============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 16 1.000 10.009 -8.368 -10.935 -99.200 -91.000 TYR 38 0.840 27.565 -26.329 0.776 -99.200 -91.000 PHE 48 1.000 22.493 -28.376 2.959 -99.200 -91.000 TYR 56 0.840 14.734 -31.256 7.908 -99.200 -91.000 HIS 74 0.900 10.156 -6.770 6.259 -99.200 -91.000 PHE 79 1.000 10.204 -14.936 0.806 -99.200 -91.000 PHE 91 1.000 8.087 -18.664 -0.051 -99.200 -91.000 TYR 100 0.840 -0.324 -10.556 -5.393 -99.200 -91.000 HIS 105 0.900 9.372 -17.901 -21.741 -99.200 -91.000 TYR 112 0.840 19.466 -23.904 -23.654 -99.200 -91.000 TYR 147 0.840 0.411 -9.662 -12.496 -99.200 -91.000 TYR 155 0.840 18.274 -2.702 -17.516 -99.200 -91.000 PHE 158 1.000 13.541 -8.229 -17.226 -99.200 -91.000