============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 15 0.840 25.958 26.719 90.681 -99.200 -91.000 TYR 20 0.840 32.435 25.666 83.467 -99.200 -91.000 TYR 21 0.840 24.818 22.822 84.884 -99.200 -91.000 PHE 33 1.000 16.592 13.448 82.191 -99.200 -91.000 PHE 37 1.000 27.566 16.981 77.372 -99.200 -91.000 TRP 45 1.040 25.190 8.815 86.253 -99.200 -91.000 TRP6 45 1.020 23.908 10.177 87.715 -99.200 -91.000 TYR 55 0.840 18.813 6.583 97.822 -99.200 -91.000 TYR 60 0.840 15.433 19.232 97.013 -99.200 -91.000 HIS 61 0.900 19.696 16.601 91.377 -99.200 -91.000 PHE 64 1.000 14.040 7.557 80.587 -99.200 -91.000 TYR 72 0.840 12.532 1.495 79.150 -99.200 -91.000 HIS 74 0.900 13.570 -4.267 81.752 -99.200 -91.000 TYR 83 0.840 30.811 9.096 88.862 -99.200 -91.000 PHE 91 1.000 16.344 0.660 86.241 -99.200 -91.000 PHE 108 1.000 19.000 5.960 79.622 -99.200 -91.000 PHE 119 1.000 26.059 12.381 92.835 -99.200 -91.000 PHE 124 1.000 26.432 17.410 88.046 -99.200 -91.000 PHE 132 1.000 40.267 6.628 75.347 -99.200 -91.000 PHE 144 1.000 33.411 11.272 70.006 -99.200 -91.000 PHE 158 1.000 35.615 13.967 73.702 -99.200 -91.000 PHE 160 1.000 34.288 18.616 77.232 -99.200 -91.000 TYR 161 0.840 34.904 29.088 75.622 -99.200 -91.000 TYR 162 0.840 34.301 23.070 81.144 -99.200 -91.000 HIS 182 0.900 33.993 30.214 72.000 -99.200 -91.000 TYR 183 0.840 41.096 26.601 68.369 -99.200 -91.000 PHE 187 1.000 43.187 22.666 69.391 -99.200 -91.000 HIS 188 0.900 53.057 20.661 71.631 -99.200 -91.000 TYR 189 0.840 46.779 18.087 68.703 -99.200 -91.000 TRP 198 1.040 39.597 11.045 77.499 -99.200 -91.000 TRP6 198 1.020 40.505 11.202 75.315 -99.200 -91.000 TYR 228 0.840 37.645 23.609 92.842 -99.200 -91.000 PHE 250 1.000 34.609 23.776 106.726 -99.200 -91.000 TYR 252 0.840 45.745 24.416 101.416 -99.200 -91.000 PHE 267 1.000 49.590 23.047 86.346 -99.200 -91.000 HIS 268 0.900 58.061 20.705 80.331 -99.200 -91.000 TYR 274 0.840 50.210 23.427 77.622 -99.200 -91.000 TYR 281 0.840 47.469 30.691 91.117 -99.200 -91.000 PHE 283 1.000 37.351 30.154 92.540 -99.200 -91.000 TYR 287 0.840 42.824 43.116 92.195 -99.200 -91.000 HIS 296 0.900 39.546 23.592 96.230 -99.200 -91.000 TRP 308 1.040 49.969 16.615 90.012 -99.200 -91.000 TRP6 308 1.020 49.965 18.796 90.931 -99.200 -91.000 PHE 314 1.000 45.916 22.903 81.845 -99.200 -91.000 PHE 318 1.000 46.842 26.892 78.770 -99.200 -91.000 TYR 319 0.840 38.383 24.911 72.130 -99.200 -91.000 PHE 322 1.000 39.425 15.975 76.506 -99.200 -91.000 PHE 331 1.000 45.750 20.594 77.286 -99.200 -91.000