============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. PHE 8 1.000 -5.610 11.266 -44.641 -99.200 -91.000 HIS 14 0.900 -9.453 -1.339 -39.187 -99.200 -91.000 PHE 17 1.000 -21.181 -10.514 -40.762 -99.200 -91.000 PHE 25 1.000 -18.199 -8.984 -36.544 -99.200 -91.000 PHE 28 1.000 -11.399 -8.364 -31.024 -99.200 -91.000 HIS 30 0.900 -21.417 -13.548 -29.516 -99.200 -91.000 PHE 38 1.000 -31.541 -7.970 -25.862 -99.200 -91.000 TRP 70 1.040 -20.830 3.305 -41.872 -99.200 -91.000 TRP6 70 1.020 -21.216 1.100 -42.598 -99.200 -91.000 HIS 79 0.900 -23.289 -5.643 -16.847 -99.200 -91.000 TYR 81 0.840 -30.759 -3.836 -16.504 -99.200 -91.000 TYR 86 0.840 -25.169 -6.124 -26.986 -99.200 -91.000 PHE 92 1.000 -25.101 -2.753 -35.095 -99.200 -91.000 TRP 113 1.040 -9.064 13.826 -15.358 -99.200 -91.000 TRP6 113 1.020 -10.876 14.467 -16.736 -99.200 -91.000 TYR 124 0.840 -16.868 0.178 -7.173 -99.200 -91.000 TYR 125 0.840 -7.030 -4.351 -8.226 -99.200 -91.000 PHE 136 1.000 -17.460 7.793 -7.871 -99.200 -91.000 TRP 140 1.040 -25.430 -5.240 -7.904 -99.200 -91.000 TRP6 140 1.020 -24.455 -7.241 -8.691 -99.200 -91.000 HIS 149 0.900 -23.515 2.440 -12.656 -99.200 -91.000 PHE 155 1.000 -29.750 3.529 -5.123 -99.200 -91.000 TYR 162 0.840 -19.861 9.658 0.617 -99.200 -91.000 PHE 192 1.000 -20.024 18.558 -15.665 -99.200 -91.000 TRP 193 1.040 -28.757 19.149 -15.294 -99.200 -91.000 TRP6 193 1.020 -30.531 18.678 -16.779 -99.200 -91.000 TRP 203 1.040 -26.616 12.956 -23.388 -99.200 -91.000 TRP6 203 1.020 -28.420 14.468 -23.567 -99.200 -91.000 TYR 207 0.840 -10.325 10.011 -23.256 -99.200 -91.000 TRP 209 1.040 -17.818 8.997 -16.971 -99.200 -91.000 TRP6 209 1.020 -19.585 10.505 -17.400 -99.200 -91.000 PHE 223 1.000 -26.648 -6.811 8.010 -99.200 -91.000 HIS 239 0.900 -46.113 -3.268 6.503 -99.200 -91.000 TRP 241 1.040 -35.730 -3.559 3.717 -99.200 -91.000 TRP6 241 1.020 -36.650 -2.637 1.749 -99.200 -91.000 PHE 243 1.000 -43.366 1.509 7.120 -99.200 -91.000 PHE 252 1.000 -26.138 2.674 10.918 -99.200 -91.000 TRP 266 1.040 -34.935 -17.270 -2.352 -99.200 -91.000 TRP6 266 1.020 -33.674 -15.422 -3.110 -99.200 -91.000 PHE 272 1.000 -21.001 0.304 3.353 -99.200 -91.000 HIS 273 0.900 -22.276 2.016 10.800 -99.200 -91.000 PHE 274 1.000 -20.753 4.944 4.175 -99.200 -91.000 PHE 284 1.000 -28.988 -2.699 10.422 -99.200 -91.000 PHE 288 1.000 -36.108 -5.607 9.883 -99.200 -91.000 TYR 298 0.840 -24.372 -7.010 12.822 -99.200 -91.000 TRP 303 1.040 -15.643 1.556 -0.314 -99.200 -91.000 TRP6 303 1.020 -14.484 1.671 -2.370 -99.200 -91.000 PHE 307 1.000 -18.845 -0.328 -2.794 -99.200 -91.000 TYR 309 0.840 -19.759 -10.106 2.451 -99.200 -91.000 PHE 323 1.000 -13.401 -8.841 -21.324 -99.200 -91.000 PHE 326 1.000 -24.732 -10.539 -14.736 -99.200 -91.000 PHE 331 1.000 -30.390 -9.348 -17.676 -99.200 -91.000 PHE 347 1.000 -43.100 -5.243 0.779 -99.200 -91.000 TYR 348 0.840 -50.025 -13.565 1.936 -99.200 -91.000 PHE 361 1.000 -33.096 -11.973 -9.145 -99.200 -91.000 PHE 367 1.000 -33.961 5.843 -4.646 -99.200 -91.000 PHE 378 1.000 -25.850 18.244 -8.087 -99.200 -91.000 PHE 381 1.000 -32.446 8.841 -10.053 -99.200 -91.000 HIS 383 0.900 -37.546 9.239 -10.638 -99.200 -91.000 TYR 393 0.840 -41.435 -5.324 -9.743 -99.200 -91.000 TRP 397 1.040 -34.578 -17.766 -20.361 -99.200 -91.000 TRP6 397 1.020 -35.458 -15.578 -20.233 -99.200 -91.000 PHE 408 1.000 -38.686 -19.042 -17.334 -99.200 -91.000 TRP 411 1.040 -43.965 -14.840 -12.306 -99.200 -91.000 TRP6 411 1.020 -42.140 -13.513 -11.612 -99.200 -91.000 TYR 416 0.840 -44.158 -2.406 -14.664 -99.200 -91.000 PHE 418 1.000 -49.889 -7.883 -6.508 -99.200 -91.000 PHE 422 1.000 -50.655 -2.814 -4.199 -99.200 -91.000 TYR 431 0.840 -31.411 4.193 -12.527 -99.200 -91.000 HIS 434 0.900 -34.040 -1.873 -13.762 -99.200 -91.000 TRP 444 1.040 -34.458 7.938 -33.430 -99.200 -91.000 TRP6 444 1.020 -35.323 10.060 -32.860 -99.200 -91.000 TRP 460 1.040 -39.069 6.995 -24.372 -99.200 -91.000 TRP6 460 1.020 -40.645 6.314 -25.998 -99.200 -91.000 TYR 464 0.840 -36.538 5.816 -19.019 -99.200 -91.000 PHE 465 1.000 -33.993 11.120 -18.435 -99.200 -91.000 TYR 469 0.840 -39.160 14.775 -22.732 -99.200 -91.000 PHE 485 1.000 -22.748 10.498 -30.889 -99.200 -91.000 HIS 487 0.900 -31.251 5.047 -26.768 -99.200 -91.000