============================================================================= 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 -3.564 10.414 -28.018 -99.200 -91.000 TYR 14 0.840 -5.459 7.789 -10.891 -99.200 -91.000 TRP 19 1.040 -4.182 6.759 -15.258 -99.200 -91.000 TRP6 19 1.020 -6.531 6.686 -15.508 -99.200 -91.000 TYR 34 0.840 -26.874 3.880 -35.293 -99.200 -91.000 PHE 40 1.000 -11.352 2.646 -24.823 -99.200 -91.000 PHE 61 1.000 -10.859 10.995 6.272 -99.200 -91.000 TRP 66 1.040 -9.347 16.318 -0.886 -99.200 -91.000 TRP6 66 1.020 -8.581 18.166 -2.128 -99.200 -91.000 HIS 88 0.900 -10.412 18.646 -22.402 -99.200 -91.000 TYR 108 0.840 -23.154 19.208 -28.029 -99.200 -91.000 HIS 115 0.900 -18.594 24.812 -15.981 -99.200 -91.000 PHE 118 1.000 -17.195 17.676 -11.125 -99.200 -91.000 TYR 120 0.840 -24.825 24.162 -5.113 -99.200 -91.000 PHE 121 1.000 -22.456 19.649 -4.580 -99.200 -91.000 TRP 158 1.040 -27.602 0.679 -17.319 -99.200 -91.000 TRP6 158 1.020 -29.572 1.468 -18.343 -99.200 -91.000 TYR 160 0.840 -29.641 10.939 -17.939 -99.200 -91.000 TRP 167 1.040 -25.995 14.904 -10.233 -99.200 -91.000 TRP6 167 1.020 -28.244 14.193 -10.159 -99.200 -91.000 PHE 195 1.000 -11.838 8.619 -11.104 -99.200 -91.000 PHE 203 1.000 -8.389 16.582 -6.902 -99.200 -91.000 HIS 225 0.900 -12.405 -2.934 3.316 -99.200 -91.000 PHE 233 1.000 -27.026 1.256 -6.715 -99.200 -91.000 HIS 242 0.900 -26.427 -8.024 -2.889 -99.200 -91.000 PHE 267 1.000 -55.673 18.307 -11.575 -99.200 -91.000 PHE 272 1.000 -55.240 18.104 -25.366 -99.200 -91.000 TYR 284 0.840 -42.850 8.075 -25.391 -99.200 -91.000 PHE 285 1.000 -37.017 15.215 -23.496 -99.200 -91.000 HIS 286 0.900 -30.567 7.828 -22.283 -99.200 -91.000 PHE 307 1.000 -52.649 12.890 -22.454 -99.200 -91.000 PHE 324 1.000 -21.832 10.319 -32.132 -99.200 -91.000 HIS 338 0.900 -33.613 -1.257 -19.878 -99.200 -91.000 TYR 345 0.840 -42.020 -5.029 -16.927 -99.200 -91.000 PHE 373 1.000 -32.311 2.652 -32.853 -99.200 -91.000 PHE 374 1.000 -40.085 -2.098 -27.319 -99.200 -91.000 PHE 394 1.000 -34.374 3.598 -15.953 -99.200 -91.000 PHE 403 1.000 -56.854 13.395 -12.500 -99.200 -91.000 TYR 418 0.840 -40.072 2.370 -7.791 -99.200 -91.000 PHE 425 1.000 -47.334 19.542 -17.374 -99.200 -91.000 TRP 445 1.040 -39.898 18.917 -12.237 -99.200 -91.000 TRP6 445 1.020 -39.694 16.622 -12.747 -99.200 -91.000 PHE 449 1.000 -42.053 14.346 -16.115 -99.200 -91.000 HIS 450 0.900 -37.629 14.531 -18.279 -99.200 -91.000 TYR 452 0.840 -31.535 16.440 -13.871 -99.200 -91.000 PHE 453 1.000 -32.883 24.026 -10.170 -99.200 -91.000 TRP 458 1.040 -32.983 13.535 -8.325 -99.200 -91.000 TRP6 458 1.020 -34.670 14.350 -9.750 -99.200 -91.000 TYR 461 0.840 -41.423 12.396 0.092 -99.200 -91.000 TYR 478 0.840 -20.576 12.439 -0.653 -99.200 -91.000 HIS 483 0.900 -21.820 18.514 22.147 -99.200 -91.000 TRP 495 1.040 -22.927 8.559 42.250 -99.200 -91.000 TRP6 495 1.020 -25.075 9.469 41.967 -99.200 -91.000 PHE 496 1.000 -19.538 5.826 41.550 -99.200 -91.000