============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 6 0.900 32.456 18.021 30.620 -99.200 -91.000 PHE 11 1.000 33.045 20.967 24.872 -99.200 -91.000 TYR 15 0.840 39.263 19.179 24.131 -99.200 -91.000 PHE 46 1.000 26.093 28.882 23.948 -99.200 -91.000 TYR 69 0.840 16.576 27.182 0.542 -99.200 -91.000 TRP 79 1.040 20.335 22.322 11.428 -99.200 -91.000 TRP6 79 1.020 21.639 20.615 10.449 -99.200 -91.000 PHE 99 1.000 23.541 29.152 11.804 -99.200 -91.000 TYR 100 0.840 27.955 29.604 3.692 -99.200 -91.000 PHE 116 1.000 29.390 19.932 1.614 -99.200 -91.000 TRP 134 1.040 26.207 9.690 1.784 -99.200 -91.000 TRP6 134 1.020 26.573 11.994 1.488 -99.200 -91.000 PHE 152 1.000 34.039 19.015 0.631 -99.200 -91.000 PHE 162 1.000 34.142 23.478 3.264 -99.200 -91.000 TYR 172 0.840 31.148 -2.977 12.350 -99.200 -91.000 TYR 179 0.840 21.437 -1.492 12.353 -99.200 -91.000 TYR 185 0.840 37.108 -3.672 10.381 -99.200 -91.000 TRP 189 1.040 31.675 12.682 0.196 -99.200 -91.000 TRP6 189 1.020 33.903 12.992 -0.488 -99.200 -91.000 TYR 205 0.840 36.527 8.838 31.176 -99.200 -91.000 TYR 212 0.840 42.584 15.911 28.454 -99.200 -91.000 TRP 218 1.040 31.188 7.903 21.129 -99.200 -91.000 TRP6 218 1.020 30.238 8.553 19.064 -99.200 -91.000 TRP 229 1.040 24.312 4.972 18.642 -99.200 -91.000 TRP6 229 1.020 23.965 6.906 17.343 -99.200 -91.000 TYR 235 0.840 41.811 1.183 4.510 -99.200 -91.000 TYR 238 0.840 35.328 4.529 -3.500 -99.200 -91.000 TRP 244 1.040 48.599 15.686 4.714 -99.200 -91.000 TRP6 244 1.020 47.843 16.780 2.790 -99.200 -91.000 PHE 262 1.000 39.603 18.752 19.176 -99.200 -91.000 TYR 273 0.840 20.236 26.466 26.949 -99.200 -91.000 TYR 275 0.840 12.187 22.674 17.859 -99.200 -91.000 PHE 291 1.000 40.105 21.623 13.704 -99.200 -91.000 TRP 295 1.040 41.756 25.970 11.896 -99.200 -91.000 TRP6 295 1.020 44.083 25.941 12.186 -99.200 -91.000 PHE 308 1.000 43.041 21.197 4.201 -99.200 -91.000 PHE 313 1.000 45.852 20.510 12.518 -99.200 -91.000 TYR 314 0.840 48.179 13.644 9.286 -99.200 -91.000 HIS 325 0.900 45.413 16.616 26.194 -99.200 -91.000 TYR 334 0.840 28.749 -5.518 19.595 -99.200 -91.000 TYR 337 0.840 34.833 -9.465 14.088 -99.200 -91.000 TYR 339 0.840 40.719 0.037 11.335 -99.200 -91.000 TRP 345 1.040 46.715 9.268 12.363 -99.200 -91.000 TRP6 345 1.020 45.580 7.410 11.462 -99.200 -91.000 TYR 347 0.840 43.917 2.826 10.294 -99.200 -91.000 TRP 351 1.040 48.376 13.263 13.814 -99.200 -91.000 TRP6 351 1.020 50.349 11.999 14.166 -99.200 -91.000 TYR 362 0.840 55.147 23.354 15.741 -99.200 -91.000 PHE 368 1.000 50.068 24.061 12.212 -99.200 -91.000