============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 -1.379 -16.499 -38.431 -99.200 -91.000 PHE 20 1.000 11.524 -10.505 -47.930 -99.200 -91.000 HIS 24 0.900 4.312 -3.752 -44.727 -99.200 -91.000 PHE 29 1.000 5.432 5.894 -38.778 -99.200 -91.000 TYR 33 0.840 16.463 -2.585 -29.801 -99.200 -91.000 HIS 42 0.900 11.166 -4.698 -39.294 -99.200 -91.000 PHE 46 1.000 2.194 -8.921 -46.523 -99.200 -91.000 HIS 47 0.900 -4.326 -4.490 -46.143 -99.200 -91.000 PHE 55 1.000 2.177 -13.640 -42.688 -99.200 -91.000 TRP 58 1.040 9.544 -11.780 -33.606 -99.200 -91.000 TRP6 58 1.020 10.343 -12.026 -31.411 -99.200 -91.000 PHE 66 1.000 29.147 -10.234 -35.131 -99.200 -91.000 TYR 73 0.840 14.994 -14.602 -34.291 -99.200 -91.000 TYR 74 0.840 15.149 -19.936 -33.766 -99.200 -91.000 PHE 84 1.000 19.126 -19.780 -51.386 -99.200 -91.000 TYR 92 0.840 21.042 -24.087 -51.980 -99.200 -91.000 TRP 98 1.040 20.581 -20.320 -41.309 -99.200 -91.000 TRP6 98 1.020 20.378 -19.083 -39.298 -99.200 -91.000 HIS 99 0.900 14.095 -27.938 -43.107 -99.200 -91.000 TYR 134 0.840 14.085 -20.922 -54.467 -99.200 -91.000 TYR 135 0.840 7.200 -18.409 -53.707 -99.200 -91.000 TYR 143 0.840 11.236 -11.664 -59.571 -99.200 -91.000 PHE 145 1.000 7.739 -7.506 -49.388 -99.200 -91.000 PHE 149 1.000 6.159 -11.316 -46.328 -99.200 -91.000 TRP 151 1.040 3.515 -21.862 -50.121 -99.200 -91.000 TRP6 151 1.020 4.336 -22.679 -48.064 -99.200 -91.000 PHE 164 1.000 -0.967 -11.316 -49.595 -99.200 -91.000 TYR 185 0.840 17.430 -15.797 -62.912 -99.200 -91.000 HIS 187 0.900 12.669 -22.940 -69.566 -99.200 -91.000