============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.646 6.307 18.484 -99.200 -91.000 TRP6 14 1.020 7.327 8.192 19.151 -99.200 -91.000 PHE 19 1.000 12.994 -5.625 3.300 -99.200 -91.000 TRP 37 1.040 23.015 10.315 14.352 -99.200 -91.000 TRP6 37 1.020 24.881 8.889 14.105 -99.200 -91.000 HIS 43 0.900 19.364 -9.374 19.322 -99.200 -91.000 TYR 47 0.840 23.853 -14.460 18.979 -99.200 -91.000 TRP 49 1.040 21.916 -18.062 16.403 -99.200 -91.000 TRP6 49 1.020 20.037 -16.781 16.990 -99.200 -91.000 PHE 53 1.000 22.613 -9.600 8.297 -99.200 -91.000 HIS 65 0.900 -0.700 0.422 10.477 -99.200 -91.000 TYR 70 0.840 7.134 1.578 -2.001 -99.200 -91.000 TYR 84 0.840 29.577 4.961 13.781 -99.200 -91.000 HIS 86 0.900 29.125 -0.209 24.527 -99.200 -91.000 TYR 89 0.840 26.490 -7.544 20.959 -99.200 -91.000 TRP 91 1.040 30.022 -11.349 20.232 -99.200 -91.000 TRP6 91 1.020 30.884 -13.543 19.873 -99.200 -91.000 PHE 110 1.000 12.498 14.477 11.484 -99.200 -91.000 TYR 113 0.840 1.295 9.168 7.524 -99.200 -91.000 HIS 115 0.900 8.078 14.515 15.306 -99.200 -91.000 TYR 132 0.840 5.861 4.688 37.905 -99.200 -91.000 TRP 139 1.040 5.767 -4.064 11.238 -99.200 -91.000 TRP6 139 1.020 7.262 -2.242 11.368 -99.200 -91.000 TRP 146 1.040 4.562 -20.397 12.780 -99.200 -91.000 TRP6 146 1.020 6.330 -19.070 13.592 -99.200 -91.000 PHE 178 1.000 13.813 -1.527 30.808 -99.200 -91.000 TYR 182 0.840 0.366 -6.894 32.305 -99.200 -91.000 PHE 201 1.000 9.298 -0.569 28.481 -99.200 -91.000 PHE 207 1.000 7.145 14.405 35.763 -99.200 -91.000 TRP 211 1.040 4.415 9.299 23.234 -99.200 -91.000 TRP6 211 1.020 3.588 7.317 24.251 -99.200 -91.000 TYR 212 0.840 11.551 12.202 27.488 -99.200 -91.000 TRP 219 1.040 18.407 -10.805 27.316 -99.200 -91.000 TRP6 219 1.020 17.791 -12.421 28.956 -99.200 -91.000 TYR 229 0.840 8.608 -11.633 34.749 -99.200 -91.000 PHE 231 1.000 15.508 -10.283 31.556 -99.200 -91.000 TYR 232 0.840 11.868 -4.748 26.968 -99.200 -91.000 HIS 234 0.900 18.640 1.539 32.437 -99.200 -91.000 PHE 236 1.000 20.327 8.498 32.388 -99.200 -91.000 TRP 241 1.040 29.006 3.698 22.546 -99.200 -91.000 TRP6 241 1.020 27.315 3.027 21.030 -99.200 -91.000 PHE 249 1.000 32.613 8.276 15.270 -99.200 -91.000