============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 -0.418 59.709 43.009 -99.200 -91.000 TYR 4 0.840 -3.432 65.486 48.861 -99.200 -91.000 PHE 25 1.000 24.630 68.402 53.188 -99.200 -91.000 PHE 58 1.000 14.430 78.983 47.271 -99.200 -91.000 TYR 76 0.840 27.943 74.295 59.890 -99.200 -91.000 PHE 83 1.000 19.308 77.570 62.018 -99.200 -91.000 TYR 87 0.840 21.520 78.564 68.927 -99.200 -91.000 PHE 116 1.000 20.622 55.427 67.587 -99.200 -91.000 TYR 117 0.840 23.434 52.259 74.747 -99.200 -91.000 TYR 122 0.840 32.679 58.967 76.410 -99.200 -91.000 TYR 135 0.840 23.143 80.906 73.274 -99.200 -91.000 PHE 153 1.000 26.635 48.323 74.819 -99.200 -91.000 HIS 157 0.900 33.565 54.865 78.672 -99.200 -91.000 PHE 158 1.000 30.006 52.177 71.682 -99.200 -91.000 PHE 168 1.000 0.957 66.648 59.083 -99.200 -91.000 TRP 174 1.040 14.339 63.206 38.763 -99.200 -91.000 TRP6 174 1.020 15.681 61.527 37.786 -99.200 -91.000 PHE 184 1.000 14.285 60.126 47.656 -99.200 -91.000 PHE 191 1.000 19.877 64.386 57.397 -99.200 -91.000 PHE 215 1.000 10.144 55.153 39.501 -99.200 -91.000 HIS 221 0.900 16.468 55.740 44.444 -99.200 -91.000 TYR 226 0.840 8.813 52.962 54.189 -99.200 -91.000 HIS 228 0.900 1.948 58.012 55.295 -99.200 -91.000 TYR 236 0.840 10.108 71.012 41.839 -99.200 -91.000 PHE 259 1.000 44.706 62.645 50.149 -99.200 -91.000 TYR 264 0.840 36.894 53.061 49.534 -99.200 -91.000 PHE 278 1.000 49.231 70.307 45.475 -99.200 -91.000 HIS 286 0.900 37.874 54.889 44.830 -99.200 -91.000 TYR 299 0.840 35.591 72.914 43.714 -99.200 -91.000 TYR 325 0.840 24.977 60.594 43.169 -99.200 -91.000 PHE 326 1.000 26.689 56.797 49.981 -99.200 -91.000 PHE 332 1.000 26.876 61.634 58.912 -99.200 -91.000 HIS 339 0.900 31.966 49.879 56.756 -99.200 -91.000 TYR 353 0.840 47.625 63.263 77.576 -99.200 -91.000 TRP 359 1.040 31.490 71.327 68.924 -99.200 -91.000 TRP6 359 1.020 29.364 71.880 69.690 -99.200 -91.000 HIS 389 0.900 52.898 74.749 65.815 -99.200 -91.000 HIS 396 0.900 50.902 78.532 73.490 -99.200 -91.000 PHE 422 1.000 53.765 68.710 67.499 -99.200 -91.000 TRP 436 1.040 59.403 75.344 56.964 -99.200 -91.000 TRP6 436 1.020 59.136 74.321 54.853 -99.200 -91.000 PHE 452 1.000 57.717 69.727 71.314 -99.200 -91.000