============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 18 0.840 7.491 75.658 -25.201 -99.200 -91.000 TYR 38 0.840 3.938 74.921 -6.571 -99.200 -91.000 PHE 39 1.000 5.958 75.576 -15.379 -99.200 -91.000 TYR 41 0.840 10.765 76.353 -20.774 -99.200 -91.000 HIS 43 0.900 13.346 79.355 -24.207 -99.200 -91.000 PHE 76 1.000 -2.430 77.618 -16.891 -99.200 -91.000 TRP 81 1.040 17.463 86.198 -13.332 -99.200 -91.000 TRP6 81 1.020 19.382 84.848 -13.551 -99.200 -91.000 TYR 90 0.840 27.648 77.004 -21.985 -99.200 -91.000 HIS 91 0.900 25.782 70.988 -19.963 -99.200 -91.000 TYR 96 0.840 8.442 72.749 -4.737 -99.200 -91.000 PHE 100 1.000 11.522 80.314 -1.763 -99.200 -91.000 TYR 101 0.840 10.934 73.645 -9.529 -99.200 -91.000 TYR 102 0.840 16.247 76.242 -3.323 -99.200 -91.000 TYR 119 0.840 42.303 75.665 -22.561 -99.200 -91.000 TRP 120 1.040 33.357 75.127 -16.626 -99.200 -91.000 TRP6 120 1.020 32.528 73.453 -15.171 -99.200 -91.000 TYR 140 0.840 8.702 84.696 -1.368 -99.200 -91.000 HIS 143 0.900 19.334 85.352 -2.664 -99.200 -91.000 TYR 155 0.840 34.863 62.008 -9.633 -99.200 -91.000 TYR 161 0.840 26.264 65.935 -18.736 -99.200 -91.000 TYR 173 0.840 20.598 64.180 -1.991 -99.200 -91.000 PHE 174 1.000 20.327 71.112 -7.707 -99.200 -91.000 PHE 179 1.000 33.556 67.761 -16.671 -99.200 -91.000 PHE 185 1.000 37.340 54.925 -15.355 -99.200 -91.000 TYR 187 0.840 36.152 49.353 -16.797 -99.200 -91.000 TYR 199 0.840 33.804 41.586 -36.224 -99.200 -91.000 HIS 216 0.900 43.676 66.155 -18.778 -99.200 -91.000 TYR 217 0.840 39.297 66.880 -16.969 -99.200 -91.000 TYR 226 0.840 22.699 74.579 -2.315 -99.200 -91.000 PHE 238 1.000 30.297 63.679 -8.782 -99.200 -91.000 TYR 255 0.840 11.666 59.378 -12.294 -99.200 -91.000 PHE 263 1.000 20.918 58.703 -11.740 -99.200 -91.000 TYR 264 0.840 16.918 58.491 -18.932 -99.200 -91.000 PHE 268 1.000 23.839 61.752 -24.377 -99.200 -91.000 TRP 270 1.040 29.783 50.575 -24.201 -99.200 -91.000 TRP6 270 1.020 28.809 48.805 -22.975 -99.200 -91.000 PHE 276 1.000 13.332 52.975 -16.453 -99.200 -91.000 TRP 289 1.040 22.278 50.554 -13.284 -99.200 -91.000 TRP6 289 1.020 21.876 52.804 -13.873 -99.200 -91.000 PHE 306 1.000 16.046 48.297 -30.986 -99.200 -91.000 TRP 314 1.040 29.806 61.635 -25.727 -99.200 -91.000 TRP6 314 1.020 30.171 63.861 -26.463 -99.200 -91.000 TYR 318 0.840 17.197 63.309 -20.496 -99.200 -91.000 PHE 322 1.000 7.555 60.515 -13.153 -99.200 -91.000 TRP 329 1.040 9.951 49.103 -11.163 -99.200 -91.000 TRP6 329 1.020 11.104 50.646 -12.502 -99.200 -91.000 PHE 335 1.000 11.056 55.718 -24.357 -99.200 -91.000 PHE 347 1.000 3.161 59.062 -23.094 -99.200 -91.000 PHE 350 1.000 9.396 51.767 -20.717 -99.200 -91.000 TYR 357 0.840 -1.085 51.136 -22.390 -99.200 -91.000 PHE 376 1.000 0.982 66.073 -13.980 -99.200 -91.000 TRP 383 1.040 -4.282 63.964 -16.792 -99.200 -91.000 TRP6 383 1.020 -4.665 64.454 -19.062 -99.200 -91.000 TYR 391 0.84