============================================================================= 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 37.659 21.711 28.353 -99.200 -91.000 PHE 14 1.000 53.203 43.102 24.483 -99.200 -91.000 PHE 39 1.000 52.554 35.176 31.046 -99.200 -91.000 TYR 40 0.840 54.514 27.579 32.718 -99.200 -91.000 TYR 44 0.840 41.518 24.497 26.653 -99.200 -91.000 PHE 51 1.000 33.260 30.157 39.481 -99.200 -91.000 PHE 54 1.000 36.317 29.289 43.547 -99.200 -91.000 TYR 60 0.840 33.564 33.219 45.697 -99.200 -91.000 PHE 67 1.000 26.567 43.073 44.703 -99.200 -91.000 PHE 71 1.000 23.547 45.478 34.179 -99.200 -91.000 PHE 73 1.000 21.969 40.623 23.441 -99.200 -91.000 TRP 82 1.040 22.786 46.114 24.055 -99.200 -91.000 TRP6 82 1.020 22.808 48.000 22.636 -99.200 -91.000 TRP 83 1.040 24.553 44.972 28.034 -99.200 -91.000 TRP6 83 1.020 25.100 42.725 28.503 -99.200 -91.000 TRP 91 1.040 28.320 30.003 39.541 -99.200 -91.000 TRP6 91 1.020 28.869 27.766 39.059 -99.200 -91.000 HIS 93 0.900 20.142 28.781 38.209 -99.200 -91.000 HIS 103 0.900 21.953 24.031 28.173 -99.200 -91.000 HIS 107 0.900 28.857 26.400 25.649 -99.200 -91.000 HIS 111 0.900 25.345 36.272 34.452 -99.200 -91.000 TRP 114 1.040 39.674 42.244 38.996 -99.200 -91.000 TRP6 114 1.020 40.648 42.453 41.140 -99.200 -91.000 TYR 120 0.840 38.961 28.740 38.820 -99.200 -91.000 TRP 123 1.040 40.143 26.157 45.137 -99.200 -91.000 TRP6 123 1.020 39.805 24.984 43.124 -99.200 -91.000 TRP 134 1.040 43.758 38.670 28.122 -99.200 -91.000 TRP6 134 1.020 43.219 39.491 25.973 -99.200 -91.000 TYR 136 0.840 54.644 38.250 24.995 -99.200 -91.000 HIS 143 0.900 55.536 44.687 15.531 -99.200 -91.000 PHE 147 1.000 40.860 40.875 13.546 -99.200 -91.000 TRP 149 1.040 42.725 35.669 12.847 -99.200 -91.000 TRP6 149 1.020 41.280 35.664 14.712 -99.200 -91.000 HIS 159 0.900 32.741 32.976 10.756 -99.200 -91.000 TYR 160 0.840 41.663 31.066 12.032 -99.200 -91.000 TRP 164 1.040 25.421 40.283 16.175 -99.200 -91.000 TRP6 164 1.020 23.970 39.894 18.002 -99.200 -91.000 PHE 168 1.000 24.675 44.350 19.726 -99.200 -91.000 PHE 178 1.000 29.937 27.282 18.756 -99.200 -91.000 PHE 187 1.000 34.835 29.526 16.711 -99.200 -91.000 TYR 192 0.840 52.812 33.519 22.264 -99.200 -91.000 TYR 195 0.840 42.480 25.733 21.777 -99.200 -91.000 TRP 202 1.040 33.727 41.873 26.705 -99.200 -91.000 TRP6 202 1.020 35.420 43.419 26.152 -99.200 -91.000 TRP 204 1.040 36.320 40.111 35.450 -99.200 -91.000 TRP6 204 1.020 35.855 42.418 35.747 -99.200 -91.000 TRP 208 1.040 43.434 49.623 40.700 -99.200 -91.000 TRP6 208 1.020 41.166 49.388 41.300 -99.200 -91.000 TRP 209 1.040 39.708 52.588 32.055 -99.200 -91.000 TRP6 209 1.020 39.727 51.553 29.942 -99.200 -91.000 HIS 212 0.900 44.855 60.259 30.555 -99.200 -91.000 HIS 213 0.900 47.454 53.256 28.364 -99.200 -91.000 TYR 237 0.840 27.433 35.796 23.977 -99.200 -91.000 HIS 240 0.900 28.759 43.476 13.314 -99.200 -91.000 TYR 243 0.840 27.720 46.032 19.671 -99.200 -91.000 TYR 245 0.840 37.282 46.801 14.756 -99.200 -91.000 TYR 247 0.840 35.821 41.791 16.143 -99.200 -91.000 PHE 266 1.000 37.764 33.464 36.071 -99.200 -91.000