============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.612 39.891 42.440 -99.200 -91.000 TRP6 12 1.020 -4.566 40.058 44.605 -99.200 -91.000 TYR 20 0.840 1.011 21.080 28.507 -99.200 -91.000 TRP 26 1.040 8.571 25.861 27.379 -99.200 -91.000 TRP6 26 1.020 8.869 24.182 29.025 -99.200 -91.000 HIS 28 0.900 -1.615 29.019 32.769 -99.200 -91.000 TRP 39 1.040 10.622 23.964 48.616 -99.200 -91.000 TRP6 39 1.020 9.990 21.749 48.080 -99.200 -91.000 HIS 45 0.900 -6.758 19.770 39.394 -99.200 -91.000 PHE 53 1.000 3.870 19.273 34.859 -99.200 -91.000 HIS 60 0.900 -0.260 41.687 33.797 -99.200 -91.000 TYR 71 0.840 10.453 32.651 30.800 -99.200 -91.000 HIS 80 0.900 -1.748 14.835 51.748 -99.200 -91.000 TYR 82 0.840 -4.155 9.286 53.586 -99.200 -91.000 TRP 83 1.040 -4.058 13.683 43.503 -99.200 -91.000 TRP6 83 1.020 -6.110 14.857 43.387 -99.200 -91.000 TYR 91 0.840 -6.587 13.819 51.906 -99.200 -91.000 TYR 107 0.840 7.359 43.910 38.224 -99.200 -91.000 TYR 127 0.840 -10.296 41.179 44.746 -99.200 -91.000 TRP 131 1.040 -1.976 34.580 33.054 -99.200 -91.000 TRP6 131 1.020 -0.543 34.119 34.895 -99.200 -91.000 TYR 148 0.840 -15.237 40.988 46.714 -99.200 -91.000 TYR 154 0.840 -18.240 21.475 55.997 -99.200 -91.000 TYR 160 0.840 -25.032 27.531 48.411 -99.200 -91.000 TRP 161 1.040 -19.736 23.031 45.293 -99.200 -91.000 TRP6 161 1.020 -19.209 21.762 43.364 -99.200 -91.000 HIS 190 0.900 -3.874 36.109 45.712 -99.200 -91.000 TYR 197 0.840 -6.117 41.277 49.642 -99.200 -91.000 HIS 200 0.900 -6.826 32.718 54.512 -99.200 -91.000 PHE 205 1.000 -14.356 20.310 43.858 -99.200 -91.000 PHE 220 1.000 -10.865 28.833 45.471 -99.200 -91.000 TYR 226 0.840 -4.254 19.775 52.887 -99.200 -91.000 TRP 229 1.040 1.839 17.073 52.996 -99.200 -91.000 TRP6 229 1.020 1.903 18.343 50.992 -99.200 -91.000