============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 13 0.840 56.062 46.343 -30.613 -99.200 -91.000 TYR 16 0.840 51.923 51.078 -28.089 -99.200 -91.000 TYR 18 0.840 45.231 50.535 -35.879 -99.200 -91.000 HIS 25 0.900 50.874 58.467 -45.801 -99.200 -91.000 PHE 41 1.000 59.884 47.061 -40.321 -99.200 -91.000 PHE 46 1.000 62.841 44.021 -28.652 -99.200 -91.000 HIS 58 0.900 76.989 38.147 -23.980 -99.200 -91.000 TYR 59 0.840 80.861 39.707 -30.694 -99.200 -91.000 HIS 85 0.900 67.311 60.564 -42.217 -99.200 -91.000 TYR 97 0.840 63.968 58.395 -19.766 -99.200 -91.000