============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 1 1.000 47.336 95.531 24.004 -99.200 -91.000 TYR 7 0.840 47.316 91.814 36.239 -99.200 -91.000 HIS 30 0.900 42.836 112.122 52.144 -99.200 -91.000 PHE 31 1.000 46.298 108.049 57.817 -99.200 -91.000 TYR 35 0.840 36.602 101.500 61.443 -99.200 -91.000 TYR 43 0.840 38.320 102.616 46.369 -99.200 -91.000 TYR 67 0.840 34.293 89.416 48.749 -99.200 -91.000 PHE 74 1.000 41.203 86.561 46.782 -99.200 -91.000 PHE 78 1.000 49.880 90.860 60.246 -99.200 -91.000 PHE 86 1.000 50.454 86.680 62.572 -99.200 -91.000 HIS 90 0.900 44.533 78.334 58.873 -99.200 -91.000 HIS 91 0.900 39.469 82.073 61.773 -99.200 -91.000 TYR 92 0.840 39.653 87.549 56.956 -99.200 -91.000 TYR 133 0.840 49.108 80.914 55.376 -99.200 -91.000 PHE 137 1.000 55.315 90.428 56.872 -99.200 -91.000 PHE 152 1.000 46.783 97.699 46.808 -99.200 -91.000 TYR 153 0.840 53.254 99.023 41.691 -99.200 -91.000 HIS 162 0.900 47.470 80.700 39.792 -99.200 -91.000