28-Jan-2005 14:39:05 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> - bc019267: read lib ./cyana-zn.lib Library file "./cyana-zn.lib" read, 53 residue types. - bc019267: read seq ./bc019267.seq Sequence file "./bc019267.seq" read, 31 residues. - bc019267: peakcheck peaks=c13no,n15no,c13noar prot=bc019267 ------------------------------------------------------------ Peak list : c13no Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 360 chemical shifts. - peakcheck: read peaks c13no *** 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 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 25 not found in chemical shift list. *** WARNING: Assignment of peak 26 not found in chemical shift list. *** WARNING: Assignment of peak 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 122 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 197 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 200 not found in chemical shift list. *** WARNING: Assignment of peak 230 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 236 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 249 not found in chemical shift list. *** WARNING: Assignment of peak 251 not found in chemical shift list. *** WARNING: Assignment of peak 252 not found in chemical shift list. *** WARNING: Assignment of peak 262 not found in chemical shift list. *** WARNING: Assignment of peak 263 not found in chemical shift list. *** WARNING: Assignment of peak 264 not found in chemical shift list. *** WARNING: Assignment of peak 274 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 280 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 357 not found in chemical shift list. *** WARNING: Assignment of peak 358 not found in chemical shift list. *** WARNING: Assignment of peak 365 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 376 not found in chemical shift list. *** WARNING: Assignment of peak 377 not found in chemical shift list. *** WARNING: Assignment of peak 378 not found in chemical shift list. *** WARNING: Assignment of peak 379 not found in chemical shift list. *** WARNING: Assignment of peak 384 not found in chemical shift list. *** WARNING: Assignment of peak 385 not found in chemical shift list. *** WARNING: Assignment of peak 394 not found in chemical shift list. *** WARNING: Assignment of peak 395 not found in chemical shift list. *** WARNING: Assignment of peak 397 not found in chemical shift list. *** WARNING: Assignment of peak 398 not found in chemical shift list. *** WARNING: Assignment of peak 399 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 406 not found in chemical shift list. *** WARNING: Assignment of peak 408 not found in chemical shift list. *** WARNING: Assignment of peak 409 not found in chemical shift list. *** WARNING: Assignment of peak 410 not found in chemical shift list. *** WARNING: Assignment of peak 411 not found in chemical shift list. *** WARNING: Assignment of peak 422 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 432 not found in chemical shift list. *** WARNING: Assignment of peak 434 not found in chemical shift list. *** WARNING: Assignment of peak 435 not found in chemical shift list. *** WARNING: Assignment of peak 438 not found in chemical shift list. *** WARNING: Assignment of peak 439 not found in chemical shift list. *** WARNING: Assignment of peak 440 not found in chemical shift list. *** WARNING: Assignment of peak 441 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 487 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 520 not found in chemical shift list. *** WARNING: Assignment of peak 527 not found in chemical shift list. *** WARNING: Assignment of peak 539 not found in chemical shift list. *** WARNING: Assignment of peak 541 not found in chemical shift list. *** WARNING: Assignment of peak 552 not found in chemical shift list. *** WARNING: Assignment of peak 553 not found in chemical shift list. *** WARNING: Assignment of peak 554 not found in chemical shift list. *** WARNING: Assignment of peak 560 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 569 not found in chemical shift list. *** WARNING: Assignment of peak 570 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 586 not found in chemical shift list. *** WARNING: Assignment of peak 587 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 589 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 605 not found in chemical shift list. *** WARNING: Assignment of peak 606 not found in chemical shift list. *** WARNING: Assignment of peak 609 not found in chemical shift list. *** WARNING: Assignment of peak 611 not found in chemical shift list. *** WARNING: Assignment of peak 612 not found in chemical shift list. *** WARNING: Assignment of peak 627 not found in chemical shift list. *** WARNING: Assignment of peak 628 not found in chemical shift list. *** WARNING: Assignment of peak 630 not found in chemical shift list. *** WARNING: Assignment of peak 631 not found in chemical shift list. *** WARNING: Assignment of peak 632 not found in chemical shift list. *** WARNING: Assignment of peak 633 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 654 not found in chemical shift list. *** WARNING: Assignment of peak 682 not found in chemical shift list. *** WARNING: Assignment of peak 683 not found in chemical shift list. *** WARNING: Assignment of peak 684 not found in chemical shift list. *** WARNING: Assignment of peak 700 not found in chemical shift list. *** WARNING: Assignment of peak 702 not found in chemical shift list. *** WARNING: Assignment of peak 705 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 736 not found in chemical shift list. *** WARNING: Assignment of peak 737 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 763 not found in chemical shift list. *** WARNING: Assignment of peak 764 not found in chemical shift list. *** WARNING: Assignment of peak 765 not found in chemical shift list. *** WARNING: Assignment of peak 766 not found in chemical shift list. *** WARNING: Assignment of peak 767 not found in chemical shift list. *** WARNING: Assignment of peak 768 not found in chemical shift list. *** WARNING: Assignment of peak 816 not found in chemical shift list. *** WARNING: Assignment of peak 833 not found in chemical shift list. *** WARNING: Assignment of peak 834 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 929 not found in chemical shift list. *** WARNING: Assignment of peak 930 not found in chemical shift list. *** WARNING: Assignment of peak 964 not found in chemical shift list. *** WARNING: Assignment of peak 1005 not found in chemical shift list. *** WARNING: Assignment of peak 1006 not found in chemical shift list. *** WARNING: Assignment of peak 1007 not found in chemical shift list. *** WARNING: Assignment of peak 1008 not found in chemical shift list. *** WARNING: Assignment of peak 1009 not found in chemical shift list. *** WARNING: Assignment of peak 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1022 not found in chemical shift list. *** WARNING: Assignment of peak 1023 not found in chemical shift list. *** WARNING: Assignment of peak 1063 not found in chemical shift list. *** WARNING: Assignment of peak 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1130 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1158 not found in chemical shift list. *** WARNING: Assignment of peak 1159 not found in chemical shift list. *** WARNING: Assignment of peak 1160 not found in chemical shift list. *** WARNING: Assignment of peak 1261 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1286 not found in chemical shift list. *** WARNING: Assignment of peak 1287 not found in chemical shift list. *** WARNING: Assignment of peak 1288 not found in chemical shift list. *** WARNING: Assignment of peak 1289 not found in chemical shift list. *** WARNING: Assignment of peak 1290 not found in chemical shift list. *** WARNING: Assignment of peak 1291 not found in chemical shift list. *** WARNING: Assignment of peak 1292 not found in chemical shift list. *** WARNING: Assignment of peak 1293 not found in chemical shift list. *** WARNING: Assignment of peak 1294 not found in chemical shift list. *** WARNING: Assignment of peak 1295 not found in chemical shift list. *** WARNING: Assignment of peak 1305 not found in chemical shift list. *** WARNING: Assignment of peak 1306 not found in chemical shift list. *** WARNING: Assignment of peak 1307 not found in chemical shift list. *** WARNING: Assignment of peak 1308 not found in chemical shift list. *** WARNING: Assignment of peak 1312 not found in chemical shift list. *** WARNING: Assignment of peak 1313 not found in chemical shift list. *** WARNING: Assignment of peak 1314 not found in chemical shift list. *** WARNING: Assignment of peak 1315 not found in chemical shift list. *** WARNING: Assignment of peak 1317 not found in chemical shift list. *** WARNING: Assignment of peak 1318 not found in chemical shift list. *** WARNING: Assignment of peak 1324 not found in chemical shift list. *** WARNING: Assignment of peak 1325 not found in chemical shift list. *** WARNING: Assignment of peak 1326 not found in chemical shift list. *** WARNING: Assignment of peak 1327 not found in chemical shift list. *** WARNING: Assignment of peak 1330 not found in chemical shift list. *** WARNING: Assignment of peak 1331 not found in chemical shift list. *** WARNING: Assignment of peak 1332 not found in chemical shift list. *** WARNING: Assignment of peak 1333 not found in chemical shift list. *** WARNING: Assignment of peak 1335 not found in chemical shift list. *** WARNING: Assignment of peak 1336 not found in chemical shift list. *** WARNING: Assignment of peak 1348 not found in chemical shift list. *** WARNING: Assignment of peak 1361 not found in chemical shift list. *** WARNING: Assignment of peak 1362 not found in chemical shift list. *** WARNING: Assignment of peak 1363 not found in chemical shift list. *** WARNING: Assignment of peak 1374 not found in chemical shift list. *** WARNING: Assignment of peak 1455 not found in chemical shift list. *** WARNING: Assignment of peak 1456 not found in chemical shift list. *** WARNING: Assignment of peak 1470 not found in chemical shift list. *** WARNING: Assignment of peak 1471 not found in chemical shift list. *** WARNING: Assignment of peak 1472 not found in chemical shift list. *** WARNING: Assignment of peak 1473 not found in chemical shift list. *** WARNING: Assignment of peak 1474 not found in chemical shift list. *** WARNING: Assignment of peak 1475 not found in chemical shift list. *** WARNING: Assignment of peak 1476 not found in chemical shift list. *** WARNING: Assignment of peak 1532 not found in chemical shift list. *** WARNING: Assignment of peak 1533 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1545 not found in chemical shift list. *** WARNING: Assignment of peak 1546 not found in chemical shift list. *** WARNING: Assignment of peak 1557 not found in chemical shift list. *** WARNING: Assignment of peak 1561 not found in chemical shift list. *** WARNING: Assignment of peak 1562 not found in chemical shift list. *** WARNING: Assignment of peak 1610 not found in chemical shift list. *** WARNING: Assignment of peak 1611 not found in chemical shift list. *** WARNING: Assignment of peak 1616 not found in chemical shift list. *** WARNING: Assignment of peak 1617 not found in chemical shift list. *** WARNING: Assignment of peak 1618 not found in chemical shift list. *** WARNING: Assignment of peak 1631 not found in chemical shift list. *** WARNING: Assignment of peak 1632 not found in chemical shift list. *** WARNING: Assignment of peak 1633 not found in chemical shift list. *** WARNING: Assignment of peak 1634 not found in chemical shift list. *** WARNING: Assignment of peak 1635 not found in chemical shift list. *** WARNING: Assignment of peak 1636 not found in chemical shift list. *** WARNING: Assignment of peak 1667 not found in chemical shift list. *** WARNING: Assignment of peak 1668 not found in chemical shift list. *** WARNING: Assignment of