============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 3 0.840 0.682 12.024 26.116 -99.200 -91.000 TYR 7 0.840 -3.479 21.478 23.849 -99.200 -91.000 PHE 21 1.000 15.610 6.276 -2.263 -99.200 -91.000 HIS 22 0.900 19.937 12.626 -6.065 -99.200 -91.000 PHE 44 1.000 -1.679 9.640 10.822 -99.200 -91.000 TYR 49 0.840 -3.036 13.970 14.018 -99.200 -91.000 HIS 74 0.900 4.557 22.323 16.247 -99.200 -91.000 PHE 80 1.000 5.816 16.758 14.183 -99.200 -91.000 HIS 87 0.900 17.924 0.990 1.915 -99.200 -91.000 PHE 94 1.000 20.410 5.003 2.940 -99.200 -91.000 PHE 108 1.000 16.407 19.757 13.543 -99.200 -91.000 PHE 109 1.000 10.064 17.712 15.290 -99.200 -91.000 PHE 124 1.000 9.545 12.050 15.272 -99.200 -91.000