============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 19 0.900 23.321 -13.283 39.647 -99.200 -91.000 PHE 20 1.000 19.171 -3.501 41.239 -99.200 -91.000 TRP 22 1.040 22.838 -1.784 46.230 -99.200 -91.000 TRP6 22 1.020 21.411 -3.618 45.816 -99.200 -91.000 TYR 32 0.840 22.206 -1.811 50.703 -99.200 -91.000 TYR 36 0.840 11.547 -8.439 41.939 -99.200 -91.000 TRP 37 1.040 8.034 -1.976 37.655 -99.200 -91.000 TRP6 37 1.020 9.323 -0.801 39.243 -99.200 -91.000 HIS 47 0.900 6.876 -9.689 42.343 -99.200 -91.000 TYR 62 0.840 5.923 -14.520 33.777 -99.200 -91.000 TYR 64 0.840 12.892 -12.339 23.926 -99.200 -91.000 TYR 67 0.840 11.105 -9.486 35.404 -99.200 -91.000 TYR 74 0.840 16.890 -2.018 55.605 -99.200 -91.000 TYR 82 0.840 13.192 2.535 46.779 -99.200 -91.000 HIS 91 0.900 20.915 -14.973 29.548 -99.200 -91.000 PHE 103 1.000 -2.316 -36.388 13.653 -99.200 -91.000 TRP 115 1.040 2.473 -27.051 15.075 -99.200 -91.000 TRP6 115 1.020 2.854 -28.064 12.980 -99.200 -91.000 TYR 128 0.840 5.975 -24.038 15.349 -99.200 -91.000 TYR 132 0.840 6.830 -38.567 7.586 -99.200 -91.000 TYR 169 0.840 3.086 -43.683 8.664 -99.200 -91.000 TYR 171 0.840 1.746 -38.516 11.785 -99.200 -91.000 TRP 181 1.040 15.681 -27.161 16.976 -99.200 -91.000 TRP6 181 1.020 13.739 -26.884 15.660 -99.200 -91.000