============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 8 1.000 -61.559 30.141 23.737 -99.200 -91.000 PHE 19 1.000 -63.602 17.368 30.857 -99.200 -91.000 PHE 25 1.000 -61.166 26.980 32.932 -99.200 -91.000 TYR 40 0.840 -55.763 22.296 17.130 -99.200 -91.000 PHE 45 1.000 -59.084 26.837 9.320 -99.200 -91.000 HIS 54 0.900 -49.351 16.237 -2.902 -99.200 -91.000