============================================================================= 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 13 0.840 59.443 -4.895 49.755 -99.200 -91.000 TRP 16 1.040 66.000 -1.976 49.151 -99.200 -91.000 TRP6 16 1.020 64.677 -2.563 47.268 -99.200 -91.000 PHE 31 1.000 60.956 5.901 45.619 -99.200 -91.000 TYR 36 0.840 69.058 -11.760 46.696 -99.200 -91.000 PHE 38 1.000 69.057 -16.660 42.751 -99.200 -91.000 TYR 45 0.840 64.214 -23.920 37.103 -99.200 -91.000 PHE 48 1.000 64.536 -11.927 45.126 -99.200 -91.000 TYR 71 0.840 51.695 8.567 46.255 -99.200 -91.000 TRP 75 1.040 57.383 -4.936 39.340 -99.200 -91.000 TRP6 75 1.020 58.879 -5.612 41.062 -99.200 -91.000 TYR 79 0.840 63.174 -13.818 34.255 -99.200 -91.000 TYR 104 0.840 38.819 26.492 43.069 -99.200 -91.000 PHE 109 1.000 42.619 29.013 42.790 -99.200 -91.000 PHE 125 1.000 46.530 16.422 43.018 -99.200 -91.000 PHE 139 1.000 49.669 35.921 43.548 -99.200 -91.000 HIS 151 0.900 56.259 22.596 40.110 -99.200 -91.000 PHE 170 1.000 57.903 12.952 58.165 -99.200 -91.000 PHE 200 1.000 83.418 26.447 39.735 -99.200 -91.000 TRP 202 1.040 82.945 34.116 32.434 -99.200 -91.000 TRP6 202 1.020 84.122 36.053 31.759 -99.200 -91.000 PHE 206 1.000 75.006 35.675 26.854 -99.200 -91.000 PHE 209 1.000 72.072 38.539 31.119 -99.200 -91.000 TYR 226 0.840 79.790 44.365 22.625 -99.200 -91.000 TRP 247 1.040 64.226 34.961 35.761 -99.200 -91.000 TRP6 247 1.020 63.279 33.569 37.431 -99.200 -91.000 TYR 260 0.840 82.755 20.894 47.659 -99.200 -91.000 TRP 265 1.040 73.029 8.077 52.711 -99.200 -91.000 TRP6 265 1.020 70.873 7.167 52.355 -99.200 -91.000 TRP 274 1.040 75.586 15.504 54.685 -99.200 -91.000 TRP6 274 1.020 76.850 17.485 54.975 -99.200 -91.000 PHE 298 1.000 70.534 12.244 51.712 -99.200 -91.000