============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 1 1.000 30.826 -18.377 15.042 -99.200 -91.000 TYR 7 0.840 32.161 -20.948 23.366 -99.200 -91.000 HIS 10 0.900 27.703 -13.763 28.774 -99.200 -91.000 PHE 11 1.000 30.105 -24.134 27.386 -99.200 -91.000 TYR 16 0.840 27.893 -28.440 26.753 -99.200 -91.000 TYR 20 0.840 23.026 -29.101 24.554 -99.200 -91.000 TYR 21 0.840 26.814 -33.874 26.557 -99.200 -91.000 HIS 31 0.900 25.366 -40.423 15.584 -99.200 -91.000 PHE 37 1.000 31.490 -50.832 20.674 -99.200 -91.000 PHE 40 1.000 38.317 -43.174 19.641 -99.200 -91.000 TYR 60 0.840 30.135 -36.943 24.637 -99.200 -91.000 PHE 69 1.000 44.025 -43.726 20.491 -99.200 -91.000 TYR 77 0.840 40.095 -19.212 24.690 -99.200 -91.000 TRP 88 1.040 33.311 -38.094 35.916 -99.200 -91.000 TRP6 88 1.020 34.884 -39.575 34.981 -99.200 -91.000 PHE 96 1.000 26.284 -34.261 34.126 -99.200 -91.000 TRP 98 1.040 30.222 -37.148 32.854 -99.200 -91.000 TRP6 98 1.020 29.301 -36.668 30.732 -99.200 -91.000 TYR 104 0.840 23.958 -46.324 24.849 -99.200 -91.000 TYR 167 0.840 35.137 -27.097 10.392 -99.200 -91.000 PHE 183 1.000 44.100 -44.041 12.949 -99.200 -91.000 TYR 194 0.840 19.640 -21.693 17.205 -99.200 -91.000 TYR 195 0.840 26.666 -24.736 21.470 -99.200 -91.000 PHE 202 1.000 27.449 -20.175 24.761 -99.200 -91.000 TYR 221 0.840 44.007 -33.505 8.993 -99.200 -91.000 TRP 225 1.040 35.490 -44.597 9.832 -99.200 -91.000 TRP6 225 1.020 37.526 -45.791 10.006 -99.200 -91.000 PHE 226 1.000 32.064 -36.593 6.120 -99.200 -91.000 TYR 233 0.840 22.204 -31.365 19.449 -99.200 -91.000 PHE 244 1.000 31.444 -33.299 10.688 -99.200 -91.000