============================================================================= 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 20.971 -21.952 38.878 -99.200 -91.000 HIS 42 0.900 8.686 -13.536 24.627 -99.200 -91.000 TYR 46 0.840 11.525 -20.514 20.488 -99.200 -91.000 TYR 63 0.840 4.316 -30.841 23.845 -99.200 -91.000 TYR 64 0.840 15.350 -31.933 25.025 -99.200 -91.000 HIS 65 0.900 12.486 -34.999 18.535 -99.200 -91.000 HIS 76 0.900 3.699 -30.321 31.817 -99.200 -91.000 TYR 88 0.840 17.986 -27.944 22.839 -99.200 -91.000 TYR 97 0.840 14.592 -21.839 30.009 -99.200 -91.000