============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 -43.846 -13.911 33.690 -99.200 -91.000 TYR 31 0.840 -28.995 -14.714 38.056 -99.200 -91.000 TYR 36 0.840 -32.282 -18.402 33.117 -99.200 -91.000 TYR 37 0.840 -34.140 -17.074 25.250 -99.200 -91.000 PHE 38 1.000 -38.780 -14.696 31.631 -99.200 -91.000 TRP 40 1.040 -45.692 -11.190 28.853 -99.200 -91.000 TRP6 40 1.020 -43.348 -10.929 29.031 -99.200 -91.000 TYR 42 0.840 -52.394 -12.479 19.931 -99.200 -91.000 PHE 57 1.000 -40.393 -8.779 18.741 -99.200 -91.000 PHE 66 1.000 -26.419 -6.641 15.916 -99.200 -91.000 TYR 89 0.840 -10.885 4.800 4.930 -99.200 -91.000 TRP 90 1.040 -17.886 9.639 -0.791 -99.200 -91.000 TRP6 90 1.020 -19.930 10.183 0.277 -99.200 -91.000 TRP 98 1.040 -17.628 16.928 4.429 -99.200 -91.000 TRP6 98 1.020 -18.481 15.299 5.915 -99.200 -91.000 HIS 105 0.900 -14.068 14.436 14.817 -99.200 -91.000 TYR 109 0.840 -24.266 8.896 17.621 -99.200 -91.000 PHE 131 1.000 -27.591 14.758 4.095 -99.200 -91.000 TYR 132 0.840 -23.496 12.245 4.383 -99.200 -91.000 TRP 135 1.040 -23.851 18.892 7.899 -99.200 -91.000 TRP6 135 1.020 -21.643 18.444 8.621 -99.200 -91.000 TRP 139 1.040 -22.639 23.229 17.284 -99.200 -91.000 TRP6 139 1.020 -23.949 21.259 17.257 -99.200 -91.000 TYR 147 0.840 -29.193 8.537 18.269 -99.200 -91.000 PHE 155 1.000 -17.470 3.837 12.075 -99.200 -91.000 PHE 167 1.000 -23.429 -1.885 7.396 -99.200 -91.000 PHE 176 1.000 -26.054 -9.705 11.283 -99.200 -91.000 HIS 183 0.900 -32.878 -18.543 12.890 -99.200 -91.000 TRP 185 1.040 -32.999 -12.839 9.044 -99.200 -91.000 TRP6 185 1.020 -31.621 -14.354 7.863 -99.200 -91.000 TYR 196 0.840 -40.265 -7.922 9.248 -99.200 -91.000 TRP 198 1.040 -47.533 -7.641 9.736 -99.200 -91.000 TRP6 198 1.020 -47.076 -6.222 7.903 -99.200 -91.000 TYR 200 0.840 -49.774 -4.433 15.024 -99.200 -91.000 HIS 207 0.900 -43.284 -5.664 8.385 -99.200 -91.000 TYR 218 0.840 -33.286 3.723 9.474 -99.200 -91.000 TRP 230 1.040 -25.637 -7.419 19.774 -99.200 -91.000 TRP6 230 1.020 -23.596 -7.524 18.580 -99.200 -91.000 TYR 256 0.840 -13.969 5.289 21.097 -99.200 -91.000 TRP 257 1.040 -16.314 11.649 21.414 -99.200 -91.000 TRP6 257 1.020 -14.968 13.552 21.018 -99.200 -91.000 TYR 263 0.840 -17.921 8.077 31.068 -99.200 -91.000 TRP 268 1.040 -22.494 -1.999 22.505 -99.200 -91.000 TRP6 268 1.020 -24.631 -2.807 23.122 -99.200 -91.000 TRP 273 1.040 -23.867 -1.666 38.626 -99.200 -91.000 TRP6 273 1.020 -26.174 -1.295 38.258 -99.200 -91.000 TRP 309 1.040 -27.618 0.930 32.116 -99.200 -91.000 TRP6 309 1.020 -29.049 -0.562 33.266 -99.200 -91.000 HIS 311 0.900 -28.330 3.082 28.122 -99.200 -91.000 PHE 319 1.000 -41.433 -4.125 14.823 -99.200 -91.000 TYR 322 0.840 -32.829 -0.048 27.583 -99.200 -91.000 PHE 325 1.000 -23.535 -5.149 27.385 -99.200 -91.000 TYR 341 0.840 -42.093 0.242 25.336 -99.200 -91.000 TRP 351 1.040 -33.346 0.614 38.684 -99.200 -91.000 TRP6 351 1.020 -31.148 0.941 39.480 -99.200 -91.000