============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.948 21.736 28.166 -99.200 -91.000 PHE 14 1.000 53.232 43.192 24.275 -99.200 -91.000 PHE 39 1.000 52.687 35.217 31.008 -99.200 -91.000 TYR 40 0.840 54.777 27.715 32.771 -99.200 -91.000 TYR 44 0.840 41.710 24.524 26.511 -99.200 -91.000 PHE 51 1.000 33.484 30.121 39.379 -99.200 -91.000 PHE 54 1.000 36.548 29.233 43.493 -99.200 -91.000 TYR 60 0.840 33.810 33.194 45.672 -99.200 -91.000 PHE 67 1.000 26.663 42.948 44.632 -99.200 -91.000 PHE 71 1.000 23.937 45.375 34.437 -99.200 -91.000 PHE 73 1.000 22.341 40.615 23.453 -99.200 -91.000 TRP 83 1.040 23.074 46.054 24.058 -99.200 -91.000 TRP6 83 1.020 23.097 47.970 22.674 -99.200 -91.000 TRP 84 1.040 24.835 45.012 28.079 -99.200 -91.000 TRP6 84 1.020 25.388 42.745 28.474 -99.200 -91.000 TRP 92 1.040 28.542 29.942 39.498 -99.200 -91.000 TRP6 92 1.020 29.109 27.705 38.986 -99.200 -91.000 HIS 94 0.900 20.350 28.654 38.102 -99.200 -91.000 HIS 104 0.900 22.150 23.907 28.140 -99.200 -91.000 HIS 108 0.900 29.045 26.301 25.588 -99.200 -91.000 HIS 112 0.900 25.521 36.223 34.391 -99.200 -91.000 TRP 115 1.040 39.842 42.209 38.921 -99.200 -91.000 TRP6 115 1.020 40.843 42.411 41.047 -99.200 -91.000 TYR 121 0.840 39.214 28.710 38.747 -99.200 -91.000 TRP 124 1.040 40.432 26.110 45.076 -99.200 -91.000 TRP6 124 1.020 40.081 24.941 43.065 -99.200 -91.000 TRP 135 1.040 43.878 38.690 28.068 -99.200 -91.000 TRP6 135 1.020 43.380 39.566 25.936 -99.200 -91.000 TYR 137 0.840 54.788 38.350 24.915 -99.200 -91.000 HIS 144 0.900 55.664 44.821 15.249 -99.200 -91.000 PHE 148 1.000 40.989 40.753 13.592 -99.200 -91.000 TRP 150 1.040 42.833 35.652 12.798 -99.200 -91.000 TRP6 150 1.020 41.414 35.667 14.666 -99.200 -91.000 HIS 160 0.900 32.829 32.830 10.663 -99.200 -91.000 TYR 161 0.840 41.829 31.131 11.955 -99.200 -91.000 TRP 165 1.040 25.504 40.117 16.052 -99.200 -91.000 TRP6 165 1.020 24.106 39.743 17.927 -99.200 -91.000 PHE 169 1.000 24.725 44.176 19.675 -99.200 -91.000 PHE 179 1.000 30.027 27.175 18.727 -99.200 -91.000 PHE 188 1.000 34.998 29.515 16.657 -99.200 -91.000 TYR 193 0.840 52.962 33.572 22.239 -99.200 -91.000 TYR 196 0.840 42.681 25.753 21.715 -99.200 -91.000 TRP 203 1.040 33.831 41.762 26.742 -99.200 -91.000 TRP6 203 1.020 35.485 43.349 26.140 -99.200 -91.000 TRP 205 1.040 36.479 40.018 35.382 -99.200 -91.000 TRP6 205 1.020 36.047 42.320 35.684 -99.200 -91.000 TRP 209 1.040 43.602 49.612 40.646 -99.200 -91.000 TRP6 209 1.020 41.334 49.394 41.294 -99.200 -91.000 TRP 210 1.040 39.836 52.586 32.062 -99.200 -91.000 TRP6 210 1.020 39.823 51.511 29.960 -99.200 -91.000 HIS 213 0.900 44.973 60.312 30.598 -99.200 -91.000 HIS 214 0.900 47.513 53.353 28.278 -99.200 -91.000 TYR 238 0.840 27.477 35.779 23.781 -99.200 -91.000 HIS 240 0.900 28.808 43.292 12.858 -99.200 -91.000 TYR 243 0.840 27.700 46.117 19.208 -99.200 -91.000 TYR 245 0.840 37.537 46.680 14.511 -99.200 -91.000 TYR 247 0.840 35.932 41.762 16.037 -99.200 -91.000 PHE 266 1.000 37.951 33.431 35.977 -99.200 -91.000