VAL 7 - HN ASP- 87 10.75 Upper QQG VAL 7 - HA ARG+ 88 11.50 Upper QQG VAL 7 - QG ARG+ 88 11.50 Upper QG1 VAL 7 - HG2 ARG+ 88 11.50 Upper QQG VAL 7 - QD ARG+ 88 11.50 Upper QB GLN 8 - HA ILE 85 16.00 Upper QB GLN 8 - QG2 ILE 85 16.00 Upper QE2 GLN 8 - QG1 ILE 85 16.00 Upper HN PHE 9 - QE2 GLN 83 4.00 Upper HN PHE 9 - QB PHE 84 9.00 Upper QG MET 10 - HA GLN 83 5.75 Upper HN LYS+ 11 - QQD LEU 22 7.00 Upper HN LYS+ 11 - QB LEU 82 4.75 Upper QB LYS+ 11 - QQD LEU 82 4.75 Upper QD LYS+ 11 - QQD LEU 22 7.00 Upper QE LYS+ 11 - QQD LEU 22 7.00 Upper HN PHE 13 - QB TYR 81 7.00 Upper HN PHE 13 - QQD LEU 82 10.50 Upper HA PHE 13 - QQD LEU 82 10.50 Upper QB PHE 13 - HG LEU 82 10.50 Upper QB PHE 13 - QQD LEU 82 10.50 Upper HB2 PHE 13 - QD2 LEU 82 10.50 Upper HB3 PHE 13 - QD2 LEU 82 10.50 Upper HN ILE 14 - QB SER 18 9.75 Upper QB SER 18 - HE1 TRP 67 3.00 Upper HN SER 19 - QQG VAL 71 1.00 Upper HA SER 19 - QQG VAL 71 1.00 Upper HN SER 21 - QB LEU 63 8.00 Upper QB SER 21 - HA THR 64 5.50 Upper HN LEU 22 - QB LEU 63 12.75 Upper HN LEU 22 - QQD LEU 63 12.75 Upper HN LEU 22 - QB TRP 67 3.25 Upper QB LEU 22 - QQD LEU 63 12.75 Upper QB LEU 22 - HE1 TRP 67 3.25 Upper QQD LEU 22 - HE1 TRP 67 3.25 Upper QQD LEU 22 - QQD LEU 82 4.50 Upper QD1 LEU 22 - QD2 LEU 82 4.50 Upper QD2 LEU 22 - QD2 LEU 82 4.50 Upper HN GLU- 23 - QQD LEU 82 2.50 Upper QB GLU- 23 - QB PHE 62 7.50 Upper QG2 ILE 24 - QB PHE 28 6.00 Upper QG1 ILE 24 - QQG VAL 61 6.00 Upper QD1 ILE 24 - QQG VAL 61 6.00 Upper QB PRO 25 - HN ASN 29 8.50 Upper HG LEU 26 - QE LYS+ 60 8.00 Upper QQD LEU 26 - QB GLU- 59 8.00 Upper QD1 LEU 26 - HB3 GLU- 59 8.00 Upper QQD LEU 26 - QG GLU- 59 8.00 Upper QQD LEU 26 - HN LYS+ 60 8.00 Upper QQD LEU 26 - HA LYS+ 60 8.00 Upper QQD LEU 26 - QE LYS+ 60 8.00 Upper QB ASN 29 - QQG VAL 61 5.00 Upper QD2 ASN 29 - QQG VAL 61 5.00 Upper HD21 ASN 29 - QG1 VAL 61 5.00 Upper HD22 ASN 29 - QG1 VAL 61 5.00 Upper QB PRO 33 - HN ILE 38 5.25 Upper QB PRO 33 - HN THR 39 7.50 Upper QB PRO 33 - QQG VAL 40 10.50 Upper HB2 PRO 33 - QG2 VAL 40 10.50 Upper HB3 PRO 33 - QG2 VAL 40 10.50 Upper QB PRO 33 - QE MET 54 8.50 Upper QB PRO 33 - QE LYS+ 56 11.50 Upper QG PRO 33 - QQG VAL 40 10.50 Upper HG2 PRO 33 - QG2 VAL 40 10.50 Upper HG3 PRO 33 - QG2 VAL 40 10.50 Upper QG PRO 33 - QE MET 54 8.50 Upper QG PRO 33 - HA LYS+ 55 11.50 Upper QG PRO 33 - QE LYS+ 56 11.50 Upper HG2 PRO 33 - HE3 LYS+ 56 11.50 Upper HG3 PRO 33 - HE3 LYS+ 56 11.50 Upper QD PRO 33 - QQG VAL 40 10.50 Upper QD PRO 33 - QE LYS+ 56 11.50 Upper HD3 PRO 33 - HE3 LYS+ 56 11.50 Upper QD PRO 35 - QD LYS+ 56 4.00 Upper HD2 PRO 35 - HD2 LYS+ 56 4.00 Upper HD3 PRO 35 - HD2 LYS+ 56 4.00 Upper QQG VAL 40 - HN VAL 52 1.50 Upper QQG VAL 40 - QB ARG+ 53 1.50 Upper QQG VAL 40 - QG ARG+ 53 1.50 Upper QB ASP- 41 - HA