============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. HIS 4 0.900 24.762 43.243 80.451 -99.200 -91.000 HIS 12 0.900 47.480 60.453 66.025 -99.200 -91.000 HIS 15 0.900 44.290 63.478 68.852 -99.200 -91.000 TYR 32 0.840 23.057 58.718 85.268 -99.200 -91.000