============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 12 1.000 -0.571 10.833 -16.401 -99.200 -91.000 PHE 14 1.000 2.344 4.551 -6.588 -99.200 -91.000 PHE 33 1.000 -14.161 -6.945 -12.790 -99.200 -91.000 TYR 42 0.840 -11.982 -22.777 -28.333 -99.200 -91.000 HIS 53 0.900 -22.451 8.395 -22.764 -99.200 -91.000 TRP 56 1.040 -14.989 -5.537 -27.342 -99.200 -91.000 TRP6 56 1.020 -14.388 -7.679 -26.539 -99.200 -91.000 HIS 59 0.900 -24.836 -10.618 -29.667 -99.200 -91.000 TYR 63 0.840 -14.069 -9.997 -31.241 -99.200 -91.000 TYR 65 0.840 -16.790 -0.946 -28.822 -99.200 -91.000 TRP 76 1.040 -22.313 -1.758 -21.037 -99.200 -91.000 TRP6 76 1.020 -21.551 -3.861 -20.264 -99.200 -91.000 PHE 83 1.000 -12.908 3.817 -13.748 -99.200 -91.000 HIS 84 0.900 -14.352 12.318 -19.139 -99.200 -91.000 TYR 96 0.840 -2.834 10.455 -29.392 -99.200 -91.000 PHE 99 1.000 -9.631 8.864 -25.964 -99.200 -91.000 TYR 109 0.840 -5.382 -9.135 -18.004 -99.200 -91.000 HIS 118 0.900 -6.251 -7.584 -28.410 -99.200 -91.000 PHE 141 1.000 0.732 -3.363 -24.183 -99.200 -91.000 PHE 143 1.000 2.037 -0.770 -29.265 -99.200 -91.000 HIS 159 0.900 -0.999 0.188 -8.265 -99.200 -91.000 TRP 165 1.040 -2.729 1.224 -29.011 -99.200 -91.000 TRP6 165 1.020 -2.893 0.381 -26.801 -99.200 -91.000 PHE 172 1.000 1.994 -0.006 -34.961 -99.200 -91.000 TYR 173 0.840 -2.407 -7.998 -35.356 -99.200 -91.000 HIS 174 0.900 -3.546 -3.989 -28.502 -99.200 -91.000 PHE 183 1.000 -0.140 -8.569 -0.738 -99.200 -91.000 HIS 184 0.900 -0.359 -3.260 -5.916 -99.200 -91.000 TYR 192 0.840 -9.254 -4.965 -10.381 -99.200 -91.000 PHE 196 1.000 -10.375 5.337 -19.206 -99.200 -91.000