THR 91 8.25 Upper QB ASP- 41 - QG2 THR 91 8.25 Upper HN LEU 42 - QB PHE 92 14.50 Upper QB LEU 42 - HN TYR 93 16.00 Upper QB LEU 42 - QQG VAL 94 15.75 Upper HB2 LEU 42 - QG1 VAL 94 15.75 Upper HB3 LEU 42 - QG1 VAL 94 15.75 Upper HG LEU 42 - QQG VAL 52 7.00 Upper HG LEU 42 - QQD LEU 76 5.00 Upper HG LEU 42 - QQG VAL 94 15.75 Upper QQD LEU 42 - HB VAL 52 7.00 Upper QQD LEU 42 - QQG VAL 52 7.00 Upper QD2 LEU 42 - QG1 VAL 52 7.00 Upper QQD LEU 42 - QQD LEU 76 5.00 Upper QD1 LEU 42 - QD2 LEU 76 5.00 Upper QD2 LEU 42 - QD2 LEU 76 5.00 Upper QQD LEU 42 - HN PHE 92 14.50 Upper QQD LEU 42 - QB PHE 92 14.50 Upper QD1 LEU 42 - HB3 PHE 92 14.50 Upper QQD LEU 42 - HN TYR 93 16.00 Upper QQD LEU 42 - HN VAL 94 15.75 Upper QQD LEU 42 - QQG VAL 94 15.75 Upper QD1 LEU 42 - QG1 VAL 94 15.75 Upper QD2 LEU 42 - QG1 VAL 94 15.75 Upper HN LEU 43 - QQG VAL 52 3.50 Upper HN LEU 43 - QB PHE 92 9.50 Upper HN LEU 43 - QQG VAL 94 11.25 Upper QB LEU 43 - HA TYR 93 11.75 Upper QB LEU 43 - HN VAL 94 11.25 Upper QQD LEU 43 - HA SER 49 6.00 Upper QQD LEU 43 - QB SER 49 6.00 Upper QQD LEU 43 - HN TRP 50 4.75 Upper QQD LEU 43 - QG2 THR 91 5.75 Upper HE1 TRP 50 - QB ASN 69 0.50 Upper HA VAL 52 - QQD LEU 63 12.50 Upper HB VAL 52 - QQD LEU 63 12.50 Upper QQG VAL 52 - HA LEU 63 12.50 Upper QQG VAL 52 - QB LEU 63 12.50 Upper QQG VAL 52 - HG LEU 63 12.50 Upper QQG VAL 52 - QQD LEU 63 12.50 Upper QG2 VAL 52 - QD2 LEU 63 12.50 Upper QQG VAL 52 - HA THR 64 7.75 Upper QQG VAL 52 - HN VAL 65 3.50 Upper QQG VAL 52 - QA GLY 66 10.50 Upper QG1 VAL 52 - HA1 GLY 66 10.50 Upper QG1 VAL 52 - HA2 GLY 66 10.50 Upper QQG VAL 52 - HN TRP 67 13.50 Upper QQG VAL 52 - HA TRP 67 13.50 Upper QQG VAL 52 - QB TRP 67 13.50 Upper QG ARG+ 53 - QQD LEU 63 14.50 Upper HN MET 54 - QQD LEU 63 17.25 Upper HA MET 54 - QQD LEU 63 17.25 Upper QB MET 54 - QQG VAL 61 11.50 Upper QG MET 54 - QQG VAL 61 11.50 Upper HG2 MET 54 - QG2 VAL 61 11.50 Upper QG MET 54 - HN LEU 63 17.25 Upper QG MET 54 - QQD LEU 63 17.25 Upper HG2 MET 54 - QD1 LEU 63 17.25 Upper QG MET 54 - HN THR 64 13.00 Upper QE MET 54 - QQG VAL 61 11.50 Upper QE MET 54 - QQD LEU 63 17.25 Upper HN LYS+ 55 - QQG VAL 61 17.25 Upper HN LYS+ 55 - QQD LEU 63 11.75 Upper HA LYS+ 55 - QQG VAL 61 17.25 Upper QB LYS+ 55 - QG2 THR 64 9.50 Upper QD LYS+ 55 - QG2 THR 64 9.50 Upper HN LYS+ 56 - QQG VAL 61 17.25 Upper HA LYS+ 56 - QQG VAL 61 17.25 Upper QB LYS+ 56 - QQG VAL 61 17.25 Upper QD LYS+ 56 - QQG VAL 61 17.25 Upper HD2 LYS+ 56 - QG1 VAL 61 17.25 Upper HD3 LYS+ 56 - QG1 VAL 61 17.25 Upper QE LYS+ 56 - QQG VAL 61 17.25 Upper HE2 LYS+ 56 - QG1 VAL 61 17.25 Upper HE3 LYS+ 56 - QG1 VAL 61 17.25 Upper HE1 TRP 67 - QQG VAL 71 9.25 Upper QB GLU- 68 - QG LYS+ 72 17.25 Upper QG GLU- 68 - HN LYS+ 72 17.25 Upper QG GLU- 68 - QG LYS+ 