============================================================================= 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. TRP 4 1.040 17.298 -6.409 12.625 -99.200 -91.000 TRP6 4 1.020 17.743 -7.383 10.520 -99.200 -91.000 PHE 8 1.000 11.630 -7.436 18.059 -99.200 -91.000 HIS 16 0.900 4.846 -4.629 23.515 -99.200 -91.000