============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 10 1.000 10.445 -19.917 18.666 -99.200 -91.000 PHE 25 1.000 20.150 -9.933 26.492 -99.200 -91.000 PHE 31 1.000 15.475 -9.843 27.492 -99.200 -91.000 TYR 32 0.840 17.246 -3.353 31.325 -99.200 -91.000 TYR 69 0.840 -1.322 14.662 28.116 -99.200 -91.000 PHE 86 1.000 19.800 7.383 23.706 -99.200 -91.000 PHE 103 1.000 10.346 9.577 31.972 -99.200 -91.000 PHE 124 1.000 22.172 4.604 19.925 -99.200 -91.000 TYR 126 0.840 28.540 -1.432 14.321 -99.200 -91.000 TRP 131 1.040 20.327 5.843 11.389 -99.200 -91.000 TRP6 131 1.020 20.170 7.441 9.652 -99.200 -91.000 TYR 144 0.840 -1.926 6.290 19.930 -99.200 -91.000 PHE 152 1.000 -0.990 9.507 10.761 -99.200 -91.000 TYR 156 0.840 11.040 12.256 13.668 -99.200 -91.000 PHE 158 1.000 19.012 12.734 19.888 -99.200 -91.000 PHE 171 1.000 8.622 4.874 5.168 -99.200 -91.000 PHE 173 1.000 2.316 1.136 13.307 -99.200 -91.000 HIS 181 0.900 26.729 -0.551 11.150 -99.200 -91.000 TYR 188 0.840 26.669 -1.163 3.131 -99.200 -91.000 TRP 201 1.040 9.207 1.004 2.054 -99.200 -91.000 TRP6 201 1.020 8.918 1.921 -0.080 -99.200 -91.000 TYR 203 0.840 15.003 5.491 3.154 -99.200 -91.000 TRP 217 1.040 17.040 -4.586 0.868 -99.200 -91.000 TRP6 217 1.020 16.785 -6.243 2.552 -99.200 -91.000 HIS 219 0.900 8.441 -7.164 -2.610 -99.200 -91.000 HIS 224 0.900 0.388 -11.958 7.758 -99.200 -91.000 PHE 233 1.000 21.098 -6.039 8.906 -99.200 -91.000 TRP 244 1.040 1.817 -8.472 15.651 -99.200 -91.000 TRP6 244 1.020 -0.469 -8.306 15.154 -99.200 -91.000 HIS 248 0.900 5.868 -19.225 9.254 -99.200 -91.000 PHE 252 1.000 13.170 -10.461 3.943 -99.200 -91.000 PHE 267 1.000 5.713 -16.977 19.477 -99.200 -91.000 HIS 274 0.900 18.617 -6.589 21.234 -99.200 -91.000 PHE 275 1.000 20.854 -12.698 16.688 -99.200 -91.000 PHE 283 1.000 16.732 -13.994 25.606 -99.200 -91.000 HIS 287 0.900 2.748 -7.564 20.367 -99.200 -91.000 TRP 293 1.040 7.315 -17.445 23.591 -99.200 -91.000 TRP6 293 1.020 6.623 -19.616 24.219 -99.200 -91.000 PHE 295 1.000 14.703 -18.241 17.177 -99.200 -91.000 TRP 297 1.040 20.225 -16.969 13.112 -99.200 -91.000 TRP6 297 1.020 18.834 -17.986 11.481 -99.200 -91.000 TYR 305 0.840 26.760 3.528 19.676 -99.200 -91.000 PHE 311 1.000 38.089 6.539 24.661 -99.200 -91.000 PHE 314 1.000 44.055 -4.841 15.585 -99.200 -91.000