============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 4 1.000 -12.717 -23.273 20.501 -99.200 -91.000 TYR 10 0.840 -0.293 -23.608 15.070 -99.200 -91.000 HIS 15 0.900 7.204 -28.743 5.937 -99.200 -91.000 TYR 21 0.840 -14.626 -25.403 5.677 -99.200 -91.000 PHE 22 1.000 -9.885 -18.551 9.401 -99.200 -91.000 TYR 23 0.840 -16.783 -16.808 13.968 -99.200 -91.000 PHE 33 1.000 -6.918 -23.384 9.044 -99.200 -91.000 TYR 35 0.840 -4.081 -29.283 10.768 -99.200 -91.000 PHE 45 1.000 -14.484 -25.593 14.415 -99.200 -91.000