============================================================================= 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. TYR 8 0.840 1.687 -25.874 -7.390 -99.200 -91.000 PHE 23 1.000 -9.997 -28.769 -24.211 -99.200 -91.000 TRP 40 1.040 -0.753 -27.611 -15.861 -99.200 -91.000 TRP6 40 1.020 -3.011 -27.103 -15.375 -99.200 -91.000