============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 1 1.000 19.640 51.315 66.921 -99.200 -91.000 PHE 9 1.000 27.056 64.209 58.662 -99.200 -91.000 TRP 14 1.040 33.933 61.574 64.280 -99.200 -91.000 TRP6 14 1.020 33.886 62.326 66.515 -99.200 -91.000 TYR 20 0.840 31.373 60.904 48.645 -99.200 -91.000 TRP 24 1.040 23.832 67.478 56.178 -99.200 -91.000 TRP6 24 1.020 22.335 68.415 57.753 -99.200 -91.000 TYR 32 0.840 12.497 70.223 49.289 -99.200 -91.000 PHE 36 1.000 7.009 68.226 54.924 -99.200 -91.000 PHE 45 1.000 4.883 70.735 62.386 -99.200 -91.000 PHE 46 1.000 4.317 71.245 67.467 -99.200 -91.000 PHE 66 1.000 16.428 65.359 45.924 -99.200 -91.000 PHE 74 1.000 8.906 66.919 59.962 -99.200 -91.000 PHE 98 1.000 5.733 78.167 72.329 -99.200 -91.000 TYR 123 0.840 6.459 63.385 70.581 -99.200 -91.000 PHE 125 1.000 13.970 60.406 73.814 -99.200 -91.000 PHE 144 1.000 15.691 69.224 64.827 -99.200 -91.000 TRP 149 1.040 19.456 83.819 71.638 -99.200 -91.000 TRP6 149 1.020 18.333 85.492 72.855 -99.200 -91.000 TYR 154 0.840 11.183 80.102 67.582 -99.200 -91.000 TRP 170 1.040 11.887 88.366 79.637 -99.200 -91.000 TRP6 170 1.020 11.841 86.516 81.104 -99.200 -91.000 TYR 172 0.840 20.836 94.748 76.689 -99.200 -91.000 HIS 179 0.900 22.892 84.410 83.145 -99.200 -91.000 TYR 192 0.840 14.718 66.419 72.243 -99.200 -91.000 TYR 207 0.840 18.889 73.369 62.859 -99.200 -91.000 HIS 210 0.900 15.444 83.022 66.420 -99.200 -91.000 HIS 213 0.900 17.340 88.260 65.839 -99.200 -91.000 PHE 219 1.000 27.098 83.582 70.721 -99.200 -91.000 PHE 222 1.000 22.439 87.317 79.385 -99.200 -91.000 TYR 226 0.840 23.276 79.509 79.849 -99.200 -91.000 PHE 251 1.000 23.077 77.185 60.574 -99.200 -91.000 HIS 256 0.900 29.240 88.635 61.743 -99.200 -91.000 PHE 257 1.000 27.914 87.646 66.878 -99.200 -91.000 TYR 267 0.840 28.555 72.356 70.228 -99.200 -91.000 TRP 274 1.040 23.343 83.928 52.395 -99.200 -91.000 TRP6 274 1.020 21.574 83.301 53.810 -99.200 -91.000 TYR 301 0.840 14.018 80.842 45.025 -99.200 -91.000 PHE 318 1.000 33.139 76.292 52.829 -99.200 -91.000 HIS 321 0.900 42.714 68.264 52.843 -99.200 -91.000 TYR 323 0.840 32.659 72.254 52.257 -99.200 -91.000 HIS 329 0.900 17.402 79.707 57.965 -99.200 -91.000 TYR 332 0.840 14.591 80.385 51.852 -99.200 -91.000 HIS 339 0.900 16.080 74.558 39.539 -99.200 -91.000 PHE 343 1.000 23.582 72.036 47.526 -99.200 -91.000 HIS 348 0.900 27.162 63.437 46.220 -99.200 -91.000 HIS 350 0.900 31.394 70.991 39.621 -99.200 -91.000