============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 10 0.900 16.082 28.972 56.915 -99.200 -91.000 TYR 17 0.840 21.722 38.171 54.333 -99.200 -91.000 TYR 58 0.840 35.928 32.767 49.877 -99.200 -91.000 HIS 77 0.900 22.240 20.621 36.277 -99.200 -91.000 TYR 88 0.840 25.017 18.983 49.463 -99.200 -91.000 TYR 89 0.840 19.078 27.484 46.296 -99.200 -91.000 TYR 102 0.840 29.594 27.969 39.261 -99.200 -91.000