============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 4 1.000 13.743 23.963 18.165 -99.200 -91.000 PHE 7 1.000 16.799 19.103 21.295 -99.200 -91.000 TYR 15 0.840 24.418 15.971 30.554 -99.200 -91.000 TYR 18 0.840 25.525 10.081 29.323 -99.200 -91.000 PHE 21 1.000 20.977 4.942 29.948 -99.200 -91.000 PHE 30 1.000 21.649 7.822 21.132 -99.200 -91.000 TYR 41 0.840 7.888 0.852 14.464 -99.200 -91.000 HIS 48 0.900 17.647 11.255 14.863 -99.200 -91.000 TRP 50 1.040 11.332 10.725 24.352 -99.200 -91.000 TRP6 50 1.020 13.261 11.134 25.670 -99.200 -91.000 TYR 54 0.840 8.937 16.873 12.169 -99.200 -91.000 PHE 56 1.000 15.969 16.808 12.102 -99.200 -91.000 HIS 79 0.900 14.616 22.322 8.696 -99.200 -91.000 PHE 87 1.000 19.760 22.610 25.379 -99.200 -91.000 TRP 97 1.040 30.273 20.624 16.028 -99.200 -91.000 TRP6 97 1.020 31.829 18.966 16.690 -99.200 -91.000 PHE 111 1.000 31.370 11.648 10.229 -99.200 -91.000 TYR 133 0.840 19.612 3.825 11.467 -99.200 -91.000 PHE 137 1.000 26.190 10.842 8.633 -99.200 -91.000 TRP 141 1.040 29.955 6.611 12.253 -99.200 -91.000 TRP6 141 1.020 31.131 8.141 13.641 -99.200 -91.000 TRP 145 1.040 32.212 3.616 16.266 -99.200 -91.000 TRP6 145 1.020 32.756 5.089 18.044 -99.200 -91.000 PHE 154 1.000 36.603 5.539 21.799 -99.200 -91.000 TRP 167 1.040 12.387 5.431 24.975 -99.200 -91.000 TRP6 167 1.020 14.193 5.917 23.522 -99.200 -91.000 PHE 177 1.000 1.042 14.163 20.193 -99.200 -91.000 PHE 188 1.000 -7.702 3.426 8.693 -99.200 -91.000 PHE 224 1.000 -11.840 5.354 6.494 -99.200 -91.000 TYR 240 0.840 1.546 19.451 20.944 -99.200 -91.000 PHE 242 1.000 -6.227 14.244 12.659 -99.200 -91.000 PHE 244 1.000 -6.845 14.767 6.925 -99.200 -91.000 TRP 249 1.040 -1.947 1.563 7.547 -99.200 -91.000 TRP6 249 1.020 -3.694 0.738 8.921 -99.200 -91.000 TYR 251 0.840 0.190 -4.325 13.177 -99.200 -91.000 PHE 261 1.000 -7.886 -19.203 12.575 -99.200 -91.000 TYR 275 0.840 -13.679 -21.737 5.847 -99.200 -91.000 TYR 288 0.840 -1.855 12.328 14.941 -99.200 -91.000 TYR 291 0.840 4.210 9.399 20.943 -99.200 -91.000 PHE 299 1.000 -14.397 -8.613 13.525 -99.200 -91.000 TYR 311 0.840 -15.441 -12.829 21.680 -99.200 -91.000 PHE 313 1.000 -11.123 -18.221 30.235 -99.200 -91.000 TYR 336 0.840 2.660 -15.678 30.183 -99.200 -91.000 TYR 342 0.840 -9.124 -15.537 35.598 -99.200 -91.000 PHE 354 1.000 -2.861 -16.691 27.637 -99.200 -91.000 PHE 366 1.000 3.034 -3.778 17.205 -99.200 -91.000 PHE 371 1.000 7.574 -2.888 30.916 -99.200 -91.000 TYR 379 0.840 14.779 -7.222 31.993 -99.200 -91.000 PHE 388 1.000 2.248 -2.025 30.106 -99.200 -91.000 PHE 392 1.000 -6.039 -11.789 26.503 -99.200 -91.000 PHE 394 1.000 -6.910 -18.988 25.883 -99.200 -91.000 TYR 406 0.840 -12.472 -22.684 18.359 -99.200 -91.000 PHE 426 1.000 -9.780 -2.018 28.216 -99.200 -91.000 TYR 430 0.840 -15.187 -2.289 16.161 -99.200 -91.000 PHE 439 1.000 -20.705 -9.474 11.969 -99.200 -91.000 TYR 440 0.840 -25.297 -15.727 14.658 -99.200 -91.000 PHE 441 1.000 -22.867 -13.522 6.407 -99.200 -91.000