============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 1 1.000 27.319 27.473 9.722 -99.200 -91.000 PHE 5 1.000 18.904 29.045 21.310 -99.200 -91.000 PHE 20 1.000 27.268 25.864 21.983 -99.200 -91.000 TYR 22 0.840 29.549 33.099 28.526 -99.200 -91.000 PHE 25 1.000 20.523 26.337 35.690 -99.200 -91.000 TYR 29 0.840 12.768 37.533 38.454 -99.200 -91.000 PHE 37 1.000 26.094 39.168 17.933 -99.200 -91.000 TYR 43 0.840 35.698 18.862 15.274 -99.200 -91.000 TRP 54 1.040 21.179 36.457 16.155 -99.200 -91.000 TRP6 54 1.020 21.162 38.799 15.859 -99.200 -91.000 PHE 62 1.000 10.152 44.364 24.769 -99.200 -91.000 TYR 69 0.840 16.016 40.947 16.416 -99.200 -91.000 TYR 80 0.840 8.548 21.009 24.508 -99.200 -91.000 PHE 88 1.000 4.150 19.662 23.059 -99.200 -91.000 TRP 94 1.040 6.881 30.939 20.418 -99.200 -91.000 TRP6 94 1.020 7.584 33.178 20.180 -99.200 -91.000 PHE 139 1.000 11.682 16.277 20.957 -99.200 -91.000 TYR 148 0.840 19.887 14.303 28.532 -99.200 -91.000 PHE 154 1.000 23.716 25.620 21.110 -99.200 -91.000