============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 14 0.840 -25.302 -44.595 -16.190 -99.200 -91.000 TYR 21 0.840 -5.777 -51.531 -26.592 -99.200 -91.000 PHE 53 1.000 8.012 -82.744 -27.998 -99.200 -91.000 HIS 64 0.900 14.529 -82.285 -30.179 -99.200 -91.000 TYR 68 0.840 4.073 -80.105 -30.363 -99.200 -91.000 PHE 78 1.000 -1.605 -72.040 -40.475 -99.200 -91.000 TYR 81 0.840 -8.874 -76.638 -44.227 -99.200 -91.000 HIS 88 0.900 4.526 -72.180 -23.052 -99.200 -91.000 PHE 102 1.000 7.014 -70.611 -34.637 -99.200 -91.000 TYR 105 0.840 4.857 -68.991 -40.995 -99.200 -91.000 TYR 140 0.840 -4.103 -60.954 -17.800 -99.200 -91.000 TYR 147 0.840 2.307 -62.776 -23.192 -99.200 -91.000 TYR 148 0.840 -2.133 -54.440 -28.674 -99.200 -91.000 PHE 154 1.000 -6.533 -65.894 -30.018 -99.200 -91.000 TRP 157 1.040 -7.556 -67.569 -16.182 -99.200 -91.000 TRP6 157 1.020 -5.932 -66.132 -15.230 -99.200 -91.000 TYR 161 0.840 -15.403 -74.286 -12.766 -99.200 -91.000 PHE 175 1.000 -10.612 -67.785 -5.653 -99.200 -91.000 TYR 183 0.840 -8.768 -64.378 -19.222 -99.200 -91.000 HIS 206 0.900 -18.779 -86.798 -14.793 -99.200 -91.000 HIS 217 0.900 -24.560 -74.372 -9.373 -99.200 -91.000 TRP 219 1.040 -20.161 -73.908 -18.668 -99.200 -91.000 TRP6 219 1.020 -21.101 -75.132 -20.462 -99.200 -91.000 HIS 229 0.900 -15.312 -58.774 -11.861 -99.200 -91.000 TRP 233 1.040 -21.964 -59.689 -21.996 -99.200 -91.000 TRP6 233 1.020 -21.375 -61.897 -21.379 -99.200 -91.000 HIS 260 0.900 -31.744 -81.971 -26.356 -99.200 -91.000 TYR 261 0.840 -28.313 -84.557 -22.212 -99.200 -91.000 PHE 279 1.000 -18.781 -76.389 -28.164 -99.200 -91.000 TYR 292 0.840 -18.991 -86.417 -29.239 -99.200 -91.000 TYR 305 0.840 -24.566 -69.186 -28.179 -99.200 -91.000 PHE 306 1.000 -17.671 -69.368 -36.037 -99.200 -91.000 PHE 309 1.000 -11.677 -76.059 -35.566 -99.200 -91.000 TYR 311 0.840 -11.946 -79.547 -31.413 -99.200 -91.000 TRP 323 1.040 7.853 -83.828 -37.131 -99.200 -91.000 TRP6 323 1.020 8.080 -83.007 -34.926 -99.200 -91.000 PHE 337 1.000 -2.530 -78.455 -38.449 -99.200 -91.000 HIS 339 0.900 -8.385 -86.351 -43.094 -99.200 -91.000 TYR 352 0.840 -16.732 -85.615 -39.512 -99.200 -91.000