============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 11 1.040 17.861 -26.524 24.704 -99.200 -91.000 TRP6 11 1.020 15.663 -26.906 23.907 -99.200 -91.000 TYR 16 0.840 34.054 -21.362 34.816 -99.200 -91.000 TYR 43 0.840 27.923 -21.177 46.076 -99.200 -91.000 TRP 67 1.040 14.848 -43.060 61.085 -99.200 -91.000 TRP6 67 1.020 15.041 -45.241 61.966 -99.200 -91.000 PHE 81 1.000 19.628 -48.767 55.088 -99.200 -91.000 TYR 112 0.840 28.799 -30.716 62.027 -99.200 -91.000 PHE 120 1.000 22.348 -26.449 53.860 -99.200 -91.000 TYR 127 0.840 25.817 -18.565 49.944 -99.200 -91.000 PHE 138 1.000 17.692 -23.795 45.389 -99.200 -91.000 HIS 142 0.900 15.012 -33.298 50.886 -99.200 -91.000 PHE 150 1.000 9.664 -21.124 41.854 -99.200 -91.000 HIS 165 0.900 34.989 -17.564 40.490 -99.200 -91.000 TYR 171 0.840 32.977 -28.894 38.949 -99.200 -91.000 HIS 174 0.900 29.716 -31.660 42.726 -99.200 -91.000 PHE 179 1.000 30.624 -42.321 49.830 -99.200 -91.000 PHE 181 1.000 28.472 -44.601 54.714 -99.200 -91.000 TRP 194 1.040 32.224 -44.431 34.269 -99.200 -91.000 TRP6 194 1.020 30.651 -43.697 35.893 -99.200 -91.000 TYR 213 0.840 14.212 -39.956 34.204 -99.200 -91.000 PHE 240 1.000 23.027 -39.536 32.343 -99.200 -91.000 TRP 249 1.040 25.745 -27.135 17.672 -99.200 -91.000 TRP6 249 1.020 25.424 -25.070 18.774 -99.200 -91.000 PHE 251 1.000 33.696 -28.499 24.810 -99.200 -91.000 PHE 253 1.000 29.045 -26.623 14.292 -99.200 -91.000 PHE 254 1.000 29.115 -21.306 18.784 -99.200 -91.000 PHE 266 1.000 40.397 -1.633 24.484 -99.200 -91.000 TRP 272 1.040 40.272 16.637 33.293 -99.200 -91.000 TRP6 272 1.020 41.173 18.775 32.856 -99.200 -91.000 PHE 273 1.000 40.165 19.394 38.587 -99.200 -91.000 TYR 303 0.840 38.514 3.125 23.662 -99.200 -91.000 PHE 325 1.000 35.636 -8.139 23.428 -99.200 -91.000