============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 11 1.000 -4.132 62.070 -5.387 -99.200 -91.000 PHE 40 1.000 1.279 49.132 -3.899 -99.200 -91.000 PHE 42 1.000 2.563 55.107 -1.225 -99.200 -91.000 TYR 51 0.840 4.840 49.511 0.013 -99.200 -91.000 PHE 67 1.000 16.471 42.051 -5.540 -99.200 -91.000 PHE 77 1.000 11.912 58.379 10.908 -99.200 -91.000 PHE 81 1.000 14.043 53.365 20.011 -99.200 -91.000 PHE 87 1.000 13.938 44.678 13.527 -99.200 -91.000 TRP 90 1.040 22.589 50.245 6.981 -99.200 -91.000 TRP6 90 1.020 21.056 50.478 5.177 -99.200 -91.000 HIS 92 0.900 26.442 47.964 4.161 -99.200 -91.000 TRP 96 1.040 23.440 41.146 10.964 -99.200 -91.000 TRP6 96 1.020 24.121 39.391 9.544 -99.200 -91.000 HIS 100 0.900 23.731 35.315 12.015 -99.200 -91.000 PHE 107 1.000 17.938 33.785 20.366 -99.200 -91.000 TYR 115 0.840 17.154 30.586 26.127 -99.200 -91.000 HIS 116 0.900 9.708 23.928 29.050 -99.200 -91.000 TRP 130 1.040 -5.645 35.539 32.230 -99.200 -91.000 TRP6 130 1.020 -5.437 34.505 30.118 -99.200 -91.000 HIS 138 0.900 -13.058 43.173 31.060 -99.200 -91.000 PHE 158 1.000 18.319 40.500 27.779 -99.200 -91.000 TYR 160 0.840 15.668 43.970 35.849 -99.200 -91.000 PHE 162 1.000 11.930 43.757 31.917 -99.200 -91.000 PHE 165 1.000 1.615 37.890 34.170 -99.200 -91.000 TYR 166 0.840 4.205 40.186 41.682 -99.200 -91.000 HIS 171 0.900 7.973 46.724 33.883 -99.200 -91.000 PHE 173 1.000 11.513 48.072 27.372 -99.200 -91.000 PHE 194 1.000 9.609 59.140 18.730 -99.200 -91.000 HIS 222 0.900 26.047 32.568 25.221 -99.200 -91.000 TYR 242 0.840 23.217 51.475 20.009 -99.200 -91.000 PHE 247 1.000 18.556 39.656 20.790 -99.200 -91.000 HIS 252 0.900 7.977 43.684 24.324 -99.200 -91.000 PHE 261 1.000 -3.439 39.970 15.003 -99.200 -91.000 TYR 264 0.840 -10.345 38.080 15.949 -99.200 -91.000 PHE 265 1.000 -7.459 35.135 12.829 -99.200 -91.000 HIS 271 0.900 -17.751 23.574 14.826 -99.200 -91.000 TYR 291 0.840 12.628 21.814 24.436 -99.200 -91.000 TYR 299 0.840 -5.842 22.078 15.048 -99.200 -91.000 TRP 311 1.040 -4.870 39.733 10.566 -99.200 -91.000 TRP6 311 1.020 -4.644 41.501 9.007 -99.200 -91.000 PHE 317 1.000 10.797 40.382 4.441 -99.200 -91.000 TYR 320 0.840 20.906 47.304 -0.197 -99.200 -91.000 TYR 331 0.840 7.290 44.858 -13.046 -99.200 -91.000 HIS 347 0.900 2.326 35.094 5.408 -99.200 -91.000 TRP 353 1.040 -1.044 30.986 1.172 -99.200 -91.000 TRP6 353 1.020 -0.227 29.416 2.772 -99.200 -91.000 PHE 360 1.000 -7.004 30.398 12.942 -99.200 -91.000 PHE 365 1.000 0.741 27.233 8.016 -99.200 -91.000 HIS 374 0.900 12.214 32.280 -0.661 -99.200 -91.000 PHE 376 1.000 3.890 30.666 7.550 -99.200 -91.000 PHE 379 1.000 8.649 33.466 12.948 -99.200 -91.000 PHE 391 1.000 12.800 33.210 24.187 -99.200 -91.000 HIS 394 0.900 9.578 25.496 23.959 -99.200 -91.000 HIS 406 0.900 -4.229 24.724 33.833 -99.200 -91.000 PHE 407 1.000 -7.569 29.966 32.864 -99.200 -91.000 PHE 409 1.000 -9.174 31.159 27.137 -99.200 -91.000 HIS 412 0.900 -16.507 40.017 27.807 -99.200 -91.000 TYR 415 0.840 -11.581 42.810 19.370 -99.200 -91.000 PHE 430 1.000 -9.310 38.628 21.652 -99.200 -91.000