============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TRP 15 1.040 -5.476 -21.748 24.861 -99.200 -91.000 TRP6 15 1.020 -3.863 -20.981 23.315 -99.200 -91.000 TRP 20 1.040 -9.887 -21.352 27.215 -99.200 -91.000 TRP6 20 1.020 -10.320 -19.040 27.406 -99.200 -91.000 TYR 27 0.840 -3.105 -15.155 20.872 -99.200 -91.000 PHE 45 1.000 -7.650 -10.546 46.191 -99.200 -91.000 TRP 54 1.040 -17.081 -20.708 32.193 -99.200 -91.000 TRP6 54 1.020 -17.212 -19.617 30.103 -99.200 -91.000 HIS 58 0.900 -21.119 -20.463 30.855 -99.200 -91.000 TYR 65 0.840 -32.054 -11.483 35.485 -99.200 -91.000 TYR 89 0.840 -20.221 -1.834 34.485 -99.200 -91.000 TRP 92 1.040 -20.492 8.905 32.439 -99.200 -91.000 TRP6 92 1.020 -21.094 10.163 34.355 -99.200 -91.000 TYR 104 0.840 -10.120 14.586 33.789 -99.200 -91.000 TYR 110 0.840 -10.440 7.094 33.273 -99.200 -91.000 PHE 126 1.000 -15.863 -7.406 47.038 -99.200 -91.000 TRP 134 1.040 -10.279 -17.523 58.868 -99.200 -91.000 TRP6 134 1.020 -10.868 -19.440 57.623 -99.200 -91.000 TYR 145 0.840 -18.731 -17.845 53.409 -99.200 -91.000 TYR 148 0.840 -18.205 -10.253 53.410 -99.200 -91.000 PHE 149 1.000 -12.063 -12.211 48.729 -99.200 -91.000 PHE 160 1.000 -7.629 4.739 29.220 -99.200 -91.000 PHE 167 1.000 0.574 -7.744 26.340 -99.200 -91.000 HIS 180 0.900 -16.922 -2.386 29.533 -99.200 -91.000 PHE 181 1.000 -9.829 -4.009 26.308 -99.200 -91.000 TYR 241 0.840 -17.613 -7.461 9.011 -99.200 -91.000 PHE 245 1.000 -23.353 -1.935 8.195 -99.200 -91.000 PHE 255 1.000 -13.208 11.812 12.283 -99.200 -91.000 PHE 256 1.000 -13.685 7.118 4.602 -99.200 -91.000 TYR 272 0.840 -16.430 -5.777 17.419 -99.200 -91.000 TYR 275 0.840 -11.483 -12.355 16.547 -99.200 -91.000 TRP 280 1.040 -22.940 -3.383 26.261 -99.200 -91.000 TRP6 280 1.020 -21.332 -2.276 27.606 -99.200 -91.000 PHE 294 1.000 -26.135 -7.147 19.345 -99.200 -91.000 HIS 299 0.900 -28.414 -15.621 21.126 -99.200 -91.000 PHE 302 1.000 -20.626 -16.019 15.751 -99.200 -91.000 TYR 309 0.840 -30.199 -3.949 26.955 -99.200 -91.000 PHE 315 1.000 -36.231 5.000 28.341 -99.200 -91.000 TRP 317 1.040 -35.448 3.192 33.149 -99.200 -91.000 TRP6 317 1.020 -35.329 1.110 32.040 -99.200 -91.000 PHE 329 1.000 -35.441 -3.271 29.678 -99.200 -91.000 TYR 337 0.840 -29.545 -8.887 25.101 -99.200 -91.000 TYR 339 0.840 -22.061 -8.276 33.885 -99.200 -91.000 PHE 341 1.000 -23.279 -3.344 31.909 -99.200 -91.000 HIS 348 0.900 -27.479 9.277 38.330 -99.200 -91.000 TRP 350 1.040 -21.722 12.145 43.168 -99.200 -91.000 TRP6 350 1.020 -21.033 13.362 41.265 -99.200 -91.000 PHE 351 1.000 -32.043 11.716 45.849 -99.200 -91.000 PHE 353 1.000 -29.615 18.716 46.442 -99.200 -91.000 HIS 357 0.900 -32.602 21.700 49.910 -99.200 -91.000 TYR 359 0.840 -26.096 18.775 59.026 -99.200 -91.000 HIS 366 0.900 -34.060 17.995 58.345 -99.200 -91.000 TYR 367 0.840 -26.550 10.945 60.510 -99.200 -91.000 PHE 376 1.000 -30.580 2.774 65.001 -99.200 -91.000 TYR 383 0.840 -26.580 -0.582 56.673 -99.200 -91.000 PHE 385 1.000 -20.711 2.014 58.179 -99.200 -91.000 HIS 388 0.900 -19.441 3.405 64.576 -99.200 -91.000 TYR 396 0.840 -7.906 -8.896 60.719 -99.200 -91.000 PHE 397 1.000 -6.180 -3.980 61.087 -99.200 -91.000