============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 2 1.000 -5.501 26.573 53.872 -99.200 -91.000 HIS 9 0.900 -21.872 24.266 47.115 -99.200 -91.000 PHE 11 1.000 -11.219 27.758 47.755 -99.200 -91.000 PHE 31 1.000 -16.679 14.374 60.861 -99.200 -91.000 TYR 58 0.840 -26.641 16.271 58.650 -99.200 -91.000 PHE 66 1.000 -18.527 14.233 55.342 -99.200 -91.000 PHE 76 1.000 -4.199 22.524 49.699 -99.200 -91.000 HIS 78 0.900 1.894 18.445 43.652 -99.200 -91.000 TYR 100 0.840 -10.008 2.624 44.066 -99.200 -91.000 PHE 109 1.000 1.387 -1.260 49.002 -99.200 -91.000 HIS 113 0.900 2.870 -5.910 49.662 -99.200 -91.000 PHE 117 1.000 6.759 -2.482 47.661 -99.200 -91.000 TYR 135 0.840 0.299 23.472 44.909 -99.200 -91.000 TYR 141 0.840 -3.243 22.504 54.994 -99.200 -91.000 HIS 143 0.900 -1.392 16.899 56.708 -99.200 -91.000 PHE 164 1.000 -4.973 17.794 52.448 -99.200 -91.000 TRP 168 1.040 3.914 10.249 62.554 -99.200 -91.000 TRP6 168 1.020 2.732 8.829 64.025 -99.200 -91.000 TYR 176 0.840 7.136 27.811 71.264 -99.200 -91.000 PHE 179 1.000 1.379 22.173 65.597 -99.200 -91.000 TRP 186 1.040 10.144 16.057 64.192 -99.200 -91.000 TRP6 186 1.020 12.128 16.415 65.412 -99.200 -91.000 TYR 188 0.840 9.645 13.778 53.446 -99.200 -91.000 TRP 193 1.040 12.913 5.264 61.717 -99.200 -91.000 TRP6 193 1.020 11.196 3.979 62.691 -99.200 -91.000 TYR 198 0.840 9.938 -2.454 53.245 -99.200 -91.000 TYR 203 0.840 10.074 8.780 68.306 -99.200 -91.000 TRP 204 1.040 10.177 0.734 67.791 -99.200 -91.000 TRP6 204 1.020 12.008 2.048 68.522 -99.200 -91.000 TYR 219 0.840 19.238 9.369 74.002 -99.200 -91.000 TYR 232 0.840 19.899 7.440 60.965 -99.200 -91.000 TRP 239 1.040 13.531 13.204 62.447 -99.200 -91.000 TRP6 239 1.020 14.406 11.018 62.406 -99.200 -91.000 PHE 249 1.000 8.017 19.521 53.388 -99.200 -91.000