============================================================================= 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. TRP 4 1.040 19.900 -1.815 12.618 -99.200 -91.000 TRP6 4 1.020 18.190 -1.205 11.102 -99.200 -91.000 PHE 8 1.000 11.593 -1.387 18.258 -99.200 -91.000 HIS 16 0.900 4.818 1.860 23.196 -99.200 -91.000