============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 5 1.000 18.995 -3.171 -8.926 -99.200 -91.000 TYR 7 0.840 15.401 -5.948 -6.565 -99.200 -91.000 TYR 39 0.840 23.541 1.149 6.089 -99.200 -91.000 HIS 60 0.900 3.346 5.297 18.574 -99.200 -91.000 PHE 71 1.000 2.462 5.457 3.456 -99.200 -91.000 PHE 79 1.000 8.134 10.775 -7.327 -99.200 -91.000 TRP 114 1.040 27.467 6.634 7.595 -99.200 -91.000 TRP6 114 1.020 25.561 7.651 6.667 -99.200 -91.000 TRP 144 1.040 17.260 -5.704 -0.721 -99.200 -91.000 TRP6 144 1.020 16.947 -3.529 0.117 -99.200 -91.000 PHE 148 1.000 11.643 -4.083 -2.027 -99.200 -91.000 TYR 156 0.840 -2.016 -1.881 4.084 -99.200 -91.000 HIS 159 0.900 -2.881 5.452 5.613 -99.200 -91.000 HIS 166 0.900 0.271 3.663 19.918 -99.200 -91.000 PHE 173 1.000 7.710 -8.883 12.372 -99.200 -91.000 PHE 201 1.000 4.226 -9.692 14.249 -99.200 -91.000 TYR 217 0.840 -13.336 8.324 9.732 -99.200 -91.000 HIS 219 0.900 -17.907 -2.730 11.199 -99.200 -91.000 HIS 240 0.900 -3.984 3.999 -0.500 -99.200 -91.000 TYR 260 0.840 -16.460 16.252 -7.457 -99.200 -91.000 HIS 262 0.900 -7.083 9.959 -8.549 -99.200 -91.000 HIS 269 0.900 -17.700 8.713 -2.519 -99.200 -91.000 TYR 270 0.840 -17.307 1.575 -1.374 -99.200 -91.000 TYR 271 0.840 -14.889 3.327 5.792 -99.200 -91.000 PHE 274 1.000 -15.277 9.681 5.886 -99.200 -91.000 TYR 277 0.840 -18.921 15.320 6.893 -99.200 -91.000 HIS 279 0.900 -19.356 19.462 2.345 -99.200 -91.000 PHE 280 1.000 -17.187 11.838 0.288 -99.200 -91.000 TYR 284 0.840 -12.832 13.964 -12.562 -99.200 -91.000 TRP 288 1.040 -1.451 3.902 -9.625 -99.200 -91.000 TRP6 288 1.020 0.543 4.291 -10.823 -99.200 -91.000 TRP 289 1.040 -3.117 3.142 -14.582 -99.200 -91.000 TRP6 289 1.020 -3.512 3.414 -16.891 -99.200 -91.000 PHE 295 1.000 -4.345 13.703 -9.704 -99.200 -91.000 PHE 298 1.000 -11.542 17.732 -9.169 -99.200 -91.000 TYR 316 0.840 -1.530 17.586 -13.101 -99.200 -91.000 TYR 321 0.840 -2.839 23.096 -2.444 -99.200 -91.000 PHE 328 1.000 7.574 16.178 -8.420 -99.200 -91.000 HIS 333 0.900 3.935 18.070 2.953 -99.200 -91.000 HIS 341 0.900 -7.020 22.037 12.322 -99.200 -91.000 PHE 344 1.000 -6.947 19.499 4.701 -99.200 -91.000 HIS 350 0.900 -4.948 26.726 -6.118 -99.200 -91.000 PHE 369 1.000 -21.567 -5.638 -1.919 -99.200 -91.000 HIS 371 0.900 -14.738 -7.016 9.017 -99.200 -91.000 PHE 393 1.000 -17.878 -16.468 -3.725 -99.200 -91.000 TYR 408 0.840 -4.813 -12.042 -17.392 -99.200 -91.000 TYR 409 0.840 -4.646 -8.577 -13.959 -99.200 -91.000 PHE 412 1.000 -9.605 -14.344 -15.295 -99.200 -91.000 TYR 430 0.840 -10.567 2.995 -9.741 -99.200 -91.000 TYR 432 0.840 -11.757 -5.991 -11.687 -99.200 -91.000 TYR 456 0.840 -8.544 -8.110 8.701 -99.200 -91.000 PHE 469 1.000 -19.977 -23.547 1.877 -99.200 -91.000 TYR 481 0.840 -7.556 -16.861 -3.247 -99.200 -91.000 TRP 485 1.040 3.224 -7.575 -8.620 -99.200 -91.000 TRP6 485 1.020 5.166 -6.476 -7.872 -99.200 -91.000 TYR 486 0.840 3.001 0.709 -9.379 -99.200 -91.000 HIS 506 0.900 -3.840 -18.881 -10.906 -99.200 -91.000 PHE 514 1.000 10.072 -7.699 -4.897 -99.200 -91.000 PHE 527 1.000 3.663 -20.635 0.884 -99.200 -91.000 PHE 542 1.000 -5.153 -18.466 -14.118 -99.200 -91.000 PHE 543 1.000 -12.258 -19.869 -13.361 -99.200 -91.000