============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 -38.717 6.031 11.253 -99.200 -91.000 PHE 16 1.000 -48.134 5.900 1.388 -99.200 -91.000 PHE 23 1.000 -56.915 13.252 12.805 -99.200 -91.000 TYR 26 0.840 -50.160 1.951 6.587 -99.200 -91.000 PHE 27 1.000 -45.846 8.062 10.694 -99.200 -91.000 HIS 30 0.900 -37.546 8.188 1.995 -99.200 -91.000 PHE 38 1.000 -21.796 19.567 1.713 -99.200 -91.000 HIS 46 0.900 -19.562 12.129 -11.401 -99.200 -91.000 PHE 60 1.000 -34.707 2.488 12.975 -99.200 -91.000 TYR 67 0.840 -29.508 5.904 1.642 -99.200 -91.000 HIS 77 0.900 -12.073 8.328 9.201 -99.200 -91.000 PHE 85 1.000 -31.349 7.827 21.268 -99.200 -91.000 TYR 89 0.840 -35.703 13.912 10.274 -99.200 -91.000 PHE 90 1.000 -41.637 9.406 14.114 -99.200 -91.000 TYR 95 0.840 -53.186 20.788 10.652 -99.200 -91.000 TYR 105 0.840 -35.354 17.825 14.888 -99.200 -91.000 TYR 106 0.840 -39.822 10.812 19.448 -99.200 -91.000 TYR 124 0.840 -10.011 10.851 7.130 -99.200 -91.000 HIS 132 0.900 -21.206 21.401 4.757 -99.200 -91.000 PHE 152 1.000 -15.744 24.575 9.897 -99.200 -91.000 TRP 169 1.040 -29.425 26.447 17.722 -99.200 -91.000 TRP6 169 1.020 -27.110 26.469 18.178 -99.200 -91.000 TYR 186 0.840 -12.192 28.208 12.732 -99.200 -91.000 TYR 211 0.840 -20.394 39.288 -1.845 -99.200 -91.000 TYR 214 0.840 -23.722 35.983 6.053 -99.200 -91.000 TYR 224 0.840 -29.268 35.700 1.419 -99.200 -91.000 TYR 234 0.840 -24.684 38.039 -3.667 -99.200 -91.000 PHE 241 1.000 -32.980 35.166 -9.491 -99.200 -91.000 TYR 245 0.840 -35.928 25.064 -13.516 -99.200 -91.000 PHE 263 1.000 -22.141 27.471 -5.186 -99.200 -91.000 TYR 267 0.840 -15.866 27.815 -5.445 -99.200 -91.000 TYR 275 0.840 -21.620 23.263 -14.661 -99.200 -91.000 HIS 279 0.900 -24.815 21.092 -13.140 -99.200 -91.000 PHE 306 1.000 -33.997 20.451 -13.334 -99.200 -91.000 PHE 310 1.000 -38.801 21.044 -15.091 -99.200 -91.000