30-Dec-2004 01:20:19 LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University ___________________________________________________________________ CYANA 1.0.6 (gnu-lam) Copyright (c) 2002 Peter Guntert Contains CANDID, copyright (c) 2002 Peter Guntert, Torsten Herrmann All rights reserved. ___________________________________________________________________ Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. Sequence file "bc019267.seq" read, 51 residues. cyana> cyana> cyana> - CANDID: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - CANDID: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID: candid peaks=n15no,c13no,c13noar prot=bc019267 calculation=ANNEAL ======================= Check ======================== - candid: peakcheck peaks=n15no,c13no,c13noar prot=bc019267 ------------------------------------------------------------ Peak list : n15no Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 483 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - peakcheck: atom shift unusual Atom shift limit1 - limit2 CD PRO 43 45.901 46.500 52.600 NE ARG+ 52 110.919 78.960 89.300 CG LEU 54 29.567 21.800 29.500 CB ARG+ 58 36.158 25.200 35.800 NE ARG+ 58 114.066 78.960 89.300 HZ PHE 60 5.889 6.190 7.630 CD1 ILE 61 28.079 8.000 18.000 HA LEU 66 2.860 3.130 5.790 CE1 HIS 69 141.656 126.600 140.400 CE LYS+ 76 44.735 38.700 44.100 10 shifts outside expected range. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks N LEU 45 121.488 121.509 2.440 18 HN LEU 45 7.508 7.503 0.356 18 2 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 33 2 0.356 HN LEU 45 33 3 2.440 N LEU 45 34 2 0.356 HN LEU 45 34 3 2.440 N LEU 45 35 2 0.356 HN LEU 45 35 3 2.440 N LEU 45 36 2 0.356 HN LEU 45 36 3 2.440 N LEU 45 37 2 0.356 HN LEU 45 37 3 2.440 N LEU 45 38 2 0.356 HN LEU 45 38 3 2.440 N LEU 45 12 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13no Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - peakcheck: read peaks c13no *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks CD PRO 43 45.901 51.011 5.115 4 CB PRO 43 32.966 32.463 8.254 4 HB2 PRO 43 2.347 2.333 0.201 6 HA ASP- 44 4.629 4.589 0.043 4 HB3 ASP- 44 2.554 2.718 0.174 4 HB2 PRO 46 1.655 1.610 0.048 7 CG PRO 46 27.876 27.581 1.120 5 HG3 PRO 46 2.045 1.988 0.186 8 HA2 GLY 47 4.149 4.183 0.040 3 HB3 LEU 50 1.265 1.301 0.045 12 HB2 HIS 51 3.288 3.278 0.592 7 HB3 ARG+ 52 1.473 1.440 0.033 16 HB3 LEU 54 1.660 1.857 0.788 10 CG LEU 54 29.567 27.872 1.695 4 CD2 LEU 54 26.821 23.416 3.405 4 CB ALA 55 19.278 60.965 41.687 4 CG ARG+ 58 26.977 21.811 5.166 1 HB3 TYR 59 2.567 2.678 0.136 3 CA PHE 60 56.870 57.405 0.535 1 CB PHE 60 42.549 43.162 0.613 22 HB2 PHE 60 2.879 2.562 0.317 12 CG2 ILE 61 18.763 18.253 0.510 14 CD1 ILE 61 28.079 14.086 14.003 5 HA SER 63 3.902 3.805 0.102 3 CA THR 64 66.998 57.728 9.270 2 CG2 THR 64 22.213 19.743 2.470 2 HB2 LEU 66 0.975 1.020 0.048 12 HB3 LEU 66 1.827 1.865 0.042 12 CG LEU 66 27.944 26.670 1.297 6 HA THR 68 3.808 3.825 0.031 6 CB THR 68 68.847 68.466 0.417 3 CG2 THR 68 22.338 21.852 0.486 2 CA HIS 69 60.757 60.054 0.731 3 CD ARG+ 71 43.731 44.133 0.402 6 CE LYS+ 76 44.735 42.383 2.352 1 CB LYS+ 77 32.072 32.506 0.434 2 HB3 LYS+ 77 1.895 1.926 0.032 4 HB3 ARG+ 78 1.959 2.022 0.065 6 HA LEU 82 4.289 4.317 0.037 6 CG LEU 82 26.086 25.682 0.404 4 QD2 LEU 82 0.931 0.925 0.049 6 CD2 LEU 82 22.896 25.030 2.134 3 CG2 VAL 84 21.106 62.584 41.478 3 43 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 39 1 -0.034 HB2 PRO 46 68 3 -5.166 CG ARG+ 58 74 1 0.031 HA THR 68 74 3 -0.486 CG2 THR 68 146 3 -2.470 CG2 THR 64 147 2 -0.089 HA SER 63 148 1 -0.102 HA SER 63 148 2 -0.097 HA SER 63 180 3 -0.731 CA HIS 69 181 3 -0.703 CA HIS 69 182 3 -0.669 CA HIS 69 187 1 0.032 HB3 LYS+ 77 191 3 -0.486 CG2 ILE 61 192 3 -0.510 CG2 ILE 61 195 3 -0.479 CG2 ILE 61 196 3 -0.462 CG2 ILE 61 316 1 0.041 HB3 LEU 50 325 3 -14.003 CD1 ILE 61 326 3 -13.993 CD1 ILE 61 329 3 -13.979 CD1 ILE 61 330 3 -13.971 CD1 ILE 61 335 1 0.174 HB3 ASP- 44 335 2 -0.040 HA ASP- 44 343 1 -0.592 HB2 HIS 51 397 3 5.105 CD PRO 43 406 3 5.115 CD PRO 43 420 2 0.034 HA2 GLY 47 539 1 0.173 HB3 ASP- 44 539 2 0.155 HB3 ASP- 44 540 1 0.111 HB3 TYR 59 540 2 0.136 HB3 TYR 59 582 1 -0.033 HB3 ARG+ 52 582 2 -0.033 HB3 ARG+ 52 634 3 -0.503 CB PRO 43 639 3 0.434 CB LYS+ 77 738 1 0.157 HG3 PRO 46 738 2 0.186 HG3 PRO 46 738 3 1.120 CG PRO 46 755 3 -1.695 CG LEU 54 768 2 -0.067 HG3 PRO 46 811 3 -0.417 CB THR 68 817 3 -1.250 CG LEU 66 818 3 -1.246 CG LEU 66 819 3 -1.297 CG LEU 66 881 1 -0.788 HB3 LEU 54 914 3 -3.405 CD2 LEU 54 915 3 -3.329 CD2 LEU 54 944 1 0.042 HB3 LEU 66 945 1 0.045 HB2 LEU 66 955 1 -0.048 HB2 PRO 46 956 1 -0.048 HB2 PRO 46 1018 2 0.045 HB3 LEU 50 1058 1 -0.043 HA ASP- 44 1058 2 0.155 HB3 ASP- 44 1109 2 0.197 HB3 LEU 54 1110 2 0.197 HB3 LEU 54 1111 1 0.042 HB3 LEU 66 1111 2 0.038 HB3 LEU 66 1115 2 0.038 HB3 LEU 66 1116 2 0.045 HB2 LEU 66 1120 2 0.038 HB3 LEU 66 1121 2 0.038 HB3 LEU 66 1122 2 0.038 HB3 LEU 66 1130 1 -0.044 QD2 LEU 82 1153 3 -13.993 CD1 ILE 61 1164 1 0.042 HB3 LEU 66 1164 3 -1.297 CG LEU 66 1165 3 -1.297 CG LEU 66 1167 1 0.042 HB3 LEU 66 1169 1 0.045 HB2 LEU 66 1169 2 0.048 HB2 LEU 66 1170 2 0.045 HB2 LEU 66 1171 2 0.045 HB2 LEU 66 1172 2 0.045 HB2 LEU 66 1175 3 -0.503 CB PRO 43 1201 1 -0.033 HB3 ARG+ 52 1202 2 -0.033 HB3 ARG+ 52 1203 1 -0.033 HB3 ARG+ 52 1203 2 -0.033 HB3 ARG+ 52 1204 2 -0.033 HB3 ARG+ 52 1205 2 -0.033 HB3 ARG+ 52 1206 2 -0.033 HB3 ARG+ 52 1207 2 -0.033 HB3 ARG+ 52 1208 2 -0.033 HB3 ARG+ 52 1210 1 -0.033 HB3 ARG+ 52 1252 3 41.687 CB ALA 55 1253 3 41.687 CB ALA 55 1256 1 0.032 HB3 LEU 50 1260 1 0.042 HB3 LEU 50 1272 1 0.041 HB3 LEU 50 1290 3 41.478 CG2 VAL 84 1291 3 41.478 CG2 VAL 84 1292 3 41.478 CG2 VAL 84 1295 3 -0.503 CB PRO 43 1305 3 5.105 CD PRO 43 1306 3 5.115 CD PRO 43 1309 1 -0.035 HA ASP- 44 1309 2 -0.040 HA ASP- 44 1311 1 0.201 HB2 PRO 43 1311 2 0.199 HB2 PRO 43 1311 3 8.254 CB PRO 43 1321 1 -0.045 HB2 PRO 46 1321 2 -0.044 HB2 PRO 46 1322 2 -0.044 HB2 PRO 46 1323 1 -0.045 HB2 PRO 46 1330 2 -0.060 HG3 PRO 46 1331 2 -0.060 HG3 PRO 46 1332 1 -0.054 HG3 PRO 46 1332 2 -0.060 HG3 PRO 46 1333 1 -0.045 HG3 PRO 46 1334 1 0.040 HA2 GLY 47 1334 2 0.034 HA2 GLY 47 1345 1 0.202 HB3 LEU 54 1345 2 0.197 HB3 LEU 54 1346 2 0.197 HB3 LEU 54 1349 1 0.205 HB3 LEU 54 1350 3 -3.405 CD2 LEU 54 1351 3 -3.405 CD2 LEU 54 1357 3 -1.695 CG LEU 54 1358 3 -1.695 CG LEU 54 1359 3 -1.695 CG LEU 54 1360 1 0.030 HA LEU 82 1365 1 0.036 QD2 LEU 82 1365 2 0.033 QD2 LEU 82 1365 3 2.134 CD2 LEU 82 1366 1 0.037 HA LEU 82 1366 2 0.033 QD2 LEU 82 1366 3 2.134 CD2 LEU 82 1367 3 -0.404 CG LEU 82 1368 3 -0.404 CG LEU 82 1371 1 -0.044 QD2 LEU 82 1371 2 -0.049 QD2 LEU 82 1371 3 0.520 CD2 LEU 82 1397 3 0.613 CB PHE 60 1398 3 0.613 CB PHE 60 1399 1 -0.315 HB2 PHE 60 1399 2 -0.317 HB2 PHE 60 1399 3 0.613 CB PHE 60 1400 3 0.535 CA PHE 60 1404 3 -9.270 CA THR 64 1405 3 -9.270 CA THR 64 1406 3 -2.470 CG2 THR 64 1417 3 -0.486 CG2 THR 68 1422 3 0.402 CD ARG+ 71 1423 3 0.402 CD ARG+ 71 1424 3 0.402 CD ARG+ 71 1425 3 0.402 CD ARG+ 71 1443 3 -2.352 CE LYS+ 76 1452 1 0.032 HB3 LYS+ 77 1452 2 0.030 HB3 LYS+ 77 1452 3 0.434 CB LYS+ 77 1456 1 0.065 HB3 ARG+ 78 1456 2 0.063 HB3 ARG+ 78 1457 2 0.062 HB3 ARG+ 78 1462 1 0.065 HB3 ARG+ 78 1463 2 0.063 HB3 ARG+ 78 1464 2 0.063 HB3 ARG+ 78 1558 3 41.687 CB ALA 55 1560 3 41.687 CB ALA 55 1567 3 -0.510 CG2 ILE 61 1568 3 -0.510 CG2 ILE 61 1569 3 -0.510 CG2 ILE 61 1570 3 -0.510 CG2 ILE 61 1571 3 -0.510 CG2 ILE 61 1572 3 -0.510 CG2 ILE 61 1573 3 -0.510 CG2 ILE 61 1574 3 -0.510 CG2 ILE 61 1575 3 -0.510 CG2 ILE 61 1576 3 -0.510 CG2 ILE 61 1606 3 0.402 CD ARG+ 71 1607 3 0.402 CD ARG+ 71 1638 2 0.197 HB3 LEU 54 1639 2 0.197 HB3 LEU 54 1642 2 0.038 HB3 LEU 66 1643 2 0.038 HB3 LEU 66 1644 2 0.038 HB3 LEU 66 1646 2 0.045 HB2 LEU 66 1647 3 -1.250 CG LEU 66 1650 2 0.045 HB2 LEU 66 1651 2 0.045 HB2 LEU 66 1655 2 0.045 HB2 LEU 66 1665 2 0.045 HB3 LEU 50 1666 2 0.045 HB3 LEU 50 1680 3 -0.404 CG LEU 82 1686 3 -0.404 CG LEU 82 1697 3 0.613 CB PHE 60 1698 2 -0.317 HB2 PHE 60 1698 3 0.613 CB PHE 60 1699 3 0.613 CB PHE 60 1700 2 -0.317 HB2 PHE 60 1700 3 0.613 CB PHE 60 1721 2 0.197 HB3 LEU 54 1741 3 0.613 CB PHE 60 1742 3 0.613 CB PHE 60 1743 3 0.613 CB PHE 60 1744 2 -0.317 HB2 PHE 60 1744 3 0.613 CB PHE 60 1745 2 -0.317 HB2 PHE 60 1745 3 0.613 CB PHE 60 1746 2 -0.317 HB2 PHE 60 1746 3 0.613 CB PHE 60 1747 3 0.613 CB PHE 60 1748 3 0.613 CB PHE 60 1749 2 -0.317 HB2 PHE 60 1749 3 0.613 CB PHE 60 1750 2 -0.317 HB2 PHE 60 1750 3 0.613 CB PHE 60 1751 3 0.613 CB PHE 60 1752 2 -0.317 HB2 PHE 60 1752 3 0.613 CB PHE 60 1867 2 -0.033 HB3 ARG+ 52 1868 2 -0.033 HB3 ARG+ 52 1870 2 -0.033 HB3 ARG+ 52 1871 2 -0.033 HB3 ARG+ 52 1874 2 0.045 HB2 LEU 66 1876 2 -0.317 HB2 PHE 60 1876 3 0.613 CB PHE 60 1877 2 -0.317 HB2 PHE 60 1877 3 0.613 CB PHE 60 1878 3 0.613 CB PHE 60 220 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13noar Proton list: bc019267 - peakcheck: read prot bc019267 unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - peakcheck: read peaks c13noar *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks CE1 HIS 69 141.656 140.827 1.658 2 HE1 HIS 69 8.291 8.320 0.058 4 2 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 3 1 0.058 HE1 HIS 69 3 2 0.058 HE1 HIS 69 3 3 -1.658 CE1 HIS 69 3 deviations larger than tolerance. =================== CANDID cycle 1 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1879 of 4791 assignments selected. - candid:standard: atom calibrate * peaklist=1 dref=4.0 Calibration constant 1.93E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 444 upper limits added, 0/47 at lower/upper bound, average 4.03 A. - candid: write upl n15no-cycle1.upl Distance constraint file "n15no-cycle1.upl" written, 444 upper limits, 1284 assignments. - candid: caltab Distance constraints: -2.99 A: 9 2.0% 3.00-3.99 A: 241 54.3% 4.00-4.99 A: 146 32.9% 5.00-5.99 A: 48 10.8% 6.00- A: 0 0.0% All: 444 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 2501 of 4791 assignments selected. - candid:standard: atom calibrate * peaklist=2 dref=4.0 Calibration constant 4.60E+06 set for 964 atoms. - candid: peaks calibrate " ** list=2" 516 upper limits added, 7/169 at lower/upper bound, average 4.30 A. - candid: write upl c13no-cycle1.upl Distance constraint file "c13no-cycle1.upl" written, 516 upper limits, 1444 assignments. - candid: caltab Distance constraints: -2.99 A: 48 9.3% 3.00-3.99 A: 191 37.0% 4.00-4.99 A: 98 19.0% 5.00-5.99 A: 179 34.7% 6.00- A: 0 0.0% All: 516 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 411 of 4791 assignments selected. - candid:standard: atom calibrate * peaklist=3 dref=4.0 Calibration constant 2.91E+06 set for 964 atoms. - candid: peaks calibrate " ** list=3" 92 upper limits added, 2/0 at lower/upper bound, average 3.50 A. - candid: write upl c13noar-cycle1.upl Distance constraint file "c13noar-cycle1.upl" written, 92 upper limits, 278 assignments. - candid: caltab Distance constraints: -2.99 A: 11 12.0% 3.00-3.99 A: 70 76.1% 4.00-4.99 A: 11 12.0% 5.00-5.99 A: 0 0.0% 6.00- A: 0 0.0% All: 92 100.0% - candid: distance delete 278 distance constraints deleted. - candid: read upl n15no-cycle1.upl append Distance constraint file "n15no-cycle1.upl" read, 444 upper limits, 1284 assignments. - candid: read upl c13no-cycle1.upl append Distance constraint file "c13no-cycle1.upl" read, 516 upper limits, 1444 assignments. - candid: distance unique 45 duplicate distance constraints deleted. - candid: read upl c13noar-cycle1.upl append Distance constraint file "c13noar-cycle1.upl" read, 92 upper limits, 278 assignments. - candid: distance unique 3 duplicate distance constraints deleted. - candid: distance select "*, * levels=4.. multiple=ifall" 130 of 1004 distance constraints, 327 of 2909 assignments selected. - candid: distance combine support=0.0..10000.0 combination=advanced 130 constraints: 2 unchanged, 128 combined, 0 deleted. - candid: distance select "*, *" 1004 of 1004 distance constraints, 3269 of 3269 assignments selected. - candid: distance multiple 315 distance constraints deleted. - candid: write upl cycle1.upl Distance constraint file "cycle1.upl" written, 689 upper limits, 2458 assignments. - candid: caltab Distance constraints: -2.99 A: 50 7.3% 3.00-3.99 A: 354 51.4% 4.00-4.99 A: 176 25.5% 5.00-5.99 A: 109 15.8% 6.00- A: 0 0.0% All: 689 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle1.upl Distance constraint file "cycle1.upl" read, 689 upper limits, 2458 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 17 s, f = 110.727. Structure annealed in 16 s, f = 153.011. Structure annealed in 16 s, f = 127.017. Structure annealed in 17 s, f = 147.324. Structure annealed in 16 s, f = 151.447. Structure annealed in 17 s, f = 135.384. Structure annealed in 16 s, f = 139.416. Structure annealed in 16 s, f = 205.449. Structure annealed in 16 s, f = 197.170. Structure annealed in 16 s, f = 138.642. Structure annealed in 16 s, f = 113.436. Structure annealed in 16 s, f = 120.206. Structure annealed in 17 s, f = 189.359. Structure annealed in 16 s, f = 165.444. Structure annealed in 17 s, f = 180.501. Structure annealed in 17 s, f = 193.544. Structure annealed in 16 s, f = 157.814. Structure annealed in 16 s, f = 166.326. Structure annealed in 16 s, f = 127.000. Structure annealed in 16 s, f = 113.796. Structure annealed in 17 s, f = 137.083. Structure annealed in 16 s, f = 150.588. Structure annealed in 17 s, f = 190.724. Structure annealed in 16 s, f = 134.822. Structure annealed in 16 s, f = 104.261. Structure annealed in 17 s, f = 162.610. Structure annealed in 16 s, f = 145.100. Structure annealed in 17 s, f = 152.518. Structure annealed in 17 s, f = 117.507. Structure annealed in 16 s, f = 169.215. Structure annealed in 16 s, f = 146.642. Structure annealed in 16 s, f = 193.068. Structure annealed in 16 s, f = 142.937. Structure annealed in 16 s, f = 159.099. Structure annealed in 16 s, f = 113.226. Structure annealed in 17 s, f = 138.500. Structure annealed in 16 s, f = 128.343. Structure annealed in 17 s, f = 139.668. Structure annealed in 17 s, f = 126.425. Structure annealed in 17 s, f = 161.438. Structure annealed in 16 s, f = 144.468. Structure annealed in 17 s, f = 172.741. Structure annealed in 16 s, f = 155.012. Structure annealed in 16 s, f = 140.004. Structure annealed in 16 s, f = 138.580. Structure annealed in 17 s, f = 198.831. Structure annealed in 17 s, f = 168.394. Structure annealed in 17 s, f = 158.593. Structure annealed in 16 s, f = 155.824. Structure annealed in 16 s, f = 151.387. Structure annealed in 16 s, f = 141.646. Structure annealed in 16 s, f = 151.512. Structure annealed in 17 s, f = 141.686. Structure annealed in 17 s, f = 129.972. Structure annealed in 17 s, f = 149.279. Structure annealed in 16 s, f = 149.272. Structure annealed in 16 s, f = 134.771. Structure annealed in 16 s, f = 140.120. Structure annealed in 16 s, f = 129.245. Structure annealed in 16 s, f = 147.631. Structure annealed in 17 s, f = 153.864. Structure annealed in 17 s, f = 149.649. Structure annealed in 16 s, f = 145.985. Structure annealed in 17 s, f = 139.003. Structure annealed in 16 s, f = 130.827. Structure annealed in 16 s, f = 148.117. Structure annealed in 17 s, f = 138.973. Structure annealed in 16 s, f = 156.132. Structure annealed in 16 s, f = 161.392. Structure annealed in 17 s, f = 148.652. Structure annealed in 17 s, f = 132.612. Structure annealed in 17 s, f = 169.725. Structure annealed in 16 s, f = 148.395. Structure annealed in 16 s, f = 160.461. Structure annealed in 17 s, f = 180.989. Structure annealed in 16 s, f = 136.973. Structure annealed in 16 s, f = 158.551. Structure annealed in 16 s, f = 173.636. Structure annealed in 17 s, f = 129.140. Structure annealed in 17 s, f = 138.845. Structure annealed in 16 s, f = 183.612. Structure annealed in 16 s, f = 129.286. Structure annealed in 16 s, f = 113.603. Structure annealed in 17 s, f = 158.073. Structure annealed in 16 s, f = 136.886. Structure annealed in 16 s, f = 139.046. Structure annealed in 17 s, f = 168.828. Structure annealed in 17 s, f = 169.875. Structure annealed in 16 s, f = 162.689. Structure annealed in 16 s, f = 165.773. Structure annealed in 16 s, f = 160.645. Structure annealed in 16 s, f = 146.631. Structure annealed in 16 s, f = 151.690. Structure annealed in 17 s, f = 153.889. Structure annealed in 17 s, f = 135.827. Structure annealed in 17 s, f = 163.212. Structure annealed in 15 s, f = 134.475. Structure annealed in 15 s, f = 163.280. Structure annealed in 15 s, f = 188.435. Structure annealed in 15 s, f = 157.105. 