============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 4 0.840 32.894 -17.436 32.548 -99.200 -91.000 TYR 18 0.840 35.554 -24.186 27.604 -99.200 -91.000 PHE 21 1.000 43.396 -13.737 27.908 -99.200 -91.000 PHE 26 1.000 39.617 -16.691 28.618 -99.200 -91.000 TYR 35 0.840 44.727 -30.437 28.126 -99.200 -91.000 PHE 68 1.000 58.411 -4.616 23.935 -99.200 -91.000 TRP 73 1.040 52.995 -4.082 29.160 -99.200 -91.000 TRP6 73 1.020 51.759 -3.974 31.184 -99.200 -91.000 TYR 86 0.840 49.079 -2.416 45.239 -99.200 -91.000 HIS 95 0.900 37.671 -12.300 40.708 -99.200 -91.000 TYR 111 0.840 39.485 -22.808 50.345 -99.200 -91.000 HIS 118 0.900 49.208 -24.151 46.391 -99.200 -91.000 PHE 126 1.000 50.921 -10.939 38.919 -99.200 -91.000 TYR 128 0.840 59.387 -7.444 45.825 -99.200 -91.000 PHE 129 1.000 59.002 -9.253 41.201 -99.200 -91.000 TRP 132 1.040 61.432 -4.277 42.838 -99.200 -91.000 TRP6 132 1.020 63.244 -2.810 43.310 -99.200 -91.000 TRP 169 1.040 53.741 -31.437 37.347 -99.200 -91.000 TRP6 169 1.020 53.994 -32.450 39.470 -99.200 -91.000 TYR 171 0.840 54.111 -24.762 45.648 -99.200 -91.000 TRP 178 1.040 56.781 -17.304 43.101 -99.200 -91.000 TRP6 178 1.020 58.332 -18.917 43.857 -99.200 -91.000 PHE 205 1.000 47.490 -13.970 35.733 -99.200 -91.000 HIS 236 0.900 57.591 -16.957 17.016 -99.200 -91.000 PHE 244 1.000 62.018 -25.616 32.045 -99.200 -91.000 HIS 253 0.900 64.740 -30.356 23.480 -99.200 -91.000 PHE 279 1.000 75.541 -29.687 62.624 -99.200 -91.000 PHE 296 1.000 56.346 -35.979 55.778 -99.200 -91.000 PHE 297 1.000 54.209 -25.579 52.327 -99.200 -91.000 PHE 310 1.000 73.208 -35.739 54.534 -99.200 -91.000 HIS 316 0.900 68.646 -41.995 62.907 -99.200 -91.000 PHE 319 1.000 64.291 -35.612 62.816 -99.200 -91.000 HIS 342 0.900 49.946 -36.103 52.383 -99.200 -91.000 HIS 347 0.900 50.935 -35.363 37.215 -99.200 -91.000 HIS 350 0.900 55.067 -36.747 41.497 -99.200 -91.000 TYR 357 0.840 62.405 -41.657 45.341 -99.200 -91.000 PHE 380 1.000 44.744 -40.061 40.256 -99.200 -91.000 PHE 381 1.000 43.668 -38.308 48.564 -99.200 -91.000 PHE 382 1.000 53.758 -42.493 48.156 -99.200 -91.000 PHE 387 1.000 62.244 -45.467 51.846 -99.200 -91.000 HIS 393 0.900 75.269 -47.689 48.521 -99.200 -91.000 TYR 395 0.840 66.384 -43.948 41.817 -99.200 -91.000 PHE 402 1.000 58.151 -31.523 42.389 -99.200 -91.000 PHE 411 1.000 75.500 -34.849 61.357 -99.200 -91.000 PHE 428 1.000 69.369 -32.607 40.919 -99.200 -91.000 PHE 435 1.000 65.811 -27.659 60.840 -99.200 -91.000 TYR 444 0.840 82.935 -24.462 58.521 -99.200 -91.000 PHE 455 1.000 64.734 -22.236 53.192 -99.200 -91.000 TYR 459 0.840 64.054 -26.899 53.914 -99.200 -91.000 PHE 468 1.000 63.352 -21.049 44.432 -99.200 -91.000 PHE 471 1.000 74.476 -21.033 44.305 -99.200 -91.000 PHE 476 1.000 71.503 -20.709 33.291 -99.200 -91.000 TYR 488 0.840 61.294 -12.213 33.204 -99.200 -91.000 PHE 496 1.000 74.166 11.807 25.668 -99.200 -91.000 TYR 498 0.840 79.212 17.084 27.657 -99.200 -91.000