============================================================================= 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 11 0.900 55.402 54.662 25.558 -99.200 -91.000 HIS 17 0.900 68.345 45.884 42.608 -99.200 -91.000 HIS 21 0.900 77.087 37.940 40.104 -99.200 -91.000 TYR 22 0.840 68.257 33.380 41.997 -99.200 -91.000