============================================================================= 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. HIS 22 0.900 42.171 -1.008 20.835 -99.200 -91.000 PHE 24 1.000 44.165 -3.679 15.843 -99.200 -91.000 TRP 32 1.040 44.432 -8.212 11.890 -99.200 -91.000 TRP6 32 1.020 43.266 -7.214 10.120 -99.200 -91.000 PHE 35 1.000 44.503 3.757 9.633 -99.200 -91.000 HIS 47 0.900 31.999 11.954 14.464 -99.200 -91.000 PHE 55 1.000 39.846 4.670 5.300 -99.200 -91.000 TYR 60 0.840 42.190 0.579 6.560 -99.200 -91.000 TYR 69 0.840 28.540 -1.006 26.860 -99.200 -91.000 TRP 70 1.040 28.052 -6.606 26.663 -99.200 -91.000 TRP6 70 1.020 26.267 -5.182 26.081 -99.200 -91.000 HIS 79 0.900 36.630 -12.120 20.933 -99.200 -91.000 HIS 81 0.900 39.026 -7.616 21.212 -99.200 -91.000 PHE 86 1.000 36.531 -0.645 6.909 -99.200 -91.000 TYR 96 0.840 35.020 2.324 3.472 -99.200 -91.000 TYR 105 0.840 26.738 -14.980 24.969 -99.200 -91.000 TYR 107 0.840 29.173 -8.736 15.867 -99.200 -91.000