============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 10 0.840 0.454 -70.906 -54.188 -99.200 -91.000 HIS 16 0.900 4.270 -83.303 -55.127 -99.200 -91.000 TYR 21 0.840 12.380 -74.482 -52.843 -99.200 -91.000 TRP 22 1.040 11.948 -79.636 -48.598 -99.200 -91.000 TRP6 22 1.020 12.701 -81.054 -46.884 -99.200 -91.000 TYR 24 0.840 15.952 -74.319 -42.185 -99.200 -91.000 HIS 27 0.900 22.338 -73.000 -48.877 -99.200 -91.000 TRP 31 1.040 31.219 -68.698 -46.678 -99.200 -91.000 TRP6 31 1.020 30.015 -67.424 -45.106 -99.200 -91.000 TYR 37 0.840 30.137 -56.475 -51.093 -99.200 -91.000 TYR 48 0.840 16.309 -62.265 -33.474 -99.200 -91.000 PHE 52 1.000 26.760 -51.560 -40.049 -99.200 -91.000 PHE 111 1.000 19.650 -58.448 -47.987 -99.200 -91.000 HIS 113 0.900 20.284 -47.428 -52.683 -99.200 -91.000 PHE 119 1.000 3.363 -48.947 -47.402 -99.200 -91.000 TYR 123 0.840 1.694 -47.083 -42.445 -99.200 -91.000 TYR 129 0.840 -3.675 -44.892 -59.077 -99.200 -91.000 PHE 133 1.000 1.969 -48.470 -58.126 -99.200 -91.000 TYR 134 0.840 3.612 -47.217 -53.444 -99.200 -91.000 TYR 136 0.840 -2.096 -55.889 -58.574 -99.200 -91.000 TYR 144 0.840 8.505 -65.569 -56.818 -99.200 -91.000 HIS 146 0.900 1.724 -66.046 -48.970 -99.200 -91.000 HIS 152 0.900 8.287 -61.009 -44.352 -99.200 -91.000 HIS 158 0.900 9.542 -49.420 -38.774 -99.200 -91.000 HIS 164 0.900 5.233 -41.928 -53.108 -99.200 -91.000 HIS 166 0.900 13.486 -43.486 -58.899 -99.200 -91.000 TRP 174 1.040 12.457 -61.700 -47.483 -99.200 -91.000 TRP6 174 1.020 10.423 -62.638 -48.204 -99.200 -91.000 PHE 179 1.000 12.274 -73.354 -47.030 -99.200 -91.000 TYR 180 0.840 1.683 -74.952 -45.195 -99.200 -91.000 HIS 181 0.900 8.429 -78.139 -44.892 -99.200 -91.000 TYR 186 0.840 5.330 -73.931 -39.676 -99.200 -91.000 TYR 194 0.840 1.247 -52.113 -31.968 -99.200 -91.000 PHE 195 1.000 1.670 -54.288 -38.208 -99.200 -91.000 TYR 204 0.840 -4.488 -74.140 -35.158 -99.200 -91.000 TYR 207 0.840 2.174 -69.964 -37.798 -99.200 -91.000 TYR 209 0.840 1.846 -70.916 -48.113 -99.200 -91.000 TRP 214 1.040 -4.395 -60.343 -38.434 -99.200 -91.000 TRP6 214 1.020 -6.697 -60.357 -37.953 -99.200 -91.000 PHE 225 1.000 -11.183 -48.045 -41.594 -99.200 -91.000 PHE 230 1.000 -8.707 -51.049 -37.492 -99.200 -91.000 PHE 231 1.000 -7.461 -55.270 -35.535 -99.200 -91.000 HIS 232 0.900 -1.664 -48.317 -29.717 -99.200 -91.000 HIS 234 0.900 -2.390 -53.785 -21.832 -99.200 -91.000 TYR 237 0.840 -1.369 -62.731 -22.438 -99.200 -91.000 TYR 253 0.840 -15.662 -67.059 -26.572 -99.200 -91.000 TYR 255 0.840 -9.433 -68.888 -35.457 -99.200 -91.000 TYR 259 0.840 -9.358 -73.845 -37.322 -99.200 -91.000 PHE 267 1.000 -6.905 -63.882 -24.251 -99.200 -91.000 HIS 274 0.900 -15.826 -56.336 -26.329 -99.200 -91.000 TRP 279 1.040 -15.215 -53.823 -41.890 -99.200 -91.000 TRP6 279 1.020 -13.293 -54.042 -40.564 -99.200 -91.000 PHE 282 1.000 -13.519 -49.425 -36.523 -99.200 -91.000 HIS 284 0.900 -11.602 -40.351 -38.938 -99.200 -91.000 HIS 289 0.900 -8.490 -38.564 -47.854 -99.200 -91.000 PHE 298 1.000 -7.938 -56.343 -50.387 -99.200 -91.000 TYR 305 0.840 -12.059 -63.059 -34.374 -99.200 -91.000 HIS 307 0.900 -6.136 -70.896 -39.482 -99.200 -91.000 HIS 319 0.900 -12.197 -56.721 -53.155 -99.200 -91.000 TYR 321 0.840 -8.430 -51.261 -52.285 -99.200 -91.000 PHE 322 1.000 -5.624 -54.626 -54.839 -99.200 -91.000 TYR 323 0.840 -12.499 -55.135 -60.734 -99.200 -91.000