============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 8 0.900 -26.310 30.029 41.126 -99.200 -91.000 TYR 14 0.840 -19.211 19.403 54.016 -99.200 -91.000 TRP 19 1.040 -22.763 20.990 51.306 -99.200 -91.000 TRP6 19 1.020 -22.230 22.963 52.487 -99.200 -91.000 TYR 34 0.840 -27.537 50.947 52.605 -99.200 -91.000 PHE 40 1.000 -28.561 32.108 51.797 -99.200 -91.000 PHE 61 1.000 -6.398 13.281 65.509 -99.200 -91.000 TRP 66 1.040 -6.109 16.806 57.190 -99.200 -91.000 TRP6 66 1.020 -5.484 17.086 54.940 -99.200 -91.000 HIS 88 0.900 -14.675 30.879 43.245 -99.200 -91.000 TYR 108 0.840 -12.949 44.258 45.917 -99.200 -91.000 HIS 115 0.900 -3.732 33.751 47.734 -99.200 -91.000 PHE 118 1.000 -7.533 29.282 54.216 -99.200 -91.000 TYR 120 0.840 3.098 32.050 58.132 -99.200 -91.000 PHE 121 1.000 -1.047 29.600 59.829 -99.200 -91.000 TRP 158 1.040 -20.900 40.362 65.884 -99.200 -91.000 TRP6 158 1.020 -20.110 42.575 65.680 -99.200 -91.000 TYR 160 0.840 -12.560 42.988 60.408 -99.200 -91.000 TRP 167 1.040 -6.531 35.557 61.056 -99.200 -91.000 TRP6 167 1.020 -6.379 37.217 62.703 -99.200 -91.000 PHE 195 1.000 -16.650 24.587 56.760 -99.200 -91.000 PHE 203 1.000 -9.240 19.840 52.814 -99.200 -91.000 HIS 225 0.900 -18.591 15.377 72.722 -99.200 -91.000 PHE 233 1.000 -15.552 33.287 71.875 -99.200 -91.000 HIS 242 0.900 -21.212 29.856 79.363 -99.200 -91.000 PHE 267 1.000 5.068 60.059 73.594 -99.200 -91.000 PHE 272 1.000 -2.070 68.073 64.581 -99.200 -91.000 TYR 284 0.840 -14.153 57.617 64.410 -99.200 -91.000 PHE 285 1.000 -9.430 52.308 58.277 -99.200 -91.000 HIS 286 0.900 -16.806 46.032 60.170 -99.200 -91.000 PHE 307 1.000 -5.512 63.840 68.185 -99.200 -91.000 PHE 324 1.000 -22.488 45.397 48.198 -99.200 -91.000 HIS 338 0.900 -21.947 46.259 68.685 -99.200 -91.000 TYR 345 0.840 -20.551 50.751 77.118 -99.200 -91.000 PHE 373 1.000 -25.693 53.594 57.677 -99.200 -91.000 PHE 374 1.000 -24.189 55.880 67.995 -99.200 -91.000 PHE 394 1.000 -15.820 44.948 68.538 -99.200 -91.000 PHE 403 1.000 1.089 61.383 76.689 -99.200 -91.000 TYR 418 0.840 -10.807 44.425 77.333 -99.200 -91.000 PHE 425 1.000 0.482 57.060 64.881 -99.200 -91.000 TRP 445 1.040 0.127 47.921 64.648 -99.200 -91.000 TRP6 445 1.020 -2.015 48.009 65.610 -99.200 -91.000 PHE 449 1.000 -4.658 51.847 66.078 -99.200 -91.000 HIS 450 0.900 -7.106 49.568 62.366 -99.200 -91.000 TYR 452 0.840 -5.330 42.232 60.728 -99.200 -91.000 PHE 453 1.000 3.034 41.450 59.328 -99.200 -91.000 TRP 458 1.040 -4.474 39.777 66.725 -99.200 -91.000 TRP6 458 1.020 -3.992 42.032 66.256 -99.200 -91.000 TYR 461 0.840 1.520 41.290 76.904 -99.200 -91.000 TYR 478 0.840 -5.533 25.223 65.564 -99.200 -91.000 HIS 483 0.900 11.026 12.605 76.692 -99.200 -91.000 TRP 495 1.040 13.496 0.642 95.490 -99.200 -91.000 TRP6 495 1.020 14.749 2.579 95.890 -99.200 -91.000 PHE 496 1.000 9.984 -1.708 94.874 -99.200 -91.000