============================================================================= 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 3 1.000 88.696 8.012 32.879 -99.200 -91.000 PHE 10 1.000 79.770 13.785 30.638 -99.200 -91.000 TYR 14 0.840 77.068 16.480 35.437 -99.200 -91.000 PHE 30 1.000 101.184 45.506 40.728 -99.200 -91.000 TYR 61 0.840 106.334 37.677 52.627 -99.200 -91.000 PHE 79 1.000 95.617 20.534 51.813 -99.200 -91.000 TYR 91 0.840 111.552 21.902 52.451 -99.200 -91.000 TYR 111 0.840 88.374 14.816 48.854 -99.200 -91.000 TYR 114 0.840 92.045 7.565 45.841 -99.200 -91.000 TYR 120 0.840 87.801 19.482 48.241 -99.200 -91.000 PHE 126 1.000 96.025 28.857 45.870 -99.200 -91.000 PHE 137 1.000 101.422 29.330 39.984 -99.200 -91.000 TYR 148 0.840 95.694 31.493 33.769 -99.200 -91.000 PHE 163 1.000 88.391 45.738 29.812 -99.200 -91.000 TYR 168 0.840 98.248 41.898 31.701 -99.200 -91.000 TYR 209 0.840 98.946 39.523 48.680 -99.200 -91.000 TYR 212 0.840 94.497 48.811 46.776 -99.200 -91.000 PHE 220 1.000 92.281 52.604 42.227 -99.200 -91.000