============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 38 1.000 -39.452 -84.552 29.728 -99.200 -91.000 TRP 42 1.040 -42.128 -76.903 18.781 -99.200 -91.000 TRP6 42 1.020 -39.775 -76.943 18.919 -99.200 -91.000 PHE 45 1.000 -42.477 -62.223 19.411 -99.200 -91.000 TRP 52 1.040 -43.034 -74.565 29.106 -99.200 -91.000 TRP6 52 1.020 -41.478 -74.378 30.887 -99.200 -91.000 HIS 55 0.900 -42.863 -86.982 32.802 -99.200 -91.000 PHE 64 1.000 -32.159 -79.943 34.719 -99.200 -91.000 HIS 67 0.900 -26.584 -70.037 25.256 -99.200 -91.000 TRP 79 1.040 -12.179 -72.575 15.549 -99.200 -91.000 TRP6 79 1.020 -13.440 -73.400 17.373 -99.200 -91.000 PHE 84 1.000 -20.048 -74.537 13.798 -99.200 -91.000 TYR 94 0.840 -10.020 -79.944 21.482 -99.200 -91.000 TYR 115 0.840 -36.332 -87.737 39.115 -99.200 -91.000 HIS 122 0.900 -41.770 -86.522 37.688 -99.200 -91.000 HIS 144 0.900 -42.576 -65.304 22.830 -99.200 -91.000 TYR 158 0.840 -37.419 -75.326 44.046 -99.200 -91.000 TYR 187 0.840 -37.222 -40.305 23.581 -99.200 -91.000 HIS 194 0.900 -34.132 -14.059 34.604 -99.200 -91.000 HIS 201 0.900 -27.607 -24.212 34.056 -99.200 -91.000 PHE 206 1.000 -31.846 -36.541 34.421 -99.200 -91.000 TYR 213 0.840 -28.835 -41.230 44.004 -99.200 -91.000 TRP 215 1.040 -28.300 -45.333 40.892 -99.200 -91.000 TRP6 215 1.020 -30.500 -44.586 40.741 -99.200 -91.000 PHE 221 1.000 -25.306 -62.887 50.925 -99.200 -91.000 PHE 222 1.000 -27.009 -59.499 44.383 -99.200 -91.000 HIS 233 0.900 -27.587 -40.382 19.794 -99.200 -91.000 TYR 242 0.840 -32.686 -41.933 22.984 -99.200 -91.000 PHE 245 1.000 -31.720 -43.606 32.369 -99.200 -91.000 TYR 249 0.840 -32.871 -53.593 39.444 -99.200 -91.000 HIS 269 0.900 -32.148 -30.040 38.215 -99.200 -91.000 TYR 273 0.840 -39.931 -36.658 32.923 -99.200 -91.000 TRP 277 1.040 -38.524 -45.828 33.670 -99.200 -91.000 TRP6 277 1.020 -36.268 -45.853 34.284 -99.200 -91.000 PHE 284 1.000 -30.309 -65.318 39.851 -99.200 -91.000 PHE 320 1.000 -32.500 -61.636 30.368 -99.200 -91.000 PHE 331 1.000 -21.634 -77.239 38.349 -99.200 -91.000 HIS 339 0.900 -18.960 -66.100 24.831 -99.200 -91.000 TYR 357 0.840 -26.189 -79.796 34.909 -99.200 -91.000 HIS 358 0.900 -29.960 -89.182 37.407 -99.200 -91.000