72 17.25 Upper HG2 GLU- 68 - HG2 LYS+ 72 17.25 Upper HG3 GLU- 68 - HG2 LYS+ 72 17.25 Upper QG GLU- 68 - QE LYS+ 72 17.25 Upper HA VAL 71 - QB LEU 76 7.75 Upper HA VAL 71 - QQD LEU 76 7.75 Upper HA VAL 71 - QQD LEU 82 5.00 Upper QQG VAL 71 - HN ASN 75 4.50 Upper QQG VAL 71 - HN LEU 76 7.75 Upper QQG VAL 71 - HA LEU 76 7.75 Upper QQG VAL 71 - QB LEU 76 7.75 Upper QQG VAL 71 - QQD LEU 76 7.75 Upper QQG VAL 71 - HN GLU- 77 3.75 Upper QQG VAL 71 - QQD LEU 82 5.00 Upper QG2 VAL 71 - QD1 LEU 82 5.00 Upper QG2 VAL 71 - QD2 LEU 82 5.00 Upper HN LYS+ 72 - QQD LEU 76 4.75 Upper QB ASN 74 - QD1 ILE 96 4.00 Upper HN LEU 76 - QB ASN 100 3.00 Upper QQD LEU 76 - QG LYS+ 80 1.50 Upper QQD LEU 76 - HG LEU 82 5.00 Upper QQD LEU 76 - QQD LEU 82 5.00 Upper QQD LEU 76 - HB ILE 96 5.00 Upper QQD LEU 76 - QG2 ILE 96 5.00 Upper QQD LEU 76 - QG1 ILE 96 5.00 Upper QQD LEU 76 - QD1 ILE 96 5.00 Upper QQD LEU 76 - QB ASN 100 3.00 Upper HN TYR 81 - QB TYR 97 3.50 Upper QB LEU 82 - QQG VAL 94 7.00 Upper HB2 LEU 82 - QG1 VAL 94 7.00 Upper HB3 LEU 82 - QG1 VAL 94 7.00 Upper QQD LEU 82 - QQG VAL 94 7.00 Upper QQD LEU 82 - QG1 ILE 96 6.50 Upper QQD LEU 82 - QD1 ILE 96 6.50 Upper QB GLN 83 - HB ILE 95 9.50 Upper QB GLN 83 - QG2 ILE 95 9.50 Upper QG GLN 83 - HB ILE 95 9.50 Upper QG GLN 83 - QD1 ILE 95 9.50 Upper HN ILE 85 - QB TYR 93 4.00 Upper QD1 ILE 85 - QB TYR 93 4.00 - at1g16640: write upl at1g16640.upl Distance constraint file "at1g16640.upl" written, 1103 upper limits, 1103 assignments. - at1g16640: read aco at1g16640.aco Angle constraint file "at1g16640.aco" read, 146 constraints for 146 angles. - at1g16640: distance stat Residue intra short med long Total 237 283 172 411 - at1g16640: calc_all 100 command=anneal steps=10000 100 structures selected. 100 random structures created (seed 35621). Structure annealed in 25 s, f = 60.7963. Structure annealed in 31 s, f = 67.3239. Structure annealed in 31 s, f = 47.9033. Structure annealed in 30 s, f = 56.9264. Structure annealed in 30 s, f = 142.727. Structure annealed in 31 s, f = 54.4934. Structure annealed in 31 s, f = 44.9911. Structure annealed in 32 s, f = 139.857. Structure annealed in 31 s, f = 59.8080. Structure annealed in 32 s, f = 127.139. Structure annealed in 31 s, f = 53.1917. Structure annealed in 31 s, f = 52.6603. Structure annealed in 31 s, f = 73.2008. Structure annealed in 32 s, f = 131.042. Structure annealed in 31 s, f = 44.9318. Structure annealed in 31 s, f = 50.0875. Structure annealed in 32 s, f = 164.914. Structure annealed in 31 s, f = 56.5586. Structure annealed in 31 s, f = 61.8977. Structure annealed in 31 s, f = 93.6164. Structure annealed in 32 s, f = 207.614. Structure annealed in 31 s, f = 58.8238. Structure annealed in 30 s, f = 53.9445. Structure annealed