============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 54.474 69.408 22.415 -99.200 -91.000 PHE 12 1.000 66.384 80.166 12.846 -99.200 -91.000 TYR 110 0.840 41.493 47.342 10.571 -99.200 -91.000 PHE 113 1.000 46.837 48.560 19.992 -99.200 -91.000 PHE 116 1.000 61.403 48.024 23.998 -99.200 -91.000 TRP 131 1.040 37.893 57.339 19.223 -99.200 -91.000 TRP6 131 1.020 38.224 56.527 17.029 -99.200 -91.000 HIS 135 0.900 34.055 57.059 16.826 -99.200 -91.000 PHE 137 1.000 33.777 50.504 13.349 -99.200 -91.000 PHE 147 1.000 55.913 34.229 30.564 -99.200 -91.000 HIS 158 0.900 41.664 50.292 33.049 -99.200 -91.000 HIS 169 0.900 44.644 30.736 25.649 -99.200 -91.000 TYR 171 0.840 52.856 33.840 35.164 -99.200 -91.000 TYR 180 0.840 44.500 30.645 14.627 -99.200 -91.000 HIS 185 0.900 34.935 35.381 21.601 -99.200 -91.000 PHE 224 1.000 56.796 52.910 19.445 -99.200 -91.000 PHE 241 1.000 58.746 47.151 19.941 -99.200 -91.000 TYR 269 0.840 61.419 63.810 8.035 -99.200 -91.000 PHE 277 1.000 43.063 56.970 17.911 -99.200 -91.000 TYR 284 0.840 38.219 53.922 29.849 -99.200 -91.000 PHE 290 1.000 49.119 64.552 15.128 -99.200 -91.000 TRP 294 1.040 45.428 70.446 20.637 -99.200 -91.000 TRP6 294 1.020 47.017 68.869 21.392 -99.200 -91.000 PHE 295 1.000 52.446 67.430 18.020 -99.200 -91.000 PHE 300 1.000 55.827 77.111 15.602 -99.200 -91.000