============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 19 1.000 -14.418 54.094 -16.586 -99.200 -91.000 PHE 20 1.000 -8.906 61.028 -15.381 -99.200 -91.000 TYR 21 0.840 -15.026 57.732 -21.408 -99.200 -91.000 HIS 29 0.900 -5.735 56.619 -15.283 -99.200 -91.000 HIS 35 0.900 -17.637 51.030 -2.348 -99.200 -91.000 TRP 44 1.040 -29.397 45.270 9.369 -99.200 -91.000 TRP6 44 1.020 -28.521 46.797 10.915 -99.200 -91.000 TYR 45 0.840 -24.732 45.127 0.054 -99.200 -91.000 HIS 47 0.900 -21.826 50.512 -0.613 -99.200 -91.000 TYR 57 0.840 -12.018 63.811 -1.909 -99.200 -91.000 TYR 71 0.840 -1.944 62.010 -23.234 -99.200 -91.000 TRP 91 1.040 -24.248 65.509 3.845 -99.200 -91.000 TRP6 91 1.020 -25.090 64.267 2.022 -99.200 -91.000 TYR 100 0.840 -26.651 53.622 10.283 -99.200 -91.000 TRP 105 1.040 -28.034 49.039 -5.177 -99.200 -91.000 TRP6 105 1.020 -28.734 47.013 -6.153 -99.200 -91.000 PHE 117 1.000 -45.042 53.566 6.746 -99.200 -91.000 TYR 121 0.840 -49.655 56.109 4.351 -99.200 -91.000 TYR 133 0.840 -47.878 48.607 -6.885 -99.200 -91.000 PHE 134 1.000 -45.819 52.964 0.601 -99.200 -91.000 TYR 137 0.840 -34.298 48.999 -6.515 -99.200 -91.000 PHE 138 1.000 -37.490 53.396 -6.485 -99.200 -91.000 PHE 141 1.000 -41.399 51.946 3.081 -99.200 -91.000 TRP 145 1.040 -34.350 50.647 10.329 -99.200 -91.000 TRP6 145 1.020 -32.166 51.082 11.078 -99.200 -91.000 TRP 170 1.040 -20.783 60.953 0.360 -99.200 -91.000 TRP6 170 1.020 -20.627 62.197 2.344 -99.200 -91.000 PHE 173 1.000 -22.154 68.670 1.838 -99.200 -91.000 TYR 181 0.840 -26.797 72.309 -7.318 -99.200 -91.000 TRP 200 1.040 -37.011 67.327 -3.575 -99.200 -91.000 TRP6 200 1.020 -36.147 65.147 -3.846 -99.200 -91.000 PHE 208 1.000 -41.791 56.725 2.620 -99.200 -91.000 PHE 226 1.000 -25.599 68.602 -11.940 -99.200 -91.000 HIS 233 0.900 -9.500 65.915 1.549 -99.200 -91.000 TYR 237 0.840 -9.042 66.193 -10.828 -99.200 -91.000 PHE 259 1.000 -29.519 59.106 -26.897 -99.200 -91.000 TYR 268 0.840 -26.834 40.784 -18.719 -99.200 -91.000 PHE 273 1.000 -30.034 47.277 -11.647 -99.200 -91.000 TYR 284 0.840 -48.552 56.078 -13.691 -99.200 -91.000 TYR 295 0.840 -33.072 60.497 -22.549 -99.200 -91.000 PHE 297 1.000 -29.378 64.338 -22.945 -99.200 -91.000 TYR 305 0.840 -41.856 60.567 -17.571 -99.200 -91.000 TRP 320 1.040 -23.300 34.684 -0.420 -99.200 -91.000 TRP6 320 1.020 -23.620 32.369 -0.936 -99.200 -91.000 PHE 348 1.000 -27.609 30.017 -5.576 -99.200 -91.000 PHE 352 1.000 -27.275 34.959 -2.258 -99.200 -91.000 TYR 356 0.840 -34.129 43.800 -5.179 -99.200 -91.000 TRP 360 1.040 -41.376 44.571 -7.715 -99.200 -91.000 TRP6 360 1.020 -39.316 45.638 -7.221 -99.200 -91.000 TYR 369 0.840 -35.453 25.081 -4.174 -99.200 -91.000 PHE 373 1.000 -23.927 12.085 -1.132 -99.200 -91.000 HIS 379 0.900 -22.375 20.064 -11.737 -99.200 -91.000 PHE 390 1.000 -34.223 29.427 -15.983 -99.200 -91.000 HIS 409 0.900 -39.149 44.737 -33.947 -99.200 -91.000 PHE 423 1.000 -24.953 35.562 -18.011 -99.200 -91.000 PHE 426 1.000 -29.650 29.271 -19.525 -99.200 -91.000 TYR 440 0.840 -18.386 53.297 -27.693 -99.200 -91.000 TRP 459 1.040 -18.308 65.497 -28.591 -99.200 -91.000 TRP6 459 1.020 -18.821 64.813 -26.394 -99.200 -91.000 PHE 476 1.000 -23.976 36.265 -27.674 -99.200 -91.000 HIS 477 0.900 -29.117 36.028 -34.488 -99.200 -91.000 TRP 492 1.040 -37.292 30.906 -12.763 -99.200 -91.000 TRP6 492 1.020 -35.453 31.459 -11.330 -99.200 -91.000