============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 25 0.840 38.208 45.470 90.568 -99.200 -91.000 PHE 39 1.000 26.009 55.355 103.109 -99.200 -91.000 TYR 45 0.840 32.332 39.987 84.178 -99.200 -91.000 HIS 46 0.900 34.204 34.852 89.434 -99.200 -91.000 PHE 47 1.000 32.809 31.451 86.436 -99.200 -91.000 HIS 97 0.900 17.652 49.671 100.709 -99.200 -91.000