============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 14 0.840 -13.822 15.118 10.759 -99.200 -91.000 TYR 24 0.840 -3.974 28.284 -0.511 -99.200 -91.000 PHE 25 1.000 -4.347 21.556 -2.834 -99.200 -91.000 PHE 28 1.000 -13.248 30.997 -6.300 -99.200 -91.000 TYR 32 0.840 -6.845 33.344 -7.716 -99.200 -91.000 TYR 33 0.840 -3.717 29.340 -7.311 -99.200 -91.000 TRP 40 1.040 1.563 32.127 -22.748 -99.200 -91.000 TRP6 40 1.020 3.854 31.535 -22.862 -99.200 -91.000 PHE 41 1.000 -2.026 39.454 -23.636 -99.200 -91.000 PHE 63 1.000 -9.901 44.701 -18.404 -99.200 -91.000 PHE 71 1.000 -12.117 33.492 -10.569 -99.200 -91.000 PHE 82 1.000 -17.443 32.353 -22.059 -99.200 -91.000 HIS 88 0.900 -8.603 19.938 -24.459 -99.200 -91.000 TYR 95 0.840 -13.902 29.473 -26.311 -99.200 -91.000 TYR 96 0.840 -13.571 35.524 -17.142 -99.200 -91.000 PHE 101 1.000 -6.895 39.946 -23.030 -99.200 -91.000 PHE 113 1.000 0.295 37.433 -30.664 -99.200 -91.000 HIS 115 0.900 -4.269 27.788 -24.202 -99.200 -91.000 PHE 116 1.000 1.899 32.674 -30.294 -99.200 -91.000 TYR 128 0.840 -4.267 20.368 -10.444 -99.200 -91.000 HIS 156 0.900 5.181 18.351 31.276 -99.200 -91.000 HIS 165 0.900 11.826 -5.909 26.513 -99.200 -91.000 PHE 180 1.000 7.257 10.856 19.751 -99.200 -91.000 PHE 200 1.000 3.096 27.985 -20.052 -99.200 -91.000 TYR 207 0.840 10.141 24.794 -25.221 -99.200 -91.000 HIS 210 0.900 5.590 27.128 -27.550 -99.200 -91.000 TYR 214 0.840 6.284 35.262 -32.847 -99.200 -91.000 TRP 219 1.040 9.387 30.338 -28.885 -99.200 -91.000 TRP6 219 1.020 7.748 31.744 -27.901 -99.200 -91.000 HIS 222 0.900 8.505 34.196 -23.237 -99.200 -91.000 PHE 226 1.000 4.604 32.016 -17.587 -99.200 -91.000 PHE 234 1.000 11.689 25.719 -17.988 -99.200 -91.000 TYR 237 0.840 16.096 18.088 -21.100 -99.200 -91.000 HIS 244 0.900 1.882 14.658 -12.850 -99.200 -91.000 TYR 263 0.840 2.984 13.869 20.369 -99.200 -91.000 TRP 268 1.040 -4.985 5.396 23.005 -99.200 -91.000 TRP6 268 1.020 -4.654 3.216 23.890 -99.200 -91.000 TYR 270 0.840 4.613 8.183 27.182 -99.200 -91.000 TYR 275 0.840 3.868 7.211 33.333 -99.200 -91.000 PHE 276 1.000 1.366 13.604 29.373 -99.200 -91.000 HIS 285 0.900 -11.972 15.473 37.848 -99.200 -91.000 PHE 292 1.000 -3.077 13.556 22.195 -99.200 -91.000 PHE 306 1.000 -0.202 13.801 1.021 -99.200 -91.000 HIS 308 0.900 -3.471 5.509 -6.104 -99.200 -91.000 PHE 309 1.000 -2.801 11.994 -4.116 -99.200 -91.000 PHE 334 1.000 -0.740 18.850 0.443 -99.200 -91.000 TYR 336 0.840 -8.962 12.072 4.345 -99.200 -91.000 TYR 341 0.840 -0.375 18.113 9.955 -99.200 -91.000 HIS 342 0.900 -6.271 22.762 12.238 -99.200 -91.000 TRP 366 1.040 14.264 1.213 44.169 -99.200 -91.000 TRP6 366 1.020 15.974 2.555 45.128 -99.200 -91.000 TYR 379 0.840 36.482 2.176 39.703 -99.200 -91.000 TYR 385 0.840 24.464 -9.285 30.784 -99.200 -91.000 PHE 404 1.000 25.981 -7.273 43.181 -99.200 -91.000 TYR 425 0.840 20.971 4.635 35.645 -99.200 -91.000 PHE 436 1.000 14.512 19.954 20.012 -99.200 -91.000