============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 1 0.900 -12.826 14.772 -21.330 -99.200 -91.000 TYR 4 0.840 -20.783 11.351 -9.650 -99.200 -91.000 TRP 6 1.040 -26.183 13.693 -11.642 -99.200 -91.000 TRP6 6 1.020 -25.755 11.966 -10.079 -99.200 -91.000 HIS 33 0.900 -27.144 25.232 24.403 -99.200 -91.000 HIS 34 0.900 -31.990 18.351 23.743 -99.200 -91.000 TYR 38 0.840 -26.910 18.991 10.495 -99.200 -91.000 PHE 54 1.000 -16.067 18.469 -9.902 -99.200 -91.000 HIS 63 0.900 8.254 19.196 -12.251 -99.200 -91.000 TYR 64 0.840 0.369 12.395 -13.504 -99.200 -91.000 HIS 95 0.900 -24.869 -6.407 11.913 -99.200 -91.000 PHE 101 1.000 -27.225 -10.816 -8.759 -99.200 -91.000 TYR 103 0.840 -24.905 -13.903 -2.096 -99.200 -91.000 HIS 118 0.900 -23.971 -13.849 -7.039 -99.200 -91.000 HIS 120 0.900 -16.181 -20.749 -6.065 -99.200 -91.000 TRP 123 1.040 -12.093 -15.443 -9.727 -99.200 -91.000 TRP6 123 1.020 -10.992 -13.559 -8.821 -99.200 -91.000 PHE 145 1.000 -21.545 16.118 9.321 -99.200 -91.000 PHE 157 1.000 -23.809 -0.065 -1.757 -99.200 -91.000 TYR 171 0.840 -7.271 -7.825 3.096 -99.200 -91.000 TYR 186 0.840 -0.740 3.699 3.518 -99.200 -91.000 PHE 188 1.000 -5.776 5.834 5.736 -99.200 -91.000 TYR 190 0.840 3.333 6.577 10.266 -99.200 -91.000 PHE 198 1.000 6.282 10.968 8.991 -99.200 -91.000 TRP 203 1.040 7.588 22.027 13.477 -99.200 -91.000 TRP6 203 1.020 6.209 23.010 11.846 -99.200 -91.000 PHE 212 1.000 1.386 22.906 1.719 -99.200 -91.000 TYR 214 0.840 -4.430 21.267 -2.498 -99.200 -91.000 PHE 219 1.000 -8.351 12.723 -4.195 -99.200 -91.000 TYR 235 0.840 -4.440 -0.637 -7.961 -99.200 -91.000 TYR 256 0.840 -11.810 -1.180 -8.741 -99.200 -91.000 TYR 271 0.840 -21.791 5.060 -17.060 -99.200 -91.000 TYR 291 0.840 3.844 9.748 -2.497 -99.200 -91.000 PHE 334 1.000 0.983 21.358 -3.139 -99.200 -91.000 TYR 341 0.840 0.111 17.790 -11.664 -99.200 -91.000 TYR 353 0.840 5.418 30.196 8.470 -99.200 -91.000 HIS 369 0.900 3.426 19.496 31.156 -99.200 -91.000 TYR 377 0.840 5.489 17.750 21.386 -99.200 -91.000 TYR 378 0.840 -2.864 15.746 23.761 -99.200 -91.000 TRP 392 1.040 -28.569 10.017 15.832 -99.200 -91.000 TRP6 392 1.020 -29.754 11.779 14.795 -99.200 -91.000 HIS 397 0.900 -28.631 0.688 21.182 -99.200 -91.000 TRP 403 1.040 -20.195 5.196 21.867 -99.200 -91.000 TRP6 403 1.020 -19.059 3.819 23.397 -99.200 -91.000 TYR 410 0.840 -9.359 12.312 18.085 -99.200 -91.000 TRP 415 1.040 -11.461 16.093 23.026 -99.200 -91.000 TRP6 415 1.020 -12.397 14.372 21.715 -99.200 -91.000 HIS 423 0.900 -23.393 10.280 27.985 -99.200 -91.000 PHE 424 1.000 -21.277 7.337 24.520 -99.200 -91.000 PHE 425 1.000 -15.972 2.185 30.021 -99.200 -91.000 TYR 443 0.840 -5.680 4.835 10.765 -99.200 -91.000 TYR 447 0.840 -10.257 -2.706 13.152 -99.200 -91.000 HIS 462 0.900 -3.789 6.664 22.036 -99.200 -91.000 PHE 467 1.000 -4.681 3.758 30.317 -99.200 -91.000 HIS 470 0.90