============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. PHE 2 1.000 9.672 -33.006 -20.143 -99.200 -91.000 TYR 8 0.840 15.345 -27.796 -16.660 -99.200 -91.000 PHE 9 1.000 17.914 -34.908 -11.128 -99.200 -91.000 TRP 22 1.040 18.497 -19.573 4.894 -99.200 -91.000 TRP6 22 1.020 17.835 -17.668 6.099 -99.200 -91.000 PHE 23 1.000 19.618 -28.353 10.719 -99.200 -91.000 HIS 24 0.900 25.070 -26.331 8.729 -99.200 -91.000 PHE 29 1.000 21.167 -14.394 14.465 -99.200 -91.000 TRP 47 1.040 16.462 -35.925 -5.168 -99.200 -91.000 TRP6 47 1.020 15.582 -37.672 -3.868 -99.200 -91.000 PHE 50 1.000 13.377 -31.196 -11.554 -99.200 -91.000 TYR 54 0.840 18.390 -39.296 -15.512 -99.200 -91.000 TYR 56 0.840 8.061 -41.184 -19.184 -99.200 -91.000 TYR 60 0.840 8.369 -45.823 -20.797 -99.200 -91.000 TYR 61 0.840 11.889 -39.784 -23.987 -99.200 -91.000 PHE 62 1.000 19.929 -47.307 -21.225 -99.200 -91.000 TYR 69 0.840 28.195 -43.922 -18.545 -99.200 -91.000 HIS 70 0.900 29.008 -44.958 -23.397 -99.200 -91.000 PHE 75 1.000 32.071 -37.324 -17.551 -99.200 -91.000 PHE 77 1.000 26.093 -30.554 -17.538 -99.200 -91.000 TYR 93 0.840 21.296 -37.151 10.866 -99.200 -91.000 TRP 95 1.040 11.876 -32.862 9.693 -99.200 -91.000 TRP6 95 1.020 12.175 -31.875 7.568 -99.200 -91.000 TRP 105 1.040 25.936 -45.331 4.219 -99.200 -91.000 TRP6 105 1.020 28.291 -45.261 4.036 -99.200 -91.000 PHE 114 1.000 28.730 -40.510 -13.676 -99.200 -91.000 TRP 123 1.040 42.791 -40.359 -16.166 -99.200 -91.000 TRP6 123 1.020 43.729 -41.315 -14.251 -99.200 -91.000 PHE 128 1.000 38.659 -33.968 -21.687 -99.200 -91.000 HIS 134 0.900 32.476 -27.549 -22.232 -99.200 -91.000 PHE 137 1.000 37.048 -33.740 -15.164 -99.200 -91.000 TYR 138 0.840 35.957 -27.000 -11.502 -99.200 -91.000 PHE 146 1.000 35.671 -30.457 -2.266 -99.200 -91.000 TYR 157 0.840 29.801 -44.064 9.146 -99.200 -91.000 HIS 158 0.900 33.152 -36.209 12.310 -99.200 -91.000 TYR 162 0.840 39.240 -34.662 8.191 -99.200 -91.000 PHE 164 1.000 33.967 -40.982 -0.239 -99.200 -91.000 PHE 165 1.000 38.418 -31.304 2.514 -99.200 -91.000 TRP 172 1.040 39.503 -26.582 -6.948 -99.200 -91.000 TRP6 172 1.020 39.818 -25.533 -4.869 -99.200 -91.000 PHE 175 1.000 38.892 -29.857 -15.157 -99.200 -91.000 HIS 182 0.900 39.369 -25.173 -23.550 -99.200 -91.000 PHE 192 1.000 28.609 -25.885 -24.933 -99.200 -91.000 PHE 204 1.000 32.973 -18.949 -1.752 -99.200 -91.000 TYR 210 0.840 39.229 -28.037 6.967 -99.200 -91.000 HIS 215 0.900 33.898 -32.477 15.195 -99.200 -91.000 TRP 226 1.040 34.764 -18.071 3.189 -99.200 -91.000 TRP6 226 1.020 33.988 -16.346 4.585 -99.200 -91.000 TYR 228 0.840 41.492 -19.792 -6.376 -99.200 -91.000 PHE 230 1.000 34.376 -14.093 0.207 -99.200 -91.000 PHE 234 1.000 35.777 -9.773 -4.591 -99.200 -91.000 PHE 235 1.000 40.028 -13.069 -10.907 -99.200 -91.000 PHE 240 1.000 25.401 -12.490 -14.385 -99.200 -91.000 TRP 242 1.040 32.378 -13.536 -22.552 -99.200 -91.000 TRP6 242 1.020 32.844