============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 36 0.900 11.485 -2.327 43.776 -99.200 -91.000 HIS 42 0.900 11.962 -7.750 24.247 -99.200 -91.000 TYR 46 0.840 7.549 -0.360 23.633 -99.200 -91.000 TYR 63 0.840 16.433 9.185 23.669 -99.200 -91.000 TYR 64 0.840 8.875 10.100 31.990 -99.200 -91.000 HIS 65 0.900 6.659 13.528 25.289 -99.200 -91.000 HIS 76 0.900 21.701 7.587 29.404 -99.200 -91.000 TYR 88 0.840 4.944 6.186 31.858 -99.200 -91.000 TYR 97 0.840 11.131 -0.672 32.901 -99.200 -91.000