100 structures finished in 214 s (2 s/structure). - CANDID:ANNEAL: overview cycle1 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 104.26 2 91.7 1.72 77 47.9 0.64 25 346.7 47.21 2 110.73 6 89.4 1.70 85 49.0 0.74 25 406.4 52.56 3 113.23 7 84.6 2.25 105 57.4 0.87 27 392.3 29.16 4 113.44 9 91.6 2.05 89 51.1 0.62 21 306.3 35.80 5 113.60 7 90.4 2.05 87 51.1 0.61 27 490.1 49.01 6 113.80 4 91.2 2.50 84 47.8 0.65 31 435.3 37.45 7 117.49 6 90.6 2.82 79 50.5 1.01 26 396.4 59.61 8 120.21 8 98.8 2.09 88 47.3 0.82 22 345.1 45.38 9 126.42 3 96.2 2.09 95 54.7 0.80 25 502.9 64.04 10 127.00 6 95.6 2.14 83 48.8 0.72 26 471.5 64.25 11 127.02 10 98.7 1.97 71 46.5 0.64 29 492.9 45.56 12 128.34 1 100.0 1.88 105 60.3 0.91 31 498.4 65.18 13 129.14 7 101.5 1.99 95 48.2 0.48 31 568.9 51.25 14 129.25 7 95.7 2.66 96 55.0 1.17 26 452.6 52.54 15 129.29 5 89.7 3.02 79 45.6 0.72 28 549.6 68.91 16 129.97 5 98.2 2.16 83 48.7 0.75 25 510.3 61.80 17 130.83 7 96.0 1.96 78 49.5 0.77 25 594.4 59.61 18 132.61 5 90.2 2.02 98 52.7 0.93 37 688.6 47.71 19 134.48 8 103.7 2.57 78 48.6 0.71 28 524.1 45.03 20 134.77 8 98.9 1.88 107 56.2 0.74 34 536.8 51.06 Ave 123.29 6 94.6 2.18 88 50.8 0.76 27 475.5 51.66 +/- 8.83 2 4.8 0.35 10 3.9 0.15 4 90.9 10.36 Min 104.26 1 84.6 1.70 71 45.6 0.48 21 306.3 29.16 Max 134.77 10 103.7 3.02 107 60.3 1.17 37 688.6 68.91 Overview file "cycle1.ovw" written. DG coordinate file "cycle1.cor" written, 20 conformers. =================== CANDID cycle 2 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle1.cor DG coordinate file "cycle1.cor" read, 20 conformers. - candid: read upl cycle1.upl Distance constraint file "cycle1.upl" read, 689 upper limits, 2458 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0 0 quality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 179 with multiple volume contributions : 339 eliminated by violation filter : 0 Peaks: selected : 1036 without assignment : 515 with assignment : 521 with unique assignment : 216 with multiple assignment : 305 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 521 Atoms with eliminated volume contribution > 2.5: HN GLY 47 3.0 HN ARG+ 52 3.0 HN ALA 55 3.0 HN ALA 57 5.0 HN ARG+ 71 3.2 HG3 ARG+ 71 3.3 HN GLU- 85 4.7 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 206 with multiple volume contributions : 388 eliminated by violation filter : 0 Peaks: selected : 1508 without assignment : 816 with assignment : 692 with unique assignment : 306 with multiple assignment : 386 with reference assignment : 446 with identical reference assignment : 183 with compatible reference assignment : 151 with incompatible reference assignment : 31 with additional reference assignment : 81 with additional assignment : 327 Atoms with eliminated volume contribution > 2.5: HA PRO 46 2.7 HB3 PRO 46 4.0 HG3 PRO 46 2.7 HB2 PHE 60 4.9 HA ASN 65 3.1 HB3 ASN 65 5.0 HA LEU 82 2.5 HB2 LEU 82 2.8 HB VAL 84 3.0 QG2 VAL 84 3.0 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 31 with multiple volume contributions : 67 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 122 with assignment : 103 with unique assignment : 39 with multiple assignment : 64 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 91 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 3.0 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1643 of 4366 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 5.81E+08 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 2336 of 4366 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 5.71E+06 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 387 of 4366 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 4.97E+07 set for 964 atoms. - candid: peaks unassign ** Assignment of 4366 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1535 of 4127 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 4.63E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 444 upper limits added, 0/54 at lower/upper bound, average 4.57 A. - candid: write upl n15no-cycle2.upl Distance constraint file "n15no-cycle2.upl" written, 444 upper limits, 940 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 72 16.2% 4.00-4.99 A: 263 59.2% 5.00-5.99 A: 109 24.5% 6.00- A: 0 0.0% All: 444 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 2209 of 4127 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 6.02E+06 set for 964 atoms. - candid: peaks calibrate " ** list=2" 513 upper limits added, 5/174 at lower/upper bound, average 4.44 A. - candid: write upl c13no-cycle2.upl Distance constraint file "c13no-cycle2.upl" written, 513 upper limits, 1149 assignments. - candid: caltab Distance constraints: -2.99 A: 35 6.8% 3.00-3.99 A: 166 32.4% 4.00-4.99 A: 122 23.8% 5.00-5.99 A: 190 37.0% 6.00- A: 0 0.0% All: 513 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 383 of 4127 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 4.52E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 92 upper limits added, 0/50 at lower/upper bound, average 5.23 A. - candid: write upl c13noar-cycle2.upl Distance constraint file "c13noar-cycle2.upl" written, 92 upper limits, 250 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 4 4.3% 4.00-4.99 A: 12 13.0% 5.00-5.99 A: 76 82.6% 6.00- A: 0 0.0% All: 92 100.0% - candid: distance delete 250 distance constraints deleted. - candid: read upl n15no-cycle2.upl append Distance constraint file "n15no-cycle2.upl" read, 444 upper limits, 940 assignments. - candid: read upl c13no-cycle2.upl append Distance constraint file "c13no-cycle2.upl" read, 513 upper limits, 1149 assignments. - candid: distance unique 93 duplicate distance constraints deleted. - candid: read upl c13noar-cycle2.upl append Distance constraint file "c13noar-cycle2.upl" read, 92 upper limits, 250 assignments. - candid: distance unique 3 duplicate distance constraints deleted. - candid: distance select "*, * levels=4.. multiple=ifall" 107 of 953 distance constraints, 242 of 2196 assignments selected. - candid: distance combine support=0.0..10000.0 combination=advanced equal 107 constraints: 3 unchanged, 104 combined, 0 deleted. - candid: distance select "*, *" 953 of 953 distance constraints, 2425 of 2425 assignments selected. - candid: distance multiple 326 distance constraints deleted. - candid: write upl cycle2.upl Distance constraint file "cycle2.upl" written, 627 upper limits, 1783 assignments. - candid: caltab Distance constraints: -2.99 A: 22 3.5% 3.00-3.99 A: 120 19.1% 4.00-4.99 A: 290 46.3% 5.00-5.99 A: 195 31.1% 6.00- A: 0 0.0% All: 627 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle2.upl Distance constraint file "cycle2.upl" read, 627 upper limits, 1783 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 13 s, f = 38.8655. Structure annealed in 13 s, f = 51.9602. Structure annealed in 13 s, f = 48.7754. Structure annealed in 13 s, f = 49.7296. Structure annealed in 13 s, f = 50.5866. Structure annealed in 13 s, f = 40.6487. Structure annealed in 13 s, f = 73.3137. Structure annealed in 13 s, f = 43.1162. Structure annealed in 13 s, f = 38.4609. Structure annealed in 13 s, f = 39.8483. Structure annealed in 13 s, f = 49.1739. Structure annealed in 13 s, f = 43.9487. Structure annealed in 13 s, f = 70.0497. Structure annealed in 13 s, f = 51.4509. Structure annealed in 13 s, f = 43.8572. Structure annealed in 13 s, f = 31.8735. Structure annealed in 13 s, f = 46.8443. Structure annealed in 13 s, f = 43.8958. Structure annealed in 13 s, f = 54.6844. Structure annealed in 13 s, f = 41.3067. Structure annealed in 13 s, f = 52.9097. Structure annealed in 13 s, f = 68.3601. Structure annealed in 13 s, f = 39.5244. Structure annealed in 13 s, f = 57.5343. Structure annealed in 13 s, f = 59.9231. Structure annealed in 13 s, f = 55.7174. Structure annealed in 13 s, f = 40.9804. Structure annealed in 13 s, f = 34.8374. Structure annealed in 13 s, f = 43.8456. Structure annealed in 13 s, f = 50.6276. Structure annealed in 13 s, f = 53.8766. Structure annealed in 13 s, f = 32.6577. Structure annealed in 13 s, f = 48.0008. Structure annealed in 13 s, f = 40.8269. Structure annealed in 13 s, f = 49.2712. Structure annealed in 13 s, f = 65.5717. Structure annealed in 13 s, f = 43.8573. Structure annealed in 13 s, f = 42.4892. Structure annealed in 13 s, f = 36.9963. Structure annealed in 13 s, f = 46.7985. Structure annealed in 13 s, f = 80.7535. Structure annealed in 13 s, f = 67.8113. Structure annealed in 13 s, f = 41.1946. Structure annealed in 13 s, f = 41.7744. Structure annealed in 13 s, f = 43.2901. Structure annealed in 13 s, f = 45.6921. Structure annealed in 13 s, f = 58.5912. Structure annealed in 13 s, f = 42.4608. Structure annealed in 13 s, f = 32.2965. Structure annealed in 13 s, f = 45.0668. Structure annealed in 13 s, f = 51.6323. Structure annealed in 13 s, f = 46.9258. Structure annealed in 13 s, f = 57.6631. Structure annealed in 13 s, f = 47.4936. Structure annealed in 13 s, f = 39.1557. Structure annealed in 13 s, f = 43.1674. Structure annealed in 13 s, f = 53.5634. Structure annealed in 13 s, f = 43.1156. Structure annealed in 13 s, f = 42.4616. Structure annealed in 13 s, f = 57.8707. Structure annealed in 13 s, f = 28.8621. Structure annealed in 13 s, f = 46.1889. Structure annealed in 13 s, f = 47.7729. Structure annealed in 13 s, f = 49.0419. Structure annealed in 13 s, f = 27.8520. Structure annealed in 13 s, f = 50.2465. Structure annealed in 13 s, f = 63.5077. Structure annealed in 13 s, f = 41.0452. Structure annealed in 13 s, f = 49.1223. Structure annealed in 13 s, f = 71.0452. Structure annealed in 13 s, f = 36.8334. Structure annealed in 13 s, f = 66.4288. Structure annealed in 13 s, f = 35.5669. Structure annealed in 13 s, f = 37.4656. Structure annealed in 13 s, f = 70.9190. Structure annealed in 13 s, f = 53.8402. Structure annealed in 13 s, f = 46.1635. Structure annealed in 13 s, f = 46.6895. Structure annealed in 13 s, f = 40.0197. Structure annealed in 13 s, f = 42.3035. Structure annealed in 13 s, f = 36.6539. Structure annealed in 13 s, f = 43.0493. Structure annealed in 13 s, f = 50.8388. Structure annealed in 13 s, f = 38.0971. Structure annealed in 13 s, f = 59.7167. Structure annealed in 13 s, f = 49.5896. Structure annealed in 13 s, f = 52.5602. Structure annealed in 13 s, f = 48.4175. Structure annealed in 13 s, f = 45.4995. Structure annealed in 13 s, f = 46.2921. Structure annealed in 13 s, f = 40.3070. Structure annealed in 13 s, f = 65.9543. Structure annealed in 13 s, f = 31.1614. Structure annealed in 13 s, f = 50.8219. Structure annealed in 13 s, f = 51.1493. Structure annealed in 13 s, f = 31.8198. Structure annealed in 13 s, f = 33.4113. Structure annealed in 13 s, f = 38.8920. Structure annealed in 12 s, f = 40.2981. Structure annealed in 12 s, f = 30.2516. 100 structures finished in 169 s (1 s/structure). - CANDID:ANNEAL: overview cycle2 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 27.85 5 29.8 1.63 24 20.2 0.43 22 257.4 28.71 2 28.86 6 33.6 1.68 16 16.6 0.41 19 250.5 28.11 3 30.25 8 35.0 1.66 14 13.0 0.41 18 233.6 22.81 4 31.16 5 34.8 1.67 18 18.7 0.48 23 292.2 29.00 5 31.80 9 33.2 1.61 21 20.5 0.40 22 253.4 28.23 6 31.87 6 33.5 1.63 21 21.2 0.45 14 221.0 38.78 7 32.30 6 34.4 1.68 27 21.8 0.42 24 245.2 24.41 8 32.66 4 35.3 1.52 19 19.6 0.53 16 248.1 50.37 9 33.41 6 33.3 1.40 21 20.8 0.46 27 360.1 33.61 10 34.84 6 35.6 1.70 33 23.5 0.41 14 239.3 26.25 11 35.57 7 39.1 1.84 28 21.8 0.37 17 222.0 23.68 12 36.65 4 36.6 1.60 24 19.8 0.43 22 345.3 35.98 13 36.83 6 37.8 1.73 18 17.3 0.42 19 306.6 63.43 14 37.00 9 35.6 1.61 35 26.0 0.49 26 301.9 30.38 15 37.47 6 37.6 1.76 26 23.9 0.52 23 327.7 27.53 16 38.10 7 37.8 2.06 30 21.8 0.54 13 225.1 40.31 17 38.46 7 40.2 1.35 26 21.5 0.67 18 295.7 44.81 18 38.87 6 38.9 1.64 26 23.0 0.57 18 257.8 50.32 19 38.89 9 40.5 1.54 21 19.6 0.66 19 276.8 48.74 20 39.16 7 39.0 1.65 30 22.7 0.56 21 290.6 37.93 Ave 34.60 6 36.1 1.65 24 20.7 0.48 20 272.5 35.67 +/- 3.49 1 2.7 0.14 6 2.8 0.08 4 40.0 10.77 Min 27.85 4 29.8 1.35 14 13.0 0.37 13 221.0 22.81 Max 39.16 9 40.5 2.06 35 26.0 0.67 27 360.1 63.43 Overview file "cycle2.ovw" written. DG coordinate file "cycle2.cor" written, 20 conformers. =================== CANDID cycle 3 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle2.cor DG coordinate file "cycle2.cor" read, 20 conformers. - candid: read upl cycle2.upl Distance constraint file "cycle2.upl" read, 627 upper limits, 1783 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75 quality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 301 with multiple volume contributions : 217 eliminated by violation filter : 0 Peaks: selected : 1036 without assignment : 505 with assignment : 531 with unique assignment : 334 with multiple assignment : 197 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 531 Atoms with eliminated volume contribution > 2.5: HN GLY 47 3.0 HN ALA 55 3.0 HG3 ARG+ 71 3.0 HN HIS 75 3.0 HN GLU- 85 3.0 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 344 with multiple volume contributions : 250 eliminated by violation filter : 0 Peaks: selected : 1508 without assignment : 810 with assignment : 698 with unique assignment : 443 with multiple assignment : 255 with reference assignment : 446 with identical reference assignment : 237 with compatible reference assignment : 96 with incompatible reference assignment : 34 with additional reference assignment : 79 with additional assignment : 331 Atoms with