============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 8 0.840 10.219 20.818 66.666 -99.200 -91.000 TYR 10 0.840 12.624 10.825 65.283 -99.200 -91.000 TRP 11 1.040 8.390 4.760 66.779 -99.200 -91.000 TRP6 11 1.020 7.964 4.190 64.527 -99.200 -91.000 TYR 16 0.840 7.432 3.204 56.733 -99.200 -91.000 TRP 23 1.040 6.169 23.740 60.499 -99.200 -91.000 TRP6 23 1.020 5.999 25.922 59.620 -99.200 -91.000 TRP 32 1.040 0.685 20.446 72.912 -99.200 -91.000 TRP6 32 1.020 2.464 21.963 72.598 -99.200 -91.000 TYR 36 0.840 -2.444 10.485 70.515 -99.200 -91.000 TRP 47 1.040 0.580 8.616 60.637 -99.200 -91.000 TRP6 47 1.020 0.513 10.961 60.905 -99.200 -91.000 TRP 51 1.040 -5.318 19.235 64.234 -99.200 -91.000 TRP6 51 1.020 -6.194 21.265 63.407 -99.200 -91.000 TRP 53 1.040 -2.597 23.866 66.276 -99.200 -91.000 TRP6 53 1.020 -1.031 24.259 68.004 -99.200 -91.000 TYR 63 0.840 3.689 17.929 56.627 -99.200 -91.000 TYR 65 0.840 7.822 14.744 59.410 -99.200 -91.000 TRP 88 1.040 -6.196 11.118 53.836 -99.200 -91.000 TRP6 88 1.020 -7.757 12.847 54.195 -99.200 -91.000 TYR 90 0.840 -7.957 16.397 59.502 -99.200 -91.000 TYR 101 0.840 2.037 11.069 49.861 -99.200 -91.000 PHE 104 1.000 10.993 20.493 52.779 -99.200 -91.000 HIS 111 0.900 18.519 22.417 52.994 -99.200 -91.000 TRP 114 1.040 16.100 23.420 58.615 -99.200 -91.000 TRP6 114 1.020 16.579 24.829 56.778 -99.200 -91.000 TYR 118 0.840 14.157 23.321 42.594 -99.200 -91.000 TRP 123 1.040 -1.192 20.951 49.266 -99.200 -91.000 TRP6 123 1.020 -2.307 22.792 50.231 -99.200 -91.000 TYR 127 0.840 -10.656 18.834 54.821 -99.200 -91.000 TYR 131 0.840 -6.432 31.054 48.715 -99.200 -91.000 PHE 136 1.000 -4.349 26.960 37.513 -99.200 -91.000 HIS 137 0.900 2.792 26.537 35.520 -99.200 -91.000 TRP 147 1.040 -2.824 15.482 40.405 -99.200 -91.000 TRP6 147 1.020 -3.216 14.994 42.682 -99.200 -91.000 TRP 150 1.040 -2.717 26.309 43.249 -99.200 -91.000 TRP6 150 1.020 -3.479 28.382 44.086 -99.200 -91.000 TYR 153 0.840 10.877 31.139 43.647 -99.200 -91.000 TYR 160 0.840 7.873 23.417 40.686 -99.200 -91.000 PHE 162 1.000 2.370 18.390 40.981 -99.200 -91.000 PHE 172 1.000 -2.516 10.173 45.599 -99.200 -91.000 PHE 179 1.000 2.098 13.543 41.397 -99.200 -91.000 PHE 180 1.000 10.673 14.899 42.906 -99.200 -91.000 TYR 182 0.840 3.898 18.520 35.090 -99.200 -91.000 HIS 187 0.900 6.239 23.301 35.598 -99.200 -91.000 TYR 189 0.840 13.285 18.914 40.529 -99.200 -91.000 TYR 199 0.840 8.898 8.659 49.708 -99.200 -91.000 PHE 206 1.000 -2.641 26.538 56.962 -99.200 -91.000 PHE 213 1.000 -4.049 12.547 58.824 -99.200 -91.000 PHE 218 1.000 3.613 6.939 54.418 -99.200 -91.000 TRP 223 1.040 11.811 -0.339 44.959 -99.200 -91.000 TRP6 223 1.020 9.701 -0.595 43.933 -99.200 -91.000