============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 3 0.840 9.229 -19.403 18.405 -99.200 -91.000 HIS 17 0.900 -5.958 -21.484 17.343 -99.200 -91.000 PHE 18 1.000 -1.232 -17.835 11.550 -99.200 -91.000 HIS 25 0.900 9.954 -6.243 10.029 -99.200 -91.000 TYR 33 0.840 -5.799 -15.672 7.529 -99.200 -91.000 PHE 46 1.000 -3.840 -10.435 7.861 -99.200 -91.000 PHE 48 1.000 -3.088 -6.545 19.478 -99.200 -91.000 HIS 57 0.900 2.777 -1.599 13.136 -99.200 -91.000 TYR 73 0.840 -11.961 -6.151 10.037 -99.200 -91.000