============================================================================= 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. TYR 7 0.840 110.235 22.522 33.327 -99.200 -91.000 PHE 20 1.000 111.969 2.955 27.146 -99.200 -91.000 HIS 26 0.900 118.637 1.650 15.708 -99.200 -91.000 TYR 27 0.840 117.274 -2.341 18.939 -99.200 -91.000