============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.321 -6.226 35.317 -99.200 -91.000 TYR 15 0.840 20.747 -8.930 27.268 -99.200 -91.000 PHE 38 1.000 21.438 3.106 19.987 -99.200 -91.000 HIS 45 0.900 35.925 -7.123 21.642 -99.200 -91.000 PHE 47 1.000 35.990 -10.884 25.444 -99.200 -91.000 HIS 49 0.900 27.490 -14.157 21.572 -99.200 -91.000 TYR 51 0.840 30.526 -6.984 12.757 -99.200 -91.000 TYR 52 0.840 24.801 0.198 12.445 -99.200 -91.000 TYR 60 0.840 26.339 5.020 8.343 -99.200 -91.000 TYR 68 0.840 38.258 8.251 24.876 -99.200 -91.000 TYR 71 0.840 30.780 3.965 28.876 -99.200 -91.000 TRP 76 1.040 31.969 3.144 23.672 -99.200 -91.000 TRP6 76 1.020 31.326 4.935 22.262 -99.200 -91.000 HIS 89 0.900 9.721 -8.509 22.246 -99.200 -91.000 PHE 108 1.000 31.137 -0.721 26.106 -99.200 -91.000 PHE 109 1.000 31.659 -4.138 22.552 -99.200 -91.000 TRP 115 1.040 25.924 -6.273 27.620 -99.200 -91.000 TRP6 115 1.020 27.691 -4.757 27.168 -99.200 -91.000 TYR 123 0.840 17.955 14.495 32.006 -99.200 -91.000 PHE 136 1.000 16.189 5.476 21.347 -99.200 -91.000 PHE 137 1.000 12.741 8.408 26.989 -99.200 -91.000 HIS 145 0.900 1.683 11.871 18.502 -99.200 -91.000 PHE 150 1.000 14.197 6.066 31.408 -99.200 -91.000 HIS 168 0.900 -0.373 2.361 38.418 -99.200 -91.000 TYR 171 0.840 3.687 1.074 41.579 -99.200 -91.000 TRP 176 1.040 7.002 7.051 49.601 -99.200 -91.000 TRP6 176 1.020 6.473 8.937 50.912 -99.200 -91.000 TYR 177 0.840 7.018 10.199 41.775 -99.200 -91.000 TRP 184 1.040 24.757 16.488 36.241 -99.200 -91.000 TRP6 184 1.020 27.100 16.629 36.500 -99.200 -91.000 TYR 185 0.840 26.950 11.835 35.490 -99.200 -91.000 TYR 186 0.840 17.956 10.053 34.236 -99.200 -91.000 TYR 207 0.840 25.294 10.723 54.545 -99.200 -91.000 TYR 209 0.840 34.045 14.923 47.837 -99.200 -91.000 PHE 228 1.000 34.204 1.075 50.832 -99.200 -91.000 PHE 244 1.000 32.462 -12.348 56.731 -99.200 -91.000 PHE 248 1.000 32.813 -9.826 51.998 -99.200 -91.000 TRP 249 1.040 35.094 -6.580 55.273 -99.200 -91.000 TRP6 249 1.020 32.747 -6.483 55.526 -99.200 -91.000 TRP 257 1.040 28.838 -18.242 54.833 -99.200 -91.000 TRP6 257 1.020 28.673 -16.108 53.847 -99.200 -91.000 TRP 264 1.040 20.593 -14.918 53.087 -99.200 -91.000 TRP6 264 1.020 21.876 -13.785 51.463 -99.200 -91.000 PHE 267 1.000 27.052 -10.457 55.919 -99.200 -91.000 TYR 273 0.840 16.208 7.644 56.465 -99.200 -91.000 PHE 283 1.000 11.835 8.737 48.559 -99.200 -91.000 TYR 292 0.840 24.585 -5.398 52.328 -99.200 -91.000 TYR 307 0.840 26.162 -15.036 48.533 -99.200 -91.000 PHE 309 1.000 30.796 -4.801 51.187 -99.200 -91.000 PHE 328 1.000 14.201 -0.590 46.531 -99.200 -91.000 TYR 329 0.840 7.741 0.512 37.915 -99.200 -91.000 PHE 332 1.000 15.632 6.111 35.995 -99.200 -91.000 PHE 341 1.000 14.479 5.458 43.906 -99.200 -91.000 HIS 347 0.900 8.874 -8.992 47.218 -99.200 -91.000 HIS 349 0.900