peak 1669 not found in chemical shift list. *** WARNING: Assignment of peak 1670 not found in chemical shift list. *** WARNING: Assignment of peak 1678 not found in chemical shift list. *** WARNING: Assignment of peak 1679 not found in chemical shift list. *** WARNING: Assignment of peak 1681 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 1685 not found in chemical shift list. *** WARNING: Assignment of peak 1687 not found in chemical shift list. *** WARNING: Assignment of peak 1688 not found in chemical shift list. *** WARNING: Assignment of peak 1689 not found in chemical shift list. *** WARNING: Assignment of peak 1690 not found in chemical shift list. *** WARNING: Assignment of peak 1691 not found in chemical shift list. *** WARNING: Assignment of peak 1692 not found in chemical shift list. *** WARNING: Assignment of peak 1693 not found in chemical shift list. *** WARNING: Assignment of peak 1694 not found in chemical shift list. *** WARNING: Assignment of peak 1701 not found in chemical shift list. *** WARNING: Assignment of peak 1702 not found in chemical shift list. *** WARNING: Assignment of peak 1703 not found in chemical shift list. *** WARNING: Assignment of peak 1704 not found in chemical shift list. *** WARNING: Assignment of peak 1705 not found in chemical shift list. *** WARNING: Assignment of peak 1706 not found in chemical shift list. *** WARNING: Assignment of peak 1707 not found in chemical shift list. *** WARNING: Assignment of peak 1708 not found in chemical shift list. *** WARNING: Assignment of peak 1709 not found in chemical shift list. *** WARNING: Assignment of peak 1710 not found in chemical shift list. *** WARNING: Assignment of peak 1711 not found in chemical shift list. *** WARNING: Assignment of peak 1712 not found in chemical shift list. *** WARNING: Assignment of peak 1713 not found in chemical shift list. *** WARNING: Assignment of peak 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1753 not found in chemical shift list. *** WARNING: Assignment of peak 1754 not found in chemical shift list. *** WARNING: Assignment of peak 1755 not found in chemical shift list. *** WARNING: Assignment of peak 1756 not found in chemical shift list. *** WARNING: Assignment of peak 1757 not found in chemical shift list. *** WARNING: Assignment of peak 1758 not found in chemical shift list. *** WARNING: Assignment of peak 1759 not found in chemical shift list. *** WARNING: Assignment of peak 1760 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1766 not found in chemical shift list. *** WARNING: Assignment of peak 1769 not found in chemical shift list. *** WARNING: Assignment of peak 1770 not found in chemical shift list. *** WARNING: Assignment of peak 1771 not found in chemical shift list. *** WARNING: Assignment of peak 1779 not found in chemical shift list. *** WARNING: Assignment of peak 1780 not found in chemical shift list. *** WARNING: Assignment of peak 1781 not found in chemical shift list. *** WARNING: Assignment of peak 1782 not found in chemical shift list. *** WARNING: Assignment of peak 1783 not found in chemical shift list. *** WARNING: Assignment of peak 1787 not found in chemical shift list. *** WARNING: Assignment of peak 1788 not found in chemical shift list. *** WARNING: Assignment of peak 1789 not found in chemical shift list. *** WARNING: Assignment of peak 1805 not found in chemical shift list. *** WARNING: Assignment of peak 1810 not found in chemical shift list. *** WARNING: Assignment of peak 1813 not found in chemical shift list. *** WARNING: Assignment of peak 1814 not found in chemical shift list. *** WARNING: Assignment of peak 1815 not found in chemical shift list. *** WARNING: Assignment of peak 1822 not found in chemical shift list. *** WARNING: Assignment of peak 1836 not found in chemical shift list. *** WARNING: Assignment of peak 1837 not found in chemical shift list. *** WARNING: Assignment of peak 1840 not found in chemical shift list. *** WARNING: Assignment of peak 1841 not found in chemical shift list. *** WARNING: Assignment of peak 1842 not found in chemical shift list. *** WARNING: Assignment of peak 1844 not found in chemical shift list. *** WARNING: Assignment of peak 1847 not found in chemical shift list. *** WARNING: Assignment of peak 1848 not found in chemical shift list. *** WARNING: Assignment of peak 1853 not found in chemical shift list. *** WARNING: Assignment of peak 1858 not found in chemical shift list. *** WARNING: Assignment of peak 1875 not found in chemical shift list. *** WARNING: Assignment of peak 1936 not found in chemical shift list. *** WARNING: Assignment of peak 1990 not found in chemical shift list. *** WARNING: Assignment of peak 1991 not found in chemical shift list. *** WARNING: Assignment of peak 1992 not found in chemical shift list. *** WARNING: Assignment of peak 1993 not found in chemical shift list. *** WARNING: Assignment of peak 1994 not found in chemical shift list. *** WARNING: Assignment of peak 1995 not found in chemical shift list. *** WARNING: Assignment of peak 1996 not found in chemical shift list. *** WARNING: Assignment of peak 1997 not found in chemical shift list. *** WARNING: Assignment of peak 1998 not found in chemical shift list. *** WARNING: Assignment of peak 1999 not found in chemical shift list. *** WARNING: Assignment of peak 2000 not found in chemical shift list. *** WARNING: Assignment of peak 2001 not found in chemical shift list. *** WARNING: Assignment of peak 2002 not found in chemical shift list. *** WARNING: Assignment of peak 2003 not found in chemical shift list. *** WARNING: Assignment of peak 2004 not found in chemical shift list. *** WARNING: Assignment of peak 2006 not found in chemical shift list. *** WARNING: Assignment of peak 2007 not found in chemical shift list. *** WARNING: Assignment of peak 2008 not found in chemical shift list. *** WARNING: Assignment of peak 2045 not found in chemical shift list. *** WARNING: Assignment of peak 2047 not found in chemical shift list. *** WARNING: Assignment of peak 2050 not found in chemical shift list. *** WARNING: Assignment of peak 2051 not found in chemical shift list. *** WARNING: Assignment of peak 2052 not found in chemical shift list. *** WARNING: Assignment of peak 2055 not found in chemical shift list. *** WARNING: Assignment of peak 2056 not found in chemical shift list. *** WARNING: Assignment of peak 2057 not found in chemical shift list. *** WARNING: Assignment of peak 2058 not found in chemical shift list. *** WARNING: Assignment of peak 2059 not found in chemical shift list. *** WARNING: Assignment of peak 2060 not found in chemical shift list. *** WARNING: Assignment of peak 2061 not found in chemical shift list. *** WARNING: Assignment of peak 2062 not found in chemical shift list. *** WARNING: Assignment of peak 2063 not found in chemical shift list. *** WARNING: Assignment of peak 2064 not found in chemical shift list. *** WARNING: Assignment of peak 2065 not found in chemical shift list. *** WARNING: Assignment of peak 2073 not found in chemical shift list. *** WARNING: Assignment of peak 2074 not found in chemical shift list. *** WARNING: Assignment of peak 2075 not found in chemical shift list. *** WARNING: Assignment of peak 2078 not found in chemical shift list. *** WARNING: Assignment of peak 2079 not found in chemical shift list. *** WARNING: Assignment of peak 2080 not found in chemical shift list. *** WARNING: Assignment of peak 2081 not found in chemical shift list. *** WARNING: Assignment of peak 2082 not found in chemical shift list. *** WARNING: Assignment of peak 2083 not found in chemical shift list. *** WARNING: Assignment of peak 2084 not found in chemical shift list. *** WARNING: Assignment of peak 2085 not found in chemical shift list. *** WARNING: Assignment of peak 2086 not found in chemical shift list. *** WARNING: Assignment of peak 2087 not found in chemical shift list. *** WARNING: Assignment of peak 2088 not found in chemical shift list. *** WARNING: Assignment of peak 2089 not found in chemical shift list. *** WARNING: Assignment of peak 2091 not found in chemical shift list. *** WARNING: Assignment of peak 2092 not found in chemical shift list. *** WARNING: Assignment of peak 2093 not found in chemical shift list. *** WARNING: Assignment of peak 2094 not found in chemical shift list. *** WARNING: Assignment of peak 2095 not found in chemical shift list. *** WARNING: Assignment of peak 2096 not found in chemical shift list. *** WARNING: Assignment of peak 2097 not found in chemical shift list. *** WARNING: Assignment of peak 2107 not found in chemical shift list. *** WARNING: Assignment of peak 2127 not found in chemical shift list. *** WARNING: Assignment of peak 2132 not found in chemical shift list. *** WARNING: Assignment of peak 2152 not found in chemical shift list. *** WARNING: Assignment of peak 2153 not found in chemical shift list. *** WARNING: Assignment of peak 2156 not found in chemical shift list. *** WARNING: Assignment of peak 2208 not found in chemical shift list. *** WARNING: Assignment of peak 2209 not found in chemical shift list. *** WARNING: Assignment of peak 2210 not found in chemical shift list. *** WARNING: Assignment of peak 2211 not found in chemical shift list. *** WARNING: Assignment of peak 2212 not found in chemical shift list. *** WARNING: Assignment of peak 2213 not found in chemical shift list. *** WARNING: Assignment of peak 2214 not found in chemical shift list. *** WARNING: Assignment of peak 2215 not found in chemical shift list. *** WARNING: Assignment of peak 2216 not found in chemical shift list. *** WARNING: Assignment of peak 2217 not found in chemical shift list. *** WARNING: Assignment of peak 2218 not found in chemical shift list. *** WARNING: Assignment of peak 2219 not found in chemical shift list. *** WARNING: Assignment of peak 2222 not found in chemical shift list. *** WARNING: Assignment of peak 2223 not found in chemical shift list. *** WARNING: Assignment of peak 2224 not found in chemical shift list. *** WARNING: Assignment of peak 2225 not found in chemical shift list. *** WARNING: Assignment of peak 2228 not found in chemical shift list. *** WARNING: Assignment of peak 2313 not found in chemical shift list. *** WARNING: Assignment of peak 2314 not found in chemical shift list. *** WARNING: Assignment of peak 2315 not found in chemical shift list. *** WARNING: Assignment of peak 2316 not found in chemical shift list. *** WARNING: Assignment of peak 2317 not found in chemical shift list. *** WARNING: Assignment of peak 2318 not found in chemical shift list. *** WARNING: Assignment of peak 2325 not found in chemical shift list. *** WARNING: Assignment of peak 2326 not found in chemical shift list. *** WARNING: Assignment of peak 2327 not found in chemical shift list. *** WARNING: Assignment of peak 2328 not found in chemical shift list. *** WARNING: Assignment of peak 2329 not found in chemical shift list. *** WARNING: Assignment of peak 2331 not found in chemical shift list. *** WARNING: Assignment of peak 2332 not found in chemical shift list. *** WARNING: Assignment of peak 2339 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 2344 not found in chemical shift list. *** WARNING: Assignment of peak 2345 not found in chemical shift list. *** WARNING: Assignment of peak 2346 not found in chemical shift list. *** WARNING: Assignment of peak 2347 not found in chemical shift list. *** WARNING: Assignment of peak 2348 not found in chemical shift list. *** WARNING: Assignment of peak 2349 not found in chemical shift list. *** WARNING: Assignment of peak 2350 not found in chemical shift list. *** WARNING: Assignment of peak 2351 not found in chemical shift list. *** WARNING: Assignment of peak 2354 not found in chemical shift list. *** WARNING: Assignment of peak 2355 not found in chemical shift list. *** WARNING: Assignment of peak 2356 not found in chemical shift list. *** WARNING: Assignment of peak 2358 not found in chemical shift list. *** WARNING: Assignment of peak 2360 not found in chemical shift