============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 15 1.000 -12.440 -5.573 51.798 -99.200 -91.000 TYR 25 0.840 -10.322 -2.028 55.162 -99.200 -91.000 PHE 27 1.000 -17.414 -8.531 60.280 -99.200 -91.000 TYR 47 0.840 -15.792 -10.022 53.918 -99.200 -91.000 PHE 51 1.000 -30.617 -4.134 56.093 -99.200 -91.000 TYR 59 0.840 -27.869 -8.222 65.507 -99.200 -91.000 PHE 71 1.000 -34.830 7.502 48.875 -99.200 -91.000 PHE 72 1.000 -27.633 10.456 43.639 -99.200 -91.000 PHE 86 1.000 -31.640 -4.400 61.312 -99.200 -91.000 TYR 90 0.840 -31.026 -1.335 68.206 -99.200 -91.000 TYR 95 0.840 -24.225 3.325 70.646 -99.200 -91.000 TYR 96 0.840 -25.157 8.831 61.007 -99.200 -91.000 PHE 98 1.000 -20.921 14.004 60.750 -99.200 -91.000 PHE 105 1.000 -30.791 9.815 61.487 -99.200 -91.000 TRP 109 1.040 -42.687 9.736 56.615 -99.200 -91.000 TRP6 109 1.020 -43.738 8.177 55.176 -99.200 -91.000 TRP 117 1.040 -40.415 5.887 44.912 -99.200 -91.000 TRP6 117 1.020 -39.332 5.833 47.014 -99.200 -91.000 TYR 119 0.840 -47.085 1.724 45.661 -99.200 -91.000 TYR 121 0.840 -40.405 1.585 51.533 -99.200 -91.000 HIS 148 0.900 -25.385 14.889 62.763 -99.200 -91.000 PHE 157 1.000 -24.298 15.893 68.369 -99.200 -91.000 TYR 159 0.840 -11.647 12.952 68.672 -99.200 -91.000 PHE 160 1.000 -12.662 5.692 68.561 -99.200 -91.000 TYR 165 0.840 -11.449 2.177 59.196 -99.200 -91.000 HIS 168 0.900 -4.847 1.692 66.093 -99.200 -91.000 PHE 172 1.000 -0.180 -0.347 59.079 -99.200 -91.000 TYR 186 0.840 -6.648 14.074 46.684 -99.200 -91.000 PHE 190 1.000 -15.719 18.130 41.493 -99.200 -91.000 PHE 202 1.000 -1.914 22.827 48.172 -99.200 -91.000 PHE 204 1.000 -6.735 20.241 38.150 -99.200 -91.000 PHE 212 1.000 -8.195 14.006 41.905 -99.200 -91.000 PHE 213 1.000 -5.279 6.778 44.000 -99.200 -91.000 PHE 221 1.000 -11.282 18.654 39.587 -99.200 -91.000 TYR 226 0.840 -12.401 27.836 43.461 -99.200 -91.000 TRP 228 1.040 -8.700 23.310 35.571 -99.200 -91.000 TRP6 228 1.020 -8.485 21.870 33.707 -99.200 -91.000 PHE 234 1.000 -8.494 14.395 36.949 -99.200 -91.000 TYR 261 0.840 -13.433 16.433 56.308 -99.200 -91.000 PHE 265 1.000 -14.481 15.322 60.321 -99.200 -91.000 TRP 271 1.040 -4.634 7.464 60.416 -99.200 -91.000 TRP6 271 1.020 -2.852 8.065 61.854 -99.200 -91.000 PHE 286 1.000 -6.325 17.720 56.926 -99.200 -91.000 HIS 290 0.900 3.525 22.555 61.169 -99.200 -91.000 PHE 298 1.000 7.363 14.780 57.180 -99.200 -91.000 TYR 299 0.840 2.475 19.972 58.572 -99.200 -91.000 HIS 315 0.900 19.559 18.155 44.714 -99.200 -91.000 HIS 328 0.900 7.302 4.551 56.390 -99.200 -91.000 TRP 341 1.040 -8.563 3.874 67.706 -99.200 -91.000 TRP6 341 1.020 -9.467 2.001 66.581 -99.200 -91.000 PHE 345 1.000 -15.973 1.360 68.090 -99.200 -91.000