============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 13 0.840 -2.315 118.692 103.665 -99.200 -91.000 TYR 16 0.840 -2.135 124.831 106.781 -99.200 -91.000 TYR 17 0.840 -0.771 124.622 101.684 -99.200 -91.000 TYR 32 0.840 12.549 136.753 102.345 -99.200 -91.000 TYR 34 0.840 16.363 136.270 113.129 -99.200 -91.000