============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 15 1.000 12.193 18.376 -63.050 -99.200 -91.000 TYR 19 0.840 19.963 22.360 -62.277 -99.200 -91.000 PHE 23 1.000 17.254 11.471 -55.853 -99.200 -91.000 PHE 39 1.000 22.616 20.197 -53.728 -99.200 -91.000 PHE 58 1.000 32.514 2.840 -42.037 -99.200 -91.000 TYR 64 0.840 24.610 21.548 -49.597 -99.200 -91.000 HIS 68 0.900 10.860 22.676 -54.886 -99.200 -91.000 TYR 76 0.840 6.019 6.448 -58.202 -99.200 -91.000 PHE 82 1.000 10.701 24.166 -49.856 -99.200 -91.000 PHE 106 1.000 9.113 13.315 -52.026 -99.200 -91.000