============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 21 0.840 12.590 0.088 5.482 -99.200 -91.000 TYR 22 0.840 5.862 -4.202 10.232 -99.200 -91.000 TRP 26 1.040 12.075 -0.370 0.747 -99.200 -91.000 TRP6 26 1.020 10.460 1.330 1.043 -99.200 -91.000 TRP 34 1.040 -4.772 -0.354 -2.958 -99.200 -91.000 TRP6 34 1.020 -3.577 0.522 -1.104 -99.200 -91.000 PHE 42 1.000 1.801 4.144 -1.408 -99.200 -91.000 TYR 48 0.840 2.715 12.155 -6.021 -99.200 -91.000 TYR 57 0.840 1.587 -1.697 -11.203 -99.200 -91.000 TRP 65 1.040 6.546 -5.413 5.172 -99.200 -91.000 TRP6 65 1.020 7.110 -7.180 6.649 -99.200 -91.000 TRP 79 1.040 3.290 2.720 10.212 -99.200 -91.000 TRP6 79 1.020 4.035 2.759 7.952 -99.200 -91.000 TRP 86 1.040 1.840 -3.009 10.536 -99.200 -91.000 TRP6 86 1.020 2.541 -1.844 8.600 -99.200 -91.000 HIS 89 0.900 0.523 -12.557 2.930 -99.200 -91.000 HIS 93 0.900 5.095 -10.424 -3.299 -99.200 -91.000