============================================================================= 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 27 0.840 34.956 25.807 10.143 -99.200 -91.000 PHE 29 1.000 38.789 24.144 15.848 -99.200 -91.000 TRP 33 1.040 28.160 24.839 19.950 -99.200 -91.000 TRP6 33 1.020 28.611 24.101 22.157 -99.200 -91.000 TRP 36 1.040 34.253 14.692 18.345 -99.200 -91.000 TRP6 36 1.020 35.986 13.782 17.004 -99.200 -91.000 TRP 47 1.040 25.670 13.934 20.415 -99.200 -91.000 TRP6 47 1.020 25.074 14.578 22.600 -99.200 -91.000 TYR 52 0.840 31.546 28.003 20.569 -99.200 -91.000 HIS 59 0.900 26.204 21.138 26.620 -99.200 -91.000 TYR 60 0.840 31.887 14.590 27.100 -99.200 -91.000 PHE 64 1.000 29.422 6.918 22.740 -99.200 -91.000 TYR 80 0.840 43.893 16.823 19.113 -99.200 -91.000 TRP 83 1.040 37.894 5.622 23.306 -99.200 -91.000 TRP6 83 1.020 38.019 6.721 21.221 -99.200 -91.000 TYR 93 0.840 34.543 5.899 17.531 -99.200 -91.000 PHE 94 1.000 31.184 9.019 9.777 -99.200 -91.000 TYR 99 0.840 26.585 27.427 8.180 -99.200 -91.000 PHE 101 1.000 22.033 25.876 7.905 -99.200 -91.000 PHE 109 1.000 25.750 18.280 14.736 -99.200 -91.000 TRP 112 1.040 28.240 15.416 8.602 -99.200 -91.000 TRP6 112 1.020 27.676 13.899 10.338 -99.200 -91.000 PHE 131 1.000 41.010 -26.056 4.782 -99.200 -91.000 TYR 147 0.840 41.220 -13.520 5.280 -99.200 -91.000 PHE 148 1.000 43.228 -9.073 12.575 -99.200 -91.000 TRP 156 1.040 38.918 -18.626 -9.383 -99.200 -91.000 TRP6 156 1.020 38.848 -20.867 -8.627 -99.200 -91.000 HIS 166 0.900 30.232 -12.696 -5.718 -99.200 -91.000 PHE 168 1.000 29.828 -15.397 -2.464 -99.200 -91.000 TYR 178 0.840 38.688 -9.809 9.005 -99.200 -91.000 TYR 192 0.840 37.684 -24.799 -14.307 -99.200 -91.000 HIS 198 0.900 46.565 -12.492 4.938 -99.200 -91.000