============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TRP 4 1.040 15.017 54.708 45.299 -99.200 -91.000 TRP6 4 1.020 15.165 52.586 44.277 -99.200 -91.000 TRP 6 1.040 18.558 49.432 41.200 -99.200 -91.000 TRP6 6 1.020 19.389 47.509 40.069 -99.200 -91.000 TYR 9 0.840 24.686 40.386 46.848 -99.200 -91.000 TRP 24 1.040 23.041 25.997 45.982 -99.200 -91.000 TRP6 24 1.020 21.553 27.836 45.867 -99.200 -91.000 TYR 31 0.840 24.945 44.269 48.935 -99.200 -91.000 TYR 43 0.840 24.366 51.849 53.281 -99.200 -91.000 TRP 52 1.040 15.593 27.406 49.044 -99.200 -91.000 TRP6 52 1.020 15.164 26.564 51.202 -99.200 -91.000 HIS 70 0.900 8.873 60.700 45.100 -99.200 -91.000 PHE 87 1.000 15.295 41.406 55.001 -99.200 -91.000 PHE 89 1.000 12.961 48.847 47.465 -99.200 -91.000 TRP 93 1.040 10.855 54.310 55.476 -99.200 -91.000 TRP6 93 1.020 10.888 55.915 53.728 -99.200 -91.000 TYR 101 0.840 19.609 48.649 62.509 -99.200 -91.000 TRP 106 1.040 20.240 37.177 69.198 -99.200 -91.000 TRP6 106 1.020 18.773 37.280 71.062 -99.200 -91.000 TRP 122 1.040 30.142 15.230 68.710 -99.200 -91.000 TRP6 122 1.020 30.802 15.750 70.921 -99.200 -91.000 TRP 126 1.040 30.112 20.630 74.180 -99.200 -91.000 TRP6 126 1.020 27.771 20.384 74.411 -99.200 -91.000 PHE 133 1.000 26.359 20.061 68.217 -99.200 -91.000 TRP 135 1.040 24.066 13.781 60.648 -99.200 -91.000 TRP6 135 1.020 23.094 11.674 61.149 -99.200 -91.000 TRP 169 1.040 13.969 10.586 55.193 -99.200 -91.000 TRP6 169 1.020 13.418 11.231 57.402 -99.200 -91.000 TRP 177 1.040 14.664 7.955 58.900 -99.200 -91.000 TRP6 177 1.020 16.286 8.373 60.581 -99.200 -91.000 PHE 178 1.000 8.761 11.807 61.715 -99.200 -91.000 TRP 180 1.040 15.628 3.531 64.757 -99.200 -91.000 TRP6 180 1.020 16.891 5.278 65.726 -99.200 -91.000 HIS 184 0.900 15.411 1.953 68.609 -99.200 -91.000 TYR 191 0.840 13.676 21.732 64.496 -99.200 -91.000 TRP 201 1.040 -1.080 20.210 50.573 -99.200 -91.000 TRP6 201 1.020 -3.019 20.132 51.927 -99.200 -91.000 TRP 230 1.040 2.538 24.872 55.589 -99.200 -91.000 TRP6 230 1.020 1.875 22.632 55.882 -99.200 -91.000 TRP 235 1.040 3.844 23.021 61.335 -99.200 -91.000 TRP6 235 1.020 4.010 20.897 60.296 -99.200 -91.000 PHE 238 1.000 9.806 23.383 67.325 -99.200 -91.000 PHE 239 1.000 4.751 27.654 61.464 -99.200 -91.000 PHE 246 1.000 7.613 36.252 57.062 -99.200 -91.000 PHE 267 1.000 13.110 34.537 64.059 -99.200 -91.000 PHE 281 1.000 22.566 37.864 64.286 -99.200 -91.000 HIS 282 0.900 16.999 47.115 64.441 -99.200 -91.000 TRP 287 1.040 10.162 39.566 65.447 -99.200 -91.000 TRP6 287 1.020 11.135 39.478 63.281 -99.200 -91.000 HIS 291 0.900 13.295 26.912 70.026 -99.200 -91.000 PHE 295 1.000 20.885 34.062 60.375 -99.200 -91.000 TRP 300 1.040 28.846 25.891 52.298 -99.200 -91.000 TRP6 300 1.020 28.147 25.146 54.424 -99.200 -91.000 TYR 312 0.840 25.350 49.016 57.455 -99.200 -91.000 TRP 316 1.040 26.763 52.483 47.634 -99.200 -91.000 TRP6 316 1.020 24.817 51.463 46.781 -99.200 -91.000