============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.493 55.147 -0.552 -99.200 -91.000 PHE 14 1.000 97.430 61.488 29.781 -99.200 -91.000 HIS 24 0.900 90.483 51.059 3.941 -99.200 -91.000 TYR 38 0.840 80.334 30.755 15.388 -99.200 -91.000 TYR 56 0.840 73.469 6.963 20.657 -99.200 -91.000 PHE 70 1.000 76.298 11.541 20.942 -99.200 -91.000 TRP 80 1.040 79.887 24.869 14.407 -99.200 -91.000 TRP6 80 1.020 79.664 24.082 16.626 -99.200 -91.000 TYR 89 0.840 86.087 14.423 6.815 -99.200 -91.000 HIS 91 0.900 79.814 8.740 13.246 -99.200 -91.000 TYR 102 0.840 92.110 11.194 8.929 -99.200 -91.000 TYR 104 0.840 84.434 7.524 16.310 -99.200 -91.000 TRP 121 1.040 94.107 26.813 28.422 -99.200 -91.000 TRP6 121 1.020 95.922 27.974 29.395 -99.200 -91.000 HIS 124 0.900 93.708 34.383 24.750 -99.200 -91.000 TYR 133 0.840 82.260 28.724 11.462 -99.200 -91.000 HIS 136 0.900 88.416 21.853 12.199 -99.200 -91.000 TYR 144 0.840 93.884 32.112 7.868 -99.200 -91.000 TYR 147 0.840 102.139 21.455 7.775 -99.200 -91.000 HIS 162 0.900 108.476 25.918 -8.765 -99.200 -91.000 TYR 172 0.840 113.500 29.901 5.095 -99.200 -91.000 TYR 179 0.840 104.066 32.759 11.137 -99.200 -91.000 TYR 182 0.840 104.079 41.364 2.938 -99.200 -91.000 TYR 187 0.840 116.295 35.763 14.270 -99.200 -91.000 PHE 190 1.000 103.979 26.906 15.112 -99.200 -91.000 PHE 193 1.000 110.092 33.411 20.969 -99.200 -91.000 TYR 227 0.840 118.328 41.121 14.902 -99.200 -91.000 PHE 230 1.000 110.469 44.536 15.432 -99.200 -91.000 PHE 246 1.000 94.133 45.322 20.880 -99.200 -91.000 HIS 248 0.900 104.044 45.439 24.240 -99.200 -91.000 PHE 253 1.000 108.026 48.310 22.316 -99.200 -91.000 TRP 256 1.040 103.994 43.206 32.107 -99.200 -91.000 TRP6 256 1.020 102.236 42.140 30.926 -99.200 -91.000 TRP 268 1.040 102.301 36.283 30.317 -99.200 -91.000 TRP6 268 1.020 101.647 34.530 31.757 -99.200 -91.000 TRP 269 1.040 96.454 34.922 31.469 -99.200 -91.000 TRP6 269 1.020 96.935 33.185 33.002 -99.200 -91.000 TYR 281 0.840 94.481 18.919 24.511 -99.200 -91.000 HIS 309 0.900 92.479 36.277 18.463 -99.200 -91.000 PHE 317 1.000 84.922 41.334 13.197 -99.200 -91.000 TYR 325 0.840 75.603 24.200 19.686 -99.200 -91.000