============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 41.688 -4.099 14.797 -99.200 -91.000 TYR 21 0.840 21.844 1.201 -2.713 -99.200 -91.000 TRP 31 1.040 30.275 10.073 1.297 -99.200 -91.000 TRP6 31 1.020 29.402 10.935 -0.698 -99.200 -91.000 TRP 41 1.040 35.680 -0.197 5.861 -99.200 -91.000 TRP6 41 1.020 34.841 -1.780 4.276 -99.200 -91.000 PHE 43 1.000 40.900 -3.430 9.381 -99.200 -91.000 PHE 70 1.000 29.978 -11.737 -3.954 -99.200 -91.000 TRP 82 1.040 41.187 -7.540 1.605 -99.200 -91.000 TRP6 82 1.020 41.839 -6.536 -0.446 -99.200 -91.000 TYR 117 0.840 56.495 0.326 -2.328 -99.200 -91.000 TRP 123 1.040 44.776 2.737 1.112 -99.200 -91.000 TRP6 123 1.020 42.820 3.845 0.363 -99.200 -91.000 TYR 139 0.840 72.152 18.098 12.796 -99.200 -91.000 TRP 154 1.040 64.552 26.840 5.277 -99.200 -91.000 TRP6 154 1.020 64.079 27.519 3.059 -99.200 -91.000 TRP 167 1.040 55.487 20.143 9.141 -99.200 -91.000 TRP6 167 1.020 55.748 20.737 6.858 -99.200 -91.000 TYR 170 0.840 45.246 15.727 4.799 -99.200 -91.000 TYR 190 0.840 60.406 8.828 -7.195 -99.200 -91.000 TRP 209 1.040 57.073 12.128 2.519 -99.200 -91.000 TRP6 209 1.020 59.403 11.987 2.054 -99.200 -91.000 PHE 210 1.000 57.018 3.040 7.860 -99.200 -91.000 PHE 211 1.000 56.281 10.922 10.225 -99.200 -91.000 PHE 241 1.000 73.372 10.246 1.899 -99.200 -91.000 TRP 251 1.040 63.740 13.469 10.317 -99.200 -91.000 TRP6 251 1.020 63.941 15.763 9.845 -99.200 -91.000