============================================================================= 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. PHE 3 1.000 21.371 -23.827 13.032 -99.200 -91.000 HIS 17 0.900 42.542 -15.591 1.398 -99.200 -91.000 PHE 28 1.000 39.524 -8.158 18.463 -99.200 -91.000 PHE 32 1.000 38.109 -10.881 8.663 -99.200 -91.000 HIS 35 0.900 37.445 -23.788 4.738 -99.200 -91.000 TRP 41 1.040 13.875 -19.080 10.115 -99.200 -91.000 TRP6 41 1.020 12.438 -17.186 10.156 -99.200 -91.000 TRP 46 1.040 16.594 -22.080 11.922 -99.200 -91.000 TRP6 46 1.020 18.190 -20.335 11.670 -99.200 -91.000 PHE 54 1.000 36.040 -14.406 5.213 -99.200 -91.000 HIS 60 0.900 16.026 -6.741 -2.267 -99.200 -91.000 HIS 67 0.900 17.267 -0.237 4.030 -99.200 -91.000 TYR 68 0.840 13.672 -0.290 8.726 -99.200 -91.000 PHE 73 1.000 28.615 -7.722 18.499 -99.200 -91.000 PHE 79 1.000 41.394 -18.844 25.018 -99.200 -91.000 PHE 89 1.000 36.436 -18.864 29.883 -99.200 -91.000 TRP 92 1.040 28.155 -25.720 26.866 -99.200 -91.000 TRP6 92 1.020 30.283 -25.911 27.917 -99.200 -91.000 PHE 110 1.000 20.695 -19.740 17.754 -99.200 -91.000 TRP 129 1.040 43.378 -20.534 8.685 -99.200 -91.000 TRP6 129 1.020 44.178 -18.430 7.897 -99.200 -91.000 TYR 139 0.840 36.255 -11.923 18.679 -99.200 -91.000 PHE 162 1.000 27.549 -13.095 8.832 -99.200 -91.000 TYR 171 0.840 43.747 -5.661 25.093 -99.200 -91.000 PHE 172 1.000 46.926 -6.520 29.107 -99.200 -91.000 PHE 188 1.000 30.685 12.338 25.474 -99.200 -91.000 TRP 192 1.040 16.935 5.930 30.224 -99.200 -91.000 TRP6 192 1.020 18.086 7.965 30.680 -99.200 -91.000 TYR 199 0.840 18.265 -8.112 25.586 -99.200 -91.000 TYR 205 0.840 28.254 -3.232 20.932 -99.200 -91.000 TRP 225 1.040 30.664 3.543 27.711 -99.200 -91.000 TRP6 225 1.020 29.893 5.186 26.174 -99.200 -91.000 TYR 227 0.840 21.284 4.752 33.441 -99.200 -91.000 HIS 231 0.900 27.695 12.373 37.440 -99.200 -91.000 PHE 242 1.000 34.368 -7.893 37.676 -99.200 -91.000 TYR 244 0.840 40.934 -6.987 45.851 -99.200 -91.000 TRP 245 1.040 35.133 -1.092 46.911 -99.200 -91.000 TRP6 245 1.020 34.108 0.973 46.317 -99.200 -91.000 HIS 247 0.900 30.920 -0.717 50.538 -99.200 -91.000 TRP 279 1.040 40.036 -18.158 44.063 -99.200 -91.000 TRP6 279 1.020 40.682 -16.104 43.057 -99.200 -91.000 PHE 282 1.000 38.503 -11.460 46.929 -99.200 -91.000 PHE 307 1.000 39.600 -6.416 37.980 -99.200 -91.000 HIS 319 0.900 47.387 4.822 33.608 -99.200 -91.000 TYR 323 0.840 33.436 12.663 37.903 -99.200 -91.000 HIS 329 0.900 47.945 7.058 40.881 -99.200 -91.000 PHE 343 1.000 39.579 -12.387 39.403 -99.200 -91.000 TYR 352 0.840 46.452 -19.937 26.130 -99.200 -91.000 HIS 357 0.900 37.021 -24.903 35.757 -99.200 -91.000 TRP 359 1.040 33.976 -22.368 34.200 -99.200 -91.000 TRP6 359 1.020 35.247 -20.649 35.239 -99.200 -91.000 PHE 361 1.000 32.186 -28.047 22.880 -99.200 -91.000