============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 6.089 -12.035 12.575 -99.200 -91.000 TRP6 7 1.020 6.684 -14.134 11.671 -99.200 -91.000 TRP 26 1.040 6.768 9.182 3.268 -99.200 -91.000 TRP6 26 1.020 7.533 8.380 1.173 -99.200 -91.000 PHE 28 1.000 13.382 5.849 8.215 -99.200 -91.000 TRP 38 1.040 15.002 -10.018 0.370 -99.200 -91.000 TRP6 38 1.020 14.482 -10.583 -1.863 -99.200 -91.000 PHE 39 1.000 14.558 -14.074 8.006 -99.200 -91.000 HIS 43 0.900 14.692 -14.324 -1.399 -99.200 -91.000 PHE 72 1.000 3.938 -1.339 0.731 -99.200 -91.000 TRP 74 1.040 8.317 5.414 -7.694 -99.200 -91.000 TRP6 74 1.020 10.345 4.520 -6.869 -99.200 -91.000 TYR 83 0.840 18.036 0.797 -6.500 -99.200 -91.000 TYR 88 0.840 19.572 6.442 -3.265 -99.200 -91.000 TYR 90 0.840 17.042 8.948 6.461 -99.200 -91.000 HIS 105 0.900 21.768 4.344 -5.857 -99.200 -91.000 HIS 114 0.900 -0.444 -2.198 -2.680 -99.200 -91.000 TRP 127 1.040 -2.311 -11.128 5.333 -99.200 -91.000 TRP6 127 1.020 -0.109 -10.212 5.185 -99.200 -91.000 TRP 143 1.040 1.824 6.616 19.505 -99.200 -91.000 TRP6 143 1.020 2.877 5.136 17.970 -99.200 -91.000 TYR 146 0.840 5.208 3.509 25.029 -99.200 -91.000 HIS 161 0.900 4.944 8.106 13.223 -99.200 -91.000 TYR 168 0.840 -1.321 -11.749 17.421 -99.200 -91.000 TYR 175 0.840 1.591 -7.110 24.638 -99.200 -91.000 TRP 176 1.040 -2.696 -4.147 17.532 -99.200 -91.000 TRP6 176 1.020 -2.597 -5.897 15.967 -99.200 -91.000 TRP 182 1.040 9.497 9.079 16.219 -99.200 -91.000 TRP6 182 1.020 7.682 9.637 17.666 -99.200 -91.000 TRP 186 1.040 9.520 7.469 21.814 -99.200 -91.000 TRP6 186 1.020 8.098 5.770 20.980 -99.200 -91.000 TYR 191 0.840 10.800 -2.906 18.267 -99.200 -91.000