============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 12 0.900 -32.869 21.967 69.469 -99.200 -91.000 TYR 22 0.840 -37.858 24.226 81.663 -99.200 -91.000 TYR 30 0.840 -20.833 48.940 74.615 -99.200 -91.000 HIS 32 0.900 -23.481 46.796 83.286 -99.200 -91.000 PHE 37 1.000 -33.673 35.466 78.286 -99.200 -91.000 TYR 39 0.840 -37.589 32.215 75.096 -99.200 -91.000 HIS 48 0.900 -47.968 38.670 76.315 -99.200 -91.000 HIS 78 0.900 -24.884 30.520 94.233 -99.200 -91.000 PHE 84 1.000 -36.858 29.511 89.513 -99.200 -91.000 HIS 87 0.900 -48.218 33.671 85.468 -99.200 -91.000 HIS 88 0.900 -38.371 31.016 85.230 -99.200 -91.000 PHE 94 1.000 -27.355 27.624 86.822 -99.200 -91.000 PHE 106 1.000 -18.019 38.988 73.800 -99.200 -91.000 TYR 110 0.840 -29.256 31.210 81.920 -99.200 -91.000 PHE 120 1.000 -27.861 20.200 83.971 -99.200 -91.000 PHE 145 1.000 -21.164 43.530 73.301 -99.200 -91.000