============================================================================= 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. TYR 11 0.840 20.782 -2.770 -10.616 -99.200 -91.000 HIS 14 0.900 31.013 -1.084 -15.384 -99.200 -91.000 PHE 23 1.000 26.532 3.788 -18.564 -99.200 -91.000 TYR 27 0.840 14.970 -5.594 -13.546 -99.200 -91.000 PHE 31 1.000 6.338 -2.525 -14.419 -99.200 -91.000 HIS 32 0.900 -0.405 -6.880 -16.413 -99.200 -91.000 HIS 52 0.900 12.425 3.924 -21.861 -99.200 -91.000 PHE 57 1.000 4.966 -10.335 -22.302 -99.200 -91.000 TRP 61 1.040 0.826 -14.231 -18.578 -99.200 -91.000 TRP6 61 1.020 1.186 -14.460 -20.919 -99.200 -91.000 PHE 63 1.000 3.502 -5.489 -19.219 -99.200 -91.000 TYR 64 0.840 11.968 -7.933 -18.453 -99.200 -91.000 TYR 67 0.840 12.629 3.919 -16.869 -99.200 -91.000 TYR 68 0.840 20.268 2.391 -20.237 -99.200 -91.000 PHE 71 1.000 26.260 6.499 -10.495 -99.200 -91.000 TYR 79 0.840 24.094 10.051 -7.983 -99.200 -91.000 HIS 85 0.900 1.947 -0.106 -11.575 -99.200 -91.000 TRP 96 1.040 23.686 3.213 -5.796 -99.200 -91.000 TRP6 96 1.020 25.699 4.437 -5.652 -99.200 -91.000