============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 9 1.000 21.149 28.347 37.599 -99.200 -91.000 TYR 15 0.840 21.941 24.938 27.898 -99.200 -91.000 PHE 22 1.000 7.850 13.374 35.702 -99.200 -91.000 TYR 35 0.840 -1.647 20.455 32.641 -99.200 -91.000 PHE 41 1.000 5.538 4.658 30.941 -99.200 -91.000 TYR 44 0.840 9.545 -2.066 35.049 -99.200 -91.000 TYR 48 0.840 0.944 6.456 32.113 -99.200 -91.000 TYR 57 0.840 15.266 11.618 19.591 -99.200 -91.000 TYR 58 0.840 19.135 16.056 14.248 -99.200 -91.000 TRP 66 1.040 24.312 17.430 20.799 -99.200 -91.000 TRP6 66 1.020 25.497 15.503 21.494 -99.200 -91.000 TRP 81 1.040 20.151 20.950 13.234 -99.200 -91.000 TRP6 81 1.020 20.236 23.270 13.704 -99.200 -91.000 HIS 85 0.900 10.197 22.733 29.018 -99.200 -91.000 TRP 89 1.040 10.877 15.806 29.655 -99.200 -91.000 TRP6 89 1.020 13.058 14.962 30.020 -99.200 -91.000 PHE 91 1.000 7.384 9.278 37.940 -99.200 -91.000 PHE 92 1.000 11.796 3.340 33.947 -99.200 -91.000 HIS 117 0.900 9.215 8.314 10.679 -99.200 -91.000 PHE 120 1.000 14.928 4.977 23.939 -99.200 -91.000 PHE 123 1.000 18.681 12.099 29.806 -99.200 -91.000 TRP 124 1.040 20.325 5.676 37.882 -99.200 -91.000 TRP6 124 1.020 22.529 5.733 38.762 -99.200 -91.000 PHE 132 1.000 12.955 22.845 46.176 -99.200 -91.000 TRP 133 1.040 20.021 23.135 42.848 -99.200 -91.000 TRP6 133 1.020 21.490 21.283 42.789 -99.200 -91.000 HIS 156 0.900 13.501 26.230 28.901 -99.200 -91.000 HIS 161 0.900 25.118 8.191 21.610 -99.200 -91.000 TRP 164 1.040 22.246 18.098 29.215 -99.200 -91.000 TRP6 164 1.020 19.907 18.456 29.135 -99.200 -91.000 HIS 175 0.900 23.341 16.836 43.885 -99.200 -91.000 TYR 186 0.840 27.539 6.322 38.896 -99.200 -91.000 TYR 193 0.840 20.439 18.760 37.796 -99.200 -91.000 TYR 196 0.840 25.706 10.150 36.091 -99.200 -91.000 TYR 197 0.840 22.872 7.423 26.152 -99.200 -91.000 TYR 202 0.840 16.755 7.868 14.462 -99.200 -91.000 TYR 207 0.840 5.001 7.198 8.490 -99.200 -91.000 HIS 216 0.900 25.278 14.719 12.395 -99.200 -91.000 PHE 220 1.000 22.020 11.897 17.538 -99.200 -91.000 PHE 233 1.000 11.169 3.743 20.290 -99.200 -91.000 TYR 244 0.840 12.799 9.881 39.484 -99.200 -91.000 TYR 245 0.840 16.721 3.754 35.446 -99.200 -91.000 TYR 248 0.840 13.048 14.611 24.828 -99.200 -91.000 TRP 258 1.040 16.339 17.968 6.470 -99.200 -91.000 TRP6 258 1.020 17.740 18.920 8.130 -99.200 -91.000 TRP 273 1.040 2.320 17.118 11.035 -99.200 -91.000 TRP6 273 1.020 3.480 15.913 12.706 -99.200 -91.000 TRP 281 1.040 -2.701 13.542 20.283 -99.200 -91.000 TRP6 281 1.020 -2.990 13.562 22.636 -99.200 -91.000