============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 8.278 -32.822 6.616 -99.200 -91.000 PHE 8 1.000 2.557 -45.128 9.170 -99.200 -91.000 TRP 31 1.040 -12.456 -61.649 6.500 -99.200 -91.000 TRP6 31 1.020 -11.670 -62.850 4.604 -99.200 -91.000 TYR 37 0.840 -14.357 -55.636 13.374 -99.200 -91.000 HIS 41 0.900 -23.962 -45.547 7.046 -99.200 -91.000 TYR 54 0.840 -28.771 -46.981 12.367 -99.200 -91.000 HIS 64 0.900 -31.047 -65.961 5.440 -99.200 -91.000 PHE 66 1.000 -26.302 -57.966 7.685 -99.200 -91.000 HIS 80 0.900 -27.207 -60.658 12.530 -99.200 -91.000 TYR 101 0.840 -6.736 -57.101 14.584 -99.200 -91.000 PHE 103 1.000 -10.375 -53.155 15.820 -99.200 -91.000 PHE 112 1.000 -7.046 -40.632 10.455 -99.200 -91.000 TYR 118 0.840 -14.731 -44.788 -3.662 -99.200 -91.000 TYR 126 0.840 -7.233 -39.558 1.521 -99.200 -91.000 HIS 134 0.900 -13.580 -34.162 18.422 -99.200 -91.000 PHE 140 1.000 -13.178 -40.707 2.850 -99.200 -91.000 PHE 150 1.000 -3.424 -47.728 6.826 -99.200 -91.000 TYR 154 0.840 8.030 -50.994 16.333 -99.200 -91.000 PHE 159 1.000 -7.028 -51.955 10.637 -99.200 -91.000 TYR 161 0.840 -12.484 -41.699 9.646 -99.200 -91.000 HIS 163 0.900 -16.213 -41.302 5.053 -99.200 -91.000 HIS 164 0.900 -19.765 -44.943 10.473 -99.200 -91.000 HIS 172 0.900 -14.854 -36.282 3.527 -99.200 -91.000 PHE 181 1.000 -20.445 -41.135 13.680 -99.200 -91.000 TYR 182 0.840 -12.176 -40.861 16.031 -99.200 -91.000 PHE 185 1.000 -19.535 -34.059 13.569 -99.200 -91.000 TRP 207 1.040 5.740 -27.656 7.982 -99.200 -91.000 TRP6 207 1.020 5.550 -25.301 7.844 -99.200 -91.000 TYR 209 0.840 11.559 -27.414 17.223 -99.200 -91.000 TRP 218 1.040 12.556 -18.380 5.978 -99.200 -91.000 TRP6 218 1.020 10.892 -16.746 6.471 -99.200 -91.000 PHE 219 1.000 11.754 -21.172 10.258 -99.200 -91.000 PHE 223 1.000 12.891 -9.808 19.741 -99.200 -91.000 PHE 230 1.000 2.401 -19.591 20.800 -99.200 -91.000 TYR 237 0.840 -2.369 -13.423 14.583 -99.200 -91.000 TYR 239 0.840 -1.596 -21.001 14.615 -99.200 -91.000 HIS 246 0.900 -0.313 -29.308 23.185 -99.200 -91.000 PHE 291 1.000 3.767 -32.783 7.069 -99.200 -91.000 PHE 294 1.000 5.531 -41.792 15.119 -99.200 -91.000 PHE 305 1.000 22.832 -28.700 4.768 -99.200 -91.000