============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 26 1.000 6.170 15.386 -6.573 -99.200 -91.000 PHE 28 1.000 1.011 12.044 -4.767 -99.200 -91.000 TYR 31 0.840 6.955 13.449 -11.392 -99.200 -91.000 TRP 35 1.040 5.128 4.004 0.942 -99.200 -91.000 TRP6 35 1.020 5.586 5.474 2.736 -99.200 -91.000 TRP 46 1.040 10.110 -1.509 -5.014 -99.200 -91.000 TRP6 46 1.020 8.745 -3.372 -5.501 -99.200 -91.000 TYR 56 0.840 3.929 -2.966 -11.362 -99.200 -91.000 TYR 57 0.840 0.994 -4.137 -2.788 -99.200 -91.000 PHE 65 1.000 3.784 -3.995 4.874 -99.200 -91.000 TYR 77 0.840 -3.085 8.344 3.042 -99.200 -91.000 TYR 91 0.840 8.769 0.458 6.629 -99.200 -91.000 PHE 92 1.000 15.047 6.289 3.925 -99.200 -91.000 HIS 98 0.900 6.894 4.749 -15.239 -99.200 -91.000 TYR 99 0.840 5.815 10.265 -18.803 -99.200 -91.000 TRP 105 1.040 11.924 1.775 -14.382 -99.200 -91.000 TRP6 105 1.020 11.117 1.012 -16.479 -99.200 -91.000 TYR 106 0.840 15.794 8.829 -13.314 -99.200 -91.000 PHE 107 1.000 13.536 3.836 -6.071 -99.200 -91.000 TRP 110 1.040 15.786 8.486 -2.581 -99.200 -91.000 TRP6 110 1.020 15.706 6.265 -1.766 -99.200 -91.000 TYR 129 0.840 25.427 -2.673 35.984 -99.200 -91.000 TYR 147 0.840 19.725 1.538 25.916 -99.200 -91.000 PHE 148 1.000 12.077 -0.717 23.249 -99.200 -91.000 TRP 156 1.040 32.590 9.590 29.073 -99.200 -91.000 TRP6 156 1.020 32.830 8.063 30.867 -99.200 -91.000 HIS 166 0.900 37.267 5.911 20.706 -99.200 -91.000 PHE 168 1.000 33.180 1.121 21.800 -99.200 -91.000 TYR 177 0.840 17.850 -1.456 21.065 -99.200 -91.000 TRP 190 1.040 39.477 8.175 38.009 -99.200 -91.000 TRP6 190 1.020 40.299 5.970 38.189 -99.200 -91.000 HIS 201 0.900 15.830 5.153 28.189 -99.200 -91.000