eliminated volume contribution > 2.5: HB3 PRO 46 3.0 HG3 PRO 46 2.8 HB2 PHE 60 4.7 HA ASN 65 3.2 HB3 ASN 65 5.0 HA LEU 82 2.7 HB VAL 84 3.0 QG2 VAL 84 3.0 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 37 with multiple volume contributions : 61 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 121 with assignment : 104 with unique assignment : 45 with multiple assignment : 59 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 92 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 3.0 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1313 of 3556 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 8.49E+08 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1914 of 3556 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 9.13E+06 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 329 of 3556 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 8.46E+07 set for 964 atoms. - candid: peaks unassign ** Assignment of 3556 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1273 of 3451 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 5.17E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 438 upper limits added, 0/56 at lower/upper bound, average 4.64 A. - candid: write upl n15no-cycle3.upl Distance constraint file "n15no-cycle3.upl" written, 438 upper limits, 672 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 58 13.2% 4.00-4.99 A: 250 57.1% 5.00-5.99 A: 130 29.7% 6.00- A: 0 0.0% All: 438 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1862 of 3451 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 5.41E+06 set for 964 atoms. - candid: peaks calibrate " ** list=2" 512 upper limits added, 6/172 at lower/upper bound, average 4.40 A. - candid: write upl c13no-cycle3.upl Distance constraint file "c13no-cycle3.upl" written, 512 upper limits, 801 assignments. - candid: caltab Distance constraints: -2.99 A: 36 7.0% 3.00-3.99 A: 175 34.2% 4.00-4.99 A: 115 22.5% 5.00-5.99 A: 186 36.3% 6.00- A: 0 0.0% All: 512 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 316 of 3451 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 3.82E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 86 upper limits added, 0/36 at lower/upper bound, average 5.15 A. - candid: write upl c13noar-cycle3.upl Distance constraint file "c13noar-cycle3.upl" written, 86 upper limits, 177 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 5 5.8% 4.00-4.99 A: 16 18.6% 5.00-5.99 A: 65 75.6% 6.00- A: 0 0.0% All: 86 100.0% - candid: distance delete 177 distance constraints deleted. - candid: read upl n15no-cycle3.upl append Distance constraint file "n15no-cycle3.upl" read, 438 upper limits, 672 assignments. - candid: read upl c13no-cycle3.upl append Distance constraint file "c13no-cycle3.upl" read, 512 upper limits, 801 assignments. - candid: distance unique 143 duplicate distance constraints deleted. - candid: read upl c13noar-cycle3.upl append Distance constraint file "c13noar-cycle3.upl" read, 86 upper limits, 177 assignments. - candid: distance unique 5 duplicate distance constraints deleted. - candid: distance multiple 301 distance constraints deleted. - candid: write upl cycle3.upl Distance constraint file "cycle3.upl" written, 587 upper limits, 1033 assignments. - candid: caltab Distance constraints: -2.99 A: 19 3.2% 3.00-3.99 A: 96 16.4% 4.00-4.99 A: 215 36.6% 5.00-5.99 A: 257 43.8% 6.00- A: 0 0.0% All: 587 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle3.upl Distance constraint file "cycle3.upl" read, 587 upper limits, 1033 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 11 s, f = 46.4967. Structure annealed in 11 s, f = 52.4379. Structure annealed in 11 s, f = 76.5824. Structure annealed in 11 s, f = 54.9899. Structure annealed in 11 s, f = 64.3616. Structure annealed in 11 s, f = 51.3205. Structure annealed in 11 s, f = 78.9875. Structure annealed in 11 s, f = 76.1858. Structure annealed in 11 s, f = 81.2253. Structure annealed in 11 s, f = 43.1076. Structure annealed in 11 s, f = 84.7563. Structure annealed in 11 s, f = 44.9237. Structure annealed in 11 s, f = 54.1007. Structure annealed in 11 s, f = 56.7964. Structure annealed in 11 s, f = 48.3524. Structure annealed in 11 s, f = 81.5506. Structure annealed in 11 s, f = 58.4733. Structure annealed in 11 s, f = 78.3822. Structure annealed in 11 s, f = 80.2045. Structure annealed in 12 s, f = 97.7867. Structure annealed in 11 s, f = 50.3114. Structure annealed in 11 s, f = 89.7701. Structure annealed in 11 s, f = 48.8177. Structure annealed in 11 s, f = 95.0242. Structure annealed in 11 s, f = 47.4597. Structure annealed in 11 s, f = 84.0542. Structure annealed in 11 s, f = 74.9349. Structure annealed in 11 s, f = 53.1668. Structure annealed in 11 s, f = 49.6227. Structure annealed in 11 s, f = 47.3331. Structure annealed in 11 s, f = 72.9036. Structure annealed in 11 s, f = 56.6060. Structure annealed in 11 s, f = 66.9497. Structure annealed in 11 s, f = 65.2640. Structure annealed in 11 s, f = 72.3936. Structure annealed in 11 s, f = 51.9127. Structure annealed in 11 s, f = 59.5619. Structure annealed in 11 s, f = 40.3388. Structure annealed in 11 s, f = 44.8844. Structure annealed in 11 s, f = 39.4073. Structure annealed in 11 s, f = 53.1772. Structure annealed in 11 s, f = 72.3029. Structure annealed in 11 s, f = 74.8904. Structure annealed in 11 s, f = 44.2669. Structure annealed in 11 s, f = 70.2855. Structure annealed in 11 s, f = 84.9236. Structure annealed in 11 s, f = 41.8379. Structure annealed in 11 s, f = 70.2147. Structure annealed in 11 s, f = 45.1866. Structure annealed in 11 s, f = 62.2467. Structure annealed in 11 s, f = 66.5591. Structure annealed in 11 s, f = 52.2241. Structure annealed in 11 s, f = 70.2487. Structure annealed in 11 s, f = 62.9216. Structure annealed in 11 s, f = 58.0247. Structure annealed in 11 s, f = 70.9727. Structure annealed in 11 s, f = 69.1821. Structure annealed in 11 s, f = 94.3463. Structure annealed in 11 s, f = 74.4375. Structure annealed in 11 s, f = 84.8043. Structure annealed in 11 s, f = 77.8779. Structure annealed in 11 s, f = 46.4650. Structure annealed in 11 s, f = 77.7781. Structure annealed in 11 s, f = 46.1004. Structure annealed in 11 s, f = 60.1405. Structure annealed in 11 s, f = 84.4364. Structure annealed in 11 s, f = 70.8111. Structure annealed in 11 s, f = 56.2977. Structure annealed in 11 s, f = 44.7459. Structure annealed in 11 s, f = 43.1729. Structure annealed in 11 s, f = 59.6432. Structure annealed in 11 s, f = 54.6477. Structure annealed in 11 s, f = 79.9663. Structure annealed in 11 s, f = 64.8994. Structure annealed in 11 s, f = 46.3637. Structure annealed in 11 s, f = 47.0021. Structure annealed in 11 s, f = 68.9995. Structure annealed in 11 s, f = 58.6935. Structure annealed in 11 s, f = 52.8209. Structure annealed in 11 s, f = 59.9175. Structure annealed in 11 s, f = 67.1394. Structure annealed in 11 s, f = 74.0086. Structure annealed in 11 s, f = 65.5161. Structure annealed in 11 s, f = 95.3985. Structure annealed in 11 s, f = 43.5677. Structure annealed in 11 s, f = 56.9689. Structure annealed in 11 s, f = 72.1984. Structure annealed in 11 s, f = 78.1227. Structure annealed in 11 s, f = 47.6626. Structure annealed in 11 s, f = 79.6484. Structure annealed in 11 s, f = 58.2909. Structure annealed in 11 s, f = 47.9951. Structure annealed in 11 s, f = 47.3425. Structure annealed in 11 s, f = 48.7783. Structure annealed in 11 s, f = 56.9284. Structure annealed in 11 s, f = 46.3639. Structure annealed in 11 s, f = 64.3250. Structure annealed in 11 s, f = 98.3082. Structure annealed in 11 s, f = 141.828. Structure annealed in 11 s, f = 78.2767. 100 structures finished in 147 s (1 s/structure). - CANDID:ANNEAL: overview cycle3 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 39.41 23 40.0 1.47 32 25.2 0.43 21 261.3 34.42 2 40.34 20 40.8 1.82 41 27.6 0.55 19 264.8 24.84 3 41.84 24 39.2 1.44 27 25.5 0.49 24 319.3 31.79 4 43.11 21 42.1 1.68 37 28.8 0.48 17 270.4 26.38 5 43.17 22 42.9 1.58 27 26.6 0.67 20 246.8 24.58 6 43.57 28 43.8 1.48 29 26.7 0.52 21 245.8 32.60 7 44.27 24 41.2 1.60 44 28.4 0.50 26 265.2 31.16 8 44.75 25 44.4 1.71 34 28.6 0.58 20 256.4 32.29 9 44.88 26 44.0 1.65 39 25.0 0.38 19 259.2 26.15 10 44.92 22 42.5 1.63 31 26.8 0.77 18 276.3 29.09 11 45.19 24 41.5 1.66 46 31.0 0.52 22 319.5 22.12 12 46.10 22 42.6 1.70 41 28.0 0.56 24 311.0 31.65 13 46.36 24 41.1 1.73 33 26.2 0.56 21 329.4 30.19 14 46.36 26 46.6 1.76 36 27.7 0.41 18 221.1 19.66 15 46.47 25 44.0 1.66 40 30.0 0.58 22 304.9 28.28 16 46.50 16 39.7 2.73 42 28.1 0.56 24 298.0 22.78 17 47.00 21 41.3 1.81 33 28.7 0.49 25 323.6 22.91 18 47.33 26 43.7 1.71 43 29.1 0.52 19 229.9 24.17 19 47.34 23 44.4 1.60 52 35.2 0.54 17 249.8 35.53 20 47.46 23 42.7 1.54 52 32.4 0.50 24 321.5 26.43 Ave 44.82 23 42.4 1.70 38 28.3 0.53 21 278.7 27.85 +/- 2.26 3 1.8 0.26 7 2.4 0.08 3 33.2 4.38 Min 39.41 16 39.2 1.44 27 25.0 0.38 17 221.1 19.66 Max 47.46 28 46.6 2.73 52 35.2 0.77 26 329.4 35.53 Overview file "cycle3.ovw" written. DG coordinate file "cycle3.cor" written, 20 conformers. =================== CANDID cycle 4 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle3.cor DG coordinate file "cycle3.cor" read, 20 conformers. - candid: read upl cycle3.upl Distance constraint file "cycle3.upl" read, 587 upper limits, 1033 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=1.0 structure=0.4 smooth=1.0 volume=0.01 rsupport=0.5 tsupport=0.75 qu ality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 331 with multiple volume contributions : 187 eliminated by violation filter : 0 Peaks: selected : 1036 without assignment : 506 with assignment : 530 with unique assignment : 362 with multiple assignment : 168 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 530 Atoms with eliminated volume contribution > 2.5: HN GLY 47 3.0 HN GLY 48 3.0 HN ALA 55 3.0 HN ALA 57 3.0 HN GLU- 85 4.0 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 383 with multiple volume contributions : 211 eliminated by violation filter : 0 Peaks: selected : 1508 without assignment : 810 with assignment : 698 with unique assignment : 479 with multiple assignment : 219 with reference assignment : 446 with identical reference assignment : 249 with compatible reference assignment : 85 with incompatible reference assignment : 34 with additional reference assignment : 78 with additional assignment : 330 Atoms with eliminated volume contribution > 2.5: HA GLU- 40 2.8 HB3 PRO 46 3.0 HG3 PRO 46 3.0 HB2 PHE 60 3.8 HA ASN 65 3.1 HB3 ASN 65 5.0 HB2 LEU 82 3.0 HB VAL 84 3.0 QG2 VAL 84 3.0 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 46 with multiple volume contributions : 52 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 124 with assignment : 101 with unique assignment : 54 with multiple assignment : 47 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 89 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 3.0 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1259 of 3398 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 7.48E+08 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1845 of 3398 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 7.37E+06 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 294 of 3398 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 4.82E+07 set for 964 atoms. - candid: peaks unassign ** Assignment of 3398 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1235 of 3326 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 4.77E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 437 upper limits added, 0/53 at lower/upper bound, average 4.59 A. - candid: write upl n15no-cycle4.upl Distance constraint file "n15no-cycle4.upl" written, 437 upper limits, 633 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 69 15.8% 4.00-4.99 A: 253 57.9% 5.00-5.99 A: 115 26.3% 6.00- A: 0 0.0% All: 437 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1805 of 3326 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 5.15E+06 set for 964 atoms. - candid: peaks calibrate " ** list=2" 505 upper limits added, 5/167 at lower/upper bound, average 4.38 A. - candid: write upl c13no-cycle4.upl Distance constraint file "c13no-cycle4.upl" written, 505 upper limits, 737 assignments. - candid: caltab Distance constraints: -2.99 A: 36 7.1% 3.00-3.99 A: 181 35.8% 4.00-4.99 A: 107 21.2% 5.00-5.99 A: 181 35.8% 6.00- A: 0 0.0% All: 505 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 286 of 3326 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 2.07E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 82 upper limits added, 0/11 at lower/upper bound, average 4.79 A. - candid: write upl c13noar-cycle4.upl Distance constraint file "c13noar-cycle4.upl" written, 82 upper limits, 143 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 9 11.0% 4.00-4.99 A: 40 48.8% 5.00-5.99 A: 33 40.2% 6.00- A: 0 0.0% All: 82 100.0% - candid: distance delete 143 distance constraints deleted. - candid: read upl n15no-cycle4.upl append Distance constraint file "n15no-cycle4.upl" read, 437 upper limits, 633 assignments. - candid: read upl c13no-cycle4.upl append Distance constraint file "c13no-cycle4.upl" read, 505 upper limits, 737 assignments. - candid: distance unique 156 duplicate distance constraints deleted. - candid: read upl c13noar-cycle4.upl append Distance constraint file "c13noar-cycle4.upl" read, 82 upper limits, 143 assignments. - candid: distance unique 6 duplicate distance constraints deleted. - candid: distance multiple 285 distance constraints deleted. - candid: write upl cycle4.upl Distance constraint file "cycle4.upl" written, 577 upper limits, 928 assignments. - candid: caltab Distance constraints: -2.99 A: 19 3.3% 3.00-3.99 A: 106 18.4% 4.00-4.99 A: 239 41.4% 5.00-5.99 A: 213 36.9% 6.00- A: 0 0.0% All: 577 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle4.upl Distance constraint file "cycle4.upl" read, 577 upper limits, 928 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 11 s, f = 40.8741. Structure annealed in 11 s, f = 36.7950. Structure annealed in 11 s, f = 72.7632. Structure annealed in 11 s, f = 30.8372. Structure annealed in 11 s, f = 32.4652. Structure annealed in 11 s, f = 24.9694. Structure annealed in 11 s, f = 70.2436. Structure annealed in 11 s, f = 60.7495. Structure annealed in 11 s, f = 30.8885. Structure annealed in 11 s, f = 70.8678. Structure annealed in 11 s, f = 25.3878. Structure annealed in 11 s, f = 39.2832. Structure annealed in 11 s, f = 63.7561. Structure annealed in 11 s, f = 37.6312. Structure annealed in 11 s, f = 34.4599. Structure annealed in 11 s, f = 25.1645. Structure annealed in 11 s, f = 26.8935. Structure annealed in 11 s, f = 75.6410. Structure annealed in 11 s, f = 37.2779. Structure annealed in 11 s, f = 47.9060. Structure annealed in 11 s, f = 38.0580. Structure annealed in 11 s, f = 28.5527. Structure annealed in 11 s, f = 35.0827. Structure annealed in 11 s, f = 33.9795. Structure annealed in 11 s, f = 