============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 8.879 15.165 36.760 -99.200 -91.000 PHE 34 1.000 18.840 40.766 37.241 -99.200 -91.000 TYR 43 0.840 24.813 46.994 41.331 -99.200 -91.000 TYR 54 0.840 18.326 25.594 50.551 -99.200 -91.000 PHE 81 1.000 26.285 36.954 28.944 -99.200 -91.000 PHE 82 1.000 28.985 32.510 36.489 -99.200 -91.000 TYR 83 0.840 27.456 39.148 40.300 -99.200 -91.000 PHE 84 1.000 25.253 42.509 36.599 -99.200 -91.000 PHE 85 1.000 22.451 33.310 30.980 -99.200 -91.000 HIS 87 0.900 23.609 37.023 41.652 -99.200 -91.000 PHE 88 1.000 16.226 37.409 33.863 -99.200 -91.000 PHE 90 1.000 21.401 31.511 41.301 -99.200 -91.000 TYR 91 0.840 14.274 39.602 39.245 -99.200 -91.000 TYR 99 0.840 2.598 33.122 43.238 -99.200 -91.000 PHE 103 1.000 10.745 27.979 38.494 -99.200 -91.000 PHE 107 1.000 21.940 22.815 25.892 -99.200 -91.000 PHE 109 1.000 15.377 30.840 24.836 -99.200 -91.000 TYR 110 0.840 19.530 28.522 30.538 -99.200 -91.000 TYR 113 0.840 24.558 34.282 25.512 -99.200 -91.000 PHE 125 1.000 18.021 21.906 35.055 -99.200 -91.000 TYR 127 0.840 18.542 29.269 44.130 -99.200 -91.000 TYR 129 0.840 18.939 17.528 44.057 -99.200 -91.000 TYR 151 0.840 22.098 15.307 23.500 -99.200 -91.000 PHE 154 1.000 23.846 19.215 30.029 -99.200 -91.000 PHE 156 1.000 16.822 12.428 32.738 -99.200 -91.000 TYR 158 0.840 27.455 19.157 34.884 -99.200 -91.000 TYR 169 0.840 10.258 11.445 11.365 -99.200 -91.000 TYR 180 0.840 17.013 0.486 32.690 -99.200 -91.000 TYR 187 0.840 13.662 1.623 35.841 -99.200 -91.000 TYR 188 0.840 17.711 8.885 35.012 -99.200 -91.000 PHE 191 1.000 6.538 16.079 30.637 -99.200 -91.000 PHE 204 1.000 7.152 17.095 7.738 -99.200 -91.000 TYR 216 0.840 -2.848 14.022 16.921 -99.200 -91.000 TYR 229 0.840 10.760 -3.911 26.614 -99.200 -91.000 PHE 238 1.000 5.616 11.853 34.076 -99.200 -91.000 PHE 241 1.000 1.272 10.916 25.226 -99.200 -91.000 TYR 248 0.840 -7.386 26.016 21.380 -99.200 -91.000 TYR 253 0.840 -7.490 10.688 19.173 -99.200 -91.000 TYR 257 0.840 -10.035 7.967 21.093 -99.200 -91.000 PHE 258 1.000 -3.197 7.545 23.649 -99.200 -91.000 TYR 262 0.840 1.942 11.887 34.919 -99.200 -91.000 HIS 276 0.900 -12.833 28.281 30.027 -99.200 -91.000 TYR 283 0.840 -9.942 18.951 35.635 -99.200 -91.000 HIS 284 0.900 -6.256 12.634 35.577 -99.200 -91.000 TYR 287 0.840 -4.682 20.586 40.284 -99.200 -91.000 TYR 303 0.840 7.011 45.888 38.784 -99.200 -91.000 TYR 311 0.840 -0.074 34.209 32.521 -99.200 -91.000 TYR 312 0.840 -1.178 29.700 42.663 -99.200 -91.000