============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 5 1.000 -12.288 -32.296 56.097 -99.200 -91.000 TYR 31 0.840 -17.732 -13.138 40.359 -99.200 -91.000 HIS 32 0.900 -20.723 -8.590 40.473 -99.200 -91.000 HIS 45 0.900 1.664 -24.545 60.743 -99.200 -91.000 PHE 48 1.000 -5.808 -26.217 59.563 -99.200 -91.000 PHE 49 1.000 -16.183 -26.509 55.700 -99.200 -91.000 PHE 61 1.000 -10.344 -16.919 57.325 -99.200 -91.000 TRP 64 1.040 -3.920 -15.666 56.703 -99.200 -91.000 TRP6 64 1.020 -5.289 -16.820 55.166 -99.200 -91.000 PHE 75 1.000 -10.137 -22.937 38.996 -99.200 -91.000 TRP 86 1.040 -20.877 -7.629 45.460 -99.200 -91.000 TRP6 86 1.020 -22.566 -5.993 45.196 -99.200 -91.000 PHE 95 1.000 -0.517 -21.173 40.686 -99.200 -91.000 TYR 102 0.840 -7.289 -17.494 29.174 -99.200 -91.000 TYR 122 0.840 -4.140 -33.598 42.887 -99.200 -91.000 TYR 132 0.840 -20.647 -27.224 44.614 -99.200 -91.000 HIS 149 0.900 -15.641 -30.230 45.296 -99.200 -91.000 TRP 158 1.040 0.163 -27.425 50.054 -99.200 -91.000 TRP6 158 1.020 0.814 -25.269 50.749 -99.200 -91.000 PHE 164 1.000 -1.408 -26.165 36.232 -99.200 -91.000 PHE 193 1.000 -17.761 -3.795 45.722 -99.200 -91.000 TYR 222 0.840 -48.686 -10.799 12.537 -99.200 -91.000 PHE 229 1.000 -44.910 -13.824 9.098 -99.200 -91.000 PHE 242 1.000 -36.808 -15.647 0.648 -99.200 -91.000 TYR 257 0.840 -36.773 -20.565 0.849 -99.200 -91.000 TYR 270 0.840 -36.276 -7.663 -6.044 -99.200 -91.000 HIS 271 0.900 -44.592 -7.169 -0.595 -99.200 -91.000 HIS 279 0.900 -39.622 0.392 12.399 -99.200 -91.000 TYR 280 0.840 -41.079 -8.215 14.905 -99.200 -91.000 TYR 290 0.840 -28.253 -4.591 22.999 -99.200 -91.000 HIS 306 0.900 -22.538 -3.960 40.673 -99.200 -91.000 PHE 309 1.000 -15.298 -6.330 32.217 -99.200 -91.000 PHE 343 1.000 -25.256 1.181 29.779 -99.200 -91.000 TRP 350 1.040 -17.722 11.925 40.254 -99.200 -91.000 TRP6 350 1.020 -16.442 9.971 40.588 -99.200 -91.000 PHE 353 1.000 -10.800 10.475 29.068 -99.200 -91.000 TYR 357 0.840 -4.450 1.105 23.034 -99.200 -91.000 HIS 367 0.900 6.383 -4.449 16.806 -99.200 -91.000 PHE 378 1.000 -1.171 1.949 10.916 -99.200 -91.000 HIS 385 0.900 -9.472 0.562 7.945 -99.200 -91.000 PHE 393 1.000 -11.464 0.271 -3.859 -99.200 -91.000 PHE 413 1.000 -11.906 -4.140 9.964 -99.200 -91.000 TYR 422 0.840 -18.282 -17.988 -1.137 -99.200 -91.000 PHE 438 1.000 -10.888 -4.307 -6.068 -99.200 -91.000 TYR 442 0.840 -3.720 -6.018 1.910 -99.200 -91.000 PHE 443 1.000 -1.713 -11.136 0.052 -99.200 -91.000 PHE 446 1.000 -0.696 -2.070 2.361 -99.200 -91.000 TYR 452 0.840 1.479 -12.270 10.422 -99.200 -91.000 TYR 465 0.840 4.389 -22.751 20.634 -99.200 -91.000 HIS 471 0.900 7.253 -13.695 25.314 -99.200 -91.000 TYR 475 0.840 0.167 -25.498 23.020 -99.200 -91.000 PHE 484 1.000 -8.738 -26.716 1.521 -99.200 -91.000 PHE 489 1.000 -13.346 -23.492 9.547 -99.200 -91.000 HIS 526 0.900 -14.386 4.788 39.815 -99.200 -91.000 HIS 532 0.900 -13.726 -7.226 23.174 -99.200 -91.000 TYR 569 0.840 -8.003 12.696 24.320 -99.200 -91.000 HIS 570 0.900 -13.984 11.528 21.027 -99.200 -91.000 TYR 571 0.840 -14.336 15.914 28.508 -99.200 -91.000 TRP 575 1.040 -20.138 4.132 26.740 -99.200 -91.000 TRP6 575 1.020 -20.727 1.874 27.047 -99.200 -91.000 TYR 576 0.840 -26.023 9.783 22.021 -99.200 -91.000