43.8980. Structure annealed in 11 s, f = 86.8374. Structure annealed in 11 s, f = 25.7161. Structure annealed in 11 s, f = 28.1741. Structure annealed in 11 s, f = 82.3520. Structure annealed in 11 s, f = 65.9754. Structure annealed in 11 s, f = 64.9202. Structure annealed in 11 s, f = 25.8057. Structure annealed in 11 s, f = 28.0705. Structure annealed in 11 s, f = 35.7557. Structure annealed in 11 s, f = 41.5006. Structure annealed in 11 s, f = 35.0741. Structure annealed in 11 s, f = 45.1247. Structure annealed in 11 s, f = 28.0738. Structure annealed in 11 s, f = 30.6488. Structure annealed in 11 s, f = 26.3573. Structure annealed in 11 s, f = 51.3637. Structure annealed in 11 s, f = 31.8366. Structure annealed in 11 s, f = 33.6328. Structure annealed in 11 s, f = 60.7943. Structure annealed in 11 s, f = 28.5767. Structure annealed in 11 s, f = 42.0935. Structure annealed in 11 s, f = 52.1772. Structure annealed in 11 s, f = 26.3141. Structure annealed in 11 s, f = 78.4699. Structure annealed in 11 s, f = 76.0701. Structure annealed in 11 s, f = 29.6854. Structure annealed in 11 s, f = 64.6463. Structure annealed in 11 s, f = 64.5051. Structure annealed in 11 s, f = 38.5148. Structure annealed in 11 s, f = 24.8799. Structure annealed in 11 s, f = 28.6296. Structure annealed in 11 s, f = 28.1677. Structure annealed in 11 s, f = 47.8087. Structure annealed in 11 s, f = 30.3850. Structure annealed in 11 s, f = 26.6906. Structure annealed in 11 s, f = 56.3182. Structure annealed in 11 s, f = 37.1680. Structure annealed in 11 s, f = 43.2421. Structure annealed in 11 s, f = 47.5268. Structure annealed in 11 s, f = 61.1036. Structure annealed in 11 s, f = 28.6265. Structure annealed in 11 s, f = 59.5796. Structure annealed in 11 s, f = 62.1388. Structure annealed in 11 s, f = 29.3739. Structure annealed in 11 s, f = 30.6164. Structure annealed in 11 s, f = 33.3492. Structure annealed in 11 s, f = 77.0465. Structure annealed in 11 s, f = 28.4641. Structure annealed in 11 s, f = 32.9485. Structure annealed in 11 s, f = 72.7514. Structure annealed in 11 s, f = 80.2162. Structure annealed in 11 s, f = 32.7586. Structure annealed in 11 s, f = 23.8446. Structure annealed in 11 s, f = 46.2065. Structure annealed in 11 s, f = 26.9873. Structure annealed in 11 s, f = 60.3436. Structure annealed in 11 s, f = 29.6439. Structure annealed in 11 s, f = 25.0351. Structure annealed in 11 s, f = 71.9347. Structure annealed in 11 s, f = 60.1245. Structure annealed in 11 s, f = 25.1021. Structure annealed in 11 s, f = 64.0267. Structure annealed in 11 s, f = 70.9118. Structure annealed in 11 s, f = 39.7841. Structure annealed in 11 s, f = 27.0962. Structure annealed in 11 s, f = 22.5141. Structure annealed in 11 s, f = 25.3571. Structure annealed in 11 s, f = 42.0589. Structure annealed in 11 s, f = 57.6235. Structure annealed in 11 s, f = 25.1962. Structure annealed in 11 s, f = 39.1827. Structure annealed in 11 s, f = 38.6884. Structure annealed in 10 s, f = 32.8992. Structure annealed in 11 s, f = 47.2743. Structure annealed in 10 s, f = 70.3873. 100 structures finished in 141 s (1 s/structure). - CANDID:ANNEAL: overview cycle4 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 22.51 37 27.5 1.37 22 18.7 0.52 21 212.4 19.85 2 23.84 34 28.6 1.39 25 20.2 0.41 16 206.7 19.20 3 24.88 47 31.7 1.35 26 22.7 0.52 22 255.1 17.29 4 24.97 35 28.3 1.23 21 18.7 0.35 23 298.3 18.04 5 25.04 43 32.2 1.19 21 20.2 0.44 18 216.9 19.49 6 25.10 41 30.1 1.09 23 18.9 0.48 18 217.7 18.83 7 25.16 36 30.0 1.54 21 20.7 0.47 18 219.4 19.57 8 25.20 38 30.0 1.21 29 21.8 0.42 19 210.5 15.24 9 25.36 41 31.6 1.15 29 21.9 0.50 19 208.1 20.41 10 25.39 34 28.4 1.14 29 22.7 0.45 20 263.0 21.76 11 25.72 38 30.5 1.30 33 22.8 0.45 16 210.6 18.11 12 25.81 43 31.3 1.13 38 23.9 0.47 13 164.9 12.85 13 26.31 39 31.5 1.30 27 19.4 0.56 14 178.2 20.56 14 26.36 34 29.1 1.15 28 22.1 0.64 17 236.0 18.62 15 26.69 42 32.7 1.16 32 22.6 0.44 14 185.8 16.81 16 26.89 45 33.3 1.32 18 21.9 0.45 19 257.7 17.85 17 26.99 35 31.8 1.17 25 20.4 0.45 25 290.8 22.14 18 27.10 40 31.1 1.39 32 23.7 0.56 21 271.2 17.58 19 28.07 43 32.1 1.10 27 21.9 0.38 16 239.7 17.00 20 28.07 41 30.5 1.50 24 21.4 0.45 21 248.9 21.09 Ave 25.77 39 30.6 1.26 27 21.3 0.47 19 229.6 18.61 +/- 1.31 4 1.6 0.13 5 1.6 0.07 3 35.0 2.16 Min 22.51 34 27.5 1.09 18 18.7 0.35 13 164.9 12.85 Max 28.07 47 33.3 1.54 38 23.9 0.64 25 298.3 22.14 Overview file "cycle4.ovw" written. DG coordinate file "cycle4.cor" written, 20 conformers. =================== CANDID cycle 5 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle4.cor DG coordinate file "cycle4.cor" read, 20 conformers. - candid: read upl cycle4.upl Distance constraint file "cycle4.upl" read, 577 upper limits, 928 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=20 support=0.02..10.0 transposed=1.0 observa ble=1.0 structure=0.4 smooth=1.0 volume=0.025 rsupport=0.5 tsupport=0.75 qu ality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 370 with multiple volume contributions : 148 eliminated by violation filter : 0 Peaks: selected : 1036 without assignment : 503 with assignment : 533 with unique assignment : 399 with multiple assignment : 134 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 533 Atoms with eliminated volume contribution > 2.5: HN GLY 47 3.0 HN GLY 48 3.0 HN ALA 55 3.0 HN GLU- 85 3.0 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 430 with multiple volume contributions : 164 eliminated by violation filter : 0 Peaks: selected : 1508 without assignment : 808 with assignment : 700 with unique assignment : 520 with multiple assignment : 180 with reference assignment : 446 with identical reference assignment : 257 with compatible reference assignment : 76 with incompatible reference assignment : 35 with additional reference assignment : 78 with additional assignment : 332 Atoms with eliminated volume contribution > 2.5: HA GLU- 40 2.5 HB3 PRO 46 3.0 HG3 PRO 46 3.0 HB2 PHE 60 3.9 HA ASN 65 3.3 HB3 ASN 65 5.0 HB2 LEU 82 3.0 HB VAL 84 3.0 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 55 with multiple volume contributions : 43 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 122 with assignment : 103 with unique assignment : 62 with multiple assignment : 41 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 91 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 3.0 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1202 of 3255 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 1.25E+09 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1770 of 3255 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 1.77E+07 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 283 of 3255 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 8.70E+07 set for 964 atoms. - candid: peaks unassign ** Assignment of 3255 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1181 of 3202 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 6.26E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 433 upper limits added, 0/64 at lower/upper bound, average 4.76 A. - candid: write upl n15no-cycle5.upl Distance constraint file "n15no-cycle5.upl" written, 433 upper limits, 575 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 35 8.1% 4.00-4.99 A: 232 53.6% 5.00-5.99 A: 166 38.3% 6.00- A: 0 0.0% All: 433 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1744 of 3202 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 9.31E+06 set for 964 atoms. - candid: peaks calibrate " ** list=2" 504 upper limits added, 3/180 at lower/upper bound, average 4.63 A. - candid: write upl c13no-cycle5.upl Distance constraint file "c13no-cycle5.upl" written, 504 upper limits, 675 assignments. - candid: caltab Distance constraints: -2.99 A: 16 3.2% 3.00-3.99 A: 111 22.0% 4.00-4.99 A: 168 33.3% 5.00-5.99 A: 209 41.5% 6.00- A: 0 0.0% All: 504 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 277 of 3202 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 1.65E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 80 upper limits added, 0/5 at lower/upper bound, average 4.63 A. - candid: write upl c13noar-cycle5.upl Distance constraint file "c13noar-cycle5.upl" written, 80 upper limits, 132 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 11 13.8% 4.00-4.99 A: 44 55.0% 5.00-5.99 A: 25 31.2% 6.00- A: 0 0.0% All: 80 100.0% - candid: distance delete 132 distance constraints deleted. - candid: read upl n15no-cycle5.upl append Distance constraint file "n15no-cycle5.upl" read, 433 upper limits, 575 assignments. - candid: read upl c13no-cycle5.upl append Distance constraint file "c13no-cycle5.upl" read, 504 upper limits, 675 assignments. - candid: distance unique 160 duplicate distance constraints deleted. - candid: read upl c13noar-cycle5.upl append Distance constraint file "c13noar-cycle5.upl" read, 80 upper limits, 132 assignments. - candid: distance unique 7 duplicate distance constraints deleted. - candid: distance multiple 317 distance constraints deleted. - candid: write upl cycle5.upl Distance constraint file "cycle5.upl" written, 533 upper limits, 780 assignments. - candid: caltab Distance constraints: -2.99 A: 7 1.3% 3.00-3.99 A: 65 12.2% 4.00-4.99 A: 209 39.2% 5.00-5.99 A: 252 47.3% 6.00- A: 0 0.0% All: 533 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle5.upl Distance constraint file "cycle5.upl" read, 533 upper limits, 780 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 10 s, f = 21.7105. Structure annealed in 10 s, f = 13.1091. Structure annealed in 10 s, f = 44.9884. Structure annealed in 11 s, f = 51.6491. Structure annealed in 10 s, f = 11.8915. Structure annealed in 10 s, f = 17.3512. Structure annealed in 10 s, f = 29.5818. Structure annealed in 10 s, f = 55.7052. Structure annealed in 10 s, f = 47.4863. Structure annealed in 10 s, f = 16.5146. Structure annealed in 10 s, f = 16.8350. Structure annealed in 10 s, f = 12.1068. Structure annealed in 10 s, f = 55.5874. Structure annealed in 10 s, f = 36.3323. Structure annealed in 10 s, f = 66.1269. Structure annealed in 10 s, f = 11.4040. Structure annealed in 10 s, f = 25.0524. Structure annealed in 10 s, f = 10.7041. Structure annealed in 10 s, f = 11.0123. Structure annealed in 10 s, f = 52.0368. Structure annealed in 10 s, f = 15.2090. Structure annealed in 11 s, f = 57.9592. Structure annealed in 10 s, f = 10.4974. Structure annealed in 10 s, f = 12.4135. Structure annealed in 10 s, f = 13.6471. Structure annealed in 10 s, f = 12.7833. Structure annealed in 10 s, f = 13.7720. Structure annealed in 10 s, f = 16.8245. Structure annealed in 10 s, f = 22.4932. Structure annealed in 10 s, f = 16.7372. Structure annealed in 10 s, f = 14.4912. Structure annealed in 10 s, f = 11.0742. Structure annealed in 10 s, f = 18.8685. Structure annealed in 10 s, f = 16.2209. Structure annealed in 10 s, f = 12.9931. Structure annealed in 10 s, f = 13.1449. Structure annealed in 10 s, f = 26.6811. Structure annealed in 10 s, f = 48.1544. Structure annealed in 10 s, f = 11.8890. Structure annealed in 10 s, f = 20.9647. Structure annealed in 10 s, f = 12.2563. Structure annealed in 10 s, f = 15.6429. Structure annealed in 10 s, f = 14.3778. Structure annealed in 10 s, f = 15.1218. Structure annealed in 10 s, f = 59.9969. Structure annealed in 10 s, f = 20.2720. Structure annealed in 10 s, f = 20.6611. Structure annealed in 10 s, f = 18.9492. Structure annealed in 10 s, f = 17.3276. Structure annealed in 10 s, f = 13.8566. Structure annealed in 10 s, f = 65.0069. Structure annealed in 10 s, f = 26.7101. Structure annealed in 10 s, f = 11.7102. Structure annealed in 10 s, f = 16.3719. Structure annealed in 10 s, f = 14.3371. Structure annealed in 10 s, f = 12.9265. Structure annealed in 10 s, f = 22.2636. Structure annealed in 10 s, f = 16.0724. Structure annealed in 10 s, f = 22.7718. Structure annealed in 10 s, f = 19.7103. Structure annealed in 11 s, f = 45.3724. Structure annealed in 10 s, f = 21.5706. Structure annealed in 10 s, f = 18.6096. Structure annealed in 10 s, f = 14.8256. Structure annealed in 10 s, f = 15.4130. Structure annealed in 10 s, f = 9.77411. Structure annealed in 10 s, f = 81.3343. Structure annealed in 10 s, f = 15.7039. Structure annealed in 10 s, f = 66.4859. Structure annealed in 10 s, f = 25.4060. Structure annealed in 10 s, f = 14.7015. Structure annealed in 10 s, f = 33.6382. Structure annealed in 10 s, f = 12.7492. Structure annealed in 10 s, f = 14.2474. Structure annealed in 10 s, f = 19.8088. Structure annealed in 10 s, f = 17.6556. Structure annealed in 10 s, f = 12.8939. Structure annealed in 10 s, f = 36.3491. Structure annealed in 10 s, f = 13.8444. Structure annealed in 10 s, f = 14.1952. Structure annealed in 10 s, f = 54.1887. Structure annealed in 10 s, f = 13.2714. Structure annealed in 10 s, f = 10.5301. Structure annealed in 10 s, f = 15.5335. Structure annealed in 10 s, f = 46.2132. Structure annealed in 10 s, f = 50.7615. Structure annealed in 10 s, f = 21.6622. Structure annealed in 10 s, f = 26.0299. Structure annealed in 10 s, f = 25.1223. Structure annealed in 10 s, f = 15.5302. Structure annealed in 10 s, f = 14.2837. Structure annealed in 10 s, f = 18.0597. Structure annealed in 10 s, f = 11.5324. Structure annealed in 10 s, f = 22.7118. Structure annealed in 10 s, f = 16.7039. Structure annealed in 10 s, f = 41.8490. Structure annealed in 10 s, f = 12.6282. Structure annealed in 10 s, f = 12.8290. Structure annealed in 10 s, f = 47.6391. Structure annealed in 10 s, f = 48.7453. 