list. *** WARNING: Assignment of peak 2361 not found in chemical shift list. *** WARNING: Assignment of peak 2376 not found in chemical shift list. *** WARNING: Assignment of peak 2377 not found in chemical shift list. *** WARNING: Assignment of peak 2384 not found in chemical shift list. *** WARNING: Assignment of peak 2409 not found in chemical shift list. *** WARNING: Assignment of peak 2410 not found in chemical shift list. *** WARNING: Assignment of peak 2411 not found in chemical shift list. *** WARNING: Assignment of peak 2412 not found in chemical shift list. *** WARNING: Assignment of peak 2413 not found in chemical shift list. *** WARNING: Assignment of peak 2418 not found in chemical shift list. *** WARNING: Assignment of peak 2424 not found in chemical shift list. *** WARNING: Assignment of peak 2425 not found in chemical shift list. *** WARNING: Assignment of peak 2429 not found in chemical shift list. *** WARNING: Assignment of peak 2430 not found in chemical shift list. *** WARNING: Assignment of peak 2431 not found in chemical shift list. *** WARNING: Assignment of peak 2432 not found in chemical shift list. *** WARNING: Assignment of peak 2433 not found in chemical shift list. *** WARNING: Assignment of peak 2434 not found in chemical shift list. *** WARNING: Assignment of peak 2435 not found in chemical shift list. *** WARNING: Assignment of peak 2436 not found in chemical shift list. *** WARNING: Assignment of peak 2437 not found in chemical shift list. *** WARNING: Assignment of peak 2438 not found in chemical shift list. *** WARNING: Assignment of peak 2439 not found in chemical shift list. *** WARNING: Assignment of peak 2440 not found in chemical shift list. *** WARNING: Assignment of peak 2441 not found in chemical shift list. *** WARNING: Assignment of peak 2442 not found in chemical shift list. *** WARNING: Assignment of peak 2444 not found in chemical shift list. *** WARNING: Assignment of peak 2445 not found in chemical shift list. *** WARNING: Assignment of peak 2446 not found in chemical shift list. *** WARNING: Assignment of peak 2447 not found in chemical shift list. *** WARNING: Assignment of peak 2448 not found in chemical shift list. *** WARNING: Assignment of peak 2450 not found in chemical shift list. *** WARNING: Assignment of peak 2451 not found in chemical shift list. *** WARNING: Assignment of peak 2452 not found in chemical shift list. Peak list "c13no.peaks" read, 1803 peaks, 733 assignments. - peakcheck: atom shift unusual Atom shift limit1 - limit2 CB ARG+ 58 36.158 25.200 35.800 HZ PHE 60 5.889 6.190 7.630 HA LEU 66 2.860 3.130 5.790 CE1 HIS 75 141.656 126.600 140.400 4 shifts outside expected range. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks QD PHE 70 7.566 7.573 0.032 6 HB2 ARG+ 78 1.890 1.891 0.131 11 HB3 ARG+ 78 1.959 2.021 0.062 3 3 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 711 1 0.062 HB3 ARG+ 78 711 2 0.062 HB3 ARG+ 78 1457 2 0.062 HB3 ARG+ 78 1514 1 0.032 QD PHE 70 2336 2 0.131 HB2 ARG+ 78 2337 2 0.131 HB2 ARG+ 78 6 deviations larger than tolerance. ------------------------------------------------------------ Peak list : n15no Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 360 chemical shifts. - peakcheck: read peaks n15no *** WARNING: Assignment of peak 1 not found in chemical shift list. *** 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 33 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 38 not found in chemical shift list. *** WARNING: Assignment of peak 49 not found in chemical shift list. *** WARNING: Assignment of peak 50 not found in chemical shift list. *** WARNING: Assignment of peak 51 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 57 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 62 not found in chemical shift list. *** WARNING: Assignment of peak 63 not found in chemical shift list. *** WARNING: Assignment of peak 64 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 80 not found in chemical shift list. *** WARNING: Assignment of peak 81 not found in chemical shift list. *** WARNING: Assignment of peak 82 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 96 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 121 not found in chemical shift list. *** WARNING: Assignment of peak 122 not found in chemical shift list. *** WARNING: Assignment of peak 123 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 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 170 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 178 not found in chemical shift list. *** WARNING: Assignment of peak 180 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 202 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 1 not found in chemical shift list. *** 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 33 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 38 not found in chemical shift list. *** WARNING: Assignment of peak 49 not found in chemical shift list. *** WARNING: Assignment of peak 50 not found in chemical shift list. *** WARNING: Assignment of peak 51 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 57 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 62 not found in chemical shift list. *** WARNING: Assignment of peak 63 not found in chemical shift list. *** WARNING: Assignment of peak 64 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 80 not found in chemical shift list. *** WARNING: Assignment of peak 81 not found in chemical shift list. *** WARNING: Assignment of peak 82 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 96 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 121 not found in chemical shift list. *** WARNING: Assignment of peak 122 not found in chemical shift list. *** WARNING: Assignment of peak 123 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 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 170 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 178 not found in chemical shift list. *** WARNING: Assignment of peak 180 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 202 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 250 not found in chemical shift list. *** WARNING: Assignment of peak 251 not found in chemical shift list. *** WARNING: Assignment of peak 252 not found in chemical shift list. *** WARNING: Assignment of peak 253 not found in chemical shift list. *** WARNING: Assignment of peak 254 not found in chemical shift list. *** WARNING: Assignment of peak 255 not found in chemical shift list. *** WARNING: Assignment of peak 256 not found in chemical shift list. *** WARNING: Assignment of peak 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 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 273 not found in chemical shift list. *** WARNING: Assignment of peak 274 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 294 not found in chemical shift list. *** WARNING: Assignment of peak 295 not found in chemical shift list. *** WARNING: Assignment of peak 296 not found in chemical shift list. *** WARNING: Assignment of peak 297 not found in chemical shift list. *** WARNING: Assignment of peak 300 not found in chemical shift list. *** WARNING: Assignment of peak 331 not found in chemical shift list. *** WARNING: Assignment of peak 335 not found in chemical shift list. *** WARNING: Assignment of peak 336 not found in chemical shift list. *** WARNING: Assignment of peak 337 not found in chemical shift list. *** WARNING: Assignment of peak 338 not found in chemical shift list. *** WARNING: Assignment of peak 340 not found in chemical shift list. *** WARNING: Assignment of peak 341 not found in chemical shift list. *** WARNING: Assignment of peak 342 not found in chemical shift list. *** WARNING: Assignment of peak 343 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 362 not found in chemical shift list. *** WARNING: Assignment of peak 363 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 376 not found in chemical shift list. *** WARNING: Assignment of peak 377 not found in chemical shift list. *** WARNING: Assignment of peak 378 not found in chemical shift list. *** WARNING: Assignment of peak 379 not found in chemical shift list. *** WARNING: Assignment of peak 380 not found in chemical shift list. *** WARNING: Assignment of peak 381 not found in chemical shift list. *** WARNING: Assignment of peak 383 not found in chemical shift list. *** WARNING: Assignment of peak 496 not found in chemical shift list. *** WARNING: Assignment of peak 497 not found in chemical shift list. *** WARNING: Assignment of peak 498 not found in chemical shift list. *** WARNING: Assignment of peak 499 not found in chemical shift list. *** WARNING: Assignment of peak 500 not found in chemical shift list. *** WARNING: Assignment of peak 501 not found in chemical shift list. *** WARNING: Assignment of peak 502 not found in chemical shift list. *** WARNING: Assignment of peak 504 not found in chemical shift list. *** WARNING: Assignment of peak 508 not found in chemical shift list. *** WARNING: Assignment of peak 509 not found in chemical shift list. *** WARNING: Assignment of peak 510 not found in chemical shift list. *** WARNING: Assignment of peak 511 not found in chemical shift list. *** WARNING: Assignment of peak 512 not found in chemical shift list. *** WARNING: Assignment of peak 513 not found in chemical shift list. *** WARNING: Assignment of peak 514 not found in chemical shift list. *** WARNING: Assignment of peak 515 not found in chemical shift list. *** WARNING: Assignment of peak 532 not found in chemical shift list. *** WARNING: Assignment of peak 534 not found in chemical shift list. *** WARNING: Assignment of peak 535 not found in chemical shift list. *** WARNING: Assignment of peak 536 not found in chemical shift list. *** WARNING: Assignment of peak 537 not found in chemical shift list. *** WARNING: Assignment of peak 538 not found in chemical shift list. *** WARNING: Assignment of peak 554 not found in chemical shift list. *** WARNING: Assignment of peak 555 not found in chemical shift list. *** WARNING: Assignment of peak 556 not found in chemical shift list. *** WARNING: Assignment of peak 557 not found in chemical shift list. *** WARNING: Assignment of peak 558 not found in chemical shift list. *** WARNING: Assignment of peak 559 not found in chemical shift list. *** WARNING: Assignment of peak 560 not found in chemical shift list. *** WARNING: Assignment of peak 561 not found in chemical shift list. *** WARNING: Assignment of peak 594 not found in chemical shift list. *** WARNING: Assignment of peak 598 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 601 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 613. *** WARNING: Assignment of peak 665 not found in chemical shift list. *** WARNING: Assignment of peak 666 not found in chemical shift list. *** WARNING: Assignment of peak 667 not found in chemical shift list. *** WARNING: Assignment of peak 668 not found in chemical shift list. *** WARNING: Assignment of peak 669 not found in chemical shift list. *** WARNING: Assignment of peak 670 not found in chemical shift list. *** WARNING: Assignment of peak 671 not found in chemical shift list. *** WARNING: Assignment of peak 686 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 688 not found in chemical shift list. *** WARNING: Assignment of peak 689 not found in chemical shift list. *** WARNING: Assignment of peak 691 not found in chemical shift list. *** WARNING: Assignment of peak 692 not found in chemical shift list. *** WARNING: Assignment of peak 693 not found in chemical shift list. *** WARNING: Assignment of peak 694 not found in chemical shift list. *** WARNING: Assignment of peak 696 not found in chemical shift list. *** WARNING: Assignment of peak 701 not found in chemical shift list. *** WARNING: Assignment of peak 702 not found in chemical shift list. *** WARNING: Assignment of peak 703 not found in chemical shift list. *** WARNING: Assignment of peak 704 not found in chemical shift list. *** WARNING: Assignment of peak 705 not found in chemical shift list. *** WARNING: