============================================================================= 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. TYR 2 0.840 -17.346 -13.303 -11.964 -99.200 -91.000 PHE 10 1.000 -12.684 -9.738 -8.619 -99.200 -91.000 TYR 12 0.840 -8.600 -3.832 -14.190 -99.200 -91.000 TYR 19 0.840 2.612 -9.671 -18.835 -99.200 -91.000 TYR 39 0.840 13.484 -8.585 -16.534 -99.200 -91.000 PHE 41 1.000 19.622 -4.647 -14.549 -99.200 -91.000 TYR 42 0.840 18.918 -5.271 -22.643 -99.200 -91.000 PHE 49 1.000 7.717 1.333 -16.104 -99.200 -91.000 PHE 62 1.000 13.445 -4.828 -11.191 -99.200 -91.000 PHE 70 1.000 11.927 0.597 -13.660 -99.200 -91.000 PHE 83 1.000 18.389 -7.341 -2.724 -99.200 -91.000 TRP 91 1.040 39.388 -9.629 -6.741 -99.200 -91.000 TRP6 91 1.020 40.203 -11.020 -5.017 -99.200 -91.000 TRP 96 1.040 35.596 -1.964 9.086 -99.200 -91.000 TRP6 96 1.020 34.910 -1.580 6.855 -99.200 -91.000 TRP 102 1.040 38.320 5.150 10.249 -99.200 -91.000 TRP6 102 1.020 37.187 4.490 8.301 -99.200 -91.000 TYR 121 0.840 36.154 1.485 -0.066 -99.200 -91.000 TYR 128 0.840 44.678 4.498 -7.348 -99.200 -91.000 PHE 131 1.000 42.775 3.781 2.710 -99.200 -91.000 HIS 162 0.900 7.844 5.584 -0.504 -99.200 -91.000 PHE 171 1.000 18.525 1.870 -5.242 -99.200 -91.000 PHE 173 1.000 15.381 8.868 -7.721 -99.200 -91.000 HIS 177 0.900 13.116 18.690 -12.976 -99.200 -91.000 PHE 178 1.000 8.644 19.629 -8.371 -99.200 -91.000 PHE 197 1.000 17.075 12.573 -5.779 -99.200 -91.000 TRP 204 1.040 19.902 25.316 -12.463 -99.200 -91.000 TRP6 204 1.020 21.666 25.154 -10.904 -99.200 -91.000 TYR 209 0.840 12.257 17.241 -0.371 -99.200 -91.000 TYR 217 0.840 29.420 -2.270 4.177 -99.200 -91.000 PHE 225 1.000 20.380 16.036 -3.222 -99.200 -91.000 PHE 232 1.000 14.061 33.218 -3.350 -99.200 -91.000 PHE 241 1.000 21.044 8.731 3.626 -99.200 -91.000 TYR 244 0.840 28.997 1.001 8.574 -99.200 -91.000 TRP 254 1.040 28.882 15.213 -7.109 -99.200 -91.000 TRP6 254 1.020 30.212 14.346 -8.855 -99.200 -91.000 TYR 266 0.840 23.445 28.160 -6.136 -99.200 -91.000 PHE 270 1.000 22.204 19.338 2.031 -99.200 -91.000 TYR 277 0.840 32.240 4.242 12.747 -99.200 -91.000 TRP 280 1.040 37.866 10.177 0.515 -99.200 -91.000 TRP6 280 1.020 39.450 11.816 -0.131 -99.200 -91.000 PHE 283 1.000 25.580 15.380 7.232 -99.200 -91.000 TYR 301 0.840 24.401 33.301 -8.983 -99.200 -91.000 TYR 306 0.840 27.118 35.898 -5.728 -99.200 -91.000 HIS 309 0.900 36.313 27.624 -1.824 -99.200 -91.000 HIS 315 0.900 22.881 24.059 0.020 -99.200 -91.000 PHE 330 1.000 28.755 20.955 8.587 -99.200 -91.000 TYR 338 0.840 22.122 33.389 9.643 -99.200 -91.000 TYR 353 0.840 38.868 22.565 4.418 -99.200 -91.000 HIS 357 0.900 34.678 32.908 2.408 -99.200 -91.000 PHE 361 1.000 29.843 28.066 10.449 -99.200 -91.000 PHE 374 1.000 46.296 10.047 9.085 -99.200 -91.000 TYR 380 0.840 40.955 26.839 7.574 -99.200 -91.000 PHE 442 1.000 34.186 20.994 42.543 -99.200 -91.000 TYR 444 0.840 43.814 21.825 40.334 -99.200 -91.000 HIS 454 0.900 45.620 33.098 23.321 -99.200 -91.000 TYR 466 0.840 46.921 31.805 40.916 -99.200 -91.000 HIS 468 0.900 47.633 28.051 48.242 -99.200 -91.000 TYR 479 0.840 48.049 32.863 49.550 -99.200 -91.000 HIS 499 0.900 51.724 33.986 52.888 -99.200 -91.000 PHE 509 1.000 60.252 46.295 48.539 -99.200 -91.000 PHE 518 1.000 60.616 51.581 36.348 -99.200 -91.000 PHE 525 1.000 51.691 54.900 48.086 -99.200 -91.000 TYR 528 0.840 62.071 54.900 44.833 -99.200 -91.000 TRP 529 1.040 65.842 47.840 49.161 -99.200 -91.000 TRP6 529 1.020 64.944 47.995 51.337 -99.200 -91.000