============================================================================= 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 56 0.900 -42.387 -41.320 -28.910 -99.200 -91.000 TYR 65 0.840 -33.319 -57.800 -31.210 -99.200 -91.000 TYR 122 0.840 -55.190-138.470 -43.805 -99.200 -91.000 HIS 123 0.900 -50.959-140.424 -42.772 -99.200 -91.000