============================================================================= 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. TYR 14 0.840 23.479 26.170 3.152 -99.200 -91.000 PHE 17 1.000 23.184 36.455 -8.254 -99.200 -91.000 TYR 25 0.840 22.300 37.229 -20.230 -99.200 -91.000 PHE 30 1.000 20.255 32.210 -9.360 -99.200 -91.000 TYR 33 0.840 23.727 20.350 -0.237 -99.200 -91.000 PHE 47 1.000 11.653 19.534 -10.770 -99.200 -91.000 TYR 49 0.840 15.842 23.735 -12.417 -99.200 -91.000 TYR 59 0.840 16.943 31.988 4.970 -99.200 -91.000 TRP 69 1.040 3.105 32.733 7.898 -99.200 -91.000 TRP6 69 1.020 4.966 31.692 8.950 -99.200 -91.000 HIS 79 0.900 -0.859 27.426 -4.064 -99.200 -91.000 TYR 92 0.840 4.001 23.933 16.583 -99.200 -91.000 PHE 100 1.000 9.224 23.283 5.666 -99.200 -91.000 PHE 104 1.000 18.056 20.298 1.702 -99.200 -91.000 TYR 113 0.840 32.639 35.693 21.499 -99.200 -91.000 TYR 133 0.840 22.789 37.517 23.663 -99.200 -91.000 PHE 144 1.000 15.079 27.472 20.156 -99.200 -91.000 PHE 145 1.000 17.823 32.011 20.744 -99.200 -91.000 TYR 153 0.840 17.936 27.980 24.839 -99.200 -91.000 TRP 157 1.040 12.197 37.440 21.912 -99.200 -91.000 TRP6 157 1.020 12.993 37.923 19.726 -99.200 -91.000 PHE 159 1.000 21.680 41.647 24.582 -99.200 -91.000 TYR 184 0.840 26.446 40.119 16.810 -99.200 -91.000 PHE 186 1.000 24.619 35.738 12.910 -99.200 -91.000 PHE 195 1.000 31.387 28.105 3.170 -99.200 -91.000 TYR 215 0.840 19.434 24.004 6.487 -99.200 -91.000 TYR 225 0.840 6.022 18.772 -8.654 -99.200 -91.000 HIS 243 0.900 29.985 11.990 2.665 -99.200 -91.000 TRP 249 1.040 28.463 22.746 -3.654 -99.200 -91.000 TRP6 249 1.020 29.092 24.656 -4.880 -99.200 -91.000 TRP 250 1.040 29.543 22.869 4.628 -99.200 -91.000 TRP6 250 1.020 27.662 22.816 3.234 -99.200 -91.000