============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 7 1.000 7.323 -7.724 49.050 -99.200 -91.000 HIS 18 0.900 12.259 -6.963 22.581 -99.200 -91.000 HIS 19 0.900 3.875 -5.799 23.509 -99.200 -91.000 PHE 20 1.000 8.360 -6.355 30.871 -99.200 -91.000 PHE 31 1.000 6.327 -0.752 61.837 -99.200 -91.000 PHE 49 1.000 13.433 -5.697 29.299 -99.200 -91.000 PHE 51 1.000 14.239 -8.105 37.298 -99.200 -91.000