============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 -10.211 -3.081 11.064 -99.200 -91.000 PHE 14 1.000 -3.982 -2.200 3.772 -99.200 -91.000 PHE 19 1.000 -2.256 9.230 13.726 -99.200 -91.000 PHE 40 1.000 3.862 1.379 10.598 -99.200 -91.000 PHE 89 1.000 -11.774 7.712 6.600 -99.200 -91.000 TYR 102 0.840 -9.351 0.327 25.286 -99.200 -91.000 TRP 111 1.040 -10.780 0.111 1.306 -99.200 -91.000 TRP6 111 1.020 -11.004 -0.475 3.595 -99.200 -91.000