============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 1 1.000 18.224 -20.689 -8.273 -99.200 -91.000 TRP 12 1.040 19.634 -3.007 -13.975 -99.200 -91.000 TRP6 12 1.020 19.834 -0.866 -13.002 -99.200 -91.000 TRP 21 1.040 -4.737 -0.544 -12.631 -99.200 -91.000 TRP6 21 1.020 -5.825 -2.429 -11.715 -99.200 -91.000 HIS 71 0.900 -6.977 6.440 -15.878 -99.200 -91.000 HIS 77 0.900 -14.790 -11.143 -6.542 -99.200 -91.000 TYR 80 0.840 -6.775 -6.155 -4.377 -99.200 -91.000 TRP 84 1.040 -0.843 -11.055 -4.027 -99.200 -91.000 TRP6 84 1.020 -2.396 -9.550 -3.105 -99.200 -91.000 TRP 86 1.040 -6.008 -18.918 -10.298 -99.200 -91.000 TRP6 86 1.020 -7.496 -18.538 -8.503 -99.200 -91.000 HIS 92 0.900 -18.988 -11.695 -12.139 -99.200 -91.000 HIS 93 0.900 -20.184 -14.311 -15.035 -99.200 -91.000 PHE 103 1.000 -17.234 -10.907 6.911 -99.200 -91.000 PHE 105 1.000 -18.751 -9.219 -6.197 -99.200 -91.000 TYR 117 0.840 -3.596 -18.453 -1.718 -99.200 -91.000 HIS 118 0.900 -10.888 -16.761 3.363 -99.200 -91.000 TYR 119 0.840 -13.340 -14.828 -3.210 -99.200 -91.000