============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 3 1.000 42.952 -44.586 29.297 -99.200 -91.000 TYR 9 0.840 30.847 -35.383 22.386 -99.200 -91.000 TYR 14 0.840 32.219 -39.897 24.266 -99.200 -91.000 PHE 23 1.000 41.314 -45.926 15.484 -99.200 -91.000 TRP 59 1.040 28.851 -21.167 17.844 -99.200 -91.000 TRP6 59 1.020 29.229 -20.840 20.177 -99.200 -91.000 TYR 114 0.840 44.525 -13.419 19.626 -99.200 -91.000 TYR 115 0.840 41.699 -16.827 16.966 -99.200 -91.000 PHE 134 1.000 24.001 2.665 3.102 -99.200 -91.000 TYR 136 0.840 24.296 -3.480 4.757 -99.200 -91.000 TRP 151 1.040 51.763 -38.796 13.462 -99.200 -91.000 TRP6 151 1.020 53.929 -38.278 14.316 -99.200 -91.000 TYR 153 0.840 53.596 -30.042 19.632 -99.200 -91.000 TRP 160 1.040 47.249 -23.632 18.479 -99.200 -91.000 TRP6 160 1.020 49.418 -23.219 17.598 -99.200 -91.000 PHE 174 1.000 40.729 -32.193 15.073 -99.200 -91.000 TYR 191 0.840 35.443 -26.544 22.006 -99.200 -91.000 PHE 201 1.000 35.608 -30.148 18.328 -99.200 -91.000 TRP 214 1.040 34.166 -41.794 2.640 -99.200 -91.000 TRP6 214 1.020 34.016 -43.519 4.277 -99.200 -91.000 HIS 218 0.900 28.431 -34.190 3.182 -99.200 -91.000 PHE 226 1.000 46.382 -32.613 5.774 -99.200 -91.000 PHE 261 1.000 74.032 -14.212 9.423 -99.200 -91.000 PHE 278 1.000 68.890 -33.158 18.575 -99.200 -91.000 PHE 279 1.000 59.750 -28.873 23.556 -99.200 -91.000 PHE 291 1.000 72.542 -23.422 5.488 -99.200 -91.000 HIS 293 0.900 82.574 -17.703 8.571 -99.200 -91.000 PHE 300 1.000 76.625 -24.750 16.220 -99.200 -91.000 PHE 323 1.000 65.353 -37.573 22.035 -99.200 -91.000 PHE 329 1.000 58.671 -50.647 17.866 -99.200 -91.000 HIS 331 0.900 58.149 -40.664 12.164 -99.200 -91.000 TYR 338 0.840 64.434 -39.585 5.445 -99.200 -91.000 PHE 361 1.000 65.546 -46.357 28.134 -99.200 -91.000 TYR 366 0.840 62.302 -44.864 24.633 -99.200 -91.000 PHE 372 1.000 74.221 -38.511 9.835 -99.200 -91.000 PHE 387 1.000 56.981 -34.600 12.032 -99.200 -91.000 TYR 396 0.840 77.595 -19.076 7.047 -99.200 -91.000 TYR 411 0.840 59.736 -29.498 2.382 -99.200 -91.000 HIS 426 0.900 65.241 -5.825 12.541 -99.200 -91.000 HIS 430 0.900 63.373 -6.777 6.847 -99.200 -91.000 TRP 438 1.040 60.634 -18.144 15.991 -99.200 -91.000 TRP6 438 1.020 60.099 -20.292 15.054 -99.200 -91.000 TRP 442 1.040 63.379 -23.009 15.704 -99.200 -91.000 TRP6 442 1.020 64.360 -22.296 13.656 -99.200 -91.000 TYR 454 0.840 56.888 -16.534 2.576 -99.200 -91.000 HIS 470 0.900 42.132 -14.847 5.669 -99.200 -91.000 TYR 471 0.840 38.575 -21.328 10.328 -99.200 -91.000 TYR 484 0.840 18.266 -0.255 -12.367 -99.200 -91.000 PHE 488 1.000 18.655 -3.634 -22.493 -99.200 -91.000