Assignment of peak 706 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 779 not found in chemical shift list. *** WARNING: Assignment of peak 780 not found in chemical shift list. *** WARNING: Assignment of peak 781 not found in chemical shift list. *** WARNING: Assignment of peak 782 not found in chemical shift list. *** WARNING: Assignment of peak 783 not found in chemical shift list. *** WARNING: Assignment of peak 784 not found in chemical shift list. *** WARNING: Assignment of peak 785 not found in chemical shift list. *** WARNING: Assignment of peak 786 not found in chemical shift list. *** WARNING: Assignment of peak 789 not found in chemical shift list. *** WARNING: Assignment of peak 791 not found in chemical shift list. *** WARNING: Assignment of peak 837 not found in chemical shift list. *** WARNING: Assignment of peak 838 not found in chemical shift list. *** WARNING: Assignment of peak 839 not found in chemical shift list. *** WARNING: Assignment of peak 840 not found in chemical shift list. *** WARNING: Assignment of peak 841 not found in chemical shift list. *** WARNING: Assignment of peak 842 not found in chemical shift list. *** WARNING: Assignment of peak 843 not found in chemical shift list. *** WARNING: Assignment of peak 844 not found in chemical shift list. *** WARNING: Assignment of peak 845 not found in chemical shift list. *** WARNING: Assignment of peak 846 not found in chemical shift list. *** WARNING: Assignment of peak 859 not found in chemical shift list. *** WARNING: Assignment of peak 860 not found in chemical shift list. *** WARNING: Assignment of peak 861 not found in chemical shift list. *** WARNING: Assignment of peak 862 not found in chemical shift list. *** WARNING: Assignment of peak 863 not found in chemical shift list. *** WARNING: Assignment of peak 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 866 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 868 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 872 not found in chemical shift list. *** WARNING: Assignment of peak 873 not found in chemical shift list. *** WARNING: Assignment of peak 899 not found in chemical shift list. *** WARNING: Assignment of peak 900 not found in chemical shift list. *** WARNING: Assignment of peak 901 not found in chemical shift list. *** WARNING: Assignment of peak 902 not found in chemical shift list. *** WARNING: Assignment of peak 904 not found in chemical shift list. *** WARNING: Assignment of peak 905 not found in chemical shift list. *** WARNING: Assignment of peak 906 not found in chemical shift list. *** WARNING: Assignment of peak 907 not found in chemical shift list. *** WARNING: Assignment of peak 930 not found in chemical shift list. *** WARNING: Assignment of peak 931 not found in chemical shift list. *** WARNING: Assignment of peak 932 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 937 not found in chemical shift list. *** WARNING: Assignment of peak 939 not found in chemical shift list. *** WARNING: Assignment of peak 940 not found in chemical shift list. *** WARNING: Assignment of peak 941 not found in chemical shift list. *** WARNING: Assignment of peak 942 not found in chemical shift list. *** WARNING: Assignment of peak 951 not found in chemical shift list. *** WARNING: Assignment of peak 952 not found in chemical shift list. *** WARNING: Assignment of peak 953 not found in chemical shift list. *** WARNING: Assignment of peak 955 not found in chemical shift list. *** WARNING: Assignment of peak 956 not found in chemical shift list. *** WARNING: Assignment of peak 957 not found in chemical shift list. *** WARNING: Assignment of peak 970 not found in chemical shift list. *** WARNING: Assignment of peak 1096 not found in chemical shift list. *** WARNING: Assignment of peak 1129 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1287 not found in chemical shift list. *** WARNING: Assignment of peak 1294 not found in chemical shift list. *** WARNING: Assignment of peak 1441 not found in chemical shift list. *** WARNING: Assignment of peak 1444 not found in chemical shift list. *** WARNING: Assignment of peak 1473 not found in chemical shift list. *** WARNING: Assignment of peak 1474 not found in chemical shift list. *** WARNING: Assignment of peak 1475 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1497 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1510 not found in chemical shift list. *** WARNING: Assignment of peak 1516 not found in chemical shift list. *** WARNING: Assignment of peak 1517 not found in chemical shift list. *** WARNING: Assignment of peak 1530 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1533 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1537. *** WARNING: Assignment of peak 1538 not found in chemical shift list. Peak list "n15no.peaks" read, 999 peaks, 326 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks HA CYSZ 56 4.201 4.174 0.034 2 HB3 CYSZ 56 3.245 3.223 0.032 3 HA ARG+ 58 4.521 4.552 0.033 2 HB3 LYS+ 73 1.948 1.930 0.036 2 HB2 ASP- 74 2.762 2.732 0.035 2 5 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 302 1 -0.036 HB3 LYS+ 73 471 1 -0.034 HA CYSZ 56 524 1 -0.035 HB2 ASP- 74 655 1 0.033 HA ARG+ 58 662 1 -0.032 HB3 CYSZ 56 5 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13noar Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 360 chemical shifts. - peakcheck: read peaks c13noar *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 74 not found in chemical shift list. *** WARNING: Assignment of peak 75 not found in chemical shift list. *** WARNING: Assignment of peak 76 not found in chemical shift list. *** WARNING: Assignment of peak 78 not found in chemical shift list. *** WARNING: Assignment of peak 79 not found in chemical shift list. *** WARNING: Assignment of peak 80 not found in chemical shift list. *** WARNING: Assignment of peak 82 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 93 not found in chemical shift list. *** WARNING: Assignment of peak 94 not found in chemical shift list. *** WARNING: Assignment of peak 98 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 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 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 271 not found in chemical shift list. Peak list "c13noar.peaks" read, 228 peaks, 94 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks HB2 CYSZ 56 2.638 2.677 0.039 1 HB3 CYSZ 56 3.245 3.212 0.033 1 2 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 51 1 -0.033 HB3 CYSZ 56 269 1 0.039 HB2 CYSZ 56 2 deviations larger than tolerance. - bc019267: read prot ./bc019267.prot Chemical shift list "./bc019267.prot" read, 360 chemical shifts. - bc019267: read peaks ./c13no.peaks assigned integrated *** 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 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 25 not found in chemical shift list. *** WARNING: Assignment of peak 26 not found in chemical shift list. *** WARNING: Assignment of peak 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 48 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 122 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 197 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 200 not found in chemical shift list. *** WARNING: Assignment of peak 230 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 236 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 249 not found in chemical shift list. *** WARNING: Assignment of peak 251 not found in chemical shift list. *** WARNING: Assignment of peak 252 not found in chemical shift list. *** WARNING: Assignment of peak 262 not found in chemical shift list. *** WARNING: Assignment of peak 263 not found in chemical shift list. *** WARNING: Assignment of peak 264 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 357 not found in chemical shift list. *** WARNING: Assignment of peak 358 not found in chemical shift list. *** WARNING: Assignment of peak 365 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 376 not found in chemical shift list. *** WARNING: Assignment of peak 377 not found in chemical shift list. *** WARNING: Assignment of peak 378 not found in chemical shift list. *** WARNING: Assignment of peak 379 not found in chemical shift list. *** WARNING: Assignment of peak 384 not found in chemical shift list. *** WARNING: Assignment of peak 385 not found in chemical shift list. *** WARNING: Assignment of peak 394 not found in chemical shift list. *** WARNING: Assignment of peak 395 not found in chemical shift list. *** WARNING: Assignment of peak 397 not found in chemical shift list. *** WARNING: Assignment of peak 398 not found in chemical shift list. *** WARNING: Assignment of peak 399 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 406 not found in chemical shift list. *** WARNING: Assignment of peak 408 not found in chemical shift list. *** WARNING: Assignment of peak 409 not found in chemical shift list. *** WARNING: Assignment of peak 410 not found in chemical shift list. *** WARNING: Assignment of peak 411 not found in chemical shift list. *** WARNING: Assignment of peak 422 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 432 not found in chemical shift list. *** WARNING: Assignment of peak 434 not found in chemical shift list. *** WARNING: Assignment of peak 435 not found in chemical shift list. *** WARNING: Assignment of peak 438 not found in chemical shift list. *** WARNING: Assignment of peak 439 not found in chemical shift list. *** WARNING: Assignment of peak 440 not found in chemical shift list. *** WARNING: Assignment of peak 441 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 487 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 520 not found in chemical shift list. *** WARNING: Assignment of peak 527 not found in chemical shift list. *** WARNING: Assignment of peak 539 not found in chemical shift list. *** WARNING: Assignment of peak 541 not found in chemical shift list. *** WARNING: Assignment of peak 552 not found in chemical shift list. *** WARNING: Assignment of peak 553 not found in chemical shift list. *** WARNING: Assignment of peak 554 not found in chemical shift list. *** WARNING: Assignment of peak 560 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 569 not found in chemical shift list. *** WARNING: Assignment of peak 570 not found in chemical shift list. *** WARNING: Assignment of peak 586 not found in chemical shift list. *** WARNING: Assignment of peak 587 not found in chemical shift list. *** WARNING: Assignment of peak 589 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 605 not found in chemical shift list. *** WARNING: Assignment of peak 606 not found in chemical shift list. *** WARNING: Assignment of peak 609 not found in chemical shift list. *** WARNING: Assignment of peak 611 not found in chemical shift list. *** WARNING: Assignment of peak 612 not found in chemical shift list. *** WARNING: Assignment of peak 627 not found in chemical shift list. *** WARNING: Assignment of peak 630 not found in chemical shift list. *** WARNING: Assignment of peak 631 not found in chemical shift list. *** WARNING: Assignment of peak 632 not found in chemical shift list. *** WARNING: Assignment of peak 633 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 654 not found in chemical shift list. *** WARNING: Assignment of peak 682 not found in chemical shift list. *** WARNING: Assignment of peak 684 not found in chemical shift list. *** WARNING: Assignment of peak 700 not found in chemical shift list. *** WARNING: Assignment of peak 702 not found in chemical shift list. *** WARNING: Assignment of peak 705 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 736 not found in chemical shift list. *** WARNING: Assignment of peak 737 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 763 not found in chemical shift list. *** WARNING: Assignment of peak 764 not found in chemical shift list. *** WARNING: Assignment of peak 765 not found in chemical shift list. *** WARNING: Assignment of peak 766 not found in chemical shift list. *** WARNING: Assignment of peak 767 