100 structures finished in 135 s (1 s/structure). - CANDID:ANNEAL: overview cycle5 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 9.77 45 13.6 0.67 9 11.0 0.34 12 191.6 15.68 2 10.50 48 14.7 0.66 11 11.6 0.50 16 172.2 20.28 3 10.53 47 15.6 0.93 7 11.5 0.29 15 165.4 16.36 4 10.70 50 14.4 0.68 11 11.8 0.49 13 187.1 19.65 5 11.01 55 16.9 0.89 14 13.7 0.29 10 130.7 16.67 6 11.07 50 15.9 1.04 9 12.4 0.33 16 166.9 13.90 7 11.40 49 16.1 1.03 10 12.9 0.38 11 148.5 14.01 8 11.53 49 16.8 0.98 10 12.3 0.29 14 170.8 14.74 9 11.71 54 17.6 0.84 13 13.9 0.29 11 133.3 14.39 10 11.89 47 15.2 1.00 10 14.0 0.40 15 164.0 17.79 11 11.89 47 17.0 1.24 7 11.6 0.28 14 164.0 13.93 12 12.11 53 16.8 0.90 12 13.5 0.31 13 158.5 15.01 13 12.26 51 18.0 0.76 10 13.7 0.31 12 162.6 14.15 14 12.41 50 17.3 0.78 10 14.2 0.44 12 146.4 14.09 15 12.63 55 17.9 0.82 12 13.7 0.28 15 187.0 14.32 16 12.75 50 16.5 0.67 16 13.4 0.50 13 166.7 17.74 17 12.78 49 15.0 0.67 19 15.7 0.51 13 194.0 19.43 18 12.83 53 17.2 0.70 17 15.8 0.41 14 166.9 18.58 19 12.89 54 18.3 0.80 15 13.8 0.40 14 149.7 11.80 20 12.93 55 17.2 0.84 7 13.6 0.42 15 204.3 24.99 Ave 11.78 51 16.4 0.84 11 13.2 0.37 13 166.5 16.38 +/- 0.92 3 1.3 0.15 3 1.3 0.08 2 19.0 3.00 Min 9.77 45 13.6 0.66 7 11.0 0.28 10 130.7 11.80 Max 12.93 55 18.3 1.24 19 15.8 0.51 16 204.3 24.99 Overview file "cycle5.ovw" written. DG coordinate file "cycle5.cor" written, 20 conformers. =================== CANDID cycle 6 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle5.cor DG coordinate file "cycle5.cor" read, 20 conformers. - candid: read upl cycle5.upl Distance constraint file "cycle5.upl" read, 533 upper limits, 780 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=20 support=0.02..10.0 transposed=1.0 observa ble=1.0 structure=0.4 smooth=1.0 modify volume=0.05 rsupport=0.5 tsupport=0 .75 quality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 391 with multiple volume contributions : 127 eliminated by violation filter : 0 Peaks: selected : 1036 without assignment : 502 with assignment : 534 with unique assignment : 420 with multiple assignment : 114 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 534 Atoms with eliminated volume contribution > 2.5: HN GLY 47 3.0 HN ALA 55 3.0 HN GLU- 85 3.9 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 451 with multiple volume contributions : 143 eliminated by violation filter : 0 Peaks: selected : 1508 without assignment : 810 with assignment : 698 with unique assignment : 536 with multiple assignment : 162 with reference assignment : 446 with identical reference assignment : 265 with compatible reference assignment : 68 with incompatible reference assignment : 35 with additional reference assignment : 78 with additional assignment : 330 Atoms with eliminated volume contribution > 2.5: HA GLU- 40 2.5 HB3 PRO 46 3.0 HG3 PRO 46 3.0 HB2 PHE 60 3.9 HA ASN 65 3.2 HB3 ASN 65 5.0 HB VAL 84 2.9 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 61 with multiple volume contributions : 37 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 124 with assignment : 101 with unique assignment : 67 with multiple assignment : 34 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 89 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 3.0 HE1 HIS 75 3.0 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1168 of 3166 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 1.53E+10 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1729 of 3166 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 4.08E+08 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 269 of 3166 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 2.38E+08 set for 964 atoms. - candid: peaks unassign ** Assignment of 3166 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1143 of 3115 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 9.36E+08 set for 964 atoms. - candid: peaks calibrate " ** list=1" 426 upper limits added, 0/120 at lower/upper bound, average 5.00 A. - candid: write upl n15no-cycle6.upl Distance constraint file "n15no-cycle6.upl" written, 426 upper limits, 530 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 13 3.1% 4.00-4.99 A: 179 42.0% 5.00-5.99 A: 234 54.9% 6.00- A: 0 0.0% All: 426 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1706 of 3115 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 1.90E+07 set for 964 atoms. - candid: peaks calibrate " ** list=2" 501 upper limits added, 0/221 at lower/upper bound, average 4.93 A. - candid: write upl c13no-cycle6.upl Distance constraint file "c13no-cycle6.upl" written, 501 upper limits, 634 assignments. - candid: caltab Distance constraints: -2.99 A: 6 1.2% 3.00-3.99 A: 51 10.2% 4.00-4.99 A: 164 32.7% 5.00-5.99 A: 280 55.9% 6.00- A: 0 0.0% All: 501 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 266 of 3115 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 2.91E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 79 upper limits added, 0/23 at lower/upper bound, average 4.99 A. - candid: write upl c13noar-cycle6.upl Distance constraint file "c13noar-cycle6.upl" written, 79 upper limits, 120 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 7 8.9% 4.00-4.99 A: 24 30.4% 5.00-5.99 A: 48 60.8% 6.00- A: 0 0.0% All: 79 100.0% - candid: distance delete 120 distance constraints deleted. - candid: read upl n15no-cycle6.upl append Distance constraint file "n15no-cycle6.upl" read, 426 upper limits, 530 assignments. - candid: read upl c13no-cycle6.upl append Distance constraint file "c13no-cycle6.upl" read, 501 upper limits, 634 assignments. - candid: distance unique 174 duplicate distance constraints deleted. - candid: read upl c13noar-cycle6.upl append Distance constraint file "c13noar-cycle6.upl" read, 79 upper limits, 120 assignments. - candid: distance unique 9 duplicate distance constraints deleted. - candid: distance multiple 336 distance constraints deleted. - candid: write upl cycle6.upl Distance constraint file "cycle6.upl" written, 487 upper limits, 663 assignments. - candid: caltab Distance constraints: -2.99 A: 3 0.6% 3.00-3.99 A: 26 5.3% 4.00-4.99 A: 130 26.7% 5.00-5.99 A: 328 67.4% 6.00- A: 0 0.0% All: 487 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle6.upl Distance constraint file "cycle6.upl" read, 487 upper limits, 663 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 10 s, f = 10.1106. Structure annealed in 10 s, f = 10.7106. Structure annealed in 10 s, f = 10.2302. Structure annealed in 10 s, f = 15.1230. Structure annealed in 10 s, f = 8.64937. Structure annealed in 10 s, f = 13.2579. Structure annealed in 10 s, f = 9.22508. Structure annealed in 10 s, f = 10.6047. Structure annealed in 10 s, f = 9.81984. Structure annealed in 10 s, f = 8.05827. Structure annealed in 10 s, f = 9.14784. Structure annealed in 10 s, f = 12.5509. Structure annealed in 10 s, f = 10.1575. Structure annealed in 10 s, f = 11.9187. Structure annealed in 10 s, f = 9.88172. Structure annealed in 10 s, f = 15.5622. Structure annealed in 9 s, f = 9.21094. Structure annealed in 10 s, f = 19.0143. Structure annealed in 10 s, f = 10.5258. Structure annealed in 10 s, f = 9.13044. Structure annealed in 10 s, f = 10.1735. Structure annealed in 10 s, f = 10.8717. Structure annealed in 10 s, f = 12.2461. Structure annealed in 10 s, f = 15.4433. Structure annealed in 10 s, f = 13.9404. Structure annealed in 10 s, f = 12.2115. Structure annealed in 10 s, f = 8.13945. Structure annealed in 10 s, f = 15.3251. Structure annealed in 10 s, f = 44.7267. Structure annealed in 10 s, f = 45.9649. Structure annealed in 10 s, f = 45.8111. Structure annealed in 10 s, f = 9.50603. Structure annealed in 10 s, f = 12.5844. Structure annealed in 10 s, f = 15.2559. Structure annealed in 10 s, f = 19.8740. Structure annealed in 10 s, f = 12.4899. Structure annealed in 10 s, f = 8.35766. Structure annealed in 10 s, f = 8.50945. Structure annealed in 10 s, f = 11.1654. Structure annealed in 10 s, f = 13.1970. Structure annealed in 10 s, f = 40.9310. Structure annealed in 10 s, f = 9.30260. Structure annealed in 10 s, f = 14.7710. Structure annealed in 10 s, f = 8.36765. Structure annealed in 10 s, f = 38.5140. Structure annealed in 10 s, f = 9.99307. Structure annealed in 10 s, f = 25.9620. Structure annealed in 10 s, f = 8.89226. Structure annealed in 9 s, f = 8.66621. Structure annealed in 10 s, f = 7.87849. Structure annealed in 10 s, f = 10.8138. Structure annealed in 10 s, f = 12.0454. Structure annealed in 10 s, f = 9.10828. Structure annealed in 10 s, f = 14.5165. Structure annealed in 10 s, f = 8.79359. Structure annealed in 10 s, f = 19.4301. Structure annealed in 9 s, f = 26.5208. Structure annealed in 10 s, f = 41.5731. Structure annealed in 10 s, f = 22.4528. Structure annealed in 10 s, f = 10.0788. Structure annealed in 10 s, f = 10.4686. Structure annealed in 10 s, f = 45.3343. Structure annealed in 10 s, f = 9.27987. Structure annealed in 10 s, f = 17.9372. Structure annealed in 9 s, f = 9.45022. Structure annealed in 10 s, f = 11.5067. Structure annealed in 10 s, f = 9.49339. Structure annealed in 10 s, f = 18.7940. Structure annealed in 10 s, f = 11.1614. Structure annealed in 10 s, f = 13.3981. Structure annealed in 10 s, f = 8.68769. Structure annealed in 10 s, f = 21.1070. Structure annealed in 10 s, f = 39.3799. Structure annealed in 10 s, f = 9.77532. Structure annealed in 10 s, f = 15.3167. Structure annealed in 10 s, f = 9.17667. Structure annealed in 10 s, f = 15.7132. Structure annealed in 10 s, f = 11.2411. Structure annealed in 10 s, f = 15.2067. Structure annealed in 10 s, f = 16.9768. Structure annealed in 9 s, f = 15.1661. Structure annealed in 10 s, f = 14.9325. Structure annealed in 10 s, f = 11.8134. Structure annealed in 10 s, f = 10.1715. Structure annealed in 10 s, f = 10.2567. Structure annealed in 10 s, f = 8.46060. Structure annealed in 10 s, f = 10.6841. Structure annealed in 11 s, f = 9.19323. Structure annealed in 10 s, f = 26.7340. Structure annealed in 10 s, f = 7.61788. Structure annealed in 10 s, f = 19.9897. Structure annealed in 10 s, f = 11.4928. Structure annealed in 10 s, f = 15.7339. Structure annealed in 11 s, f = 11.2219. Structure annealed in 10 s, f = 10.1515. Structure annealed in 11 s, f = 13.7586. Structure annealed in 9 s, f = 10.6084. Structure annealed in 10 s, f = 10.7560. Structure annealed in 9 s, f = 43.4402. Structure annealed in 9 s, f = 9.16725. 100 structures finished in 128 s (1 s/structure). - CANDID:ANNEAL: overview cycle6 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 7.62 27 8.7 2.13 1 5.9 0.23 4 80.0 10.04 2 7.88 16 7.1 2.13 2 7.1 0.30 6 91.0 11.96 3 8.06 26 8.5 2.07 1 7.5 0.24 4 95.8 9.80 4 8.14 26 8.7 2.12 3 7.4 0.36 3 76.1 6.26 5 8.36 26 8.2 2.14 4 7.7 0.31 7 84.1 12.92 6 8.37 23 8.3 2.11 4 7.7 0.29 6 101.0 11.48 7 8.46 31 10.2 2.13 3 7.4 0.23 3 83.2 9.43 8 8.51 27 9.4 2.13 4 7.0 0.29 6 93.4 10.55 9 8.65 25 8.9 2.11 2 6.8 0.36 9 112.4 12.74 10 8.67 25 8.3 2.08 4 8.4 0.29 9 116.3 10.33 11 8.69 21 8.6 2.11 7 8.2 0.37 7 83.2 10.84 12 8.79 25 9.3 2.12 5 8.0 0.25 3 83.3 11.60 13 8.89 37 10.7 2.14 6 8.0 0.32 4 82.8 10.54 14 9.11 27 9.7 2.09 2 8.3 0.30 9 106.4 9.37 15 9.13 30 9.7 2.09 2 7.7 0.31 14 147.7 14.69 16 9.15 27 9.0 2.10 5 8.7 0.32 7 98.8 14.62 17 9.17 28 9.2 2.09 5 8.8 0.34 7 92.0 10.01 18 9.18 27 9.2 2.09 3 8.4 0.35 10 123.0 10.19 19 9.19 23 8.8 2.11 4 8.5 0.30 8 115.3 12.54 20 9.21 30 9.8 2.11 6 8.9 0.33 6 91.2 10.09 Ave 8.66 26 9.0 2.11 4 7.8 0.30 7 97.9 11.00 +/- 0.47 4 0.8 0.02 2 0.7 0.04 3 17.4 1.88 Min 7.62 16 7.1 2.07 1 5.9 0.23 3 76.1 6.26 Max 9.21 37 10.7 2.14 7 8.9 0.37 14 147.7 14.69 Overview file "cycle6.ovw" written. DG coordinate file "cycle6.cor" written, 20 conformers. =================== CANDID cycle 7 =================== - candid: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - candid: read cor cycle6.cor DG coordinate file "cycle6.cor" read, 20 conformers. - candid: read upl cycle6.upl Distance constraint file "cycle6.upl" read, 487 upper limits, 663 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks n15no.peaks *** 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 7 not found in chemical shift list. *** WARNING: Assignment of peak 8 not found in chemical shift list. *** WARNING: Assignment of peak 9 not found in chemical shift list. *** WARNING: Assignment of peak 10 not found in chemical shift list. *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 12 not found in chemical shift list. *** WARNING: Assignment of peak 13 not found in chemical shift list. *** WARNING: Assignment of peak 14 not found in chemical shift list. *** WARNING: Assignment of peak 15 not found in chemical shift list. *** WARNING: Assignment of peak 16 not found in chemical shift list. *** WARNING: Assignment of peak 17 not found in chemical shift list. *** WARNING: Assignment of peak 18 not found in chemical shift list. *** WARNING: Assignment of peak 19 not found in chemical shift list. *** WARNING: Assignment of peak 20 not found in chemical shift list. *** WARNING: Assignment of peak 21 not found in chemical shift list. *** WARNING: Assignment of peak 23 not found in chemical shift list. *** WARNING: Assignment of peak 24 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 27 not found in chemical shift list. *** WARNING: Assignment of peak 28 not found in chemical shift list. *** WARNING: Assignment of peak 29 not found in chemical shift list. *** WARNING: Assignment of peak 30 not found in chemical shift list. *** WARNING: Assignment of peak 31 not found in chemical shift list. *** WARNING: Assignment of peak 39 not found in chemical shift list. *** WARNING: Assignment of peak 40 not found in chemical shift list. *** WARNING: Assignment of peak 41 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 not found in chemical shift list. *** WARNING: Assignment of peak 45 not found in chemical shift list. *** WARNING: Assignment of peak 46 not found in chemical shift list. *** WARNING: Assignment of peak 47 not found in chemical shift list. *** WARNING: Assignment of peak 48 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 53 not found in chemical shift list. *** WARNING: Assignment of peak 54 not found in chemical shift list. *** WARNING: Assignment of peak 55 not found in chemical shift list. *** WARNING: Assignment of peak 56 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 60 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 66 not found in chemical shift list. *** WARNING: Assignment of peak 67 not found in chemical shift list. *** WARNING: Assignment of peak 68 not found in chemical shift list. *** WARNING: Assignment of peak 69 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 72 not found in chemical shift list. *** WARNING: Assignment of peak 73 not found in chemical shift list. *** WARNING: Assignment of peak 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 77 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 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 87 not found in chemical shift list. *** WARNING: Assignment of peak 88 not found in chemical shift list. *** WARNING: Assignment of peak 89 not found in chemical shift list. *** WARNING: Assignment of peak 90 not found in chemical shift list. *** WARNING: Assignment of peak 91 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 95 not found in chemical shift list. *** WARNING: Assignment of peak 96 not found in chemical shift list. *** WARNING: Assignment of peak 98 not found in chemical shift list. *** WARNING: Assignment of peak 99 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 102 not found in chemical shift list. *** WARNING: Assignment of peak 103 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 108 not found in chemical shift list. *** WARNING: Assignment of peak 109 not found in chemical shift list. *** WARNING: Assignment of peak 110 not found in chemical shift list. *** WARNING: Assignment of peak 111 not found in chemical shift list. *** WARNING: Assignment of peak 112 not found in chemical shift list. *** WARNING: Assignment of peak 113 not found in chemical shift list. *** WARNING: Assignment of peak 114 not found in chemical shift list. *** WARNING: Assignment of peak 115 not found in chemical shift list. *** WARNING: Assignment of peak 116 not found in chemical shift list. *** WARNING: Assignment of peak 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 119 not found in chemical shift list. *** WARNING: