============================================================================= 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 38 1.000 67.411 16.302 54.680 -99.200 -91.000 TYR 41 0.840 75.265 22.056 45.300 -99.200 -91.000 HIS 65 0.900 78.663 36.987 60.830 -99.200 -91.000 PHE 82 1.000 73.765 17.514 59.154 -99.200 -91.000 PHE 86 1.000 65.553 23.880 50.340 -99.200 -91.000 PHE 91 1.000 73.545 31.353 40.674 -99.200 -91.000