============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 2 1.000 13.019 -6.457 -13.637 -99.200 -91.000 TYR 17 0.840 8.762 0.974 6.182 -99.200 -91.000 TYR 18 0.840 3.874 -6.280 5.679 -99.200 -91.000 PHE 41 1.000 13.506 -16.513 6.236 -99.200 -91.000 HIS 48 0.900 1.717 -14.796 19.351 -99.200 -91.000 PHE 50 1.000 -0.661 -10.059 19.868 -99.200 -91.000 HIS 52 0.900 -5.079 -12.384 11.771 -99.200 -91.000 TYR 54 0.840 0.615 -22.046 12.308 -99.200 -91.000 TYR 55 0.840 8.259 -23.315 7.319 -99.200 -91.000 TYR 63 0.840 11.456 -29.091 8.169 -99.200 -91.000 TYR 71 0.840 17.146 -16.922 23.952 -99.200 -91.000 TYR 74 0.840 15.217 -10.340 17.577 -99.200 -91.000 TRP 79 1.040 12.704 -15.069 17.236 -99.200 -91.000 TRP6 79 1.020 14.187 -16.806 16.610 -99.200 -91.000 HIS 92 0.900 5.349 -8.856 -5.914 -99.200 -91.000 PHE 111 1.000 9.820 -11.687 16.537 -99.200 -91.000 PHE 112 1.000 5.549 -13.959 15.915 -99.200 -91.000 TRP 118 1.040 5.733 -7.482 11.210 -99.200 -91.000 TRP6 118 1.020 6.886 -8.665 12.902 -99.200 -91.000 TYR 126 0.840 27.844 -7.689 7.200 -99.200 -91.000 PHE 139 1.000 17.005 -14.820 1.935 -99.200 -91.000 PHE 140 1.000 21.829 -9.695 0.191 -99.200 -91.000 HIS 148 0.900 25.457 -16.821 -11.537 -99.200 -91.000 PHE 153 1.000 20.438 -5.091 2.259 -99.200 -91.000 HIS 177 0.900 21.804 4.954 -10.685 -99.200 -91.000 TYR 180 0.840 20.405 7.723 -6.342 -99.200 -91.000 TRP 185 1.040 27.645 12.953 -0.513 -99.200 -91.000 TRP6 185 1.020 29.916 13.604 -0.372 -99.200 -91.000 TYR 186 0.840 28.300 4.665 -1.655 -99.200 -91.000 TRP 193 1.040 29.495 -5.343 14.855 -99.200 -91.000 TRP6 193 1.020 29.229 -5.335 17.207 -99.200 -91.000 TYR 194 0.840 24.426 -5.318 16.413 -99.200 -91.000 TYR 195 0.840 24.166 -4.254 7.097 -99.200 -91.000 TYR 216 0.840 28.073 13.422 18.831 -99.200 -91.000 TYR 218 0.840 28.783 5.145 26.668 -99.200 -91.000 PHE 237 1.000 16.059 11.022 24.982 -99.200 -91.000 PHE 253 1.000 4.912 20.582 22.164 -99.200 -91.000 PHE 257 1.000 6.203 15.542 21.802 -99.200 -91.000 TRP 258 1.040 9.359 17.366 25.454 -99.200 -91.000 TRP6 258 1.020 10.120 17.902 23.280 -99.200 -91.000 TRP 266 1.040 0.083 21.067 17.368 -99.200 -91.000 TRP6 266 1.020 1.896 19.546 17.272 -99.200 -91.000 TRP 273 1.040 4.684 19.861 9.795 -99.200 -91.000 TRP6 273 1.020 5.065 17.815 10.920 -99.200 -91.000 PHE 276 1.000 7.851 20.278 17.068 -99.200 -91.000 TYR 282 0.840 27.629 17.675 9.950 -99.200 -91.000 PHE 292 1.000 27.672 10.685 4.322 -99.200 -91.000 TYR 301 0.840 12.358 15.830 15.079 -99.200 -91.000 TYR 309 0.840 1.890 14.765 13.661 -99.200 -91.000 PHE 311 1.000 11.251 13.669 20.716 -99.200 -91.000 PHE 330 1.000 18.020 11.083 4.708 -99.200 -91.000 TYR 331 0.840 18.053 3.743 -3.362 -99.200 -91.000 PHE 334 1.000 21.271 -1.028 4.626 -99.200 -91.000 PHE 343 1.000 22.809 6.850 5.255 -99.200 -91.000 HIS 349 0.900 11.467 14.958 -2.005 -99.200 -91.000 HIS 351 0.900 7.541 14.788 4.518 -99.200 -91.000 PHE 354 1.000 8.009 27.846 5.144 -99.200 -91.000 PHE 363 1.000 29.152 19.858 5.323 -99.200 -91.000 TYR 373 0.840 33.370 -0.234 22.831 -99.200 -91.000