============================================================================= 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 8 1.000 2.210 25.219 41.714 -99.200 -91.000 TYR 11 0.840 11.910 30.087 46.907 -99.200 -91.000 TYR 31 0.840 16.776 38.363 42.946 -99.200 -91.000 PHE 32 1.000 18.036 34.561 35.334 -99.200 -91.000 PHE 33 1.000 11.704 32.889 41.082 -99.200 -91.000 TYR 35 0.840 7.161 28.422 43.177 -99.200 -91.000 PHE 43 1.000 12.418 35.675 33.134 -99.200 -91.000 TYR 62 0.840 -0.588 28.368 29.285 -99.200 -91.000 TYR 63 0.840 -10.827 32.242 32.408 -99.200 -91.000 TYR 66 0.840 -3.029 24.005 31.987 -99.200 -91.000 PHE 86 1.000 3.691 41.928 35.707 -99.200 -91.000 PHE 88 1.000 6.695 36.295 32.224 -99.200 -91.000 HIS 94 0.900 10.755 24.285 19.409 -99.200 -91.000 TYR 114 0.840 13.240 45.068 21.267 -99.200 -91.000 HIS 121 0.900 15.048 35.761 18.904 -99.200 -91.000 HIS 125 0.900 14.988 24.584 18.179 -99.200 -91.000 TYR 129 0.840 8.391 31.652 24.814 -99.200 -91.000 TYR 153 0.840 5.247 44.054 48.481 -99.200 -91.000 TYR 161 0.840 6.633 35.088 51.082 -99.200 -91.000 TYR 169 0.840 7.773 25.624 35.805 -99.200 -91.000 PHE 170 1.000 10.680 20.773 27.040 -99.200 -91.000 TYR 185 0.840 14.393 14.701 40.851 -99.200 -91.000 TYR 189 0.840 12.404 20.842 33.915 -99.200 -91.000 TYR 191 0.840 16.600 23.217 32.101 -99.200 -91.000