============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 22.629 5.876 38.126 -99.200 -91.000 PHE 8 1.000 21.239 -6.666 31.148 -99.200 -91.000 TYR 9 0.840 20.853 -0.471 24.240 -99.200 -91.000 HIS 24 0.900 21.099 14.742 42.530 -99.200 -91.000 PHE 31 1.000 27.011 9.423 49.841 -99.200 -91.000 TYR 39 0.840 29.009 17.266 38.917 -99.200 -91.000 HIS 45 0.900 26.502 -2.299 29.562 -99.200 -91.000 TYR 59 0.840 20.675 -9.971 47.614 -99.200 -91.000 PHE 83 1.000 23.713 6.075 47.518 -99.200 -91.000 TYR 84 0.840 25.759 0.957 50.222 -99.200 -91.000 TRP 114 1.040 36.306 14.942 43.427 -99.200 -91.000 TRP6 114 1.020 34.585 13.779 42.260 -99.200 -91.000 PHE 116 1.000 33.202 18.951 41.235 -99.200 -91.000 PHE 123 1.000 35.127 18.933 46.412 -99.200 -91.000