============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. HIS 14 0.900 0.414 21.913 34.071 -99.200 -91.000 HIS 15 0.900 1.897 26.573 28.363 -99.200 -91.000 TYR 39 0.840 13.953 18.289 46.046 -99.200 -91.000 TYR 43 0.840 18.847 18.578 46.166 -99.200 -91.000