Assignment of peak 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 129 not found in chemical shift list. *** WARNING: Assignment of peak 130 not found in chemical shift list. *** WARNING: Assignment of peak 131 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 135 not found in chemical shift list. *** WARNING: Assignment of peak 136 not found in chemical shift list. *** WARNING: Assignment of peak 137 not found in chemical shift list. *** WARNING: Assignment of peak 138 not found in chemical shift list. *** WARNING: Assignment of peak 139 not found in chemical shift list. *** WARNING: Assignment of peak 140 not found in chemical shift list. *** WARNING: Assignment of peak 141 not found in chemical shift list. *** WARNING: Assignment of peak 142 not found in chemical shift list. *** WARNING: Assignment of peak 143 not found in chemical shift list. *** WARNING: Assignment of peak 144 not found in chemical shift list. *** WARNING: Assignment of peak 145 not found in chemical shift list. *** WARNING: Assignment of peak 146 not found in chemical shift list. *** WARNING: Assignment of peak 147 not found in chemical shift list. *** WARNING: Assignment of peak 148 not found in chemical shift list. *** WARNING: Assignment of peak 149 not found in chemical shift list. *** WARNING: Assignment of peak 150 not found in chemical shift list. *** WARNING: Assignment of peak 151 not found in chemical shift list. *** WARNING: Assignment of peak 152 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 154 not found in chemical shift list. *** WARNING: Assignment of peak 155 not found in chemical shift list. *** WARNING: Assignment of peak 157 not found in chemical shift list. *** WARNING: Assignment of peak 158 not found in chemical shift list. *** WARNING: Assignment of peak 159 not found in chemical shift list. *** WARNING: Assignment of peak 160 not found in chemical shift list. *** WARNING: Assignment of peak 161 not found in chemical shift list. *** WARNING: Assignment of peak 162 not found in chemical shift list. *** WARNING: Assignment of peak 163 not found in chemical shift list. *** WARNING: Assignment of peak 164 not found in chemical shift list. *** WARNING: Assignment of peak 165 not found in chemical shift list. *** WARNING: Assignment of peak 166 not found in chemical shift list. *** WARNING: Assignment of peak 167 not found in chemical shift list. *** WARNING: Assignment of peak 168 not found in chemical shift list. *** WARNING: Assignment of peak 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 174 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 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 182 not found in chemical shift list. *** WARNING: Assignment of peak 183 not found in chemical shift list. *** WARNING: Assignment of peak 184 not found in chemical shift list. *** WARNING: Assignment of peak 185 not found in chemical shift list. *** WARNING: Assignment of peak 186 not found in chemical shift list. *** WARNING: Assignment of peak 187 not found in chemical shift list. *** WARNING: Assignment of peak 188 not found in chemical shift list. *** WARNING: Assignment of peak 189 not found in chemical shift list. *** WARNING: Assignment of peak 191 not found in chemical shift list. *** WARNING: Assignment of peak 192 not found in chemical shift list. *** WARNING: Assignment of peak 193 not found in chemical shift list. *** WARNING: Assignment of peak 194 not found in chemical shift list. *** WARNING: Assignment of peak 196 not found in chemical shift list. *** WARNING: Assignment of peak 197 not found in chemical shift list. *** WARNING: Assignment of peak 199 not found in chemical shift list. *** WARNING: Assignment of peak 202 not found in chemical shift list. *** WARNING: Assignment of peak 203 not found in chemical shift list. *** WARNING: Assignment of peak 204 not found in chemical shift list. *** WARNING: Assignment of peak 205 not found in chemical shift list. *** WARNING: Assignment of peak 206 not found in chemical shift list. *** WARNING: Assignment of peak 207 not found in chemical shift list. *** WARNING: Assignment of peak 208 not found in chemical shift list. *** WARNING: Assignment of peak 209 not found in chemical shift list. *** WARNING: Assignment of peak 210 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 216 not found in chemical shift list. *** WARNING: Assignment of peak 217 not found in chemical shift list. *** WARNING: Assignment of peak 218 not found in chemical shift list. *** WARNING: Assignment of peak 219 not found in chemical shift list. *** WARNING: Assignment of peak 220 not found in chemical shift list. *** WARNING: Assignment of peak 222 not found in chemical shift list. *** WARNING: Assignment of peak 223 not found in chemical shift list. *** WARNING: Assignment of peak 224 not found in chemical shift list. *** WARNING: Assignment of peak 225 not found in chemical shift list. *** WARNING: Assignment of peak 226 not found in chemical shift list. *** WARNING: Assignment of peak 227 not found in chemical shift list. *** WARNING: Assignment of peak 228 not found in chemical shift list. *** WARNING: Assignment of peak 229 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 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 257 not found in chemical shift list. *** WARNING: Assignment of peak 258 not found in chemical shift list. *** WARNING: Assignment of peak 259 not found in chemical shift list. *** WARNING: Assignment of peak 260 not found in chemical shift list. *** WARNING: Assignment of peak 261 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 266 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 268 not found in chemical shift list. *** WARNING: Assignment of peak 269 not found in chemical shift list. *** WARNING: Assignment of peak 270 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 281 not found in chemical shift list. *** WARNING: Assignment of peak 282 not found in chemical shift list. *** WARNING: Assignment of peak 283 not found in chemical shift list. *** WARNING: Assignment of peak 284 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 289 not found in chemical shift list. *** WARNING: Assignment of peak 290 not found in chemical shift list. *** WARNING: Assignment of peak 291 not found in chemical shift list. *** WARNING: Assignment of peak 292 not found in chemical shift list. *** WARNING: Assignment of peak 293 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 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 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 346 not found in chemical shift list. *** WARNING: Assignment of peak 347 not found in chemical shift list. *** WARNING: Assignment of peak 348 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 350 not found in chemical shift list. *** WARNING: Assignment of peak 351 not found in chemical shift list. *** WARNING: Assignment of peak 352 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 not found in chemical shift list. *** WARNING: Assignment of peak 356 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 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 364 not found in chemical shift list. *** WARNING: Assignment of peak 366 not found in chemical shift list. *** WARNING: Assignment of peak 367 not found in chemical shift list. *** WARNING: Assignment of peak 368 not found in chemical shift list. *** WARNING: Assignment of peak 371 not found in chemical shift list. *** WARNING: Assignment of peak 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 374 not found in chemical shift list. *** WARNING: Assignment of peak 375 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 382 not found in chemical shift list. *** WARNING: Assignment of peak 383 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 386 not found in chemical shift list. *** WARNING: Assignment of peak 388 not found in chemical shift list. *** WARNING: Assignment of peak 675 not found in chemical shift list. *** WARNING: Assignment of peak 676 not found in chemical shift list. *** WARNING: Assignment of peak 677 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 726 not found in chemical shift list. *** WARNING: Assignment of peak 728 not found in chemical shift list. *** WARNING: Assignment of peak 729 not found in chemical shift list. *** WARNING: Assignment of peak 730 not found in chemical shift list. *** WARNING: Assignment of peak 731 not found in chemical shift list. *** WARNING: Assignment of peak 732 not found in chemical shift list. *** WARNING: Assignment of peak 733 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 806 not found in chemical shift list. *** WARNING: Assignment of peak 807 not found in chemical shift list. *** WARNING: Assignment of peak 808 not found in chemical shift list. *** WARNING: Assignment of peak 809 not found in chemical shift list. *** WARNING: Assignment of peak 810 not found in chemical shift list. *** WARNING: Assignment of peak 889 not found in chemical shift list. *** WARNING: Assignment of peak 890 not found in chemical shift list. *** WARNING: Assignment of peak 891 not found in chemical shift list. *** WARNING: Assignment of peak 892 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 911 not found in chemical shift list. *** WARNING: Assignment of peak 912 not found in chemical shift list. *** WARNING: Assignment of peak 913 not found in chemical shift list. *** WARNING: Assignment of peak 914 not found in chemical shift list. *** WARNING: Assignment of peak 915 not found in chemical shift list. *** WARNING: Assignment of peak 916 not found in chemical shift list. *** WARNING: Assignment of peak 917 not found in chemical shift list. *** WARNING: Assignment of peak 918 not found in chemical shift list. *** WARNING: Assignment of peak 919 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 944 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 976 not found in chemical shift list. *** WARNING: Assignment of peak 978 not found in chemical shift list. *** WARNING: Assignment of peak 979 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 985 not found in chemical shift list. *** WARNING: Assignment of peak 989 not found in chemical shift list. *** WARNING: Assignment of peak 990 not found in chemical shift list. *** WARNING: Assignment of peak 991 not found in chemical shift list. *** WARNING: Assignment of peak 992 not found in chemical shift list. *** WARNING: Assignment of peak 993 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1504 not found in chemical shift list. *** WARNING: Assignment of peak 1505 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. Peak list "n15no.peaks" read, 1036 peaks, 0 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13no.peaks append *** WARNING: Assignment of peak 11 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 37 not found in chemical shift list. *** WARNING: Assignment of peak 38 not found in chemical shift list. *** WARNING: Assignment of peak 42 not found in chemical shift list. *** WARNING: Assignment of peak 43 not found in chemical shift list. *** WARNING: Assignment of peak 44 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 58 not found in chemical shift list. *** WARNING: Assignment of peak 59 not found in chemical shift list. *** WARNING: Assignment of peak 60 not found in chemical shift list. *** WARNING: Assignment of peak 61 not found in chemical shift list. *** WARNING: Assignment of peak 70 not found in chemical shift list. *** WARNING: Assignment of peak 71 not found in chemical shift list. *** WARNING: Assignment of peak 73 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 81 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 92 not found in chemical shift list. *** WARNING: Assignment of peak 100 not found in chemical shift list. *** WARNING: Assignment of peak 101 not found in chemical shift list. *** WARNING: Assignment of peak 106 not found in chemical shift list. *** WARNING: Assignment of peak 107 not found in chemical shift list. *** WARNING: Assignment of peak 109 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 117 not found in chemical shift list. *** WARNING: Assignment of peak 118 not found in chemical shift list. *** WARNING: Assignment of peak 120 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 126 not found in chemical shift list. *** WARNING: Assignment of peak 127 not found in chemical shift list. *** WARNING: Assignment of peak 132 not found in chemical shift list. *** WARNING: Assignment of peak 133 not found in chemical shift list. *** WARNING: Assignment of peak 134 not found in chemical shift list. *** WARNING: Assignment of peak 153 not found in chemical shift list. *** WARNING: Assignment of peak 155 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 175 not found in chemical shift list. *** WARNING: Assignment of peak 176 not found in chemical shift list. *** WARNING: Assignment of peak 177 not found in chemical shift list. *** WARNING: Assignment of peak 178 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 209 not found in chemical shift list. *** WARNING: Assignment of peak 211 not found in chemical shift list. *** WARNING: Assignment of peak 212 not found in chemical shift list. *** WARNING: Assignment of peak 213 not found in chemical shift list. *** WARNING: Assignment of peak 214 not found in chemical shift list. *** WARNING: Assignment of peak 215 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. *** WARNING: Assignment of peak 231 not found in chemical shift list. *** WARNING: Assignment of peak 232 not found in chemical shift list. *** WARNING: Assignment of peak 233 not found in chemical shift list. *** WARNING: Assignment of peak 234 not found in chemical shift list. *** WARNING: Assignment of peak 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 260 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 265 not found in chemical shift list. *** WARNING: Assignment of peak 267 not found in chemical shift list. *** WARNING: Assignment of peak 274 not found in chemical shift list. *** WARNING: Assignment of peak 275 not found in chemical shift list. *** WARNING: Assignment of peak 276 not found in chemical shift list. *** WARNING: Assignment of peak 277 not found in chemical shift list. *** WARNING: Assignment of peak 278 not found in chemical shift list. *** WARNING: Assignment of peak 279 not found in chemical shift list. *** WARNING: Assignment of peak 280 not found in chemical shift list. *** WARNING: Assignment of peak 285 not found in chemical shift list. *** WARNING: Assignment of peak 286 not found in chemical shift list. *** WARNING: Assignment of peak 287 not found in chemical shift list. *** WARNING: Assignment of peak 288 not found in chemical shift list. *** WARNING: Assignment of peak 298 not found in chemical shift list. *** WARNING: Assignment of peak 299 not found in chemical shift list. *** WARNING: Assignment of peak 