============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 1 1.000 48.392 4.539 29.945 -99.200 -91.000 PHE 8 1.000 34.774 8.325 12.542 -99.200 -91.000 PHE 21 1.000 27.613 0.885 16.291 -99.200 -91.000 TYR 31 0.840 32.112 14.370 20.409 -99.200 -91.000 PHE 33 1.000 25.059 8.622 25.864 -99.200 -91.000 PHE 38 1.000 17.475 9.525 19.387 -99.200 -91.000 PHE 57 1.000 20.255 9.150 14.052 -99.200 -91.000 PHE 59 1.000 31.100 11.850 15.415 -99.200 -91.000 PHE 74 1.000 23.311 4.638 12.788 -99.200 -91.000 PHE 77 1.000 25.101 -2.935 13.906 -99.200 -91.000 TYR 78 0.840 23.680 3.648 5.265 -99.200 -91.000 HIS 85 0.900 19.434 -7.587 3.389 -99.200 -91.000 HIS 91 0.900 19.840 -2.806 12.768 -99.200 -91.000 PHE 97 1.000 19.724 10.859 9.847 -99.200 -91.000 TRP 101 1.040 21.085 16.033 9.565 -99.200 -91.000 TRP6 101 1.020 21.625 14.929 11.561 -99.200 -91.000 PHE 106 1.000 19.508 14.043 19.624 -99.200 -91.000