in 32 s, f = 183.607. Structure annealed in 31 s, f = 56.2445. Structure annealed in 24 s, f = 45.2090. Structure annealed in 31 s, f = 63.7739. Structure annealed in 30 s, f = 49.5469. Structure annealed in 30 s, f = 53.7200. Structure annealed in 31 s, f = 61.3313. Structure annealed in 31 s, f = 90.5933. Structure annealed in 32 s, f = 151.358. Structure annealed in 31 s, f = 55.2774. Structure annealed in 31 s, f = 64.1351. Structure annealed in 30 s, f = 49.4910. Structure annealed in 31 s, f = 56.4020. Structure annealed in 31 s, f = 56.6671. Structure annealed in 31 s, f = 48.6200. Structure annealed in 31 s, f = 49.9064. Structure annealed in 31 s, f = 59.6366. Structure annealed in 31 s, f = 53.8785. Structure annealed in 31 s, f = 72.0942. Structure annealed in 31 s, f = 62.5173. Structure annealed in 31 s, f = 61.5769. Structure annealed in 32 s, f = 144.671. Structure annealed in 31 s, f = 62.7660. Structure annealed in 31 s, f = 45.0092. Structure annealed in 31 s, f = 48.5139. Structure annealed in 32 s, f = 181.809. Structure annealed in 31 s, f = 57.5769. Structure annealed in 25 s, f = 93.4341. Structure annealed in 30 s, f = 50.8985. Structure annealed in 30 s, f = 52.0164. Structure annealed in 31 s, f = 56.2523. Structure annealed in 31 s, f = 53.7060. Structure annealed in 31 s, f = 59.0175. Structure annealed in 32 s, f = 165.257. Structure annealed in 31 s, f = 70.6196. Structure annealed in 32 s, f = 183.066. Structure annealed in 31 s, f = 49.9441. Structure annealed in 31 s, f = 53.0230. Structure annealed in 31 s, f = 48.1511. Structure annealed in 31 s, f = 46.6042. Structure annealed in 31 s, f = 59.7963. Structure annealed in 31 s, f = 48.1286. Structure annealed in 31 s, f = 70.0918. Structure annealed in 31 s, f = 48.1945. Structure annealed in 31 s, f = 47.9254. Structure annealed in 31 s, f = 53.2388. Structure annealed in 31 s, f = 49.6051. Structure annealed in 31 s, f = 61.7299. Structure annealed in 31 s, f = 44.7420. Structure annealed in 31 s, f = 63.8136. Structure annealed in 31 s, f = 66.6235. Structure annealed in 31 s, f = 53.2058. Structure annealed in 24 s, f = 46.4333. Structure annealed in 30 s, f = 69.8100. Structure annealed in 30 s, f = 50.9515. Structure annealed in 31 s, f = 55.3776. Structure annealed in 30 s, f = 51.4215. Structure annealed in 31 s, f = 79.6959. Structure annealed in 31 s, f = 57.7252. Structure annealed in 31 s, f = 162.122. Structure annealed in 31 s, f = 48.2811. Structure annealed in 31 s, f = 52.1321. Structure annealed in 31 s, f = 176.819. Structure annealed in 31 s, f = 48.0624. Structure annealed in 31 s, f = 70.0868. Structure annealed in 31 s, f = 63.2176. Structure annealed in 31 s, f = 49.5459. Structure annealed in 31 s, f = 50.4496. Structure annealed in 32 s, f = 193.901. Structure annealed in 32 s, f = 157.288. Structure annealed in 31 s, f = 58.0180. Structure annealed in 30 s, f = 49.8289. Structure annealed in 31 s, f = 66.7020. Structure annealed in 31 s, f = 66.1191. Structure annealed in 31 s, f = 50.6588. Structure annealed in 31 s, f = 46.3373. Structure annealed in 31 s, f = 53.6535. 