============================================================================= 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. HIS 1 0.900 2.768 -17.348 4.973 -99.200 -91.000 PHE 5 1.000 19.267 -19.486 8.469 -99.200 -91.000 PHE 46 1.000 14.974 -13.707 17.580 -99.200 -91.000 TYR 60 0.840 9.360 -15.228 22.892 -99.200 -91.000 TRP 65 1.040 16.159 -14.899 5.067 -99.200 -91.000 TRP6 65 1.020 15.646 -17.033 4.188 -99.200 -91.000 PHE 69 1.000 22.496 -17.938 18.354 -99.200 -91.000