============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 18 1.040 29.162 27.941 26.099 -99.200 -91.000 TRP6 18 1.020 31.238 26.860 26.401 -99.200 -91.000 PHE 30 1.000 22.189 13.771 35.939 -99.200 -91.000 HIS 41 0.900 18.794 12.422 19.623 -99.200 -91.000 PHE 46 1.000 27.702 16.186 25.656 -99.200 -91.000 PHE 100 1.000 25.112 22.633 15.756 -99.200 -91.000 TYR 103 0.840 33.255 24.843 18.348 -99.200 -91.000 HIS 111 0.900 34.175 25.170 31.689 -99.200 -91.000 PHE 149 1.000 5.971 19.925 38.222 -99.200 -91.000 HIS 152 0.900 -6.013 15.058 31.874 -99.200 -91.000 PHE 153 1.000 -2.043 20.919 34.236 -99.200 -91.000 TYR 156 0.840 3.655 10.519 26.792 -99.200 -91.000 TYR 157 0.840 1.666 10.515 19.740 -99.200 -91.000 TYR 166 0.840 -7.757 40.810 15.845 -99.200 -91.000 PHE 175 1.000 -20.963 35.271 13.178 -99.200 -91.000 TYR 180 0.840 -26.843 28.790 25.556 -99.200 -91.000 TYR 186 0.840 -14.128 29.443 20.443 -99.200 -91.000 TYR 196 0.840 -18.514 22.166 3.738 -99.200 -91.000 PHE 199 1.000 -12.008 25.140 3.628 -99.200 -91.000 HIS 200 0.900 -15.553 17.752 0.787 -99.200 -91.000 TYR 219 0.840 -21.234 18.962 0.888 -99.200 -91.000 PHE 224 1.000 -23.547 15.142 10.425 -99.200 -91.000 PHE 242 1.000 -24.142 24.290 3.884 -99.200 -91.000 TRP 257 1.040 -7.061 36.182 17.439 -99.200 -91.000 TRP6 257 1.020 -9.230 36.138 18.359 -99.200 -91.000 PHE 262 1.000 -10.266 24.201 9.457 -99.200 -91.000 TRP 268 1.040 4.355 23.702 7.183 -99.200 -91.000 TRP6 268 1.020 6.001 24.830 8.450 -99.200 -91.000 TYR 289 0.840 2.416 27.751 7.078 -99.200 -91.000 HIS 293 0.900 5.734 16.601 15.341 -99.200 -91.000 TYR 297 0.840 3.154 19.910 23.643 -99.200 -91.000 PHE 310 1.000 8.687 22.749 35.628 -99.200 -91.000 TYR 317 0.840 15.484 27.399 36.670 -99.200 -91.000 TYR 328 0.840 17.460 21.228 14.102 -99.200 -91.000 PHE 336 1.000 21.164 33.491 26.962 -99.200 -91.000 TYR 366 0.840 2.127 31.466 22.099 -99.200 -91.000 PHE 375 1.000 1.808 25.740 24.945 -99.200 -91.000 TYR 379 0.840 6.959 27.771 13.460 -99.200 -91.000 TRP 382 1.040 8.643 38.649 11.467 -99.200 -91.000 TRP6 382 1.020 10.317 39.646 12.807 -99.200 -91.000 TYR 402 0.840 17.220 41.214 12.026 -99.200 -91.000 PHE 409 1.000 18.745 38.724 23.462 -99.200 -91.000 TRP 412 1.040 17.308 41.198 29.322 -99.200 -91.000 TRP6 412 1.020 18.083 39.034 28.763 -99.200 -91.000