============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 9 1.000 -57.113 20.542 13.405 -99.200 -91.000 PHE 18 1.000 -58.640 25.724 4.678 -99.200 -91.000 HIS 29 0.900 -40.822 28.732 -16.422 -99.200 -91.000 TYR 37 0.840 -38.955 38.130 -9.750 -99.200 -91.000 HIS 41 0.900 -40.165 41.893 -10.216 -99.200 -91.000 PHE 43 1.000 -39.007 34.978 -0.715 -99.200 -91.000 PHE 64 1.000 -32.157 8.674 0.201 -99.200 -91.000 TYR 72 0.840 -26.702 7.291 1.557 -99.200 -91.000 HIS 95 0.900 -33.691 -0.058 14.089 -99.200 -91.000 TYR 97 0.840 -40.735 8.552 11.719 -99.200 -91.000 TYR 100 0.840 -44.876 5.415 13.249 -99.200 -91.000 PHE 101 1.000 -42.751 6.532 6.438 -99.200 -91.000 PHE 117 1.000 -30.084 15.983 4.940 -99.200 -91.000 TRP 137 1.040 -28.749 38.104 6.651 -99.200 -91.000 TRP6 137 1.020 -29.561 38.966 8.707 -99.200 -91.000 TYR 141 0.840 -23.728 39.324 4.630 -99.200 -91.000 TRP 142 1.040 -20.547 31.860 11.268 -99.200 -91.000 TRP6 142 1.020 -22.096 32.488 12.940 -99.200 -91.000 PHE 148 1.000 -20.645 34.354 19.129 -99.200 -91.000 PHE 152 1.000 -23.036 23.663 9.889 -99.200 -91.000 TYR 156 0.840 -33.793 21.780 9.562 -99.200 -91.000 TYR 165 0.840 -52.518 20.806 11.696 -99.200 -91.000 PHE 168 1.000 -52.846 27.785 10.816 -99.200 -91.000 HIS 169 0.900 -44.714 26.272 12.041 -99.200 -91.000 PHE 172 1.000 -35.099 27.800 12.473 -99.200 -91.000 TRP 178 1.040 -34.094 25.091 0.895 -99.200 -91.000 TRP6 178 1.020 -34.157 22.829 0.204 -99.200 -91.000 TYR 179 0.840 -41.821 21.182 2.944 -99.200 -91.000 HIS 180 0.900 -38.014 18.967 -4.791 -99.200 -91.000 TRP 183 1.040 -40.719 9.413 -1.366 -99.200 -91.000 TRP6 183 1.020 -41.913 8.726 0.561 -99.200 -91.000 PHE 188 1.000 -45.892 23.896 3.219 -99.200 -91.000 TYR 189 0.840 -54.143 23.653 5.425 -99.200 -91.000 TYR 201 0.840 -47.976 32.947 15.435 -99.200 -91.000 TRP 204 1.040 -54.180 30.185 17.976 -99.200 -91.000 TRP6 204 1.020 -52.304 29.075 17.053 -99.200 -91.000 PHE 214 1.000 -57.647 25.957 10.771 -99.200 -91.000 PHE 215 1.000 -53.558 32.775 13.678 -99.200 -91.000 TYR 223 0.840 -54.361 33.737 0.602 -99.200 -91.000 HIS 231 0.900 -45.262 20.505 -8.438 -99.200 -91.000 PHE 234 1.000 -37.627 28.347 -3.646 -99.200 -91.000 TRP 239 1.040 -45.677 35.271 3.961 -99.200 -91.000 TRP6 239 1.020 -47.787 35.160 2.896 -99.200 -91.000 HIS 241 0.900 -45.128 28.054 7.898 -99.200 -91.000 PHE 252 1.000 -34.506 15.219 1.116 -99.200 -91.000 PHE 256 1.000 -33.658 31.457 2.221 -99.200 -91.000 HIS 258 0.900 -34.584 37.274 2.868 -99.200 -91.000 TYR 269 0.840 -33.934 37.278 18.389 -99.200 -91.000 PHE 281 1.000 -33.936 27.647 23.319 -99.200 -91.000 PHE 283 1.000 -29.971 31.593 12.289 -99.200 -91.000 PHE 285 1.000 -24.321 30.751 19.325 -99.200 -91.000 PHE 286 1.000 -32.323 37.075 14.604 -99.200 -91.000 TRP 291 1.040 -24.316 42.160 17.722 -99.200 -91.000 TRP6 291 1.020 -24.219 44.477 18.207 -99.200 -91.000 PHE 292 1.000 -20.202 37.584 12.895 -99.200 -91.000 PHE 309 1.000 -23.223 55.997 -7.489 -99.200 -91.000 TYR 314 0.840 -33.235 45.841 -0.704 -99.200 -91.000 HIS 323 0.900 -29.329 52.955 15.044 -99.200 -91.000 TRP 329 1.040 -31.261 42.975 20.599 -99.200 -91.000 TRP6 329 1.020 -30.415 42.021 18.609 -99.200 -91.000 HIS 338 0.900 -30.184 41.206 24.155 -99.200 -91.000 PHE 340 1.000 -25.206 34.781 25.075 -99.200 -91.000 HIS 350 0.900 -16.619 53.012 15.481 -99.200 -91.000