============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 41.916 44.094 -15.850 -99.200 -91.000 TYR 7 0.840 44.982 36.170 -13.074 -99.200 -91.000 PHE 25 1.000 47.101 46.514 -2.991 -99.200 -91.000 TYR 47 0.840 38.888 47.572 -12.362 -99.200 -91.000 TYR 49 0.840 43.952 54.608 -7.652 -99.200 -91.000 TRP 57 1.040 55.365 31.174 -19.616 -99.200 -91.000 TRP6 57 1.020 55.915 28.922 -19.120 -99.200 -91.000 TRP 66 1.040 49.098 40.005 -19.612 -99.200 -91.000 TRP6 66 1.020 47.924 42.060 -19.695 -99.200 -91.000 TYR 70 0.840 52.370 44.772 -27.134 -99.200 -91.000 PHE 78 1.000 46.372 51.264 -20.535 -99.200 -91.000 TYR 85 0.840 53.297 47.926 -15.559 -99.200 -91.000 PHE 86 1.000 51.244 40.409 -10.359 -99.200 -91.000 TYR 94 0.840 64.347 30.491 -19.451 -99.200 -91.000 PHE 98 1.000 64.290 37.531 -12.857 -99.200 -91.000 TYR 119 0.840 59.540 53.043 -11.420 -99.200 -91.000 TRP 120 1.040 61.065 44.346 -5.784 -99.200 -91.000 TRP6 120 1.020 59.949 44.769 -3.744 -99.200 -91.000 TYR 125 0.840 64.681 40.107 -7.568 -99.200 -91.000 PHE 127 1.000 68.463 41.172 -13.242 -99.200 -91.000 PHE 138 1.000 63.932 43.306 -11.504 -99.200 -91.000 TRP 159 1.040 55.368 45.996 -5.659 -99.200 -91.000 TRP6 159 1.020 53.492 45.273 -6.907 -99.200 -91.000 PHE 167 1.000 47.910 51.404 -7.158 -99.200 -91.000