============================================================================= 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 31 1.000 22.081 14.888 10.903 -99.200 -91.000 PHE 46 1.000 12.344 17.013 16.386 -99.200 -91.000 PHE 65 1.000 21.946 25.710 30.943 -99.200 -91.000 TRP 74 1.040 14.143 22.912 8.144 -99.200 -91.000 TRP6 74 1.020 14.705 20.659 8.530 -99.200 -91.000