============================================================================= 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. HIS 14 0.900 45.351 -17.300 -31.145 -99.200 -91.000 PHE 32 1.000 29.368 -24.050 -19.152 -99.200 -91.000 PHE 38 1.000 27.482 -22.183 -15.157 -99.200 -91.000 TRP 43 1.040 29.170 -17.250 -14.595 -99.200 -91.000 TRP6 43 1.020 28.420 -16.142 -16.555 -99.200 -91.000 TYR 50 0.840 24.060 -4.882 -14.356 -99.200 -91.000 PHE 53 1.000 15.363 -12.444 -20.897 -99.200 -91.000 TYR 54 0.840 17.374 -18.160 -15.232 -99.200 -91.000 TRP 55 1.040 12.558 -17.425 -21.300 -99.200 -91.000 TRP6 55 1.020 12.358 -19.398 -22.592 -99.200 -91.000 PHE 73 1.000 17.949 -6.102 -32.150 -99.200 -91.000 PHE 82 1.000 21.149 -7.912 -36.364 -99.200 -91.000 HIS 86 0.900 23.038 -10.283 -39.927 -99.200 -91.000 HIS 89 0.900 25.930 -17.186 -38.553 -99.200 -91.000 TRP 95 1.040 18.403 -15.154 -25.833 -99.200 -91.000 TRP6 95 1.020 17.083 -16.862 -24.783 -99.200 -91.000 PHE 100 1.000 -1.639 -4.730 -21.518 -99.200 -91.000 TRP 114 1.040 25.585 -22.046 -19.845 -99.200 -91.000 TRP6 114 1.020 23.580 -22.715 -18.799 -99.200 -91.000 PHE 128 1.000 26.177 -6.137 -35.916 -99.200 -91.000 HIS 135 0.900 35.616 -0.916 -33.522 -99.200 -91.000 PHE 143 1.000 30.944 -10.005 -22.379 -99.200 -91.000 HIS 157 0.900 19.193 -13.351 4.730 -99.200 -91.000 HIS 165 0.900 -2.619 -4.436 -1.862 -99.200 -91.000 TRP 166 1.040 -0.010 1.718 -6.281 -99.200 -91.000 TRP6 166 1.020 -0.325 4.002 -5.787 -99.200 -91.000 TRP 172 1.040 -10.422 -6.195 -6.748 -99.200 -91.000 TRP6 172 1.020 -9.083 -6.335 -8.683 -99.200 -91.000 HIS 200 0.900 8.379 1.901 -1.332 -99.200 -91.000 PHE 201 1.000 10.884 -5.572 0.159 -99.200 -91.000 TYR 222 0.840 7.078 -20.669 -20.599 -99.200 -91.000 HIS 223 0.900 11.190 -20.394 -12.979 -99.200 -91.000 PHE 224 1.000 8.800 -13.578 -16.847 -99.200 -91.000 TYR 225 0.840 17.438 -11.219 -13.131 -99.200 -91.000 PHE 228 1.000 14.381 -3.583 -17.871 -99.200 -91.000 PHE 234 1.000 8.422 -7.845 -15.974 -99.200 -91.000 TRP 243 1.040 5.381 -17.079 -30.958 -99.200 -91.000 TRP6 243 1.020 5.723 -14.829 -30.219 -99.200 -91.000 TRP 274 1.040 -16.245 -25.326 -7.743 -99.200 -91.000 TRP6 274 1.020 -15.211 -23.303 -8.480 -99.200 -91.000 HIS 318 0.900 -3.825 -20.296 -13.580 -99.200 -91.000 TRP 324 1.040 -0.920 -28.868 -30.679 -99.200 -91.000 TRP6 324 1.020 1.360 -29.497 -30.691 -99.200 -91.000 HIS 337 0.900 3.037 -6.237 -33.342 -99.200 -91.000 PHE 356 1.000 -13.664 -0.904 -17.468 -99.200 -91.000 HIS 360 0.900 -12.808 3.199 -15.602 -99.200 -91.000 PHE 363 1.000 -1.341 -1.479 -12.132 -99.200 -91.000 TRP 367 1.040 9.379 -3.677 -18.883 -99.200 -91.000 TRP6 367 1.020 9.650 -3.695 -21.227 -99.200 -91.000 TYR 368 0.840 0.410 -8.082 -14.925 -99.200 -91.000 TYR 374 0.840 14.056 -18.957 -28.036 -99.200 -91.000 PHE 382 1.000 9.412 -13.699 -27.243 -99.200 -91.000 TYR 399 0.840 3.571 -5.216 -12.388 -99.200 -91.000 TRP 414 1.040 -8.402 -8.362 -1.867 -99.200 -91.000 TRP6 414 1.020 -7.391 -6.330 -2.534 -99.200 -91.000