============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 6 1.040 26.068 26.950 -12.453 -99.200 -91.000 TRP6 6 1.020 26.675 25.188 -10.990 -99.200 -91.000 TRP 8 1.040 27.922 33.359 -7.545 -99.200 -91.000 TRP6 8 1.020 29.970 32.598 -6.631 -99.200 -91.000 TYR 22 0.840 25.720 23.146 14.357 -99.200 -91.000 PHE 23 1.000 21.417 27.226 13.035 -99.200 -91.000 PHE 38 1.000 15.581 33.281 22.521 -99.200 -91.000 TYR 39 0.840 18.719 25.304 20.120 -99.200 -91.000 PHE 50 1.000 16.975 22.889 1.188 -99.200 -91.000 TYR 53 0.840 19.822 31.474 -1.425 -99.200 -91.000 TYR 60 0.840 7.644 27.660 -8.901 -99.200 -91.000 PHE 67 1.000 13.529 46.647 -14.979 -99.200 -91.000 TYR 75 0.840 17.312 34.213 -9.957 -99.200 -91.000 TRP 76 1.040 8.957 34.642 -8.626 -99.200 -91.000 TRP6 76 1.020 8.062 33.270 -6.915 -99.200 -91.000 TYR 79 0.840 11.840 40.846 -3.699 -99.200 -91.000 TRP 82 1.040 15.118 38.145 1.577 -99.200 -91.000 TRP6 82 1.020 15.673 39.774 -0.040 -99.200 -91.000 PHE 84 1.000 5.979 33.457 4.718 -99.200 -91.000 TYR 127 0.840 15.604 52.620 -14.576 -99.200 -91.000 TYR 129 0.840 5.691 55.442 -12.072 -99.200 -91.000 PHE 131 1.000 15.887 53.293 -9.501 -99.200 -91.000 TRP 133 1.040 6.549 50.878 -6.013 -99.200 -91.000 TRP6 133 1.020 4.781 51.031 -4.438 -99.200 -91.000 TRP 134 1.040 16.264 51.097 -2.969 -99.200 -91.000 TRP6 134 1.020 17.134 53.112 -2.075 -99.200 -91.000 TYR 143 0.840 8.921 52.095 13.033 -99.200 -91.000 TYR 146 0.840 13.380 55.567 16.564 -99.200 -91.000 PHE 149 1.000 21.351 50.553 16.565 -99.200 -91.000 PHE 150 1.000 18.004 56.147 18.682 -99.200 -91.000 PHE 152 1.000 13.212 45.230 20.401 -99.200 -91.000 PHE 167 1.000 18.844 43.885 21.405 -99.200 -91.000 TRP 178 1.040 18.568 42.548 8.735 -99.200 -91.000 TRP6 178 1.020 16.238 42.654 9.151 -99.200 -91.000 TYR 181 0.840 19.968 41.392 2.682 -99.200 -91.000 TRP 185 1.040 15.835 45.752 -4.964 -99.200 -91.000 TRP6 185 1.020 15.009 47.616 -6.162 -99.200 -91.000 PHE 204 1.000 20.217 40.857 -2.944 -99.200 -91.000 PHE 215 1.000 20.133 36.904 14.290 -99.200 -91.000 PHE 226 1.000 20.195 27.029 27.341 -99.200 -91.000