not found in chemical shift list. *** WARNING: Assignment of peak 768 not found in chemical shift list. *** WARNING: Assignment of peak 816 not found in chemical shift list. *** WARNING: Assignment of peak 833 not found in chemical shift list. *** WARNING: Assignment of peak 834 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 929 not found in chemical shift list. *** WARNING: Assignment of peak 930 not found in chemical shift list. *** WARNING: Assignment of peak 964 not found in chemical shift list. *** WARNING: Assignment of peak 1005 not found in chemical shift list. *** WARNING: Assignment of peak 1006 not found in chemical shift list. *** WARNING: Assignment of peak 1007 not found in chemical shift list. *** WARNING: Assignment of peak 1008 not found in chemical shift list. *** WARNING: Assignment of peak 1009 not found in chemical shift list. *** WARNING: Assignment of peak 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1022 not found in chemical shift list. *** WARNING: Assignment of peak 1023 not found in chemical shift list. *** WARNING: Assignment of peak 1063 not found in chemical shift list. *** WARNING: Assignment of peak 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1130 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1158 not found in chemical shift list. *** WARNING: Assignment of peak 1159 not found in chemical shift list. *** WARNING: Assignment of peak 1160 not found in chemical shift list. *** WARNING: Assignment of peak 1261 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1286 not found in chemical shift list. *** WARNING: Assignment of peak 1287 not found in chemical shift list. *** WARNING: Assignment of peak 1288 not found in chemical shift list. *** WARNING: Assignment of peak 1289 not found in chemical shift list. *** WARNING: Assignment of peak 1290 not found in chemical shift list. *** WARNING: Assignment of peak 1291 not found in chemical shift list. *** WARNING: Assignment of peak 1292 not found in chemical shift list. *** WARNING: Assignment of peak 1293 not found in chemical shift list. *** WARNING: Assignment of peak 1294 not found in chemical shift list. *** WARNING: Assignment of peak 1295 not found in chemical shift list. *** WARNING: Assignment of peak 1305 not found in chemical shift list. *** WARNING: Assignment of peak 1306 not found in chemical shift list. *** WARNING: Assignment of peak 1307 not found in chemical shift list. *** WARNING: Assignment of peak 1308 not found in chemical shift list. *** WARNING: Assignment of peak 1312 not found in chemical shift list. *** WARNING: Assignment of peak 1313 not found in chemical shift list. *** WARNING: Assignment of peak 1314 not found in chemical shift list. *** WARNING: Assignment of peak 1315 not found in chemical shift list. *** WARNING: Assignment of peak 1317 not found in chemical shift list. *** WARNING: Assignment of peak 1318 not found in chemical shift list. *** WARNING: Assignment of peak 1324 not found in chemical shift list. *** WARNING: Assignment of peak 1325 not found in chemical shift list. *** WARNING: Assignment of peak 1326 not found in chemical shift list. *** WARNING: Assignment of peak 1327 not found in chemical shift list. *** WARNING: Assignment of peak 1330 not found in chemical shift list. *** WARNING: Assignment of peak 1331 not found in chemical shift list. *** WARNING: Assignment of peak 1332 not found in chemical shift list. *** WARNING: Assignment of peak 1333 not found in chemical shift list. *** WARNING: Assignment of peak 1335 not found in chemical shift list. *** WARNING: Assignment of peak 1336 not found in chemical shift list. *** WARNING: Assignment of peak 1348 not found in chemical shift list. *** WARNING: Assignment of peak 1362 not found in chemical shift list. *** WARNING: Assignment of peak 1363 not found in chemical shift list. *** WARNING: Assignment of peak 1374 not found in chemical shift list. *** WARNING: Assignment of peak 1455 not found in chemical shift list. *** WARNING: Assignment of peak 1456 not found in chemical shift list. *** WARNING: Assignment of peak 1470 not found in chemical shift list. *** WARNING: Assignment of peak 1471 not found in chemical shift list. *** WARNING: Assignment of peak 1472 not found in chemical shift list. *** WARNING: Assignment of peak 1473 not found in chemical shift list. *** WARNING: Assignment of peak 1474 not found in chemical shift list. *** WARNING: Assignment of peak 1475 not found in chemical shift list. *** WARNING: Assignment of peak 1476 not found in chemical shift list. *** WARNING: Assignment of peak 1532 not found in chemical shift list. *** WARNING: Assignment of peak 1533 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1545 not found in chemical shift list. *** WARNING: Assignment of peak 1546 not found in chemical shift list. *** WARNING: Assignment of peak 1557 not found in chemical shift list. *** WARNING: Assignment of peak 1561 not found in chemical shift list. *** WARNING: Assignment of peak 1562 not found in chemical shift list. *** WARNING: Assignment of peak 1610 not found in chemical shift list. *** WARNING: Assignment of peak 1611 not found in chemical shift list. *** WARNING: Assignment of peak 1616 not found in chemical shift list. *** WARNING: Assignment of peak 1617 not found in chemical shift list. *** WARNING: Assignment of peak 1631 not found in chemical shift list. *** WARNING: Assignment of peak 1632 not found in chemical shift list. *** WARNING: Assignment of peak 1633 not found in chemical shift list. *** WARNING: Assignment of peak 1634 not found in chemical shift list. *** WARNING: Assignment of peak 1635 not found in chemical shift list. *** WARNING: Assignment of peak 1636 not found in chemical shift list. *** WARNING: Assignment of peak 1667 not found in chemical shift list. *** WARNING: Assignment of peak 1668 not found in chemical shift list. *** WARNING: Assignment of peak 1669 not found in chemical shift list. *** WARNING: Assignment of peak 1670 not found in chemical shift list. *** WARNING: Assignment of peak 1678 not found in chemical shift list. *** WARNING: Assignment of peak 1679 not found in chemical shift list. *** WARNING: Assignment of peak 1681 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 1685 not found in chemical shift list. *** WARNING: Assignment of peak 1687 not found in chemical shift list. *** WARNING: Assignment of peak 1688 not found in chemical shift list. *** WARNING: Assignment of peak 1689 not found in chemical shift list. *** WARNING: Assignment of peak 1690 not found in chemical shift list. *** WARNING: Assignment of peak 1691 not found in chemical shift list. *** WARNING: Assignment of peak 1692 not found in chemical shift list. *** WARNING: Assignment of peak 1693 not found in chemical shift list. *** WARNING: Assignment of peak 1694 not found in chemical shift list. *** WARNING: Assignment of peak 1701 not found in chemical shift list. *** WARNING: Assignment of peak 1702 not found in chemical shift list. *** WARNING: Assignment of peak 1703 not found in chemical shift list. *** WARNING: Assignment of peak 1704 not found in chemical shift list. *** WARNING: Assignment of peak 1705 not found in chemical shift list. *** WARNING: Assignment of peak 1706 not found in chemical shift list. *** WARNING: Assignment of peak 1707 not found in chemical shift list. *** WARNING: Assignment of peak 1708 not found in chemical shift list. *** WARNING: Assignment of peak 1709 not found in chemical shift list. *** WARNING: Assignment of peak 1710 not found in chemical shift list. *** WARNING: Assignment of peak 1713 not found in chemical shift list. *** WARNING: Assignment of peak 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1753 not found in chemical shift list. *** WARNING: Assignment of peak 1754 not found in chemical shift list. *** WARNING: Assignment of peak 1755 not found in chemical shift list. *** WARNING: Assignment of peak 1756 not found in chemical shift list. *** WARNING: Assignment of peak 1757 not found in chemical shift list. *** WARNING: Assignment of peak 1758 not found in chemical shift list. *** WARNING: Assignment of peak 1759 not found in chemical shift list. *** WARNING: Assignment of peak 1760 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1766 not found in chemical shift list. *** WARNING: Assignment of peak 1769 not found in chemical shift list. *** WARNING: Assignment of peak 1770 not found in chemical shift list. *** WARNING: Assignment of peak 1771 not found in chemical shift list. *** WARNING: Assignment of peak 1779 not found in chemical shift list. *** WARNING: Assignment of peak 1781 not found in chemical shift list. *** WARNING: Assignment of peak 1782 not found in chemical shift list. *** WARNING: Assignment of peak 1783 not found in chemical shift list. *** WARNING: Assignment of peak 1787 not found in chemical shift list. *** WARNING: Assignment of peak 1788 not found in chemical shift list. *** WARNING: Assignment of peak 1789 not found in chemical shift list. *** WARNING: Assignment of peak 1805 not found in chemical shift list. *** WARNING: Assignment of peak 1810 not found in chemical shift list. *** WARNING: Assignment of peak 1813 not found in chemical shift list. *** WARNING: Assignment of peak 1814 not found in chemical shift list. *** WARNING: Assignment of peak 1822 not found in chemical shift list. *** WARNING: Assignment of peak 1837 not found in chemical shift list. *** WARNING: Assignment of peak 1840 not found in chemical shift list. *** WARNING: Assignment of peak 1841 not found in chemical shift list. *** WARNING: Assignment of peak 1842 not found in chemical shift list. *** WARNING: Assignment of peak 1847 not found in chemical shift list. *** WARNING: Assignment of peak 1848 not found in chemical shift list. *** WARNING: Assignment of peak 1853 not found in chemical shift list. *** WARNING: Assignment of peak 1858 not found in chemical shift list. *** WARNING: Assignment of peak 1875 not found in chemical shift list. *** WARNING: Assignment of peak 1936 not found in chemical shift list. *** WARNING: Assignment of peak 1990 not found in chemical shift list. *** WARNING: Assignment of peak 1991 not found in chemical shift list. *** WARNING: Assignment of peak 1992 not found in chemical shift list. *** WARNING: Assignment of peak 1993 not found in chemical shift list. *** WARNING: Assignment of peak 1994 not found in chemical shift list. *** WARNING: Assignment of peak 1995 not found in chemical shift list. *** WARNING: Assignment of peak 1996 not found in chemical shift list. *** WARNING: Assignment of peak 1997 not found in chemical shift list. *** WARNING: Assignment of peak 1998 not found in chemical shift list. *** WARNING: Assignment of peak 1999 not found in chemical shift list. *** WARNING: Assignment of peak 2000 not found in chemical shift list. *** WARNING: Assignment of peak 2001 not found in chemical shift list. *** WARNING: Assignment of peak 2002 not found in chemical shift list. *** WARNING: Assignment of peak 2003 not found in chemical shift list. *** WARNING: Assignment of peak 2004 not found in chemical shift list. *** WARNING: Assignment of peak 2006 not found in chemical shift list. *** WARNING: Assignment of peak 2007 not found in chemical shift list. *** WARNING: Assignment of peak 2008 not found in chemical shift list. *** WARNING: Assignment of peak 2045 not found in chemical shift list. *** WARNING: Assignment of peak 2047 not found in chemical shift list. *** WARNING: Assignment of peak 2050 not found in chemical shift list. *** WARNING: Assignment of peak 2051 not found in chemical shift list. *** WARNING: Assignment of peak 2052 not found in chemical shift list. *** WARNING: Assignment of peak 2055 not found in chemical shift list. *** WARNING: Assignment of peak 2056 not found in chemical shift list. *** WARNING: Assignment of peak 2057 not found in chemical shift list. *** WARNING: Assignment of peak 2058 not found in chemical shift list. *** WARNING: Assignment of peak 2059 not found in chemical shift list. *** WARNING: Assignment of peak 2060 not found in chemical shift list. *** WARNING: Assignment of peak 2061 not found in chemical shift list. *** WARNING: Assignment of peak 2062 not found in chemical shift list. *** WARNING: Assignment of peak 2063 not found in chemical shift list. *** WARNING: Assignment of peak 2064 not found in chemical shift list. *** WARNING: Assignment of peak 2065 not found in chemical shift list. *** WARNING: Assignment of peak 2073 not found in chemical shift list. *** WARNING: Assignment of peak 2074 not found in chemical shift list. *** WARNING: Assignment of peak 2075 not found in chemical shift list. *** WARNING: Assignment of peak 2078 not found in chemical shift list. *** WARNING: Assignment of peak 2079 not found in chemical shift list. *** WARNING: Assignment of peak 2080 not found in chemical shift list. *** WARNING: Assignment of peak 2081 not found in chemical shift list. *** WARNING: Assignment of peak 2082 not found in chemical shift list. *** WARNING: Assignment of peak 2083 not found in chemical shift list. *** WARNING: Assignment of peak 2084 not found in chemical shift list. *** WARNING: Assignment of peak 2085 not found in chemical shift list. *** WARNING: Assignment of peak 2086 not found in chemical shift list. *** WARNING: Assignment of peak 2087 not found in chemical shift list. *** WARNING: Assignment of peak 2088 not found in chemical shift list. *** WARNING: Assignment of peak 2089 not found in chemical shift list. *** WARNING: Assignment of peak 2091 not found in chemical shift list. *** WARNING: Assignment of peak 2092 not found in chemical shift list. *** WARNING: Assignment of peak 2093 not found in chemical shift list. *** WARNING: Assignment of peak 2094 not found in chemical shift list. *** WARNING: Assignment of peak 2095 not found in chemical shift list. *** WARNING: Assignment of peak 2096 not found in chemical shift list. *** WARNING: Assignment of peak 2107 not found in chemical shift list. *** WARNING: Assignment of peak 2127 not found in chemical shift list. *** WARNING: Assignment of peak 2132 not found in chemical shift list. *** WARNING: Assignment of peak 2152 not found in chemical shift list. *** WARNING: Assignment of peak 2153 not found in chemical shift list. *** WARNING: Assignment of peak 2156 not found in chemical shift list. *** WARNING: Assignment of peak 2208 not found in chemical shift list. *** WARNING: Assignment of peak 2209 not found in chemical shift list. *** WARNING: Assignment of peak 2210 not found in chemical shift list. *** WARNING: Assignment of peak 2211 not found in chemical shift list. *** WARNING: Assignment of peak 2212 not found in chemical shift list. *** WARNING: Assignment of peak 2213 not found in chemical shift list. *** WARNING: Assignment of peak 2214 not found in chemical shift list. *** WARNING: Assignment of peak 2215 not found in chemical shift list. *** WARNING: Assignment of peak 2216 not found in chemical shift list. *** WARNING: Assignment of peak 2217 not found in chemical shift list. *** WARNING: Assignment of peak 2218 not found in chemical shift list. *** WARNING: Assignment of peak 2219 not found in chemical shift list. *** WARNING: Assignment of peak 2222 not found in chemical shift list. *** WARNING: Assignment of peak 2223 not found in chemical shift list. *** WARNING: Assignment of peak 2225 not found in chemical shift list. *** WARNING: Assignment of peak 2228 not found in chemical shift list. *** WARNING: Assignment of peak 2313 not found in chemical shift list. *** WARNING: Assignment of peak 2314 not found in chemical shift list. *** WARNING: Assignment of peak 2315 not found in chemical shift list. *** WARNING: Assignment of peak 2317 not found in chemical shift list. *** WARNING: Assignment of peak 2326 not found in chemical shift list. *** WARNING: Assignment of peak 2328 not found in chemical shift list. *** WARNING: Assignment of peak 2329 not found in chemical shift list. *** WARNING: Assignment of peak 2331 not found in chemical shift list. *** WARNING: Assignment of peak 2332 not found in chemical shift list. *** WARNING: Assignment of peak 2339 not found in chemical shift list. *** WARNING: Assignment of peak 2341 not found in chemical shift list. *** WARNING: Assignment of peak 2344 not found in chemical shift list. *** WARNING: Assignment of peak 2345 not found in chemical shift list. *** WARNING: Assignment of peak 2347 not found in chemical shift list. *** WARNING: Assignment of peak 2348 not found in chemical shift list. *** WARNING: Assignment of peak 2349 not found in chemical shift list. *** WARNING: Assignment of peak 2350 not found in chemical shift list. *** WARNING: Assignment of peak 2351 not found in chemical shift list. *** WARNING: Assignment of peak 2354 not found in chemical shift list. *** WARNING: Assignment of peak 2356 not found in chemical shift list. *** WARNING: Assignment of peak 2358 not found in chemical shift list. *** WARNING: Assignment of peak 2360 not found in chemical shift list. *** WARNING: Assignment of peak 2361 not found in chemical shift list. *** WARNING: Assignment of peak 2376 not found in chemical shift list. *** WARNING: Assignment of peak 2377 not found in chemical shift list. *** WARNING: Assignment of peak 2384 not found in chemical shift list. *** WARNING: Assignment of peak 2409 not found in chemical shift list. *** WARNING: Assignment of peak 2411 not found in chemical shift list. *** WARNING: Assignment of peak 2412 not found in chemical shift list. *** WARNING: Assignment of peak 2418 not found in chemical shift list. *** WARNING: Assignment of peak 2429 not found in chemical shift list. *** WARNING: Assignment of peak 2432 not found in chemical shift list. *** WARNING: Assignment of peak 2433 not found in chemical shift list. *** WARNING: Assignment of peak 2434 not found in chemical shift list. *** WARNING: Assignment of peak 2435 not found in chemical shift list. *** WARNING: Assignment of peak 2436 not found in chemical shift list. *** WARNING: Assignment of peak 2437 not found in chemical shift list. *** WARNING: Assignment of peak 2438 not found in chemical shift list. *** WARNING: Assignment of peak 2439 not found in chemical shift list. *** WARNING: Assignment of peak 2440 not found in chemical shift list. *** WARNING: Assignment of peak 2441 not found in chemical shift list. *** WARNING: Assignment of peak 2442 not found in chemical shift list. *** WARNING: Assignment of peak 2445 not found in chemical shift list. *** WARNING: Assignment of peak 2446 not found in chemical shift list. *** WARNING: Assignment of peak 2447 not found in chemical shift list. *** WARNING: Assignment of peak 2448 not found in chemical shift list. *** WARNING: Assignment of peak 2450 not found in chemical shift list. *** WARNING: Assignment of peak 2451 not found in chemical shift list. *** WARNING: Assignment of peak 2452 not found in chemical shift list. Peak list "./c13no.peaks" read, 732 peaks, 732 assignments. - bc019267: peaks set volume=abs(volume) Volume of 732 peaks set. - bc019267: atom shift check Atom Residue Shift Median Deviation Peaks QD PHE 70 7.566 7.573 0.032 6 HB2 ARG+ 78 1.890 1.891 0.131 11 HB3 ARG+ 78 1.959 2.021 0.062 3 3 shifts with spread larger than tolerance. - bc019267: caliba bb=3.0E+06 dmax=5.5 Calibration class: backbone 233 of 732 peaks, 233 of 732 assignments selected. Calibration function: 3.00E+06 * 1/d**6 206 upper limits added, 1 at lower, 1 at upper limit, average 3.61 A. Calibration class: side-chain 369 of 732 peaks, 369 of 732 assignments selected. 369 of 732 peaks, 369 of 732 assignments selected. Calibration function: 5.21E+05 * 1/d**4 294 upper limits added, 7 at lower, 63 at upper limit, average 4.61 A. Calibration class: methyl 130 of 732 peaks, 130 of 732 assignments selected. Calibration function: 1.74E+05 * 1/d**4 117 upper limits added, 1 at lower, 12 at upper limit, average 5.05 A. - bc019267: write upl c13no_cal.upl Distance constraint file "c13no_cal.upl" written, 617 upper limits, 617 assignments. - bc019267: distance delete 617 distance constraints deleted. - bc019267: read peaks ./n15no.peaks assigned integrated *** WARNING: Assignment of peak 1 not found in chemical shift list. *** 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 33 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 38 not found in chemical shift list. *** WARNING: Assignment of peak 49 not found in chemical shift list. *** WARNING: Assignment of peak 51 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 57 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 62 not found in chemical shift list. *** WARNING: Assignment of peak 63 not found in chemical shift list. *** WARNING: Assignment of peak 64 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 80 not found in chemical shift list. *** WARNING: Assignment of peak 81 not found in chemical shift list. *** WARNING: Assignment of peak 82 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 96 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 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 123 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 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 170 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 178 not found in chemical shift list. *** WARNING: Assignment of peak 180 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 202 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 1 not found in chemical shift list. *** 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 33 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 38 not found in chemical shift list. *** WARNING: Assignment of peak 49 not found in chemical shift list. *** WARNING: Assignment of peak 51 not found in chemical shift list. *** WARNING: Assignment of peak 52 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 57 not found in chemical shift list. *** WARNING: Assignment of peak 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 62 not found in chemical shift list. *** WARNING: Assignment of peak 63 not found in chemical shift list. *** WARNING: Assignment of peak 64 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 80 not found in chemical shift list. *** WARNING: Assignment of peak 81 not found in chemical shift list. *** WARNING: Assignment of peak 82 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 96 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 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 123 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 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 170 not found in chemical shift list. *** WARNING: Assignment of peak 171 not found in chemical shift list. *** WARNING: Assignment of peak 172 not found in chemical shift list. *** WARNING: Assignment of peak 173 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 178 not found in chemical shift list. *** WARNING: Assignment of peak 180 not found in chemical shift list. *** WARNING: Assignment of peak 181 not found in chemical shift list. *** WARNING: Assignment of peak 202 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 250 not found in chemical shift list. *** WARNING: Assignment of peak 251 not found in chemical shift list. *** WARNING: Assignment of peak 252 not found in chemical shift list. *** WARNING: Assignment of peak 253 not found in chemical shift list. *** WARNING: Assignment of peak 254 not found in chemical shift list. *** WARNING: Assignment of peak 255 not found in chemical shift list. *** WARNING: Assignment of peak 256 not found in chemical shift list. *** WARNING: Assignment of peak 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 271 not found in chemical shift list. *** WARNING: Assignment of peak 273 not found in chemical shift list. *** WARNING: Assignment of peak 274 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 294 not found in chemical shift list. *** WARNING: Assignment of peak 295 not found in chemical shift list. *** WARNING: Assignment of peak 296 not found in chemical shift list. *** WARNING: Assignment of peak 297 not found