============================================================================= 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 37.712 21.675 28.362 -99.200 -91.000 PHE 14 1.000 53.258 43.044 24.515 -99.200 -91.000 PHE 39 1.000 52.615 35.081 31.133 -99.200 -91.000 TYR 40 0.840 54.564 27.496 32.770 -99.200 -91.000 TYR 44 0.840 41.509 24.453 26.722 -99.200 -91.000 PHE 51 1.000 33.289 30.101 39.569 -99.200 -91.000 PHE 54 1.000 36.354 29.249 43.643 -99.200 -91.000 TYR 60 0.840 33.625 33.148 45.831 -99.200 -91.000 PHE 67 1.000 26.665 43.005 44.848 -99.200 -91.000 PHE 71 1.000 23.537 45.504 34.357 -99.200 -91.000 PHE 73 1.000 22.189 40.581 23.571 -99.200 -91.000 TRP 82 1.040 22.669 46.112 24.123 -99.200 -91.000 TRP6 82 1.020 22.591 48.011 22.729 -99.200 -91.000 TRP 83 1.040 24.563 44.952 28.138 -99.200 -91.000 TRP6 83 1.020 25.176 42.737 28.677 -99.200 -91.000 TRP 91 1.040 28.384 29.960 39.637 -99.200 -91.000 TRP6 91 1.020 28.883 27.706 39.128 -99.200 -91.000 HIS 93 0.900 20.195 28.703 38.307 -99.200 -91.000 HIS 103 0.900 21.970 24.099 28.158 -99.200 -91.000 HIS 107 0.900 28.843 26.374 25.700 -99.200 -91.000 HIS 111 0.900 25.429 36.277 34.540 -99.200 -91.000 TRP 114 1.040 39.727 42.210 39.119 -99.200 -91.000 TRP6 114 1.020 40.717 42.392 41.257 -99.200 -91.000 TYR 120 0.840 39.016 28.695 38.890 -99.200 -91.000 TRP 123 1.040 40.180 26.092 45.218 -99.200 -91.000 TRP6 123 1.020 39.853 24.935 43.195 -99.200 -91.000 TRP 134 1.040 43.784 38.603 28.210 -99.200 -91.000 TRP6 134 1.020 43.288 39.461 26.070 -99.200 -91.000 TYR 136 0.840 54.722 38.178 25.050 -99.200 -91.000 HIS 143 0.900 55.635 44.634 15.535 -99.200 -91.000 PHE 147 1.000 40.959 40.807 13.582 -99.200 -91.000 TRP 149 1.040 42.798 35.604 12.916 -99.200 -91.000 TRP6 149 1.020 41.357 35.606 14.781 -99.200 -91.000 HIS 159 0.900 32.794 32.921 10.779 -99.200 -91.000 TYR 160 0.840 41.714 31.021 12.103 -99.200 -91.000 TRP 164 1.040 25.529 40.290 16.226 -99.200 -91.000 TRP6 164 1.020 24.110 39.888 18.068 -99.200 -91.000 PHE 168 1.000 24.858 44.263 19.862 -99.200 -91.000 PHE 178 1.000 29.913 27.224 18.859 -99.200 -91.000 PHE 187 1.000 34.837 29.477 16.806 -99.200 -91.000 TYR 192 0.840 52.882 33.451 22.339 -99.200 -91.000 TYR 195 0.840 42.468 25.666 21.902 -99.200 -91.000 TRP 202 1.040 33.814 41.869 26.811 -99.200 -91.000 TRP6 202 1.020 35.514 43.396 26.246 -99.200 -91.000 TRP 204 1.040 36.410 40.040 35.524 -99.200 -91.000 TRP6 204 1.020 35.954 42.347 35.834 -99.200 -91.000 TRP 208 1.040 43.544 49.551 40.802 -99.200 -91.000 TRP6 208 1.020 41.268 49.306 41.383 -99.200 -91.000 TRP 209 1.040 39.742 52.483 32.110 -99.200 -91.000 TRP6 209 1.020 39.797 51.453 29.981 -99.200 -91.000 HIS 212 0.900 44.902 60.210 30.630 -99.200 -91.000 HIS 213 0.900 47.541 53.187 28.449 -99.200 -91.000 TYR 237 0.840 27.461 35.831 24.029 -99.200 -91.000 HIS 240 0.900 28.820 43.416 13.394 -99.200 -91.000 TYR 243 0.840 27.353 48.992 20.819 -99.200 -91.000 TYR 245 0.840 37.341 46.723 14.818 -99.200 -91.000 TYR 247 0.840 35.892 41.741 16.134 -99.200 -91.000 PHE 266 1.000 37.838 33.434 36.157 -99.200 -91.000