============================================================================= 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. PHE 8 1.000 15.786 8.435 16.494 -99.200 -91.000 PHE 39 1.000 3.558 10.902 12.139 -99.200 -91.000 HIS 42 0.900 -1.167 15.041 7.138 -99.200 -91.000 PHE 71 1.000 -0.927 -0.682 10.408 -99.200 -91.000