============================================================================= 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 23.765 39.222 8.246 -99.200 -91.000 TYR 7 0.840 12.041 37.571 10.792 -99.200 -91.000 TYR 14 0.840 13.049 40.371 20.353 -99.200 -91.000 PHE 15 1.000 16.467 37.759 16.494 -99.200 -91.000 PHE 19 1.000 20.848 45.407 14.621 -99.200 -91.000 PHE 23 1.000 20.344 40.616 17.963 -99.200 -91.000 TRP 25 1.040 22.823 34.916 20.196 -99.200 -91.000 TRP6 25 1.020 24.051 32.997 20.831 -99.200 -91.000 TYR 31 0.840 26.127 18.919 21.610 -99.200 -91.000 PHE 36 1.000 24.664 19.402 30.209 -99.200 -91.000 HIS 40 0.900 25.899 37.419 27.017 -99.200 -91.000 TYR 51 0.840 27.347 38.949 14.718 -99.200 -91.000 PHE 60 1.000 30.493 19.036 24.316 -99.200 -91.000 TRP 74 1.040 25.929 21.606 13.725 -99.200 -91.000 TRP6 74 1.020 25.258 20.372 15.626 -99.200 -91.000 TYR 82 0.840 7.457 29.521 22.938 -99.200 -91.000 HIS 103 0.900 21.831 11.981 11.063 -99.200 -91.000 HIS 109 0.900 16.912 23.601 26.645 -99.200 -91.000 TYR 112 0.840 17.062 33.958 19.866 -99.200 -91.000 PHE 126 1.000 5.064 28.142 18.036 -99.200 -91.000 HIS 127 0.900 8.679 33.656 14.481 -99.200 -91.000 PHE 128 1.000 6.626 26.235 13.093 -99.200 -91.000 HIS 131 0.900 18.277 29.576 11.752 -99.200 -91.000 HIS 143 0.900 43.369 30.121 9.173 -99.200 -91.000 TYR 144 0.840 37.381 25.060 11.713 -99.200 -91.000 TYR 147 0.840 24.902 29.135 2.626 -99.200 -91.000 TYR 154 0.840 2.814 33.322 10.888 -99.200 -91.000 HIS 163 0.900 -6.101 28.506 15.345 -99.200 -91.000 HIS 164 0.900 -0.969 33.681 11.825 -99.200 -91.000