============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 7 0.840 -3.501 35.284 -4.504 -99.200 -91.000 PHE 11 1.000 8.539 33.874 -13.612 -99.200 -91.000 TYR 12 0.840 4.580 36.005 -8.839 -99.200 -91.000 PHE 21 1.000 15.486 23.755 -10.888 -99.200 -91.000 PHE 45 1.000 16.484 40.964 -18.198 -99.200 -91.000 TYR 49 0.840 15.097 33.450 -5.767 -99.200 -91.000 TRP 66 1.040 15.008 47.534 -11.960 -99.200 -91.000 TRP6 66 1.020 14.223 46.769 -9.838 -99.200 -91.000 PHE 78 1.000 21.082 49.488 -2.743 -99.200 -91.000 TYR 80 0.840 14.393 49.308 -1.227 -99.200 -91.000 TYR 83 0.840 8.038 50.774 2.889 -99.200 -91.000 TYR 95 0.840 0.447 42.388 -9.756 -99.200 -91.000 TYR 97 0.840 10.311 46.483 -6.899 -99.200 -91.000 TRP 119 1.040 22.663 57.242 -4.519 -99.200 -91.000 TRP6 119 1.020 23.729 55.405 -3.416 -99.200 -91.000 TYR 125 0.840 26.512 50.916 -5.968 -99.200 -91.000 TYR 126 0.840 25.546 44.096 -12.750 -99.200 -91.000 HIS 132 0.900 10.685 41.232 1.790 -99.200 -91.000 PHE 135 1.000 6.512 31.321 -5.482 -99.200 -91.000 PHE 139 1.000 4.746 41.916 8.095 -99.200 -91.000 TYR 143 0.840 14.995 31.276 11.881 -99.200 -91.000 TYR 159 0.840 19.104 36.845 -15.953 -99.200 -91.000 TYR 173 0.840 12.422 53.390 8.115 -99.200 -91.000 HIS 178 0.900 11.498 40.430 10.294 -99.200 -91.000 TRP 182 1.040 14.976 37.909 11.096 -99.200 -91.000 TRP6 182 1.020 15.507 35.827 12.092 -99.200 -91.000 TYR 190 0.840 20.079 29.519 2.912 -99.200 -91.000 HIS 201 0.900 19.267 46.754 9.786 -99.200 -91.000 PHE 212 1.000 0.591 40.353 19.550 -99.200 -91.000 PHE 214 1.000 5.857 50.648 20.259 -99.200 -91.000 PHE 220 1.000 0.117 53.243 12.098 -99.200 -91.000 PHE 223 1.000 1.492 47.860 9.317 -99.200 -91.000 HIS 235 0.900 7.579 29.250 12.541 -99.200 -91.000 PHE 241 1.000 -2.007 26.387 20.678 -99.200 -91.000 PHE 262 1.000 -7.215 43.404 4.218 -99.200 -91.000 TYR 271 0.840 -7.672 43.933 9.944 -99.200 -91.000 PHE 273 1.000 -7.708 53.268 17.433 -99.200 -91.000 PHE 277 1.000 -3.569 38.339 23.230 -99.200 -91.000 TYR 307 0.840 18.360 32.134 16.983 -99.200 -91.000 PHE 314 1.000 27.850 42.363 7.003 -99.200 -91.000 PHE 317 1.000 23.217 55.121 9.226 -99.200 -91.000 TRP 319 1.040 17.285 55.381 9.476 -99.200 -91.000 TRP6 319 1.020 17.983 54.004 7.666 -99.200 -91.000 HIS 320 0.900 13.838 51.963 15.602 -99.200 -91.000 TYR 329 0.840 16.006 53.860 20.453 -99.200 -91.000 TYR 335 0.840 20.755 43.100 16.036 -99.200 -91.000 PHE 348 1.000 21.427 52.499 17.880 -99.200 -91.000 TYR 351 0.840 17.976 60.211 12.602 -99.200 -91.000 HIS 356 0.900 8.306 53.194 11.157 -99.200 -91.000 PHE 362 1.000 14.129 63.683 10.414 -99.200 -91.000 TRP 369 1.040 28.956 59.512 3.090 -99.200 -91.000 TRP6 369 1.020 30.064 60.040 1.042 -99.200 -91.000 PHE 370 1.000 27.682 51.911 6.652 -99.200 -91.000 PHE 375 1.000 28.333 48.230 -2.948 -99.200 -91.000 PHE 421 1.000 4.345 52.043 7.222 -99.200 -91.000 PHE 425 1.000 7.398 59.200 2.904 -99.200 -91.000