============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 5 0.840 23.178 12.597 25.279 -99.200 -91.000 HIS 43 0.900 1.226 31.237 11.546 -99.200 -91.000 HIS 69 0.900 11.322 47.901 20.217 -99.200 -91.000 PHE 70 1.000 11.197 49.463 29.401 -99.200 -91.000 TRP 79 1.040 2.386 49.871 33.200 -99.200 -91.000 TRP6 79 1.020 1.219 51.409 31.833 -99.200 -91.000 PHE 89 1.000 11.767 42.750 21.752 -99.200 -91.000 TRP 103 1.040 23.809 34.687 10.347 -99.200 -91.000 TRP6 103 1.020 22.442 33.716 12.012 -99.200 -91.000 TRP 107 1.040 17.270 42.645 7.369 -99.200 -91.000 TRP6 107 1.020 15.253 42.161 8.506 -99.200 -91.000 HIS 111 0.900 14.939 55.668 -3.067 -99.200 -91.000 PHE 131 1.000 22.450 61.657 7.331 -99.200 -91.000 HIS 133 0.900 21.674 54.992 -1.552 -99.200 -91.000 HIS 137 0.900 13.108 52.911 4.260 -99.200 -91.000 PHE 141 1.000 3.152 45.690 11.343 -99.200 -91.000 TRP 147 1.040 6.567 55.697 10.641 -99.200 -91.000 TRP6 147 1.020 6.230 56.067 8.330 -99.200 -91.000 TYR 151 0.840 9.893 47.254 4.600 -99.200 -91.000 HIS 158 0.900 10.284 32.658 1.979 -99.200 -91.000 PHE 162 1.000 12.780 29.343 2.851 -99.200 -91.000 HIS 186 0.900 7.551 14.827 34.950 -99.200 -91.000 TYR 192 0.840 16.110 13.676 34.333 -99.200 -91.000 TYR 207 0.840 14.160 12.034 19.332 -99.200 -91.000 TYR 219 0.840 -2.761 29.706 23.600 -99.200 -91.000 TYR 223 0.840 -9.919 31.548 20.439 -99.200 -91.000 PHE 256 1.000 -9.808 37.200 19.408 -99.200 -91.000 HIS 257 0.900 -5.070 41.522 11.329 -99.200 -91.000 PHE 262 1.000 -16.854 35.276 7.718 -99.200 -91.000 HIS 285 0.900 -22.092 54.965 7.763 -99.200 -91.000 PHE 287 1.000 -17.645 49.731 10.630 -99.200 -91.000 TYR 291 0.840 -19.197 52.404 16.215 -99.200 -91.000 HIS 311 0.900 -21.542 49.505 12.232 -99.200 -91.000 TYR 322 0.840 -18.966 29.798 4.308 -99.200 -91.000 HIS 325 0.900 -18.988 39.262 5.336 -99.200 -91.000 TRP 327 1.040 -19.379 44.284 2.723 -99.200 -91.000 TRP6 327 1.020 -18.968 42.315 1.472 -99.200 -91.000 HIS 337 0.900 -1.387 52.861 -2.528 -99.200 -91.000 TYR 351 0.840 -2.825 33.592 -6.920 -99.200 -91.000 PHE 352 1.000 -5.399 31.751 -0.987 -99.200 -91.000 TRP 361 1.040 -16.352 47.664 -1.411 -99.200 -91.000 TRP6 361 1.020 -18.403 48.456 -0.541 -99.200 -91.000 HIS 369 0.900 -2.055 37.833 13.819 -99.200 -91.000 TYR 370 0.840 2.068 36.677 19.809 -99.200 -91.000 TYR 379 0.840 17.254 36.350 34.541 -99.200 -91.000 PHE 389 1.000 16.701 26.570 30.040 -99.200 -91.000 TRP 397 1.040 12.024 35.790 28.098 -99.200 -91.000 TRP6 397 1.020 12.888 37.059 26.299 -99.200 -91.000 HIS 400 0.900 5.152 39.560 23.151 -99.200 -91.000 PHE 402 1.000 -3.346 39.954 30.951 -99.200 -91.000 TYR 423 0.840 20.496 33.893 30.359 -99.200 -91.000 PHE 424 1.000 18.313 24.332 25.542 -99.200 -91.000 HIS 427 0.900 19.994 23.019 32.155 -99.200 -91.000 PHE 443 1.000 7.786 10.026 32.027 -99.200 -91.000 TYR 450