============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 13 1.040 21.581 -28.467 12.081 -99.200 -91.000 TRP6 13 1.020 19.536 -27.560 12.860 -99.200 -91.000 TRP 16 1.040 21.368 -22.278 22.277 -99.200 -91.000 TRP6 16 1.020 19.419 -20.981 22.621 -99.200 -91.000 PHE 19 1.000 19.572 -21.575 11.892 -99.200 -91.000 PHE 38 1.000 13.700 -27.258 14.383 -99.200 -91.000 TRP 50 1.040 24.944 -32.484 5.675 -99.200 -91.000 TRP6 50 1.020 27.027 -31.840 6.590 -99.200 -91.000 TYR 55 0.840 27.672 -35.212 10.725 -99.200 -91.000 TYR 57 0.840 20.196 -39.177 17.606 -99.200 -91.000 TRP 64 1.040 10.190 -27.462 22.217 -99.200 -91.000 TRP6 64 1.020 8.167 -28.662 22.494 -99.200 -91.000 PHE 81 1.000 8.045 -25.768 16.035 -99.200 -91.000 HIS 83 0.900 1.462 -28.872 8.420 -99.200 -91.000 PHE 87 1.000 3.664 -32.505 8.647 -99.200 -91.000 TYR 91 0.840 9.684 -33.673 5.724 -99.200 -91.000 HIS 93 0.900 10.621 -40.868 13.439 -99.200 -91.000 TYR 102 0.840 15.742 -26.760 26.023 -99.200 -91.000 PHE 108 1.000 8.645 -19.891 34.436 -99.200 -91.000 TYR 113 0.840 9.725 -19.948 24.589 -99.200 -91.000 PHE 128 1.000 9.160 -34.240 25.626 -99.200 -91.000 TRP 131 1.040 3.828 -35.248 20.658 -99.200 -91.000 TRP6 131 1.020 4.659 -33.232 21.577 -99.200 -91.000 PHE 142 1.000 14.441 -19.310 34.977 -99.200 -91.000 TYR 152 0.840 18.958 -33.132 34.987 -99.200 -91.000 PHE 168 1.000 17.554 -37.790 30.482 -99.200 -91.000 TRP 172 1.040 22.281 -33.194 38.416 -99.200 -91.000 TRP6 172 1.020 21.946 -35.424 39.133 -99.200 -91.000 TYR 175 0.840 21.952 -25.712 34.624 -99.200 -91.000 TYR 185 0.840 31.238 -36.464 35.739 -99.200 -91.000 TRP 195 1.040 28.436 -36.498 31.348 -99.200 -91.000 TRP6 195 1.020 28.146 -38.841 31.367 -99.200 -91.000 TYR 198 0.840 33.806 -25.143 31.493 -99.200 -91.000 TRP 205 1.040 41.245 -20.247 18.727 -99.200 -91.000 TRP6 205 1.020 40.897 -22.540 18.265 -99.200 -91.000 TRP 206 1.040 38.438 -16.351 25.697 -99.200 -91.000 TRP6 206 1.020 36.614 -16.980 27.074 -99.200 -91.000 TRP 214 1.040 36.175 -27.099 33.554 -99.200 -91.000 TRP6 214 1.020 34.799 -29.009 33.342 -99.200 -91.000 PHE 215 1.000 34.956 -31.317 28.600 -99.200 -91.000 HIS 218 0.900 39.033 -29.505 36.308 -99.200 -91.000 HIS 230 0.900 29.402 -44.768 30.094 -99.200 -91.000 TRP 231 1.040 28.913 -41.367 24.013 -99.200 -91.000 TRP6 231 1.020 30.901 -42.593 23.625 -99.200 -91.000 PHE 242 1.000 27.537 -15.973 10.964 -99.200 -91.000 TRP 256 1.040 33.655 -30.738 20.229 -99.200 -91.000 TRP6 256 1.020 35.026 -29.088 21.245 -99.200 -91.000 HIS 301 0.900 55.557 -33.892 25.061 -99.200 -91.000 TYR 310 0.840 44.761 -32.263 23.174 -99.200 -91.000 PHE 323 1.000 51.617 -34.943 15.946 -99.200 -91.000 PHE 324 1.000 44.992 -26.651 19.638 -99.200 -91.000 TYR 332 0.840 57.266 -24.976 16.555 -99.200 -91.000 TYR 334 0.840 55.898 -31.450 18.311 -99.200 -91.000 HIS 335 0.900 62.111 -30.432 13.737 -99.200 -91.000 PHE 343 1.000 52.195 -43.974 20.163 -99.200 -91.000 TYR 349 0.840 53.024 -47.915 16.149 -99.200 -91.000 TYR 355 0.840 41.362 -31.878 9.154 -99.200 -91.000 PHE 369 1.000 56.550 -37.750 14.394 -99.200 -91.000 TRP 381 1.040 50.479 -37.768 11.488 -99.200 -91.000 TRP6 381 1.020 52.622 -38.507 12.145 -99.200 -91.000 TYR 382 0.840 43.384 -45.061 11.547 -99.200 -91.000 TYR 384 0.840 47.727 -47.394 9.158 -99.200 -91.000