============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 11 0.840 -20.546 30.442 18.464 -99.200 -91.000 TRP 23 1.040 -7.240 32.522 7.450 -99.200 -91.000 TRP6 23 1.020 -8.185 32.774 5.294 -99.200 -91.000 TYR 25 0.840 -6.032 34.079 18.684 -99.200 -91.000 PHE 26 1.000 -3.270 31.406 15.254 -99.200 -91.000 TYR 27 0.840 -1.844 33.813 9.978 -99.200 -91.000 PHE 34 1.000 -10.674 36.829 17.462 -99.200 -91.000 PHE 35 1.000 -9.968 37.276 22.362 -99.200 -91.000 TYR 42 0.840 -20.092 40.827 18.452 -99.200 -91.000 TYR 47 0.840 -16.692 39.238 22.135 -99.200 -91.000 PHE 56 1.000 -9.861 17.907 8.682 -99.200 -91.000 PHE 72 1.000 -10.120 35.600 33.382 -99.200 -91.000 PHE 76 1.000 -9.903 33.114 38.675 -99.200 -91.000 TYR 91 0.840 -4.958 21.785 21.198 -99.200 -91.000 TYR 101 0.840 0.960 7.292 33.378 -99.200 -91.000 TYR 106 0.840 -3.510 18.388 29.539 -99.200 -91.000 HIS 114 0.900 -6.529 18.787 41.295 -99.200 -91.000 PHE 122 1.000 0.043 22.466 46.766 -99.200 -91.000 PHE 123 1.000 8.530 16.137 49.857 -99.200 -91.000 PHE 133 1.000 16.096 33.479 48.711 -99.200 -91.000 PHE 136 1.000 17.060 33.574 40.004 -99.200 -91.000 TYR 140 0.840 18.312 32.906 36.194 -99.200 -91.000 PHE 144 1.000 21.440 39.088 34.190 -99.200 -91.000 PHE 159 1.000 16.679 37.087 29.489 -99.200 -91.000 PHE 168 1.000 16.389 20.931 32.297 -99.200 -91.000 PHE 170 1.000 16.173 28.479 39.843 -99.200 -91.000 PHE 175 1.000 11.617 22.867 40.832 -99.200 -91.000 TYR 176 0.840 13.752 17.497 39.872 -99.200 -91.000 TRP 196 1.040 6.851 16.909 25.202 -99.200 -91.000 TRP6 196 1.020 6.563 18.021 27.277 -99.200 -91.000 PHE 199 1.000 6.379 17.240 17.096 -99.200 -91.000 HIS 202 0.900 0.607 21.574 16.027 -99.200 -91.000 HIS 219 0.900 -1.900 28.091 12.833 -99.200 -91.000 PHE 221 1.000 -5.068 17.143 8.506 -99.200 -91.000 TYR 232 0.840 7.802 12.448 27.510 -99.200 -91.000 TYR 236 0.840 10.012 8.171 32.285 -99.200 -91.000 PHE 238 1.000 17.845 15.888 34.376 -99.200 -91.000 PHE 239 1.000 12.520 16.110 34.547 -99.200 -91.000 HIS 262 0.900 5.629 9.286 31.670 -99.200 -91.000 PHE 266 1.000 2.393 19.057 31.196 -99.200 -91.000 PHE 270 1.000 2.794 22.709 28.744 -99.200 -91.000 TRP 273 1.040 13.083 25.660 30.178 -99.200 -91.000 TRP6 273 1.020 12.263 25.637 27.956 -99.200 -91.000 PHE 280 1.000 12.765 34.659 35.178 -99.200 -91.000 HIS 292 0.900 18.583 54.550 30.750 -99.200 -91.000 HIS 295 0.900 16.023 50.377 33.664 -99.200 -91.000 TYR 329 0.840 2.645 41.070 44.015 -99.200 -91.000 PHE 334 1.000 0.993 46.870 30.218 -99.200 -91.000 TYR 342 0.840 -10.021 27.866 26.107 -99.200 -91.000 HIS 354 0.900 -16.831 45.854 35.201 -99.200 -91.000 PHE 358 1.000 -23.915 39.486 29.036 -99.200 -91.000 TYR 367 0.840 -10.518 32.755 25.440 -99.200 -91.000 TYR 369 0.840 -6.337 38.446 25.325 -99.200 -91.000 PHE 380 1.000 -5.851 46.335 38.403 -99.200 -91.000 PHE 386 1.000 5.650 47.723 34.039 -99.200 -91.000 PHE 391 1.000 -0.509 45.634 41.740 -99.200 -91.000 HIS 402 0.900 -10.172 43.396 41.606 -99.200 -91.000 TRP 405 1.040 0.625 35.363 38.755 -99.200 -91.000 TRP6 405 1.020 1.642 33.212 38.654 -99.200 -91.000 PHE 426 1.000 10.269 27.942 41.839 -99.200 -91.000 PHE 434 1.000 15.199 38.074 34.966 -99.200 -91.000 PHE 439 1.000 16.959 46.946 37.708 -99.200 -91.000 TYR 442 0.840 24.161 44.135 34.571 -99.200 -91.000 PHE 445 1.000 17.197 46.437 31.801 -99.200 -91.000 PHE 460 1.000 19.491 42.479 29.058 -99.200 -91.000