============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. PHE 18 1.000 6.226 21.450 8.791 -99.200 -91.000 HIS 28 0.900 13.145 17.226 -2.527 -99.200 -91.000 TYR 36 0.840 10.898 14.231 -0.609 -99.200 -91.000 HIS 71 0.900 4.536 23.733 -2.443 -99.200 -91.000 TYR 86 0.840 -1.650 12.095 12.765 -99.200 -91.000