============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 25 1.040 112.715 22.509 176.163 -99.200 -91.000 TRP6 25 1.020 114.772 21.358 176.317 -99.200 -91.000 PHE 56 1.000 105.012 19.128 167.890 -99.200 -91.000 PHE 94 1.000 104.261 25.084 147.732 -99.200 -91.000 TYR 104 0.840 96.277 28.405 122.391 -99.200 -91.000 TYR 109 0.840 104.170 37.695 103.714 -99.200 -91.000 TYR 110 0.840 95.643 38.551 101.509 -99.200 -91.000 TYR 116 0.840 94.709 44.735 82.675 -99.200 -91.000 TRP 123 1.040 85.508 45.903 97.195 -99.200 -91.000 TRP6 123 1.020 84.297 44.153 98.216 -99.200 -91.000 PHE 147 1.000 100.416 44.256 101.956 -99.200 -91.000 PHE 150 1.000 101.295 36.031 93.076 -99.200 -91.000 TYR 158 0.840 107.400 33.767 81.652 -99.200 -91.000 TYR 160 0.840 102.260 42.687 77.273 -99.200 -91.000 TYR 172 0.840 102.688 53.954 75.396 -99.200 -91.000 PHE 182 1.000 104.929 43.743 91.635 -99.200 -91.000 TYR 184 0.840 107.735 37.978 97.790 -99.200 -91.000 HIS 186 0.900 108.160 41.616 103.454 -99.200 -91.000 PHE 197 1.000 97.226 43.202 106.462 -99.200 -91.000 PHE 217 1.000 102.944 26.994 92.858 -99.200 -91.000 TRP 232 1.040 107.358 33.237 108.295 -99.200 -91.000 TRP6 232 1.020 105.022 33.128 107.945 -99.200 -91.000 HIS 238 0.900 105.456 29.891 112.083 -99.200 -91.000 PHE 242 1.000 99.436 31.743 95.437 -99.200 -91.000 HIS 249 0.900 104.462 30.585 84.105 -99.200 -91.000 HIS 268 0.900 118.655 33.489 96.280 -99.200 -91.000 HIS 274 0.900 111.085 45.025 94.070 -99.200 -91.000 TYR 275 0.840 112.934 35.054 93.630 -99.200 -91.000 TYR 283 0.840 108.122 30.485 86.976 -99.200 -91.000 PHE 302 1.000 97.760 26.328 96.946 -99.200 -91.000 TYR 312 0.840 95.923 27.403 92.282 -99.200 -91.000 TYR 315 0.840 98.951 22.615 90.749 -99.200 -91.000 TYR 342 0.840 92.971 30.874 118.051 -99.200 -91.000 PHE 364 1.000 107.534 20.511 141.198 -99.200 -91.000 PHE 391 1.000 101.099 21.454 137.225 -99.200 -91.000 PHE 408 1.000 110.488 27.815 146.237 -99.200 -91.000 PHE 415 1.000 100.956 29.657 130.930 -99.200 -91.000 PHE 425 1.000 114.899 27.967 155.441 -99.200 -91.000 HIS 440 0.900 117.802 34.520 190.244 -99.200 -91.000 PHE 449 1.000 116.393 28.949 184.486 -99.200 -91.000