============================================================================= 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 25 1.040 40.472 47.234 16.904 -99.200 -91.000 TRP6 25 1.020 38.648 45.921 16.218 -99.200 -91.000 HIS 64 0.900 47.320 53.376 12.850 -99.200 -91.000 PHE 79 1.000 27.041 46.621 5.101 -99.200 -91.000