in chemical shift list. *** WARNING: Assignment of peak 300 not found in chemical shift list. *** WARNING: Assignment of peak 331 not found in chemical shift list. *** WARNING: Assignment of peak 335 not found in chemical shift list. *** WARNING: Assignment of peak 336 not found in chemical shift list. *** WARNING: Assignment of peak 337 not found in chemical shift list. *** WARNING: Assignment of peak 338 not found in chemical shift list. *** WARNING: Assignment of peak 340 not found in chemical shift list. *** WARNING: Assignment of peak 341 not found in chemical shift list. *** WARNING: Assignment of peak 342 not found in chemical shift list. *** WARNING: Assignment of peak 343 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 362 not found in chemical shift list. *** WARNING: Assignment of peak 363 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 376 not found in chemical shift list. *** WARNING: Assignment of peak 377 not found in chemical shift list. *** WARNING: Assignment of peak 378 not found in chemical shift list. *** WARNING: Assignment of peak 379 not found in chemical shift list. *** WARNING: Assignment of peak 380 not found in chemical shift list. *** WARNING: Assignment of peak 381 not found in chemical shift list. *** WARNING: Assignment of peak 383 not found in chemical shift list. *** WARNING: Assignment of peak 496 not found in chemical shift list. *** WARNING: Assignment of peak 497 not found in chemical shift list. *** WARNING: Assignment of peak 498 not found in chemical shift list. *** WARNING: Assignment of peak 499 not found in chemical shift list. *** WARNING: Assignment of peak 500 not found in chemical shift list. *** WARNING: Assignment of peak 501 not found in chemical shift list. *** WARNING: Assignment of peak 502 not found in chemical shift list. *** WARNING: Assignment of peak 504 not found in chemical shift list. *** WARNING: Assignment of peak 508 not found in chemical shift list. *** WARNING: Assignment of peak 509 not found in chemical shift list. *** WARNING: Assignment of peak 510 not found in chemical shift list. *** WARNING: Assignment of peak 511 not found in chemical shift list. *** WARNING: Assignment of peak 512 not found in chemical shift list. *** WARNING: Assignment of peak 513 not found in chemical shift list. *** WARNING: Assignment of peak 514 not found in chemical shift list. *** WARNING: Assignment of peak 515 not found in chemical shift list. *** WARNING: Assignment of peak 532 not found in chemical shift list. *** WARNING: Assignment of peak 534 not found in chemical shift list. *** WARNING: Assignment of peak 535 not found in chemical shift list. *** WARNING: Assignment of peak 536 not found in chemical shift list. *** WARNING: Assignment of peak 537 not found in chemical shift list. *** WARNING: Assignment of peak 538 not found in chemical shift list. *** WARNING: Assignment of peak 554 not found in chemical shift list. *** WARNING: Assignment of peak 555 not found in chemical shift list. *** WARNING: Assignment of peak 556 not found in chemical shift list. *** WARNING: Assignment of peak 557 not found in chemical shift list. *** WARNING: Assignment of peak 558 not found in chemical shift list. *** WARNING: Assignment of peak 559 not found in chemical shift list. *** WARNING: Assignment of peak 560 not found in chemical shift list. *** WARNING: Assignment of peak 594 not found in chemical shift list. *** WARNING: Assignment of peak 598 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 601 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 613. *** WARNING: Assignment of peak 665 not found in chemical shift list. *** WARNING: Assignment of peak 666 not found in chemical shift list. *** WARNING: Assignment of peak 667 not found in chemical shift list. *** WARNING: Assignment of peak 668 not found in chemical shift list. *** WARNING: Assignment of peak 669 not found in chemical shift list. *** WARNING: Assignment of peak 670 not found in chemical shift list. *** WARNING: Assignment of peak 671 not found in chemical shift list. *** WARNING: Assignment of peak 686 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 688 not found in chemical shift list. *** WARNING: Assignment of peak 689 not found in chemical shift list. *** WARNING: Assignment of peak 691 not found in chemical shift list. *** WARNING: Assignment of peak 692 not found in chemical shift list. *** WARNING: Assignment of peak 693 not found in chemical shift list. *** WARNING: Assignment of peak 696 not found in chemical shift list. *** WARNING: Assignment of peak 701 not found in chemical shift list. *** WARNING: Assignment of peak 702 not found in chemical shift list. *** WARNING: Assignment of peak 704 not found in chemical shift list. *** WARNING: Assignment of peak 705 not found in chemical shift list. *** WARNING: Assignment of peak 706 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 779 not found in chemical shift list. *** WARNING: Assignment of peak 780 not found in chemical shift list. *** WARNING: Assignment of peak 781 not found in chemical shift list. *** WARNING: Assignment of peak 782 not found in chemical shift list. *** WARNING: Assignment of peak 783 not found in chemical shift list. *** WARNING: Assignment of peak 784 not found in chemical shift list. *** WARNING: Assignment of peak 785 not found in chemical shift list. *** WARNING: Assignment of peak 786 not found in chemical shift list. *** WARNING: Assignment of peak 789 not found in chemical shift list. *** WARNING: Assignment of peak 791 not found in chemical shift list. *** WARNING: Assignment of peak 837 not found in chemical shift list. *** WARNING: Assignment of peak 838 not found in chemical shift list. *** WARNING: Assignment of peak 839 not found in chemical shift list. *** WARNING: Assignment of peak 840 not found in chemical shift list. *** WARNING: Assignment of peak 841 not found in chemical shift list. *** WARNING: Assignment of peak 842 not found in chemical shift list. *** WARNING: Assignment of peak 843 not found in chemical shift list. *** WARNING: Assignment of peak 845 not found in chemical shift list. *** WARNING: Assignment of peak 846 not found in chemical shift list. *** WARNING: Assignment of peak 859 not found in chemical shift list. *** WARNING: Assignment of peak 860 not found in chemical shift list. *** WARNING: Assignment of peak 861 not found in chemical shift list. *** WARNING: Assignment of peak 862 not found in chemical shift list. *** WARNING: Assignment of peak 863 not found in chemical shift list. *** WARNING: Assignment of peak 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 866 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 868 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 873 not found in chemical shift list. *** WARNING: Assignment of peak 899 not found in chemical shift list. *** WARNING: Assignment of peak 900 not found in chemical shift list. *** WARNING: Assignment of peak 902 not found in chemical shift list. *** WARNING: Assignment of peak 904 not found in chemical shift list. *** WARNING: Assignment of peak 905 not found in chemical shift list. *** WARNING: Assignment of peak 906 not found in chemical shift list. *** WARNING: Assignment of peak 907 not found in chemical shift list. *** WARNING: Assignment of peak 930 not found in chemical shift list. *** WARNING: Assignment of peak 931 not found in chemical shift list. *** WARNING: Assignment of peak 932 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 937 not found in chemical shift list. *** WARNING: Assignment of peak 939 not found in chemical shift list. *** WARNING: Assignment of peak 940 not found in chemical shift list. *** WARNING: Assignment of peak 942 not found in chemical shift list. *** WARNING: Assignment of peak 951 not found in chemical shift list. *** WARNING: Assignment of peak 952 not found in chemical shift list. *** WARNING: Assignment of peak 953 not found in chemical shift list. *** WARNING: Assignment of peak 955 not found in chemical shift list. *** WARNING: Assignment of peak 956 not found in chemical shift list. *** WARNING: Assignment of peak 957 not found in chemical shift list. *** WARNING: Assignment of peak 1096 not found in chemical shift list. *** WARNING: Assignment of peak 1129 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1287 not found in chemical shift list. *** WARNING: Assignment of peak 1294 not found in chemical shift list. *** WARNING: Assignment of peak 1441 not found in chemical shift list. *** WARNING: Assignment of peak 1444 not found in chemical shift list. *** WARNING: Assignment of peak 1473 not found in chemical shift list. *** WARNING: Assignment of peak 1474 not found in chemical shift list. *** WARNING: Assignment of peak 1475 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1497 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1510 not found in chemical shift list. *** WARNING: Assignment of peak 1516 not found in chemical shift list. *** WARNING: Assignment of peak 1517 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1533 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1537. *** WARNING: Assignment of peak 1538 not found in chemical shift list. Peak list "./n15no.peaks" read, 326 peaks, 326 assignments. - bc019267: peaks set volume=abs(volume) Volume of 326 peaks set. - bc019267: atom shift check Atom Residue Shift Median Deviation Peaks HA CYSZ 56 4.201 4.174 0.034 2 HB3 CYSZ 56 3.245 3.223 0.032 3 HA ARG+ 58 4.521 4.552 0.033 2 HB3 LYS+ 73 1.948 1.930 0.036 2 HB2 ASP- 74 2.762 2.732 0.035 2 5 shifts with spread larger than tolerance. - bc019267: caliba bb=7.0E+06 dmax=5.5 Calibration class: backbone 226 of 326 peaks, 226 of 326 assignments selected. Calibration function: 7.00E+06 * 1/d**6 191 upper limits added, 0 at lower, 0 at upper limit, average 3.63 A. Calibration class: side-chain 70 of 326 peaks, 70 of 326 assignments selected. 70 of 326 peaks, 70 of 326 assignments selected. Calibration function: 1.22E+06 * 1/d**4 67 upper limits added, 0 at lower, 21 at upper limit, average 5.15 A. Calibration class: methyl 30 of 326 peaks, 30 of 326 assignments selected. Calibration function: 4.05E+05 * 1/d**4 30 upper limits added, 0 at lower, 10 at upper limit, average 5.95 A. - bc019267: write upl n15no_cal.upl Distance constraint file "n15no_cal.upl" written, 288 upper limits, 288 assignments. - bc019267: distance delete 288 distance constraints deleted. - bc019267: atom shift check Atom Residue Shift Median Deviation Peaks HA CYSZ 56 4.201 4.174 0.034 2 HB3 CYSZ 56 3.245 3.223 0.032 3 HA ARG+ 58 4.521 4.552 0.033 2 HB3 LYS+ 73 1.948 1.930 0.036 2 HB2 ASP- 74 2.762 2.732 0.035 2 5 shifts with spread larger than tolerance. - bc019267: read peaks ./c13noar.peaks assigned integrated *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 74 not found in chemical shift list. *** WARNING: Assignment of peak 75 not found in chemical shift list. *** WARNING: Assignment of peak 76 not found in chemical shift list. *** WARNING: Assignment of peak 78 not found in chemical shift list. *** WARNING: Assignment of peak 80 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 93 not found in chemical shift list. *** WARNING: Assignment of peak 94 not found in chemical shift list. *** WARNING: Assignment of peak 98 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 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 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 271 not found in chemical shift list. Peak list "./c13noar.peaks" read, 94 peaks, 94 assignments. - bc019267: peaks set volume=abs(volume) Volume of 94 peaks set. - bc019267: caliba bb=1.0E+06 dmax=5.5 Calibration class: backbone 0 of 94 peaks, 0 of 94 assignments selected. Calibration function: 1.00E+06 * 1/d**6 0 upper limits added. Calibration class: side-chain 84 of 94 peaks, 84 of 94 assignments selected. 