============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 20 1.000 -8.387 -31.041 -23.077 -99.200 -91.000 PHE 23 1.000 -12.695 -34.669 -14.707 -99.200 -91.000 PHE 25 1.000 -2.768 -33.302 -23.226 -99.200 -91.000 HIS 26 0.900 -0.010 -35.297 -19.350 -99.200 -91.000 TYR 46 0.840 -13.897 -34.968 -40.730 -99.200 -91.000 TYR 47 0.840 -15.652 -31.753 -37.403 -99.200 -91.000 PHE 48 1.000 -11.397 -29.879 -32.756 -99.200 -91.000 TYR 55 0.840 -4.058 -28.438 -23.393 -99.200 -91.000 TRP 66 1.040 -7.175 -13.662 -22.826 -99.200 -91.000 TRP6 66 1.020 -5.651 -15.312 -22.091 -99.200 -91.000 PHE 73 1.000 -3.991 -1.221 -28.989 -99.200 -91.000 PHE 77 1.000 -7.486 2.505 -33.352 -99.200 -91.000 TYR 86 0.840 -4.914 -5.069 -24.872 -99.200 -91.000 TYR 97 0.840 -15.634 -15.842 -22.953 -99.200 -91.000 PHE 104 1.000 -2.382 -18.667 -22.680 -99.200 -91.000 TRP 134 1.040 0.738 4.220 -29.406 -99.200 -91.000 TRP6 134 1.020 -0.264 4.861 -31.390 -99.200 -91.000 HIS 147 0.900 9.833 -5.701 -20.224 -99.200 -91.000 PHE 150 1.000 5.755 -9.595 -21.927 -99.200 -91.000 TRP 152 1.040 -1.245 -9.673 -22.678 -99.200 -91.000 TRP6 152 1.020 0.418 -10.902 -23.830 -99.200 -91.000 HIS 157 0.900 -3.429 -11.173 -9.244 -99.200 -91.000 TYR 158 0.840 -8.060 -7.836 -10.272 -99.200 -91.000 PHE 161 1.000 -2.254 -15.512 -8.679 -99.200 -91.000 PHE 178 1.000 -13.331 -6.385 -6.683 -99.200 -91.000 PHE 179 1.000 -15.806 -5.422 -15.041 -99.200 -91.000