============================================================================= 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. TRP 3 1.040 23.690 67.751 -14.239 -99.200 -91.000 TRP6 3 1.020 24.284 65.620 -15.071 -99.200 -91.000 TRP 12 1.040 1.555 75.967 3.466 -99.200 -91.000 TRP6 12 1.020 1.966 74.241 5.028 -99.200 -91.000 PHE 35 1.000 16.916 57.983 12.267 -99.200 -91.000