============================================================================= 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 4 1.040 16.375 -5.106 12.641 -99.200 -91.000 TRP6 4 1.020 16.415 -6.346 10.639 -99.200 -91.000