============================================================================= 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 12 0.840 43.409 109.784 80.790 -99.200 -91.000 TYR 15 0.840 43.932 114.560 76.297 -99.200 -91.000 TYR 16 0.840 43.692 115.718 81.214 -99.200 -91.000 TYR 31 0.840 32.858 130.749 77.165 -99.200 -91.000 TYR 33 0.840 28.569 128.217 66.952 -99.200 -91.000