301 not found in chemical shift list. *** WARNING: Assignment of peak 302 not found in chemical shift list. *** WARNING: Assignment of peak 303 not found in chemical shift list. *** WARNING: Assignment of peak 304 not found in chemical shift list. *** WARNING: Assignment of peak 305 not found in chemical shift list. *** WARNING: Assignment of peak 306 not found in chemical shift list. *** WARNING: Assignment of peak 307 not found in chemical shift list. *** WARNING: Assignment of peak 308 not found in chemical shift list. *** WARNING: Assignment of peak 310 not found in chemical shift list. *** WARNING: Assignment of peak 320 not found in chemical shift list. *** WARNING: Assignment of peak 321 not found in chemical shift list. *** WARNING: Assignment of peak 322 not found in chemical shift list. *** WARNING: Assignment of peak 324 not found in chemical shift list. *** WARNING: Assignment of peak 334 not found in chemical shift list. *** WARNING: Assignment of peak 345 not found in chemical shift list. *** WARNING: Assignment of peak 349 not found in chemical shift list. *** WARNING: Assignment of peak 353 not found in chemical shift list. *** WARNING: Assignment of peak 355 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 359 not found in chemical shift list. *** WARNING: Assignment of peak 360 not found in chemical shift list. *** WARNING: Assignment of peak 361 not found in chemical shift list. *** WARNING: Assignment of peak 364 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 372 not found in chemical shift list. *** WARNING: Assignment of peak 373 not found in chemical shift list. *** WARNING: Assignment of peak 380 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 389 not found in chemical shift list. *** WARNING: Assignment of peak 390 not found in chemical shift list. *** WARNING: Assignment of peak 391 not found in chemical shift list. *** WARNING: Assignment of peak 392 not found in chemical shift list. *** WARNING: Assignment of peak 393 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 400 not found in chemical shift list. *** WARNING: Assignment of peak 401 not found in chemical shift list. *** WARNING: Assignment of peak 404 not found in chemical shift list. *** WARNING: Assignment of peak 407 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 413 not found in chemical shift list. *** WARNING: Assignment of peak 414 not found in chemical shift list. *** WARNING: Assignment of peak 415 not found in chemical shift list. *** WARNING: Assignment of peak 416 not found in chemical shift list. *** WARNING: Assignment of peak 417 not found in chemical shift list. *** WARNING: Assignment of peak 431 not found in chemical shift list. *** WARNING: Assignment of peak 435 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 444 not found in chemical shift list. *** WARNING: Assignment of peak 449 not found in chemical shift list. *** WARNING: Assignment of peak 453 not found in chemical shift list. *** WARNING: Assignment of peak 454 not found in chemical shift list. *** WARNING: Assignment of peak 455 not found in chemical shift list. *** WARNING: Assignment of peak 456 not found in chemical shift list. *** WARNING: Assignment of peak 457 not found in chemical shift list. *** WARNING: Assignment of peak 461 not found in chemical shift list. *** WARNING: Assignment of peak 463 not found in chemical shift list. *** WARNING: Assignment of peak 467 not found in chemical shift list. *** WARNING: Assignment of peak 475 not found in chemical shift list. *** WARNING: Assignment of peak 476 not found in chemical shift list. *** WARNING: Assignment of peak 477 not found in chemical shift list. *** WARNING: Assignment of peak 490 not found in chemical shift list. *** WARNING: Assignment of peak 493 not found in chemical shift list. *** WARNING: Assignment of peak 501 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 517 not found in chemical shift list. *** WARNING: Assignment of peak 519 not found in chemical shift list. *** WARNING: Assignment of peak 527 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 561 not found in chemical shift list. *** WARNING: Assignment of peak 562 not found in chemical shift list. *** WARNING: Assignment of peak 563 not found in chemical shift list. *** WARNING: Assignment of peak 564 not found in chemical shift list. *** WARNING: Assignment of peak 565 not found in chemical shift list. *** WARNING: Assignment of peak 567 not found in chemical shift list. *** WARNING: Assignment of peak 568 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 571 not found in chemical shift list. *** WARNING: Assignment of peak 572 not found in chemical shift list. *** WARNING: Assignment of peak 573 not found in chemical shift list. *** WARNING: Assignment of peak 574 not found in chemical shift list. *** WARNING: Assignment of peak 576 not found in chemical shift list. *** WARNING: Assignment of peak 578 not found in chemical shift list. *** WARNING: Assignment of peak 579 not found in chemical shift list. *** WARNING: Assignment of peak 580 not found in chemical shift list. *** WARNING: Assignment of peak 581 not found in chemical shift list. *** WARNING: Assignment of peak 588 not found in chemical shift list. *** WARNING: Assignment of peak 590 not found in chemical shift list. *** WARNING: Assignment of peak 591 not found in chemical shift list. *** WARNING: Assignment of peak 592 not found in chemical shift list. *** WARNING: Assignment of peak 593 not found in chemical shift list. *** WARNING: Assignment of peak 595 not found in chemical shift list. *** WARNING: Assignment of peak 597 not found in chemical shift list. *** WARNING: Assignment of peak 600 not found in chemical shift list. *** WARNING: Assignment of peak 603 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 607 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 613 not found in chemical shift list. *** WARNING: Assignment of peak 614 not found in chemical shift list. *** WARNING: Assignment of peak 615 not found in chemical shift list. *** WARNING: Assignment of peak 618 not found in chemical shift list. *** WARNING: Assignment of peak 619 not found in chemical shift list. *** WARNING: Assignment of peak 620 not found in chemical shift list. *** WARNING: Assignment of peak 621 not found in chemical shift list. *** WARNING: Assignment of peak 622 not found in chemical shift list. *** WARNING: Assignment of peak 623 not found in chemical shift list. *** WARNING: Assignment of peak 624 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 629 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 635 not found in chemical shift list. *** WARNING: Assignment of peak 637 not found in chemical shift list. *** WARNING: Assignment of peak 638 not found in chemical shift list. *** WARNING: Assignment of peak 641 not found in chemical shift list. *** WARNING: Assignment of peak 643 not found in chemical shift list. *** WARNING: Assignment of peak 644 not found in chemical shift list. *** WARNING: Assignment of peak 647 not found in chemical shift list. *** WARNING: Assignment of peak 648 not found in chemical shift list. *** WARNING: Assignment of peak 649 not found in chemical shift list. *** WARNING: Assignment of peak 650 not found in chemical shift list. *** WARNING: Assignment of peak 652 not found in chemical shift list. *** WARNING: Assignment of peak 653 not found in chemical shift list. *** WARNING: Assignment of peak 656 not found in chemical shift list. *** WARNING: Assignment of peak 661 not found in chemical shift list. *** WARNING: Assignment of peak 662 not found in chemical shift list. *** WARNING: Assignment of peak 663 not found in chemical shift list. *** WARNING: Assignment of peak 664 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 671 not found in chemical shift list. *** WARNING: Assignment of peak 672 not found in chemical shift list. *** WARNING: Assignment of peak 673 not found in chemical shift list. *** WARNING: Assignment of peak 678 not found in chemical shift list. *** WARNING: Assignment of peak 681 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 685 not found in chemical shift list. *** WARNING: Assignment of peak 687 not found in chemical shift list. *** WARNING: Assignment of peak 697 not found in chemical shift list. *** WARNING: Assignment of peak 698 not found in chemical shift list. *** WARNING: Assignment of peak 699 not found in chemical shift list. *** WARNING: Assignment of peak 700 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 707 not found in chemical shift list. *** WARNING: Assignment of peak 708 not found in chemical shift list. *** WARNING: Assignment of peak 710 not found in chemical shift list. *** WARNING: Assignment of peak 715 not found in chemical shift list. *** WARNING: Assignment of peak 721 not found in chemical shift list. *** WARNING: Assignment of peak 722 not found in chemical shift list. *** WARNING: Assignment of peak 727 not found in chemical shift list. *** WARNING: Assignment of peak 734 not found in chemical shift list. *** WARNING: Assignment of peak 739 not found in chemical shift list. *** WARNING: Assignment of peak 740 not found in chemical shift list. *** WARNING: Assignment of peak 741 not found in chemical shift list. *** WARNING: Assignment of peak 748 not found in chemical shift list. *** WARNING: Assignment of peak 757 not found in chemical shift list. *** WARNING: Assignment of peak 758 not found in chemical shift list. *** WARNING: Assignment of peak 759 not found in chemical shift list. *** WARNING: Assignment of peak 760 not found in chemical shift list. *** WARNING: Assignment of peak 761 not found in chemical shift list. *** WARNING: Assignment of peak 762 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 767 not found in chemical shift list. *** WARNING: Assignment of peak 775 not found in chemical shift list. *** WARNING: Assignment of peak 776 not found in chemical shift list. *** WARNING: Assignment of peak 777 not found in chemical shift list. *** WARNING: Assignment of peak 778 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 791 not found in chemical shift list. *** WARNING: Assignment of peak 792 not found in chemical shift list. *** WARNING: Assignment of peak 793 not found in chemical shift list. *** WARNING: Assignment of peak 794 not found in chemical shift list. *** WARNING: Assignment of peak 797 not found in chemical shift list. *** WARNING: Assignment of peak 798 not found in chemical shift list. *** WARNING: Assignment of peak 799 not found in chemical shift list. *** WARNING: Assignment of peak 800 not found in chemical shift list. *** WARNING: Assignment of peak 801 not found in chemical shift list. *** WARNING: Assignment of peak 802 not found in chemical shift list. *** WARNING: Assignment of peak 803 not found in chemical shift list. *** WARNING: Assignment of peak 804 not found in chemical shift list. *** WARNING: Assignment of peak 805 not found in chemical shift list. *** WARNING: Assignment of peak 822 not found in chemical shift list. *** WARNING: Assignment of peak 858 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 864 not found in chemical shift list. *** WARNING: Assignment of peak 865 not found in chemical shift list. *** WARNING: Assignment of peak 867 not found in chemical shift list. *** WARNING: Assignment of peak 870 not found in chemical shift list. *** WARNING: Assignment of peak 871 not found in chemical shift list. *** WARNING: Assignment of peak 879 not found in chemical shift list. *** WARNING: Assignment of peak 880 not found in chemical shift list. *** WARNING: Assignment of peak 882 not found in chemical shift list. *** WARNING: Assignment of peak 883 not found in chemical shift list. *** WARNING: Assignment of peak 885 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 908 not found in chemical shift list. *** WARNING: Assignment of peak 909 not found in chemical shift list. *** WARNING: Assignment of peak 910 not found in chemical shift list. *** WARNING: Assignment of peak 922 not found in chemical shift list. *** WARNING: Assignment of peak 926 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 943 not found in chemical shift list. *** WARNING: Assignment of peak 950 not found in chemical shift list. *** WARNING: Assignment of peak 954 not found in chemical shift list. *** WARNING: Assignment of peak 968 not found in chemical shift list. *** WARNING: Assignment of peak 972 not found in chemical shift list. *** WARNING: Assignment of peak 973 not found in chemical shift list. *** WARNING: Assignment of peak 980 not found in chemical shift list. *** WARNING: Assignment of peak 981 not found in chemical shift list. *** WARNING: Assignment of peak 982 not found in chemical shift list. *** WARNING: Assignment of peak 983 not found in chemical shift list. *** WARNING: Assignment of peak 984 not found in chemical shift list. *** WARNING: Assignment of peak 1005 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 1010 not found in chemical shift list. *** WARNING: Assignment of peak 1011 not found in chemical shift list. *** WARNING: Assignment of peak 1014 not found in chemical shift list. *** WARNING: Assignment of peak 1015 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 1089 not found in chemical shift list. *** WARNING: Assignment of peak 1090 not found in chemical shift list. *** WARNING: Assignment of peak 1135 not found in chemical shift list. *** WARNING: Assignment of peak 1136 not found in chemical shift list. *** WARNING: Inconsistent heavy atom assignment for peak 1137. *** WARNING: Assignment of peak 1138 not found in chemical shift list. *** WARNING: Assignment of peak 1176 not found in chemical shift list. *** WARNING: Assignment of peak 1177 not found in chemical shift list. *** WARNING: Assignment of peak 1178 not found in chemical shift list. *** WARNING: Assignment of peak 1179 not found in chemical shift list. *** WARNING: Assignment of peak 1180 not found in chemical shift list. *** WARNING: Assignment of peak 1181 not found in chemical shift list. *** WARNING: Assignment of peak 1182 not found in chemical shift list. *** WARNING: Assignment of peak 1183 not found in chemical shift list. *** WARNING: Assignment of peak 1184 not found in chemical shift list. *** WARNING: Assignment of peak 1185 not found in chemical shift list. *** WARNING: Assignment of peak 1186 not found in chemical shift list. *** WARNING: Assignment of peak 1187 not found in chemical shift list. *** WARNING: Assignment of peak 1188 not found in chemical shift list. *** WARNING: Assignment of peak 1243 not found in chemical shift list. *** WARNING: Assignment of peak 1244 not found in chemical shift list. *** WARNING: Assignment of peak 1245 not found in chemical shift list. *** WARNING: Assignment of peak 1246 not found in chemical shift list. *** WARNING: Assignment of peak 1247 not found in chemical shift