============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 -55.377 -22.237 -20.071 -99.200 -91.000 TYR 20 0.840 -40.118 -20.547 -13.804 -99.200 -91.000 TYR 27 0.840 -32.189 -10.851 -31.461 -99.200 -91.000 TYR 35 0.840 -33.051 -0.066 -27.178 -99.200 -91.000 PHE 42 1.000 -40.819 -10.382 -26.892 -99.200 -91.000 PHE 49 1.000 -47.035 -18.732 -28.735 -99.200 -91.000 TRP 55 1.040 -51.303 -24.680 -24.252 -99.200 -91.000 TRP6 55 1.020 -48.937 -24.638 -24.020 -99.200 -91.000 PHE 74 1.000 -54.293 -31.434 -13.118 -99.200 -91.000 PHE 78 1.000 -49.985 -15.749 -13.339 -99.200 -91.000 TYR 106 0.840 -20.685 -12.453 -28.292 -99.200 -91.000 PHE 111 1.000 -25.351 -13.332 -22.322 -99.200 -91.000 PHE 143 1.000 -35.374 -1.164 -23.876 -99.200 -91.000 HIS 156 0.900 -36.715 -28.772 -16.978 -99.200 -91.000 PHE 180 1.000 -48.645 -19.600 -34.064 -99.200 -91.000 TYR 198 0.840 -48.931 -43.916 -17.813 -99.200 -91.000 TYR 202 0.840 -41.968 -50.907 -14.790 -99.200 -91.000 HIS 210 0.900 -27.566 -46.224 -13.139 -99.200 -91.000 TRP 226 1.040 -22.858 -22.218 -13.412 -99.200 -91.000 TRP6 226 1.020 -23.368 -24.022 -14.867 -99.200 -91.000 PHE 228 1.000 -21.651 -19.367 -21.612 -99.200 -91.000 PHE 229 1.000 -13.969 -24.079 -20.118 -99.200 -91.000 PHE 231 1.000 -14.831 -27.477 -26.640 -99.200 -91.000 PHE 253 1.000 -24.096 -43.610 -36.727 -99.200 -91.000 PHE 263 1.000 -11.318 -32.745 -25.419 -99.200 -91.000 TRP 265 1.040 -17.161 -39.497 -18.008 -99.200 -91.000 TRP6 265 1.020 -18.175 -41.475 -18.798 -99.200 -91.000 PHE 284 1.000 -21.409 -37.600 -20.204 -99.200 -91.000 TYR 300 0.840 -45.651 -32.942 -26.085 -99.200 -91.000 TYR 309 0.840 -29.202 -42.368 -15.767 -99.200 -91.000 HIS 310 0.900 -23.689 -43.347 -21.253 -99.200 -91.000 TYR 348 0.840 -40.943 -46.117 -9.199 -99.200 -91.000 HIS 350 0.900 -50.627 -43.406 -14.244 -99.200 -91.000 TRP 375 1.040 -30.251 -26.910 -23.231 -99.200 -91.000 TRP6 375 1.020 -30.160 -24.918 -21.958 -99.200 -91.000 TRP 381 1.040 -27.111 -19.978 -32.442 -99.200 -91.000 TRP6 381 1.020 -25.572 -18.170 -32.418 -99.200 -91.000 TYR 383 0.840 -36.431 -19.764 -33.289 -99.200 -91.000 PHE 385 1.000 -37.919 -14.055 -30.805 -99.200 -91.000 PHE 400 1.000 -28.007 -22.369 -12.831 -99.200 -91.000 TYR 408 0.840 -27.352 -26.461 -18.480 -99.200 -91.000 PHE 409 1.000 -22.028 -30.444 -25.315 -99.200 -91.000 PHE 418 1.000 -21.505 -28.637 -30.724 -99.200 -91.000 TRP 438 1.040 -10.404 -27.638 -21.270 -99.200 -91.000 TRP6 438 1.020 -12.479 -28.752 -21.648 -99.200 -91.000 TYR 441 0.840 -8.965 -31.230 -29.752 -99.200 -91.000 TYR 444 0.840 -12.027 -18.998 -18.670 -99.200 -91.000