============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TRP 10 1.040 -77.618 -35.174 26.382 -99.200 -91.000 TRP6 10 1.020 -76.376 -35.971 28.229 -99.200 -91.000 TYR 17 0.840 -80.901 -24.301 22.157 -99.200 -91.000 PHE 27 1.000 -87.296 -39.078 13.876 -99.200 -91.000 HIS 39 0.900 -77.789 -25.311 26.984 -99.200 -91.000 PHE 47 1.000 -71.056 -40.352 25.228 -99.200 -91.000 PHE 61 1.000 -75.332 -33.438 16.940 -99.200 -91.000 TRP 62 1.040 -66.773 -31.866 22.087 -99.200 -91.000 TRP6 62 1.020 -67.901 -30.172 23.294 -99.200 -91.000 HIS 64 0.900 -61.472 -35.164 14.594 -99.200 -91.000 PHE 67 1.000 -68.120 -38.122 18.931 -99.200 -91.000 TYR 70 0.840 -66.331 -38.959 24.341 -99.200 -91.000 PHE 85 1.000 -76.469 -40.357 4.746 -99.200 -91.000 TYR 90 0.840 -66.669 -31.793 0.412 -99.200 -91.000 PHE 92 1.000 -61.802 -33.293 3.888 -99.200 -91.000 TRP 94 1.040 -67.405 -40.437 4.336 -99.200 -91.000 TRP6 94 1.020 -69.095 -40.560 5.996 -99.200 -91.000 TYR 99 0.840 -60.303 -46.574 18.888 -99.200 -91.000 TYR 106 0.840 -74.590 -41.261 10.383 -99.200 -91.000 TYR 117 0.840 -57.132 -11.095 2.769 -99.200 -91.000 TRP 129 1.040 -46.389 -20.336 5.085 -99.200 -91.000 TRP6 129 1.020 -46.769 -19.173 7.107 -99.200 -91.000 PHE 149 1.000 -48.197 -17.215 13.869 -99.200 -91.000 TYR 155 0.840 -55.566 -25.694 16.698 -99.200 -91.000 PHE 156 1.000 -53.844 -20.648 17.822 -99.200 -91.000 TRP 158 1.040 -48.794 -29.834 12.493 -99.200 -91.000 TRP6 158 1.020 -46.919 -31.085 13.200 -99.200 -91.000 TYR 167 0.840 -45.379 -38.168 9.105 -99.200 -91.000 PHE 169 1.000 -48.902 -40.153 17.129 -99.200 -91.000 TYR 171 0.840 -53.317 -42.081 6.282 -99.200 -91.000 TYR 176 0.840 -54.805 -41.707 13.360 -99.200 -91.000 PHE 194 1.000 -40.029 -18.917 6.309 -99.200 -91.000 HIS 203 0.900 -38.505 -10.411 8.722 -99.200 -91.000 TYR 210 0.840 -56.872 -16.344 20.413 -99.200 -91.000 PHE 217 1.000 -56.607 -8.688 10.881 -99.200 -91.000 TRP 230 1.040 -61.461 -19.134 17.399 -99.200 -91.000 TRP6 230 1.020 -60.697 -21.102 16.333 -99.200 -91.000 TRP 232 1.040 -64.212 -16.144 10.452 -99.200 -91.000 TRP6 232 1.020 -65.342 -17.558 8.923 -99.200 -91.000 TYR 242 0.840 -63.448 -10.216 8.237 -99.200 -91.000 PHE 250 1.000 -41.019 -23.871 4.484 -99.200 -91.000 PHE 258 1.000 -53.042 -31.450 13.720 -99.200 -91.000 PHE 279 1.000 -82.774 -36.540 14.318 -99.200 -91.000 TYR 283 0.840 -86.814 -37.051 8.912 -99.200 -91.000 TYR 307 0.840 -76.286 -25.789 4.045 -99.200 -91.000 PHE 339 1.000 -47.762 -33.706 17.673 -99.200 -91.000 TRP 340 1.040 -52.469 -31.687 21.700 -99.200 -91.000 TRP6 340 1.020 -52.239 -30.485 19.675 -99.200 -91.000 TYR 341 0.840 -45.337 -31.034 29.034 -99.200 -91.000 PHE 381 1.000 -49.487 -44.207 38.693 -99.200 -91.000 PHE 387 1.000 -57.824 -56.520 42.645 -99.200 -91.000