============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 81 rings ring int. center anis. iso. PHE 2 1.000 11.901 13.901 2.001 -99.200 -91.000 TYR 12 0.840 17.518 15.954 23.706 -99.200 -91.000 TYR 17 0.840 13.048 20.163 17.647 -99.200 -91.000 PHE 37 1.000 -4.766 19.965 22.084 -99.200 -91.000 PHE 41 1.000 -6.552 16.816 23.475 -99.200 -91.000 TYR 43 0.840 -15.931 19.177 26.506 -99.200 -91.000 TYR 50 0.840 -9.814 17.015 27.128 -99.200 -91.000 TYR 51 0.840 -15.659 11.817 24.418 -99.200 -91.000 TYR 53 0.840 -14.996 9.016 35.898 -99.200 -91.000 TYR 59 0.840 -13.327 17.778 35.524 -99.200 -91.000 HIS 62 0.900 -11.715 16.711 30.676 -99.200 -91.000 TYR 63 0.840 -13.115 8.887 29.512 -99.200 -91.000 TRP 82 1.040 0.401 7.239 22.150 -99.200 -91.000 TRP6 82 1.020 -0.884 5.588 21.097 -99.200 -91.000 PHE 96 1.000 0.844 16.799 30.939 -99.200 -91.000 TRP 100 1.040 -0.003 13.272 35.988 -99.200 -91.000 TRP6 100 1.020 0.590 11.010 35.744 -99.200 -91.000 PHE 102 1.000 -9.595 8.434 33.605 -99.200 -91.000 TYR 106 0.840 -10.470 8.125 38.547 -99.200 -91.000 HIS 113 0.900 -2.281 -5.680 42.308 -99.200 -91.000 TYR 122 0.840 0.219 4.933 35.774 -99.200 -91.000 TRP 124 1.040 -4.520 -3.792 28.619 -99.200 -91.000 TRP6 124 1.020 -5.614 -3.500 26.568 -99.200 -91.000 PHE 133 1.000 -20.396 5.927 39.953 -99.200 -91.000 TYR 135 0.840 -15.317 -2.037 34.899 -99.200 -91.000 TYR 148 0.840 4.474 7.969 23.217 -99.200 -91.000 PHE 149 1.000 0.297 7.519 31.317 -99.200 -91.000 PHE 151 1.000 8.709 12.869 25.016 -99.200 -91.000 TRP 160 1.040 3.144 23.827 30.899 -99.200 -91.000 TRP6 160 1.020 2.009 21.823 30.484 -99.200 -91.000 PHE 166 1.000 -1.489 16.619 38.394 -99.200 -91.000 TYR 168 0.840 2.945 19.269 35.413 -99.200 -91.000 TYR 169 0.840 12.730 15.946 37.685 -99.200 -91.000 PHE 191 1.000 2.749 -7.757 24.561 -99.200 -91.000 TYR 194 0.840 2.192 -10.743 35.213 -99.200 -91.000 TYR 203 0.840 4.833 -1.971 23.847 -99.200 -91.000 HIS 204 0.900 12.621 -1.677 21.734 -99.200 -91.000 PHE 208 1.000 9.285 9.333 23.516 -99.200 -91.000 TYR 209 0.840 13.926 3.819 25.509 -99.200 -91.000 TYR 211 0.840 12.968 14.696 27.452 -99.200 -91.000 PHE 212 1.000 12.152 8.388 29.219 -99.200 -91.000 TYR 224 0.840 18.119 1.350 33.432 -99.200 -91.000 TRP 225 1.040 16.436 6.050 32.379 -99.200 -91.000 TRP6 225 1.020 14.785 4.600 31.574 -99.200 -91.000 HIS 239 0.900 11.359 -6.606 14.389 -99.200 -91.000 PHE 240 1.000 12.760 -1.654 10.912 -99.200 -91.000 HIS 248 0.900 9.276 -12.280 9.327 -99.200 -91.000 TRP 249 1.040 8.808 -11.100 1.252 -99.200 -91.000 TRP6 249 1.020 10.574 -10.789 -0.278 -99.200 -91.000 PHE 254 1.000 1.280 -8.116 19.007 -99.200 -91.000 TYR 266 0.840 -2.509 -16.496 17.839 -99.200 -91.000 PHE 268 1.000 0.527 -13.064 25.038 -99.200 -91.000 TRP 277 1.040 -0.820 -11.595 11.516 -99.200 -91.000 TRP6 277 1.020 -3.124 -11.205 11.784 -99.200 -91.000 TYR 278 0.840