============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 -16.523 38.273 -5.674 -99.200 -91.000 PHE 11 1.000 -26.835 56.644 -6.143 -99.200 -91.000 TYR 15 0.840 -23.922 53.644 -11.188 -99.200 -91.000 HIS 17 0.900 -26.805 44.304 -6.179 -99.200 -91.000 PHE 31 1.000 -39.086 33.738 -10.276 -99.200 -91.000 TRP 62 1.040 -34.875 49.807 8.448 -99.200 -91.000 TRP6 62 1.020 -37.084 49.197 7.836 -99.200 -91.000 TYR 65 0.840 -29.955 48.427 5.666 -99.200 -91.000 TYR 66 0.840 -35.828 54.864 -0.924 -99.200 -91.000 PHE 92 1.000 -46.147 43.703 -4.410 -99.200 -91.000 TYR 94 0.840 -45.344 34.768 2.773 -99.200 -91.000 TYR 105 0.840 -23.727 26.624 15.066 -99.200 -91.000 TRP 118 1.040 -32.474 29.846 -2.123 -99.200 -91.000 TRP6 118 1.020 -33.976 30.875 -0.630 -99.200 -91.000 PHE 120 1.000 -38.411 30.986 -4.842 -99.200 -91.000 PHE 121 1.000 -41.636 28.734 -7.775 -99.200 -91.000 PHE 143 1.000 -25.431 40.058 0.180 -99.200 -91.000 PHE 155 1.000 -17.903 33.930 5.196 -99.200 -91.000 TYR 164 0.840 -35.440 33.761 3.973 -99.200 -91.000 HIS 168 0.900 -47.666 32.071 4.135 -99.200 -91.000 HIS 180 0.900 -35.194 38.648 1.198 -99.200 -91.000 TYR 196 0.840 -32.753 38.008 20.253 -99.200 -91.000 PHE 210 1.000 -34.681 29.150 11.297 -99.200 -91.000 HIS 217 0.900 -18.939 31.320 22.703 -99.200 -91.000 PHE 220 1.000 -29.819 34.728 16.932 -99.200 -91.000 PHE 224 1.000 -38.727 36.545 10.844 -99.200 -91.000 HIS 242 0.900 -36.846 26.233 11.162 -99.200 -91.000 HIS 245 0.900 -41.611 21.394 10.219 -99.200 -91.000 HIS 250 0.900 -43.854 30.656 16.681 -99.200 -91.000 TRP 264 1.040 -43.954 18.342 10.305 -99.200 -91.000 TRP6 264 1.020 -45.172 19.892 9.000 -99.200 -91.000 HIS 267 0.900 -36.573 18.879 12.505 -99.200 -91.000 PHE 272 1.000 -30.961 7.739 10.128 -99.200 -91.000 PHE 277 1.000 -21.160 15.859 10.986 -99.200 -91.000 PHE 284 1.000 -22.348 20.600 8.190 -99.200 -91.000 TRP 288 1.040 -25.181 20.335 3.822 -99.200 -91.000 TRP6 288 1.020 -27.054 21.240 4.947 -99.200 -91.000 TYR 294 0.840 -35.173 12.618 -7.396 -99.200 -91.000 PHE 296 1.000 -42.344 15.605 -3.306 -99.200 -91.000 TYR 302 0.840 -39.048 21.263 -13.076 -99.200 -91.000 PHE 313 1.000 -27.490 29.555 -2.078 -99.200 -91.000 TYR 317 0.840 -22.329 30.419 6.262 -99.200 -91.000 HIS 319 0.900 -19.542 29.423 11.964 -99.200 -91.000 PHE 338 1.000 -18.563 30.532 -5.314 -99.200 -91.000 PHE 342 1.000 -15.249 37.942 4.932 -99.200 -91.000