============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 12 1.000 34.089 79.797 17.605 -99.200 -91.000 TYR 18 0.840 45.582 76.363 14.150 -99.200 -91.000 PHE 33 1.000 43.616 56.124 22.883 -99.200 -91.000 TYR 52 0.840 38.906 53.954 21.292 -99.200 -91.000 TYR 53 0.840 35.624 58.274 28.241 -99.200 -91.000 TRP 58 1.040 43.530 71.755 19.773 -99.200 -91.000 TRP6 58 1.020 41.848 70.077 19.797 -99.200 -91.000 TRP 65 1.040 37.214 84.392 26.563 -99.200 -91.000 TRP6 65 1.020 37.187 82.121 25.953 -99.200 -91.000 TYR 70 0.840 34.482 88.671 24.768 -99.200 -91.000 PHE 76 1.000 33.406 79.071 23.589 -99.200 -91.000 TRP 84 1.040 42.947 72.260 12.734 -99.200 -91.000 TRP6 84 1.020 44.230 71.115 14.353 -99.200 -91.000 TYR 91 0.840 49.268 56.189 12.299 -99.200 -91.000 HIS 109 0.900 41.054 82.345 30.706 -99.200 -91.000 PHE 115 1.000 36.176 66.131 19.511 -99.200 -91.000 PHE 123 1.000 42.744 46.554 17.823 -99.200 -91.000 PHE 142 1.000 44.167 54.843 18.558 -99.200 -91.000 TRP 145 1.040 46.029 59.539 6.619 -99.200 -91.000 TRP6 145 1.020 46.449 57.295 7.166 -99.200 -91.000 TYR 147 0.840 48.522 68.895 10.037 -99.200 -91.000 PHE 150 1.000 60.728 68.436 11.555 -99.200 -91.000 TYR 166 0.840 37.282 46.380 30.134 -99.200 -91.000 TYR 167 0.840 29.638 45.492 30.619 -99.200 -91.000 TYR 172 0.840 36.789 39.019 24.844 -99.200 -91.000 HIS 185 0.900 63.657 60.357 14.223 -99.200 -91.000 TYR 188 0.840 56.799 61.070 9.285 -99.200 -91.000 PHE 197 1.000 42.137 41.000 23.962 -99.200 -91.000