============================================================================= 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 5 0.840 83.948 27.129 128.399 -99.200 -91.000 PHE 8 1.000 78.027 24.688 135.952 -99.200 -91.000 PHE 13 1.000 74.211 24.841 127.870 -99.200 -91.000 PHE 26 1.000 84.268 40.660 114.389 -99.200 -91.000 TYR 42 0.840 88.051 43.351 130.780 -99.200 -91.000