============================================================================= 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. TRP 8 1.040 24.291 1.654 59.211 -99.200 -91.000 TRP6 8 1.020 24.576 3.808 58.310 -99.200 -91.000 PHE 12 1.000 25.405 -2.277 51.835 -99.200 -91.000 PHE 21 1.000 21.581 4.428 53.357 -99.200 -91.000 TYR 43 0.840 30.358 2.958 41.664 -99.200 -91.000 PHE 49 1.000 22.351 14.001 33.705 -99.200 -91.000 HIS 66 0.900 0.687 22.779 35.715 -99.200 -91.000 PHE 69 1.000 7.982 16.177 29.032 -99.200 -91.000 TRP 71 1.040 4.148 5.927 22.816 -99.200 -91.000 TRP6 71 1.020 2.431 4.300 22.639 -99.200 -91.000 TRP 81 1.040 9.670 4.091 30.278 -99.200 -91.000 TRP6 81 1.020 11.760 3.382 29.386 -99.200 -91.000 PHE 99 1.000 13.637 13.409 32.183 -99.200 -91.000 TYR 114 0.840 22.033 25.428 33.064 -99.200 -91.000 PHE 118 1.000 22.563 22.035 38.133 -99.200 -91.000 TYR 120 0.840 25.069 14.949 38.394 -99.200 -91.000 PHE 132 1.000 25.109 13.626 29.355 -99.200 -91.000 TRP 133 1.040 21.261 9.926 31.370 -99.200 -91.000 TRP6 133 1.020 20.946 11.181 29.368 -99.200 -91.000 PHE 148 1.000 21.873 17.741 41.706 -99.200 -91.000 TYR 153 0.840 15.520 20.262 52.767 -99.200 -91.000 TYR 179 0.840 8.796 8.899 56.795 -99.200 -91.000 HIS 182 0.900 10.784 15.887 48.264 -99.200 -91.000 PHE 187 1.000 19.126 -2.357 36.078 -99.200 -91.000 TRP 200 1.040 23.407 5.403 40.986 -99.200 -91.000 TRP6 200 1.020 24.871 6.601 42.442 -99.200 -91.000 TRP 201 1.040 15.361 5.011 46.554 -99.200 -91.000 TRP6 201 1.020 14.731 4.604 48.796 -99.200 -91.000 TRP 204 1.040 14.696 15.887 50.661 -99.200 -91.000 TRP6 204 1.020 15.054 16.335 48.354 -99.200 -91.000 TYR 212 0.840 17.108 11.931 59.704 -99.200 -91.000 PHE 213 1.000 19.769 16.698 52.959 -99.200 -91.000 PHE 214 1.000 17.336 8.158 50.532 -99.200 -91.000 PHE 216 1.000 22.150 0.492 48.100 -99.200 -91.000