list. *** WARNING: Assignment of peak 1248 not found in chemical shift list. *** WARNING: Assignment of peak 1249 not found in chemical shift list. *** WARNING: Assignment of peak 1250 not found in chemical shift list. *** WARNING: Assignment of peak 1251 not found in chemical shift list. *** WARNING: Assignment of peak 1283 not found in chemical shift list. *** WARNING: Assignment of peak 1284 not found in chemical shift list. *** WARNING: Assignment of peak 1285 not found in chemical shift list. *** WARNING: Assignment of peak 1477 not found in chemical shift list. *** WARNING: Assignment of peak 1499 not found in chemical shift list. *** WARNING: Assignment of peak 1500 not found in chemical shift list. *** WARNING: Assignment of peak 1501 not found in chemical shift list. *** WARNING: Assignment of peak 1502 not found in chemical shift list. *** WARNING: Assignment of peak 1503 not found in chemical shift list. *** WARNING: Assignment of peak 1531 not found in chemical shift list. *** WARNING: Assignment of peak 1534 not found in chemical shift list. *** WARNING: Assignment of peak 1535 not found in chemical shift list. *** WARNING: Assignment of peak 1536 not found in chemical shift list. *** WARNING: Assignment of peak 1537 not found in chemical shift list. *** WARNING: Assignment of peak 1538 not found in chemical shift list. *** WARNING: Assignment of peak 1595 not found in chemical shift list. *** WARNING: Assignment of peak 1596 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 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 1727 not found in chemical shift list. *** WARNING: Assignment of peak 1728 not found in chemical shift list. *** WARNING: Assignment of peak 1765 not found in chemical shift list. *** WARNING: Assignment of peak 1817 not found in chemical shift list. *** WARNING: Assignment of peak 1818 not found in chemical shift list. Peak list "c13no.peaks" read, 1508 peaks, 447 assignments. - candid:loadlists: read prot bc019267.prot unknown=warn append Chemical shift list "bc019267.prot" read, 483 chemical shifts. - candid:loadlists: read peaks c13noar.peaks append *** WARNING: Assignment of peak 11 not found in chemical shift list. *** WARNING: Assignment of peak 230 not found in chemical shift list. Peak list "c13noar.peaks" read, 225 peaks, 12 assignments. - candid:loadlists: peaks set volume=abs(volume) Volume of 2769 peaks set. - candid:loadlists: peaks select none 0 of 2769 peaks, 0 of 2769 assignments selected. - candid:loadlists: peak unassign "! / **" Assignment of 2769 peaks deleted. - candid:loadlists: peaks select "! *, *" 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: assign gamma=0.5 ambiguity=1 support=0.02..10.0 transposed=1.0 observab le=1.0 structure=0.4 smooth=1.0 modify tendency volume=0.33 rsupport=0.5 ts upport=0.75 quality=0.2 Peaks: selected : 1036 with diagonal assignment : 56 without assignment possibility : 462 with one assignment possibility : 86 with multiple assignment possibilities : 432 with given assignment possibilities : 0 with unique volume contribution : 517 with multiple volume contributions : 0 eliminated by violation filter : 1 Peaks: selected : 1036 without assignment : 517 with assignment : 519 with unique assignment : 519 with multiple assignment : 0 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 519 Atoms with eliminated volume contribution > 2.5: HN PHE 41 2.7 HN GLY 47 2.8 HN GLY 48 3.0 HN ARG+ 52 3.0 HN ALA 55 3.0 HN ALA 57 2.8 HG3 ARG+ 71 3.0 HN GLU- 85 4.0 Peaks: selected : 1508 with diagonal assignment : 153 without assignment possibility : 761 with one assignment possibility : 67 with multiple assignment possibilities : 527 with given assignment possibilities : 0 with unique volume contribution : 590 with multiple volume contributions : 0 eliminated by violation filter : 4 Peaks: selected : 1508 without assignment : 821 with assignment : 687 with unique assignment : 687 with multiple assignment : 0 with reference assignment : 446 with identical reference assignment : 314 with compatible reference assignment : 0 with incompatible reference assignment : 54 with additional reference assignment : 78 with additional assignment : 319 Atoms with eliminated volume contribution > 2.5: HA GLU- 40 3.2 HB3 PRO 46 3.0 HG3 PRO 46 3.0 HA ASN 65 3.0 HB3 ASN 65 4.9 HG3 ARG+ 71 2.9 HG3 ARG+ 78 2.9 HB2 LEU 82 3.3 Peaks: selected : 225 with diagonal assignment : 11 without assignment possibility : 116 with one assignment possibility : 29 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 98 with multiple volume contributions : 0 eliminated by violation filter : 0 Peaks: selected : 225 without assignment : 124 with assignment : 101 with unique assignment : 101 with multiple assignment : 0 with reference assignment : 12 with identical reference assignment : 11 with compatible reference assignment : 0 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 89 Atoms with eliminated volume contribution > 2.5: HZ PHE 70 2.7 HE1 HIS 75 2.5 - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1036 of 2769 assignments selected. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 9.85E+09 set for 964 atoms. - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1508 of 2769 assignments selected. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 1.29E+08 set for 964 atoms. - candid: peaks select " ** list=3" 225 of 2769 peaks, 225 of 2769 assignments selected. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 3.21E+08 set for 964 atoms. - candid: peaks unassign ** Assignment of 2769 peaks deleted. - candid: peaks select ** 2769 of 2769 peaks, 2769 of 2769 assignments selected. - candid: peaks select " ** list=1" 1036 of 2769 peaks, 1036 of 2769 assignments selected. - candid: write peaks n15no-cycle7.peaks Peak list "n15no-cycle7.peaks" written, 1036 peaks, 471 assignments. - candid: write peaks n15no-cycle7-ref.peaks reference Peak list "n15no-cycle7-ref.peaks" written, 1036 peaks, 0 assignments. - candid:standard: structure calibrate * peaklist=1 percentage=pcal(cycle) Calibration constant 1.02E+09 set for 964 atoms. - candid: peaks calibrate " ** list=1" 415 upper limits added, 0/130 at lower/upper bound, average 5.04 A. - candid: write upl n15no-cycle7.upl Distance constraint file "n15no-cycle7.upl" written, 415 upper limits, 415 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 11 2.7% 4.00-4.99 A: 165 39.8% 5.00-5.99 A: 239 57.6% 6.00- A: 0 0.0% All: 415 100.0% - candid: peaks select " ** list=2" 1508 of 2769 peaks, 1508 of 2769 assignments selected. - candid: write peaks c13no-cycle7.peaks Peak list "c13no-cycle7.peaks" written, 1508 peaks, 639 assignments. - candid: write peaks c13no-cycle7-ref.peaks reference Peak list "c13no-cycle7-ref.peaks" written, 1508 peaks, 446 assignments. - candid:standard: structure calibrate * peaklist=2 percentage=pcal(cycle) Calibration constant 2.26E+07 set for 964 atoms. - candid: peaks calibrate " ** list=2" 486 upper limits added, 0/223 at lower/upper bound, average 4.99 A. - candid: write upl c13no-cycle7.upl Distance constraint file "c13no-cycle7.upl" written, 486 upper limits, 486 assignments. - candid: caltab Distance constraints: -2.99 A: 5 1.0% 3.00-3.99 A: 44 9.1% 4.00-4.99 A: 153 31.5% 5.00-5.99 A: 284 58.4% 6.00- A: 0 0.0% All: 486 100.0% - candid: peaks select " ** list=3" 225 of 2769 peaks, 225 of 2769 assignments selected. - candid: write peaks c13noar-cycle7.peaks Peak list "c13noar-cycle7.peaks" written, 225 peaks, 79 assignments. - candid: write peaks c13noar-cycle7-ref.peaks reference Peak list "c13noar-cycle7-ref.peaks" written, 225 peaks, 12 assignments. - candid:standard: structure calibrate * peaklist=3 percentage=pcal(cycle) Calibration constant 2.55E+07 set for 964 atoms. - candid: peaks calibrate " ** list=3" 68 upper limits added, 0/15 at lower/upper bound, average 4.86 A. - candid: write upl c13noar-cycle7.upl Distance constraint file "c13noar-cycle7.upl" written, 68 upper limits, 68 assignments. - candid: caltab Distance constraints: -2.99 A: 0 0.0% 3.00-3.99 A: 8 11.8% 4.00-4.99 A: 28 41.2% 5.00-5.99 A: 32 47.1% 6.00- A: 0 0.0% All: 68 100.0% - candid: distance delete 68 distance constraints deleted. - candid: read upl n15no-cycle7.upl append Distance constraint file "n15no-cycle7.upl" read, 415 upper limits, 415 assignments. - candid: read upl c13no-cycle7.upl append Distance constraint file "c13no-cycle7.upl" read, 486 upper limits, 486 assignments. - candid: distance unique 207 duplicate distance constraints deleted. - candid: read upl c13noar-cycle7.upl append Distance constraint file "c13noar-cycle7.upl" read, 68 upper limits, 68 assignments. - candid: distance unique 13 duplicate distance constraints deleted. - candid: distance multiple 309 distance constraints deleted. - candid: write upl cycle7.upl Distance constraint file "cycle7.upl" written, 440 upper limits, 440 assignments. - candid: caltab Distance constraints: -2.99 A: 2 0.5% 3.00-3.99 A: 22 5.0% 4.00-4.99 A: 126 28.6% 5.00-5.99 A: 290 65.9% 6.00- A: 0 0.0% All: 440 100.0% - CANDID:ANNEAL: ./init - init: read lib /s/src/cyana-1.0.6/lib/cyana.lib Library file "/s/src/cyana-1.0.6/lib/cyana.lib" read, 50 residue types. - init: read seq bc019267.seq Sequence file "bc019267.seq" read, 51 residues. - CANDID:ANNEAL: read upl cycle7.upl Distance constraint file "cycle7.upl" read, 440 upper limits, 440 assignments. - CANDID:ANNEAL: read aco bc019267.aco Angle constraint file "bc019267.aco" read, 59 constraints for 59 angles. - CANDID:ANNEAL: calc_all structures=n steps=10000 100 structures selected. 100 random structures created (seed 38372). Structure annealed in 9 s, f = 21.9643. Structure annealed in 9 s, f = 4.70688. Structure annealed in 9 s, f = 3.46218. Structure annealed in 9 s, f = 5.90352. Structure annealed in 9 s, f = 3.66923. Structure annealed in 9 s, f = 4.50737. Structure annealed in 9 s, f = 2.47203. Structure annealed in 9 s, f = 12.5915. Structure annealed in 9 s, f = 4.54121. Structure annealed in 9 s, f = 15.2769. Structure annealed in 9 s, f = 2.86525. Structure annealed in 9 s, f = 6.12208. Structure annealed in 9 s, f = 4.95550. Structure annealed in 9 s, f = 55.6401. Structure annealed in 9 s, f = 2.82775. Structure annealed in 9 s, f = 3.92995. Structure annealed in 9 s, f = 2.43711. Structure annealed in 9 s, f = 34.6793. Structure annealed in 9 s, f = 6.13995. Structure annealed in 9 s, f = 5.33856. Structure annealed in 9 s, f = 43.3887. Structure annealed in 9 s, f = 24.8626. Structure annealed in 9 s, f = 4.41462. Structure annealed in 9 s, f = 3.33057. Structure annealed in 9 s, f = 44.0618. Structure annealed in 9 s, f = 16.7803. Structure annealed in 9 s, f = 5.23654. Structure annealed in 9 s, f = 4.11814. Structure annealed in 8 s, f = 10.8707. Structure annealed in 9 s, f = 7.52784. Structure annealed in 9 s, f = 36.2238. Structure annealed in 9 s, f = 2.85800. Structure annealed in 9 s, f = 4.16694. Structure annealed in 9 s, f = 2.93370. Structure annealed in 9 s, f = 36.7133. Structure annealed in 9 s, f = 4.51341. Structure annealed in 9 s, f = 3.24648. Structure annealed in 9 s, f = 2.71584. Structure annealed in 9 s, f = 2.94866. Structure annealed in 9 s, f = 5.35106. Structure annealed in 9 s, f = 3.99293. Structure annealed in 9 s, f = 15.9847. Structure annealed in 9 s, f = 23.1914. Structure annealed in 9 s, f = 6.27801. Structure annealed in 9 s, f = 5.96972. Structure annealed in 9 s, f = 14.9484. Structure annealed in 9 s, f = 4.32374. Structure annealed in 9 s, f = 2.36147. Structure annealed in 9 s, f = 2.49113. Structure annealed in 9 s, f = 46.3318. Structure annealed in 9 s, f = 3.65388. Structure annealed in 9 s, f = 2.71754. Structure annealed in 9 s, f = 19.3189. Structure annealed in 9 s, f = 5.72613. Structure annealed in 9 s, f = 2.84107. Structure annealed in 9 s, f = 7.00140. Structure annealed in 9 s, f = 2.77456. Structure annealed in 9 s, f = 2.09866. Structure annealed in 9 s, f = 3.90196. Structure annealed in 9 s, f = 4.27208. Structure annealed in 9 s, f = 3.53898. Structure annealed in 9 s, f = 9.96864. Structure annealed in 9 s, f = 32.2980. Structure annealed in 9 s, f = 3.91771. Structure annealed in 9 s, f = 4.16694. Structure annealed in 9 s, f = 4.65328. Structure annealed in 9 s, f = 4.50020. Structure annealed in 9 s, f = 3.18127. Structure annealed in 9 s, f = 2.40048. Structure annealed in 9 s, f = 3.06075. Structure annealed in 9 s, f = 6.90435. Structure annealed in 9 s, f = 3.74515. Structure annealed in 9 s, f = 3.47879. Structure annealed in 9 s, f = 13.0466. Structure annealed in 9 s, f = 27.4502. Structure annealed in 9 s, f = 3.04533. Structure annealed in 9 s, f = 4.35415. Structure annealed in 9 s, f = 2.17733. Structure annealed in 9 s, f = 4.49833. Structure annealed in 9 s, f = 4.96941. Structure annealed in 9 s, f = 2.20507. Structure annealed in 9 s, f = 5.33642. Structure annealed in 9 s, f = 5.21791. Structure annealed in 9 s, f = 3.75508. Structure annealed in 9 s, f = 3.24351. Structure annealed in 9 s, f = 5.49729. Structure annealed in 9 s, f = 4.34979. Structure annealed in 9 s, f = 10.2353. Structure annealed in 9 s, f = 7.91678. Structure annealed in 9 s, f = 4.33899. Structure annealed in 9 s, f = 2.79040. Structure annealed in 9 s, f = 4.84164. Structure annealed in 9 s, f = 6.73559. Structure annealed in 9 s, f = 11.1983. Structure annealed in 9 s, f = 3.79576. Structure annealed in 9 s, f = 6.15375. Structure annealed in 9 s, f = 2.58679. Structure annealed in 9 s, f = 3.51546. Structure annealed in 9 s, f = 3.88880. Structure annealed in 8 s, f = 3.22153. 100 structures finished in 133 s (1 s/structure). - CANDID:ANNEAL: overview cycle7 structures=20 cor 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 2.10 15 3.7 0.32 2 5.7 0.24 4 76.8 8.76 2 2.18 21 5.2 0.35 2 5.4 0.30 1 47.8 5.25 3 2.21 15 3.9 0.33 3 5.3 0.29 3 75.2 9.10 4 2.36 17 4.2 0.43 3 5.5 0.36 3 59.5 6.02 5 2.40 16 4.2 0.34 2 6.1 0.27 3 76.9 8.95 6 2.44 16 4.4 0.39 3 6.6 0.28 3 67.6 6.53 7 2.47 17 4.4 0.36 3 6.6 0.30 3 70.4 10.32 8 2.49 14 4.3 0.34 2 6.1 0.25 3 82.4 8.52 9 2.59 18 4.2 0.36 4 5.5 0.37 4 81.9 10.27 10 2.72 18 4.6 0.33 3 6.6 0.32 3 80.2 8.41 11 2.72 18 5.2 0.43 5 6.7 0.26 3 55.8 7.61 12 2.77 19 4.9 0.40 4 5.6 0.37 5 82.4 8.29 13 2.79 22 5.1 0.51 1 6.5 0.37 5 70.4 8.72 14 2.83 19 5.4 0.51 1 6.1 0.40 3 77.6 9.77 15 2.84 14 4.3 0.40 3 5.6 0.40 4 86.4 11.38 16 2.86 19 4.9 0.48 3 6.9 0.36 3 74.7 9.04 17 2.87 18 5.4 0.44 2 6.3 0.26 6 84.0 8.02 18 2.93 15 4.5 0.49 3 7.0 0.28 5 81.4 9.80 19 2.95 24 5.6 0.36 3 6.7 0.24 5 79.3 8.96 20 3.05 14 3.9 0.31 4 7.6 0.45 1 82.4 10.67 Ave 2.63 17 4.6 0.39 3 6.2 0.32 4 74.7 8.72 +/- 0.27 3 0.6 0.06 1 0.6 0.06 1 9.9 1.49 Min 2.10 14 3.7 0.31 1 5.3 0.24 1 47.8 5.25 Max 3.05 24 5.6 0.51 5 7.6 0.45 6 86.4 11.38 Overview file "cycle7.ovw" written. DG coordinate file "cycle7.cor" written, 20 conformers. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 30-Dec-2004 01:39:15