============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.318 -6.133 35.436 -99.200 -91.000 TYR 15 0.840 20.555 -8.900 27.237 -99.200 -91.000 PHE 38 1.000 21.200 3.199 20.045 -99.200 -91.000 HIS 45 0.900 35.663 -7.144 21.561 -99.200 -91.000 PHE 47 1.000 35.696 -10.914 25.438 -99.200 -91.000 HIS 49 0.900 27.324 -14.210 21.649 -99.200 -91.000 TYR 51 0.840 30.230 -7.028 12.800 -99.200 -91.000 TYR 52 0.840 24.489 0.174 12.513 -99.200 -91.000 TYR 60 0.840 26.040 4.959 8.440 -99.200 -91.000 TYR 68 0.840 38.132 8.228 24.920 -99.200 -91.000 TYR 71 0.840 30.719 3.953 28.891 -99.200 -91.000 TRP 76 1.040 31.957 3.121 23.676 -99.200 -91.000 TRP6 76 1.020 31.261 4.833 22.208 -99.200 -91.000 HIS 89 0.900 9.641 -8.481 22.697 -99.200 -91.000 PHE 108 1.000 31.056 -0.696 26.007 -99.200 -91.000 PHE 109 1.000 31.567 -4.135 22.538 -99.200 -91.000 TRP 115 1.040 25.888 -6.224 27.639 -99.200 -91.000 TRP6 115 1.020 27.646 -4.738 27.104 -99.200 -91.000 TYR 123 0.840 17.860 14.466 32.068 -99.200 -91.000 PHE 136 1.000 15.999 5.434 21.466 -99.200 -91.000 PHE 137 1.000 12.679 8.334 27.210 -99.200 -91.000 HIS 145 0.900 1.504 12.037 18.863 -99.200 -91.000 PHE 150 1.000 14.130 6.022 31.600 -99.200 -91.000 HIS 166 0.900 -0.188 2.338 38.753 -99.200 -91.000 TYR 169 0.840 3.838 1.001 41.838 -99.200 -91.000 TRP 174 1.040 7.315 7.046 49.876 -99.200 -91.000 TRP6 174 1.020 6.808 8.899 51.240 -99.200 -91.000 TYR 175 0.840 7.086 10.192 42.066 -99.200 -91.000 TRP 182 1.040 24.616 16.521 36.168 -99.200 -91.000 TRP6 182 1.020 26.947 16.697 36.512 -99.200 -91.000 TYR 183 0.840 26.957 11.890 35.451 -99.200 -91.000 TYR 184 0.840 17.918 10.001 34.382 -99.200 -91.000 TYR 205 0.840 25.689 10.752 54.452 -99.200 -91.000 TYR 207 0.840 34.284 15.095 47.226 -99.200 -91.000 PHE 226 1.000 34.622 1.221 50.807 -99.200 -91.000 PHE 242 1.000 32.877 -12.299 56.576 -99.200 -91.000 PHE 246 1.000 33.191 -9.785 51.924 -99.200 -91.000 TRP 247 1.040 35.371 -6.531 55.249 -99.200 -91.000 TRP6 247 1.020 33.025 -6.431 55.489 -99.200 -91.000 TRP 255 1.040 29.363 -18.096 54.772 -99.200 -91.000 TRP6 255 1.020 29.109 -16.003 53.709 -99.200 -91.000 TRP 262 1.040 20.981 -14.941 53.097 -99.200 -91.000 TRP6 262 1.020 22.241 -13.835 51.436 -99.200 -91.000 PHE 265 1.000 27.395 -10.470 55.938 -99.200 -91.000 TYR 271 0.840 16.661 7.656 56.576 -99.200 -91.000 PHE 281 1.000 12.103 8.781 48.777 -99.200 -91.000 TYR 290 0.840 24.972 -5.335 52.336 -99.200 -91.000 TYR 305 0.840 26.514 -15.013 48.490 -99.200 -91.000 PHE 307 1.000 31.115 -4.719 51.179 -99.200 -91.000 PHE 326 1.000 14.482 -0.786 46.777 -99.200 -91.000 TYR 327 0.840 7.842 0.397 38.281 -99.200 -91.000 PHE 330 1.000 15.685 6.124 36.142 -99.200 -91.000 PHE 339 1.000 14.640 5.442 44.048 -99.200 -91.000 HIS 345 0.900 8.797 -8.368 47.740 -99.200 -91.000 HIS 347 0.900 10.338 -11.120 50.893 -99.200 -91.000 PHE 350 1.000 14.064 -14.729 60.886 -99.200 -91.000 PHE 359 1.000 11.784 7.852 57.924 -99.200 -91.000 TYR 369 0.840 31.489 18.912 47.595 -99.200 -91.000