============================================================================= 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. PHE 24 1.000 12.257 36.298 41.336 -99.200 -91.000 TRP 26 1.040 7.946 33.057 42.653 -99.200 -91.000 TRP6 26 1.020 10.172 32.356 43.005 -99.200 -91.000 PHE 36 1.000 13.614 28.303 47.620 -99.200 -91.000 HIS 43 0.900 7.300 23.919 54.361 -99.200 -91.000