84 of 94 peaks, 84 of 94 assignments selected. Calibration function: 1.74E+05 * 1/d**4 70 upper limits added, 2 at lower, 0 at upper limit, average 5.38 A. Calibration class: methyl 10 of 94 peaks, 10 of 94 assignments selected. Calibration function: 5.79E+04 * 1/d**4 10 upper limits added, 0 at lower, 0 at upper limit, average 5.43 A. - bc019267: write upl c13no_ar_cal.upl Distance constraint file "c13no_ar_cal.upl" written, 80 upper limits, 80 assignments. - bc019267: distance delete 80 distance constraints deleted. - bc019267: read upl c13no_cal.upl Distance constraint file "c13no_cal.upl" read, 617 upper limits, 617 assignments. - bc019267: read upl n15no_cal.upl append Distance constraint file "n15no_cal.upl" read, 288 upper limits, 288 assignments. - bc019267: read upl c13no_ar_cal.upl append Distance constraint file "c13no_ar_cal.upl" read, 80 upper limits, 80 assignments. - bc019267: read upl zinc.upl append Distance constraint file "zinc.upl" read, 10 upper limits, 10 assignments. - bc019267: read lol zinc.lol append Distance constraint file "zinc.lol" read, 10 upper limits, 10 assignments. - bc019267: distance modify Number of modified constraints: 497 - bc019267: distance check Distance constraint Score Upper HA SER 63 - HN LYS+ 67 4.00 Upper HA PHE 70 - HB3 HIS 75 8.00 Upper HA PHE 70 - HB2 HIS 75 8.00 Upper HG12 ILE 61 - HD22 ASN 65 13.25 Upper HG13 ILE 61 - HD22 ASN 65 13.25 Upper HG12 ILE 61 - HD21 ASN 65 13.25 Upper HG13 ILE 61 - HD21 ASN 65 13.25 Upper HB2 ARG+ 52 - HB2 TYR 59 20.50 Upper HB2 ARG+ 52 - HB3 TYR 59 20.50 Upper HB3 ARG+ 52 - QE TYR 59 20.50 Upper HB2 ARG+ 52 - QE TYR 59 20.50 Upper HD3 ARG+ 52 - QE TYR 59 20.50 Upper HA HIS 51 - HG LEU 66 9.00 Upper HG LEU 66 - QD PHE 70 10.75 Upper HN ARG+ 52 - HG LEU 66 10.50 Upper HG2 ARG+ 52 - QE TYR 59 20.50 Upper QE PHE 60 - HB3 HIS 69 2.00 Upper QE PHE 60 - HB2 HIS 69 2.00 Upper HE1 HIS 51 - HB3 SER 63 2.50 Upper HB3 CYSZ 56 - HE1 HIS 69 6.00 Upper HB2 HIS 51 - HB2 LEU 66 9.00 Upper HB2 HIS 51 - HG LEU 66 9.00 Upper HB3 HIS 51 - HG LEU 66 9.00 Upper HB3 HIS 51 - HB2 LEU 66 9.00 Upper HD2 ARG+ 52 - QE TYR 59 20.50 Upper HB2 CYS- 53 - HG LEU 66 10.00 Upper HB3 CYS- 53 - HG LEU 66 10.00 Upper HB2 CYS- 53 - HZ PHE 70 7.00 Upper HB2 CYS- 53 - QE PHE 60 12.00 Upper HB2 CYS- 53 - HN ARG+ 58 7.25 Upper HB3 CYS- 53 - HN ARG+ 58 7.25 Upper HB2 CYS- 53 - QD PHE 70 7.00 Upper HB3 CYS- 53 - QD PHE 70 7.00 Upper HA PHE 70 - HD2 HIS 75 8.00 Upper QD1 ILE 61 - HD21 ASN 65 13.25 Upper HE1 HIS 75 - QD1 LEU 79 8.00 Upper HB2 CYS- 53 - QD1 LEU 66 10.00 Upper HB3 CYS- 53 - QD1 LEU 66 10.00 Upper HA ARG+ 52 - HN PHE 60 13.50 Upper HN CYS- 53 - HN ARG+ 58 7.25 Upper HA HIS 75 - HN LEU 79 8.00 Upper HN ARG+ 52 - QD TYR 59 20.50 Upper HN CYS- 53 - QE PHE 60 12.00 Upper HN CYS- 53 - HG LEU 66 10.00 Upper HN CYS- 53 - QD PHE 60 12.00 Upper QD1 ILE 61 - HD22 ASN 65 13.25 Upper HZ PHE 60 - HE1 HIS 69 2.00 Upper HE1 HIS 51 - HB2 SER 63 2.50 Upper HB2 ARG+ 52 - QD TYR 59 20.50 Upper HB3 ARG+ 52 - QD TYR 59 20.50 Upper QD PHE 60 - HB3 ASN 65 11.00 Upper QD PHE 60 - HB2 ASN 65 11.00 Upper QD PHE 60 - HB3 LEU 66 11.75 Upper QD PHE 60 - HB2 LEU 66 11.75 Upper QD PHE 60 - HN ASN 65 11.00 Upper HA CYS- 53 - QD PHE 70 7.00 Upper QD PHE 70 - HE1 HIS 75 8.00 Upper QE PHE 60 - HN LEU 66 11.75 Upper HB3 CYS- 53 - QE PHE 60 12.00 Upper QE PHE 60 - HG LEU 66 11.75 Upper QE PHE 70 - HE1 HIS 75 8.00 Upper HG LEU 66 - QE PHE 70 10.75 Upper HB3 CYS- 53 - HZ PHE 70 7.00 Upper HB2 CYS- 53 - HZ PHE 60 12.00 Upper HD2 HIS 51 - HA ASP- 62 1.50 Upper HG3 ARG+ 52 - QE TYR 59 20.50 Upper HB3 CYS- 53 - HZ PHE 60 12.00 Upper HB2 CYSZ 56 - HE1 HIS 69 6.00 Upper QB ALA 55 - HE1 HIS 75 2.00 Upper HE1 HIS 75 - QD2 LEU 79 8.00 Upper HD2 HIS 75 - QD2 LEU 79 8.00 Upper HD2 HIS 75 - QD1 LEU 79 8.00 Upper ZN CYSZ 56 - NE2 HIS 69 5.00 Upper ZN CYSZ 56 - NE2 HIS 75 2.50 Upper SG CYS- 53 - NE2 HIS 75 0.00 Upper SG CYSZ 56 - NE2 HIS 75 2.50 Upper SG CYSZ 56 - NE2 HIS 69 5.00 Upper SG CYS- 53 - NE2 HIS 69 3.50 Upper NE2 HIS 69 - NE2 HIS 75 4.00 Lower ZN CYSZ 56 - NE2 HIS 69 5.00 Lower ZN CYSZ 56 - NE2 HIS 75 2.50 Lower SG CYSZ 56 - NE2 HIS 75 2.50 Lower SG CYSZ 56 - NE2 HIS 69 5.00 Lower SG CYS- 53 - NE2 HIS 69 3.50 Lower NE2 HIS 69 - NE2 HIS 75 4.00 Upper HN HIS 51 - QB PHE 60 5.00 Upper QB HIS 51 - QB LEU 66 9.00 Upper HB2 HIS 51 - HB3 LEU 66 9.00 Upper HB3 HIS 51 - HB3 LEU 66 9.00 Upper QB HIS 51 - HG LEU 66 9.00 Upper HE1 HIS 51 - QB SER 63 2.50 Upper HN ARG+ 52 - QQD LEU 66 10.50 Upper QB ARG+ 52 - QB TYR 59 20.50 Upper HB3 ARG+ 52 - HB2 TYR 59 20.50 Upper HB3 ARG+ 52 - HB3 TYR 59 20.50 Upper QB ARG+ 52 - QD TYR 59 20.50 Upper QB ARG+ 52 - QE TYR 59 20.50 Upper QG ARG+ 52 - QE TYR 59 20.50 Upper QD ARG+ 52 - QE TYR 59 20.50 Upper HN CYS- 53 - QQD LEU 66 10.00 Upper HA CYS- 53 - QQD LEU 66 10.00 Upper QB CYS- 53 - HN ALA 57 9.00 Upper QB CYS- 53 - QE PHE 60 12.00 Upper QB CYS- 53 - HZ PHE 60 12.00 Upper QB CYS- 53 - QQD LEU 66 10.00 Upper HB2 CYS- 53 - QD2 LEU 66 10.00 Upper HB3 CYS- 53 - QD2 LEU 66 10.00 Upper QB CYS- 53 - QE PHE 70 7.00 Upper QB CYS- 53 - HZ PHE 70 7.00 Upper QB CYSZ 56 - HE1 HIS 69 6.00 Upper QB PHE 60 - HN LEU 66 11.75 Upper QB PHE 60 - QQD LEU 66 11.75 Upper QD PHE 60 - QB LEU 66 11.75 Upper QD PHE 60 - QQD LEU 66 11.75 Upper QE PHE 60 - QQD LEU 66 11.75 Upper HN ILE 61 - QB ASN 65 13.25 Upper QG2 ILE 61 - QD2 ASN 65 13.25 Upper QD1 ILE 61 - QD2 ASN 65 13.25 Upper QB LEU 66 - HZ PHE 70 10.75 Upper QQD LEU 66 - QD PHE 70 10.75 Upper QQD LEU 66 - QE PHE 70 10.75 Upper QQD LEU 66 - HZ PHE 70 10.75 Upper HA PHE 70 - QB HIS 75 8.00 Upper QB PHE 70 - QB HIS 75 8.00 Upper QB PHE 70 - HD2 HIS 75 8.00 Upper HN SER 72 - QE LYS+ 76 2.50 Upper QB SER 72 - HN LYS+ 76 2.50 Upper QG LYS+ 73 - HN LYS+ 77 3.00 Upper QE LYS+ 73 - QG LYS+ 77 3.00 Upper HD2 HIS 75 - QQD LEU 79 8.00 Upper HE1 HIS 75 - QQD LEU 79 8.00 - bc019267: write upl bc019267.upl Distance constraint file "bc019267.upl" written, 488 upper limits, 488 assignments. - bc019267: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 38 constraints for 38 angles. - bc019267: distance stat Residue intra short med long Total 158 129 121 89 - bc019267: calc_all 100 command=anneal steps=10000 100 structures selected. 100 random structures created (seed 35621). Structure annealed in 6 s, f = 2.45465. Structure annealed in 6 s, f = 5.14787. Structure annealed in 6 s, f = 2.08652. Structure annealed in 6 s, f = 2.55240. Structure annealed in 6 s, f = 2.07315. Structure annealed in 6 s, f = 1.93560. Structure annealed in 6 s, f = 1.83007. Structure annealed in 6 s, f = 13.2906. Structure annealed in 6 s, f = 6.62186. Structure annealed in 6 s, f = 4.72289. Structure annealed in 6 s, f = 1.67507. Structure annealed in 6 s, f = 1.88745. Structure annealed in 6 s, f = 1.83587. Structure annealed in 6 s, f = 4.60795. Structure annealed in 6 s, f = 1.65800. Structure annealed in 6 s, f = 2.04858. Structure annealed in 6 s, f = 1.73673. Structure annealed in 6 s, f = 1.71771. Structure annealed in 6 s, f = 1.84412. Structure annealed in 6 s, f = 1.63481. Structure annealed in 6 s, f = 1.83667. Structure annealed in 6 s, f = 1.73661. Structure annealed in 6 s, f = 1.69842. Structure annealed in 6 s, f = 2.17650. Structure annealed in 6 s, f = 8.16987. Structure annealed in 6 s, f = 1.87585. Structure annealed in 6 s, f = 2.24651. Structure annealed in 6 s, f = 1.75728. Structure annealed in 6 s, f = 1.68736. Structure annealed in 6 s, f = 1.63133. Structure annealed in 6 s, f = 2.02999. Structure annealed in 6 s, f = 2.17819. Structure annealed in 6 s, f = 2.18483. Structure annealed in 6 s, f = 1.74488. Structure annealed in 6 s, f = 1.69551. Structure annealed in 6 s, f = 1.69686. Structure annealed in 6 s, f = 1.82691. Structure annealed in 6 s, f = 1.77520. Structure annealed in 6 s, f = 1.77284. Structure annealed in 6 s, f = 4.96508. Structure annealed in 6 s, f = 3.15591. Structure annealed in 6 s, f = 1.80093. Structure annealed in 6 s, f = 4.74749. Structure annealed in 6 s, f = 2.49626. Structure annealed in 6 s, f = 1.97996. Structure annealed in 6 s, f = 3.16728. Structure annealed in 6 s, f = 1.85066. Structure annealed in 6 s, f = 1.86274. Structure annealed in 6 s, f = 2.38708. Structure annealed in 6 s, f = 1.85712. Structure annealed in 6 s, f = 9.34129. Structure annealed in 6 s, f = 1.82337. Structure annealed in 6 s, f = 1.81532. Structure annealed in 6 s, f = 1.85126. Structure annealed in 6 s, f = 1.65911. Structure annealed in 6 s, f = 1.72686. Structure annealed in 6 s, f = 11.6845. Structure annealed in 6 s, f = 3.11257. Structure annealed in 6 s, f = 1.71518. Structure annealed in 6 s, f = 1.73442. Structure annealed in 6 s, f = 1.76301. Structure annealed in 6 s, f = 2.04220. Structure annealed in 6 s, f = 1.68400. Structure annealed in 6 s, f = 1.89077. Structure annealed in 6 s, f = 1.75769. Structure annealed in 6 s, f = 23.7828. Structure annealed in 6 s, f = 2.89167. Structure annealed in 6 s, f = 2.36241. Structure annealed in 6 s, f = 2.58362. Structure annealed in 6 s, f = 1.90720. Structure annealed in 6 s, f = 2.58602. Structure annealed in 6 s, f = 2.21727. Structure annealed in 6 s, f = 1.79809. Structure annealed in 6 s, f = 2.30236. Structure annealed in 6 s, f = 4.92173. Structure annealed in 6 s, f = 1.75658. Structure annealed in 6 s, f = 2.01960. Structure annealed in 6 s, f = 1.69285. Structure annealed in 6 s, f = 2.35091. Structure annealed in 6 s, f = 1.86222. Structure annealed in 6 s, f = 4.65887. Structure annealed in 6 s, f = 1.80791. Structure annealed in 6 s, f = 1.87769. Structure annealed in 6 s, f = 2.49660. Structure annealed in 6 s, f = 1.77898. Structure annealed in 6 s, f = 4.54124. Structure annealed in 6 s, f = 5.39453. Structure annealed in 6 s, f = 2.02520. Structure annealed in 6 s, f = 1.43862. Structure annealed in 6 s, f = 1.86334. Structure annealed in 6 s, f = 1.75483. Structure annealed in 6 s, f = 1.92881. Structure annealed in 6 s, f = 1.85560. Structure annealed in 6 s, f = 1.77337. Structure annealed in 6 s, f = 1.94984. Structure annealed in 6 s, f = 1.72564. Structure annealed in 6 s, f = 2.16664. Structure annealed in 6 s, f = 1.64574. Structure annealed in 6 s, f = 1.84037. Structure annealed in 6 s, f = 1.88788. 100 structures finished in 62 s (0 s/structure). - bc019267: overview structures=20 range=50..78 cor full vdw 20 structures selected. Structural statistics: str target upper limits lower limits van der Waals torsion angles function # sum max # sum max # sum max # sum max 1 1.44 3 3.2 0.31 0 0.4 0.10 0 1.0 0.10 1 22.5 6.10 2 1.63 3 2.6 0.32 0 0.3 0.11 2 1.3 0.23 0 21.3 4.80 3 1.63 3 2.9 0.35 0 0.3 0.12 1 1.5 0.20 1 21.8 5.09 4 1.65 3 2.6 0.34 0 0.3 0.11 1 1.3 0.22 0 20.0 4.76 5 1.66 3 2.8 0.38 0 0.3 0.11 0 1.4 0.19 0 20.2 4.75 6 1.66 3 3.2 0.28 0 0.4 0.10 0 1.6 0.13 0 30.8 4.64 7 1.68 2 3.2 0.34 0 0.3 0.11 2 1.2 0.23 1 25.1 5.29 8 1.68 3 2.6 0.35 0 0.3 0.11 0 1.4 0.19 0 23.3 4.87 9 1.69 4 3.2 0.39 0 0.4 0.10 0 1.2 0.16 0 27.6 4.81 10 1.69 4 2.8 0.33 0 0.3 0.11 1 1.4 0.24 0 21.8 4.77 11 1.70 4 2.9 0.36 0 0.3 0.10 0 1.4 0.16 0 16.7 3.44 12 1.70 3 2.9 0.38 0 0.3 0.11 1 1.4 0.22 1 27.6 5.42 13 1.70 2 3.0 0.26 0 0.4 0.11 0 1.7 0.13 0 26.7 4.58 14 1.72 3 3.2 0.32 0 0.3 0.11 2 1.4 0.23 1 20.1 5.62 15 1.72 3 3.2 0.31 0 0.3 0.11 1 1.7 0.21 0 20.4 4.50 16 1.73 3 2.8 0.36 0 0.3 0.11 1 1.4 0.21 0 23.2 5.00 17 1.73 3 2.8 0.32 0 0.3 0.11 0 1.5 0.20 1 24.5 5.12 18 1.73 4 3.1 0.36 0 0.3 0.10 0 1.6 0.19 0 23.1 4.64 19 1.74 4 2.8 0.42 0 0.3 0.10 0 1.3 0.15 2 24.9 5.42 20 1.74 4 2.7 0.39 0 0.3 0.11 2 1.6 0.22 0 25.9 4.95 Ave 1.68 3 2.9 0.34 0 0.3 0.11 1 1.4 0.19 0 23.4 4.93 +/- 6.41E-02 1 0.2 0.04 0 0.0 0.01 1 0.2 0.04 1 3.2 0.52 Min 1.44 2 2.6 0.26 0 0.3 0.10 0 1.0 0.10 0 16.7 3.44 Max 1.74 4 3.2 0.42 0 0.4 0.12 2 1.7 0.24 2 30.8 6.10 Overview file "bc019267.ovw" written. DG coordinate file "bc019267.cor" written, 20 conformers. - bc019267: ramachandran file=rama.ps nobackground label Struct fav add gen dis ------ --- --- --- --- 1 25 4 0 0 2 24 5 0 0 3 24 5 0 0 4 25 4 0 0 5 25 4 0 0 6 26 3 0 0 7 24 5 0 0 8 24 4 1 0 9 25 3 1 0 10 25 4 0 0 11 24 5 0 0 12 23 6 0 0 13 24 5 0 0 14 24 5 0 0 15 27 2 0 0 16 24 5 0 0 17 25 4 0 0 18 25 4 0 0 19 25 4 0 0 20 24 5 0 0 all 85% 15% 0% 0% Postscript file "rama.ps" written. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 28-Jan-2005 14:40:40