============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 6 0.900 -32.165 -6.471 -9.741 -99.200 -91.000 PHE 15 1.000 -37.033 -8.205 1.784 -99.200 -91.000 PHE 21 1.000 -43.683 -15.378 -18.440 -99.200 -91.000 PHE 46 1.000 -39.174 -12.704 -16.298 -99.200 -91.000 HIS 47 0.900 -36.480 -13.478 -7.927 -99.200 -91.000 HIS 48 0.900 -44.135 -10.772 -9.102 -99.200 -91.000 PHE 49 1.000 -42.447 -17.500 -12.755 -99.200 -91.000 TYR 55 0.840 -54.717 -14.728 -14.932 -99.200 -91.000 HIS 60 0.900 -51.246 -27.114 -17.421 -99.200 -91.000 PHE 80 1.000 -44.502 -12.052 -4.028 -99.200 -91.000 TYR 81 0.840 -48.831 -19.064 -7.936 -99.200 -91.000 TRP 86 1.040 -63.962 -14.932 -11.450 -99.200 -91.000 TRP6 86 1.020 -62.972 -13.199 -12.709 -99.200 -91.000 HIS 91 0.900 -71.733 -13.912 -1.801 -99.200 -91.000 PHE 108 1.000 -46.480 -23.482 -5.423 -99.200 -91.000 TYR 110 0.840 -45.263 -20.232 1.066 -99.200 -91.000 TYR 114 0.840 -56.368 -15.791 -2.700 -99.200 -91.000 HIS 117 0.900 -58.530 -11.144 -11.676 -99.200 -91.000 TYR 118 0.840 -61.810 -7.132 -12.995 -99.200 -91.000 PHE 129 1.000 -65.232 -14.801 -17.533 -99.200 -91.000 HIS 134 0.900 -82.297 -10.711 -23.420 -99.200 -91.000 PHE 139 1.000 -73.175 -6.996 -13.564 -99.200 -91.000 TRP 148 1.040 -58.715 -6.287 3.894 -99.200 -91.000 TRP6 148 1.020 -57.343 -6.740 2.013 -99.200 -91.000 PHE 168 1.000 -60.553 -3.368 -4.493 -99.200 -91.000 TYR 170 0.840 -59.437 8.787 -2.966 -99.200 -91.000 TYR 184 0.840 -52.658 -8.843 9.118 -99.200 -91.000 HIS 194 0.900 -51.256 1.584 -21.319 -99.200 -91.000 TYR 196 0.840 -50.291 5.128 -26.570 -99.200 -91.000 PHE 205 1.000 -55.302 6.746 -2.007 -99.200 -91.000 TYR 216 0.840 -54.172 -5.173 -15.712 -99.200 -91.000 TYR 224 0.840 -55.444 -11.038 -22.898 -99.200 -91.000 TRP 227 1.040 -61.575 -10.373 -21.496 -99.200 -91.000 TRP6 227 1.020 -62.422 -9.641 -19.419 -99.200 -91.000 TYR 248 0.840 -32.105 6.193 -23.205 -99.200 -91.000 TYR 259 0.840 -43.277 6.123 -18.064 -99.200 -91.000 PHE 284 1.000 -34.234 -6.111 -13.113 -99.200 -91.000 PHE 286 1.000 -32.824 0.591 -20.772 -99.200 -91.000 TYR 305 0.840 -53.903 -0.640 -25.122 -99.200 -91.000 PHE 311 1.000 -66.857 -8.343 -14.726 -99.200 -91.000 HIS 314 0.900 -70.824 -5.341 -9.677 -99.200 -91.000 TRP 317 1.040 -66.852 -1.090 -15.105 -99.200 -91.000 TRP6 317 1.020 -66.646 0.942 -16.277 -99.200 -91.000 PHE 319 1.000 -61.333 -0.359 -14.719 -99.200 -91.000 TYR 323 0.840 -57.468 9.986 -8.092 -99.200 -91.000