============================================================================= 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. PHE 12 1.000 -31.078 9.771 45.360 -99.200 -91.000 PHE 17 1.000 -28.426 9.550 39.328 -99.200 -91.000 TYR 20 0.840 -28.983 17.383 32.745 -99.200 -91.000 HIS 21 0.900 -19.077 14.446 30.733 -99.200 -91.000 TYR 27 0.840 -13.530 14.617 22.220 -99.200 -91.000 TYR 46 0.840 -2.235 15.487 40.946 -99.200 -91.000 TRP 50 1.040 -10.843 11.514 45.056 -99.200 -91.000 TRP6 50 1.020 -13.026 10.987 45.831 -99.200 -91.000 PHE 53 1.000 -19.178 10.361 32.102 -99.200 -91.000 TYR 54 0.840 -15.106 13.300 38.549 -99.200 -91.000 TYR 60 0.840 -29.509 25.964 33.019 -99.200 -91.000 TYR 65 0.840 -17.011 20.597 34.689 -99.200 -91.000 TYR 85 0.840 -25.150 4.671 35.919 -99.200 -91.000 PHE 123 1.000 -18.653 0.911 47.407 -99.200 -91.000 PHE 127 1.000 -20.693 0.412 51.674 -99.200 -91.000 PHE 140 1.000 -20.600 22.090 40.084 -99.200 -91.000 TYR 149 0.840 -25.398 13.119 40.838 -99.200 -91.000 TRP 153 1.040 -13.093 6.286 34.155 -99.200 -91.000 TRP6 153 1.020 -14.228 7.478 32.453 -99.200 -91.000 PHE 167 1.000 -23.846 24.950 24.965 -99.200 -91.000 TYR 179 0.840 -20.598 32.948 28.943 -99.200 -91.000 TYR 181 0.840 -28.194 25.029 28.129 -99.200 -91.000 TRP 193 1.040 -24.183 39.412 24.700 -99.200 -91.000 TRP6 193 1.020 -23.011 41.342 25.330 -99.200 -91.000 HIS 210 0.900 -20.310 64.416 15.834 -99.200 -91.000 TYR 233 0.840 -6.455 62.623 20.909 -99.200 -91.000 PHE 237 1.000 -12.075 60.032 19.870 -99.200 -91.000 HIS 238 0.900 -15.996 59.724 27.891 -99.200 -91.000 HIS 244 0.900 -22.568 61.061 16.850 -99.200 -91.000 PHE 260 1.000 -21.477 54.025 35.398 -99.200 -91.000 TYR 265 0.840 -16.306 54.773 28.857 -99.200 -91.000 TRP 268 1.040 -10.870 49.388 28.579 -99.200 -91.000 TRP6 268 1.020 -10.612 47.441 29.884 -99.200 -91.000 HIS 309 0.900 -25.195 50.961 38.007 -99.200 -91.000 HIS 310 0.900 -23.295 51.508 31.186 -99.200 -91.000 PHE 340 1.000 -7.038 44.585 19.654 -99.200 -91.000 TYR 343 0.840 -13.559 40.147 13.749 -99.200 -91.000 PHE 345 1.000 -11.900 47.024 23.089 -99.200 -91.000 PHE 353 1.000 -19.642 44.797 28.248 -99.200 -91.000 HIS 357 0.900 -23.813 41.741 31.093 -99.200 -91.000 TYR 360 0.840 -22.432 41.972 39.252 -99.200 -91.000 TYR 365 0.840 -18.982 31.788 48.691 -99.200 -91.000 HIS 369 0.900 -13.588 38.532 53.044 -99.200 -91.000 PHE 374 1.000 -2.837 41.721 52.637 -99.200 -91.000 HIS 376 0.900 -1.847 45.104 47.909 -99.200 -91.000 TYR 379 0.840 -8.008 42.186 43.503 -99.200 -91.000 TRP 383 1.040 -6.097 31.667 56.100 -99.200 -91.000 TRP6 383 1.020 -5.261 30.115 54.530 -99.200 -91.000 PHE 395 1.000 -2.160 16.164 54.191 -99.200 -91.000 HIS 401 0.900 -5.799 23.310 53.432 -99.200 -91.000 HIS 434 0.900 -13.328 23.814 43.154 -99.200 -91.000 PHE 455 1.000 0.214 31.547 37.628 -99.200 -91.000 TYR 463 0.840 -13.264 40.270 35.035 -99.200 -91.000 HIS 469 0.900 -19.701 38.709 47.213 -99.200 -91.000 HIS 473 0.900 -11.669 22.728 47.983 -99.200 -91.000 PHE 476 1.000 -1.994 22.286 49.795 -99.200 -91.000 HIS 477 0.900 -2.250 12.615 46.009 -99.200 -91.000 HIS 485 0.900 9.808 16.183 59.492 -99.200 -91.000 TYR 499 0.840 -5.517 46.193 39.985 -99.200 -91.000 HIS 505 0.900 9.350 54.035 34.497 -99.200 -91.000 PHE 515 1.000 2.198 35.396 54.960 -99.200 -91.000 PHE 516 1.000 -1.830 26.761 53.553 -99.200 -91.000