============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 36 0.840 40.950 37.510 -32.727 -99.200 -91.000 TYR 41 0.840 29.470 21.852 -18.667 -99.200 -91.000 TYR 43 0.840 31.281 18.019 -12.380 -99.200 -91.000 PHE 49 1.000 22.495 31.712 -6.288 -99.200 -91.000 TYR 56 0.840 24.661 28.861 -9.250 -99.200 -91.000 PHE 58 1.000 29.509 33.242 -12.085 -99.200 -91.000 HIS 86 0.900 22.075 21.864 -25.211 -99.200 -91.000 TYR 95 0.840 24.688 36.057 -10.666 -99.200 -91.000 PHE 98 1.000 25.976 39.915 -20.158 -99.200 -91.000 PHE 102 1.000 49.431 45.532 -19.062 -99.200 -91.000 PHE 104 1.000 52.925 40.670 -25.333 -99.200 -91.000 PHE 109 1.000 56.190 36.314 -28.586 -99.200 -91.000