============================================================================= 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 3 1.000 55.825 61.126 -13.906 -99.200 -91.000 PHE 6 1.000 50.411 64.423 -6.732 -99.200 -91.000 TYR 16 0.840 40.800 60.005 7.778 -99.200 -91.000 PHE 19 1.000 41.145 52.762 2.463 -99.200 -91.000 PHE 30 1.000 44.663 58.409 9.284 -99.200 -91.000 PHE 32 1.000 48.888 63.755 6.345 -99.200 -91.000 TYR 77 0.840 68.316 70.613 -1.154 -99.200 -91.000 TRP 85 1.040 54.067 52.549 13.531 -99.200 -91.000 TRP6 85 1.020 52.358 52.839 15.141 -99.200 -91.000 PHE 100 1.000 58.112 45.561 -0.342 -99.200 -91.000 PHE 103 1.000 53.658 34.503 -8.770 -99.200 -91.000 PHE 104 1.000 53.568 37.521 2.028 -99.200 -91.000 HIS 121 0.900 55.805 57.886 -9.719 -99.200 -91.000 TRP 126 1.040 62.846 51.635 4.077 -99.200 -91.000 TRP6 126 1.020 62.866 53.745 3.016 -99.200 -91.000 PHE 136 1.000 54.700 47.635 4.759 -99.200 -91.000 PHE 138 1.000 54.688 56.762 -0.904 -99.200 -91.000