============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. TRP 4 1.040 11.230 21.809 12.960 -99.200 -91.000 TRP6 4 1.020 11.126 23.965 13.926 -99.200 -91.000 HIS 9 0.900 4.989 23.568 4.040 -99.200 -91.000