============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 26 0.840 44.020 1.024 43.811 -99.200 -91.000 TYR 35 0.840 30.627 16.927 44.580 -99.200 -91.000 PHE 54 1.000 49.291 6.706 55.266 -99.200 -91.000 HIS 59 0.900 32.886 3.102 51.351 -99.200 -91.000 TYR 69 0.840 45.020 4.437 29.262 -99.200 -91.000 HIS 70 0.900 43.821 2.556 25.895 -99.200 -91.000 PHE 72 1.000 37.075 5.443 31.255 -99.200 -91.000 PHE 99 1.000 26.872 -13.664 44.431 -99.200 -91.000 PHE 105 1.000 35.972 -9.475 49.897 -99.200 -91.000 HIS 111 0.900 40.630 -6.839 54.471 -99.200 -91.000 PHE 116 1.000 38.680 4.587 45.408 -99.200 -91.000 TRP 120 1.040 46.962 13.735 42.434 -99.200 -91.000 TRP6 120 1.020 48.504 11.953 42.173 -99.200 -91.000 TRP 121 1.040 41.641 6.653 42.188 -99.200 -91.000 TRP6 121 1.020 39.831 8.170 42.381 -99.200 -91.000 TYR 122 0.840 48.594 8.089 37.911 -99.200 -91.000 TYR 127 0.840 39.258 -3.222 38.957 -99.200 -91.000 TRP 165 1.040 7.009 -13.908 43.756 -99.200 -91.000 TRP6 165 1.020 8.409 -12.002 43.907 -99.200 -91.000 PHE 189 1.000 17.360 -2.838 49.845 -99.200 -91.000 PHE 193 1.000 12.197 -4.235 46.446 -99.200 -91.000 TYR 196 0.840 13.825 -2.616 39.601 -99.200 -91.000 TRP 201 1.040 2.422 -0.893 53.880 -99.200 -91.000 TRP6 201 1.020 1.622 -1.806 51.846 -99.200 -91.000 TYR 223 0.840 6.737 5.751 58.597 -99.200 -91.000 TYR 224 0.840 2.912 -0.766 61.566 -99.200 -91.000 TYR 230 0.840 7.084 -4.530 62.361 -99.200 -91.000 PHE 240 1.000 4.149 -6.039 54.239 -99.200 -91.000 PHE 270 1.000 22.001 -3.623 51.795 -99.200 -91.000 PHE 272 1.000 27.048 -5.641 56.639 -99.200 -91.000 TYR 282 0.840 7.660 -26.604 68.055 -99.200 -91.000 HIS 290 0.900 4.088 -27.743 56.437 -99.200 -91.000 HIS 305 0.900 25.201 -5.783 40.529 -99.200 -91.000 PHE 306 1.000 29.829 0.787 41.919 -99.200 -91.000 HIS 312 0.900 17.049 1.664 38.115 -99.200 -91.000 TRP 316 1.040 14.939 6.931 41.085 -99.200 -91.000 TRP6 316 1.020 16.434 6.154 42.739 -99.200 -91.000 TYR 320 0.840 9.781 8.020 42.059 -99.200 -91.000 HIS 349 0.900 16.601 11.638 63.907 -99.200 -91.000 TRP 358 1.040 38.267 15.752 48.045 -99.200 -91.000 TRP6 358 1.020 40.388 15.410 49.028 -99.200 -91.000