============================================================================= 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 1 0.840 42.514 -17.214 32.597 -99.200 -91.000 TYR 27 0.840 36.609 -7.936 37.271 -99.200 -91.000 PHE 32 1.000 35.611 -16.073 41.493 -99.200 -91.000 TYR 39 0.840 34.897 -18.477 50.639 -99.200 -91.000 TYR 41 0.840 31.682 -12.610 41.400 -99.200 -91.000 TYR 44 0.840 31.814 -7.287 46.116 -99.200 -91.000 HIS 48 0.900 22.812 -6.337 41.359 -99.200 -91.000 TYR 49 0.840 23.365 -10.711 40.177 -99.200 -91.000 PHE 64 1.000 29.791 -15.392 51.631 -99.200 -91.000 TYR 85 0.840 19.318 -17.861 51.652 -99.200 -91.000 TYR 90 0.840 25.006 -21.070 35.679 -99.200 -91.000 TYR 110 0.840 10.085 -20.178 44.423 -99.200 -91.000 TYR 119 0.840 15.904 -19.506 47.443 -99.200 -91.000 PHE 121 1.000 16.828 -19.578 37.185 -99.200 -91.000 PHE 122 1.000 24.197 -14.811 39.812 -99.200 -91.000 PHE 130 1.000 23.323 -26.275 52.596 -99.200 -91.000 TYR 134 0.840 21.422 -39.621 51.984 -99.200 -91.000 PHE 146 1.000 16.549 -44.316 49.561 -99.200 -91.000 HIS 158 0.900 7.069 -38.446 34.029 -99.200 -91.000 TYR 167 0.840 3.714 -28.590 25.212 -99.200 -91.000 PHE 183 1.000 10.138 -28.533 23.972 -99.200 -91.000 TRP 185 1.040 11.260 -38.025 19.193 -99.200 -91.000 TRP6 185 1.020 12.457 -40.029 19.607 -99.200 -91.000 TRP 189 1.040 16.587 -36.376 14.308 -99.200 -91.000 TRP6 189 1.020 18.010 -37.751 13.016 -99.200 -91.000 TYR 191 0.840 22.295 -33.358 22.499 -99.200 -91.000 PHE 192 1.000 23.465 -37.733 12.612 -99.200 -91.000 HIS 193 0.900 21.451 -33.301 11.191 -99.200 -91.000 PHE 205 1.000 48.342 -39.187 13.862 -99.200 -91.000 PHE 217 1.000 28.753 -38.971 13.215 -99.200 -91.000 HIS 242 0.900 15.919 -34.170 36.505 -99.200 -91.000 PHE 262 1.000 12.670 -36.682 41.047 -99.200 -91.000 PHE 265 1.000 13.655 -30.543 37.925 -99.200 -91.000 TYR 267 0.840 21.282 -31.710 30.711 -99.200 -91.000 TYR 275 0.840 15.094 -39.683 27.190 -99.200 -91.000 HIS 280 0.900 15.727 -43.337 38.300 -99.200 -91.000 PHE 281 1.000 13.222 -48.251 35.372 -99.200 -91.000 TYR 284 0.840 17.625 -48.547 38.869 -99.200 -91.000 PHE 287 1.000 28.144 -39.712 35.558 -99.200 -91.000 TRP 291 1.040 26.018 -50.921 29.738 -99.200 -91.000 TRP6 291 1.020 25.162 -48.811 30.337 -99.200 -91.000 TYR 301 0.840 4.365 -55.876 38.110 -99.200 -91.000 HIS 302 0.900 8.435 -52.621 44.532 -99.200 -91.000 PHE 303 1.000 10.604 -45.750 38.983 -99.200 -91.000 HIS 306 0.900 5.566 -48.647 45.237 -99.200 -91.000 TYR 307 0.840 5.164 -42.722 36.223 -99.200 -91.000 PHE 326 1.000 10.347 -43.987 24.577 -99.200 -91.000 TYR 327 0.840 15.759 -49.885 29.674 -99.200 -91.000 HIS 331 0.900 22.205 -47.182 26.717 -99.200 -91.000 TRP 334 1.040 21.729 -38.919 28.863 -99.200 -91.000 TRP6 334 1.020 22.208 -36.721 29.576 -99.200 -91.000 TRP 337 1.040 25.124 -33.419 27.005 -99.200 -91.000 TRP6 337 1.020 26.488 -34.129 28.811 -99.200 -91.000 HIS 344 0.900 36.300 -25.261 22.857 -99.200 -91.000 PHE 346 1.00