============================================================================= 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. PHE 4 1.000 19.985 6.575 5.004 -99.200 -91.000 PHE 45 1.000 26.426 16.344 0.342 -99.200 -91.000 TYR 59 0.840 25.396 20.228 -5.357 -99.200 -91.000 HIS 68 0.900 20.680 17.237 7.461 -99.200 -91.000