============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 18 0.900 -5.710 3.117 74.822 -99.200 -91.000 PHE 29 1.000 -6.749 4.310 81.083 -99.200 -91.000 TYR 39 0.840 4.688 0.973 69.081 -99.200 -91.000 TYR 84 0.840 -10.630 5.682 64.542 -99.200 -91.000 PHE 85 1.000 -7.624 4.098 68.415 -99.200 -91.000 TYR 94 0.840 3.816 22.544 81.463 -99.200 -91.000 PHE 107 1.000 14.007 12.004 72.061 -99.200 -91.000 HIS 123 0.900 11.802 5.790 69.915 -99.200 -91.000 PHE 135 1.000 13.732 1.696 65.050 -99.200 -91.000 HIS 142 0.900 -1.768 11.832 78.232 -99.200 -91.000 TYR 145 0.840 2.287 4.445 77.444 -99.200 -91.000 PHE 153 1.000 10.606 -0.836 76.659 -99.200 -91.000 TYR 185 0.840 12.950 16.884 74.198 -99.200 -91.000 HIS 190 0.900 6.339 21.039 68.696 -99.200 -91.000