============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 3 0.900 12.377 55.277 26.594 -99.200 -91.000 TYR 6 0.840 6.955 52.482 21.643 -99.200 -91.000 PHE 10 1.000 13.345 45.933 28.372 -99.200 -91.000 TYR 17 0.840 10.996 36.001 25.966 -99.200 -91.000 PHE 42 1.000 22.180 30.108 24.289 -99.200 -91.000 HIS 46 0.900 21.144 34.973 21.910 -99.200 -91.000 PHE 57 1.000 16.733 49.788 29.285 -99.200 -91.000 HIS 65 0.900 27.729 37.618 26.319 -99.200 -91.000 PHE 90 1.000 16.223 28.696 40.170 -99.200 -91.000