============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 16 1.000 -4.721 -57.547 1.182 -99.200 -91.000 PHE 28 1.000 -10.963 -48.329 5.068 -99.200 -91.000 TRP 41 1.040 -18.348 -43.648 10.798 -99.200 -91.000 TRP6 41 1.020 -19.984 -44.836 9.598 -99.200 -91.000 PHE 42 1.000 -16.449 -44.558 14.587 -99.200 -91.000 PHE 43 1.000 -12.275 -48.763 12.659 -99.200 -91.000 TYR 47 0.840 2.074 -45.054 4.308 -99.200 -91.000 TRP 56 1.040 -3.325 -41.580 9.931 -99.200 -91.000 TRP6 56 1.020 -4.399 -43.392 11.005 -99.200 -91.000 TYR 60 0.840 -11.555 -41.796 -3.151 -99.200 -91.000 PHE 76 1.000 0.016 -50.812 3.684 -99.200 -91.000 PHE 78 1.000 -9.234 -51.343 9.748 -99.200 -91.000 PHE 82 1.000 -10.841 -38.893 11.687 -99.200 -91.000 TYR 83 0.840 -10.058 -42.883 20.038 -99.200 -91.000 PHE 100 1.000 -13.266 -46.860 17.945 -99.200 -91.000 TYR 101 0.840 -11.823 -54.759 25.148 -99.200 -91.000 TYR 114 0.840 -2.843 -40.768 35.390 -99.200 -91.000 TYR 126 0.840 -16.510 -53.739 33.889 -99.200 -91.000 HIS 132 0.900 -9.294 -65.223 30.061 -99.200 -91.000 HIS 135 0.900 -13.835 -66.417 39.517 -99.200 -91.000 HIS 140 0.900 -12.354 -69.240 34.916 -99.200 -91.000 PHE 144 1.000 -8.382 -68.832 32.984 -99.200 -91.000 HIS 159 0.900 -0.416 -49.442 43.613 -99.200 -91.000 TRP 166 1.040 -0.565 -55.985 41.179 -99.200 -91.000 TRP6 166 1.020 -1.976 -54.142 41.642 -99.200 -91.000 TRP 173 1.040 -12.581 -55.121 42.424 -99.200 -91.000 TRP6 173 1.020 -14.559 -54.023 43.085 -99.200 -91.000 TRP 174 1.040 -13.649 -62.606 35.559 -99.200 -91.000 TRP6 174 1.020 -12.089 -64.373 35.434 -99.200 -91.000 HIS 177 0.900 -17.044 -56.825 36.287 -99.200 -91.000 TYR 189 0.840 -10.972 -51.531 29.053 -99.200 -91.000 TYR 199 0.840 -11.933 -42.462 24.799 -99.200 -91.000 TYR 203 0.840 -2.725 -34.757 24.724 -99.200 -91.000 PHE 204 1.000 -1.277 -33.148 16.263 -99.200 -91.000 TRP 215 1.040 1.652 -30.629 25.546 -99.200 -91.000 TRP6 215 1.020 2.931 -32.030 24.138 -99.200 -91.000 TYR 226 0.840 -4.735 -30.516 26.665 -99.200 -91.000 PHE 238 1.000 -10.885 -21.557 20.753 -99.200 -91.000 TRP 240 1.040 -14.531 -30.700 16.393 -99.200 -91.000 TRP6 240 1.020 -12.531 -29.837 15.485 -99.200 -91.000 PHE 248 1.000 -0.585 -26.967 5.963 -99.200 -91.000 PHE 253 1.000 -3.776 -25.745 11.457 -99.200 -91.000 PHE 265 1.000 -6.468 -21.570 18.358 -99.200 -91.000 PHE 267 1.000 -2.377 -24.132 15.825 -99.200 -91.000 PHE 268 1.000 3.251 -18.578 14.448 -99.200 -91.000 HIS 286 0.900 -16.507 -28.654 11.459 -99.200 -91.000 TYR 289 0.840 -19.509 -30.877 16.942 -99.200 -91.000 TYR 338 0.840 -11.322 -61.460 11.106 -99.200 -91.000 HIS 385 0.900 -22.991 -42.685 0.844 -99.200 -91.000 HIS 386 0.900 -21.715 -45.821 4.141 -99.200 -91.000 HIS 387 0.900 -14.328 -44.890 3.042 -99.200 -91.000 HIS 423 0.900 -18.805 -41.904 44.145 -99.200 -91.000 HIS 449 0.900 -6.817 -38.769 38.505 -99.200 -91.000 TYR 460 0.840 -17.299 -35.750 29.491 -99.200 -91.000 PHE 478 1.000 -3.025 -19.883 21.290 -99.200 -91.000