============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 4 0.840 4.816 -67.990 50.187 -99.200 -91.000 PHE 8 1.000 -3.563 -70.634 51.680 -99.200 -91.000 PHE 11 1.000 -7.750 -65.958 50.275 -99.200 -91.000 PHE 20 1.000 -7.170 -73.621 62.351 -99.200 -91.000 PHE 23 1.000 -13.286 -79.853 60.963 -99.200 -91.000 TYR 28 0.840 -5.619 -79.393 58.056 -99.200 -91.000 PHE 29 1.000 -13.625 -79.930 54.879 -99.200 -91.000 PHE 30 1.000 -7.603 -75.177 51.610 -99.200 -91.000 PHE 35 1.000 -10.179 -70.031 48.948 -99.200 -91.000 PHE 47 1.000 -2.300 -65.656 49.529 -99.200 -91.000 TYR 48 0.840 -2.809 -73.537 45.250 -99.200 -91.000 PHE 59 1.000 6.080 -75.486 36.810 -99.200 -91.000 PHE 63 1.000 -3.218 -82.922 34.532 -99.200 -91.000 TYR 67 0.840 -15.612 -82.004 37.305 -99.200 -91.000 HIS 83 0.900 0.674 -60.247 39.851 -99.200 -91.000 HIS 84 0.900 5.612 -64.851 41.089 -99.200 -91.000 TYR 90 0.840 -4.743 -74.422 31.438 -99.200 -91.000 PHE 92 1.000 -8.999 -78.234 31.584 -99.200 -91.000 PHE 150 1.000 1.681 -92.099 41.029 -99.200 -91.000 TYR 166 0.840 -3.089 -67.084 61.499 -99.200 -91.000