============================================================================= 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 4 1.000 24.265 39.464 8.030 -99.200 -91.000 TYR 7 0.840 12.496 37.861 10.670 -99.200 -91.000 TYR 14 0.840 13.503 40.713 20.113 -99.200 -91.000 PHE 15 1.000 16.936 38.155 16.289 -99.200 -91.000 PHE 19 1.000 21.367 45.858 14.520 -99.200 -91.000 PHE 23 1.000 20.836 41.018 17.803 -99.200 -91.000 TRP 25 1.040 23.290 35.249 20.067 -99.200 -91.000 TRP6 25 1.020 24.504 33.334 20.744 -99.200 -91.000 TYR 31 0.840 26.414 19.188 21.527 -99.200 -91.000 PHE 36 1.000 24.899 19.781 30.126 -99.200 -91.000 HIS 40 0.900 26.273 37.714 26.898 -99.200 -91.000 TYR 51 0.840 27.886 39.234 14.600 -99.200 -91.000 PHE 60 1.000 30.834 19.209 24.310 -99.200 -91.000 TRP 74 1.040 26.336 21.869 13.550 -99.200 -91.000 TRP6 74 1.020 25.615 20.642 15.440 -99.200 -91.000 TYR 82 0.840 7.825 29.914 22.707 -99.200 -91.000 HIS 103 0.900 22.266 12.143 11.026 -99.200 -91.000 HIS 109 0.900 17.250 23.946 26.447 -99.200 -91.000 TYR 112 0.840 17.466 34.341 19.606 -99.200 -91.000 PHE 126 1.000 5.418 28.526 17.812 -99.200 -91.000 HIS 127 0.900 9.100 33.992 14.221 -99.200 -91.000 PHE 128 1.000 6.942 26.689 12.864 -99.200 -91.000 HIS 131 0.900 18.452 29.223 11.898 -99.200 -91.000 HIS 143 0.900 43.757 30.204 9.029 -99.200 -91.000 TYR 144 0.840 37.742 25.126 11.697 -99.200 -91.000 TYR 147 0.840 25.483 29.767 2.422 -99.200 -91.000 TYR 154 0.840 3.257 33.707 10.563 -99.200 -91.000 HIS 163 0.900 -2.670 30.650 15.145 -99.200 -91.000 HIS 164 0.900 -0.765 34.256 11.340 -99.200 -91.000