100 structures finished in 127 s (1 s/structure). - at1g16640: overview structures=20 range=8..97 cor pdb full vdw 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 44.74 51 30.8 1.50 2 9.1 0.27 24 503.9131.45 2 44.93 50 30.6 1.47 4 9.4 0.35 19 488.3133.11 3 44.99 57 30.7 1.49 4 8.8 0.38 21 496.0131.27 4 45.01 58 31.8 1.49 3 9.3 0.27 19 501.4131.93 5 45.21 53 30.7 1.50 4 9.6 0.38 18 485.4131.81 6 46.34 56 32.2 1.49 4 9.5 0.39 20 494.1132.16 7 46.43 60 31.8 1.48 8 10.6 0.46 18 507.8131.87 8 46.60 57 31.7 1.50 7 9.7 0.34 19 499.1131.42 9 47.90 58 32.9 1.49 6 12.7 0.35 23 556.9130.73 10 47.93 60 34.0 1.46 9 9.7 0.41 21 486.3128.12 11 48.06 62 34.2 1.49 9 11.7 0.27 25 525.9131.62 12 48.13 59 33.8 1.49 7 11.8 0.42 25 516.2131.60 13 48.15 62 33.5 1.51 7 9.8 0.35 25 527.1131.17 14 48.19 60 33.8 1.50 8 11.3 0.37 25 519.4131.32 15 48.28 62 34.9 1.49 7 10.4 0.34 21 485.7131.83 16 48.51 62 33.1 1.49 10 11.6 0.41 23 521.0130.96 17 48.62 57 34.2 1.49 9 11.5 0.41 24 528.2132.95 18 49.49 65 35.1 1.48 7 10.5 0.37 26 580.7133.09 19 49.55 62 34.2 1.49 8 12.6 0.39 30 575.3130.46 20 49.55 58 33.2 1.47 8 12.5 0.39 28 572.0132.36 Ave 47.33 58 32.9 1.49 7 10.6 0.37 23 518.5131.56 +/- 1.61 4 1.4 0.01 2 1.2 0.05 3 29.9 1.06 Min 44.74 50 30.6 1.46 2 8.8 0.27 18 485.4128.12 Max 49.55 65 35.1 1.51 10 12.7 0.46 30 580.7133.11 Overview file "at1g16640.ovw" written. DG coordinate file "at1g16640.cor" written, 20 conformers. PDB coordinate file "at1g16640.pdb" written, 20 conformers. - at1g16640: ramachandran file=rama.ps nobackground label Struct fav add gen dis ------ --- --- --- --- 1 63 16 6 3 (SER 46, ASN 75, ARG+ 88) 2 70 11 5 2 (ASN 75, MET 101) 3 68 12 4 4 (GLU- 6, TYR 45, ASN 75, MET 101) 4 65 14 4 5 (TYR 45, ASN 75, ASP- 87, ARG+ 88, ASN 100) 5 67 15 3 3 (GLU- 6, TYR 45, ASN 75) 6 63 21 3 1 (ASN 75) 7 65 15 5 3 (GLU- 6, ASN 75, MET 101) 8 65 15 7 1 (ASN 75) 9 64 17 4 3 (ASN 75, ARG+ 88, HIS 99) 10 64 19 2 3 (ILE 38, TYR 45, ASN 75) 11 64 19 3 2 (ASN 75, ARG+ 88) 12 65 18 3 2 (TYR 45, ASN 75) 13 65 17 3 3 (ASP- 3, GLU- 6, ASN 75) 14 61 20 5 2 (ALA 2, ASN 75) 15 69 12 6 1 (ASN 75) 16 64 14 8 2 (TYR 45, ASN 75) 17 65 15 7 1 (ASN 75) 18 65 16 5 2 (ASN 75, MET 101) 19 65 19 2 2 (TYR 45, ASN 75) 20 64 19 4 1 (ASN 75) all 74% 18% 5% 3% Postscript file "rama.ps" written. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 23-Dec-2004 12:07:36