============================================================================= 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 3 1.040 38.440 -7.344 4.064 -99.200 -91.000 TRP6 3 1.020 39.552 -5.461 3.180 -99.200 -91.000 PHE 5 1.000 35.153 1.771 6.662 -99.200 -91.000 HIS 6 0.900 34.001 -2.735 15.709 -99.200 -91.000