============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 31 1.000 26.906 17.071 95.577 -99.200 -91.000 TYR 40 0.840 34.232 12.319 74.868 -99.200 -91.000 TYR 55 0.840 26.727 9.027 77.362 -99.200 -91.000 PHE 71 1.000 15.686 14.492 100.370 -99.200 -91.000 PHE 88 1.000 27.256 14.967 84.221 -99.200 -91.000 TYR 92 0.840 18.867 14.879 96.076 -99.200 -91.000 TYR 98 0.840 19.932 17.182 100.404 -99.200 -91.000 PHE 115 1.000 34.334 8.478 78.450 -99.200 -91.000 PHE 127 1.000 34.516 16.492 86.083 -99.200 -91.000 PHE 143 1.000 24.538 24.207 91.424 -99.200 -91.000 TRP 145 1.040 21.945 22.418 103.335 -99.200 -91.000 TRP6 145 1.020 21.723 20.582 104.803 -99.200 -91.000 TYR 154 0.840 34.945 22.111 94.613 -99.200 -91.000 TYR 171 0.840 55.111 10.359 81.814 -99.200 -91.000 TYR 176 0.840 53.077 10.132 96.700 -99.200 -91.000 PHE 199 1.000 61.504 21.081 81.640 -99.200 -91.000 TYR 202 0.840 59.918 23.103 88.294 -99.200 -91.000 TYR 208 0.840 51.150 20.701 101.864 -99.200 -91.000 TYR 224 0.840 59.891 22.392 101.340 -99.200 -91.000 TYR 241 0.840 72.821 24.461 78.931 -99.200 -91.000 HIS 249 0.900 56.682 26.978 98.584 -99.200 -91.000 TYR 262 0.840 68.867 24.713 82.219 -99.200 -91.000 TYR 268 0.840 68.316 23.763 77.269 -99.200 -91.000 PHE 285 1.000 54.195 16.719 100.196 -99.200 -91.000 PHE 297 1.000 52.088 17.652 89.629 -99.200 -91.000 PHE 313 1.000 57.488 29.002 81.058 -99.200 -91.000 TRP 315 1.040 65.148 24.748 72.539 -99.200 -91.000 TRP6 315 1.020 66.903 23.183 72.486 -99.200 -91.000 TYR 316 0.840 62.697 27.399 69.799 -99.200 -91.000 TYR 324 0.840 52.269 19.479 79.772 -99.200 -91.000 PHE 325 1.000 48.385 12.344 77.626 -99.200 -91.000