============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. TRP 35 1.040 7.411 -0.394 25.083 -99.200 -91.000 TRP6 35 1.020 6.126 1.484 25.769 -99.200 -91.000