============================================================================= 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. PHE 31 1.000 14.970 12.633 -24.843 -99.200 -91.000 TRP 36 1.040 10.304 19.331 -8.131 -99.200 -91.000 TRP6 36 1.020 8.594 17.687 -8.064 -99.200 -91.000 TYR 61 0.840 14.601 3.469 -20.196 -99.200 -91.000