============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 15 0.840 18.003 20.169 26.506 -99.200 -91.000 PHE 58 1.000 13.435 15.554 16.182 -99.200 -91.000 PHE 70 1.000 28.232 8.521 31.735 -99.200 -91.000 HIS 82 0.900 31.933 7.564 36.146 -99.200 -91.000 PHE 83 1.000 31.075 -3.264 36.450 -99.200 -91.000 TYR 92 0.840 27.620 -7.879 41.241 -99.200 -91.000 HIS 107 0.900 23.475 13.001 20.957 -99.200 -91.000 PHE 111 1.000 19.678 21.201 21.577 -99.200 -91.000 HIS 117 0.900 15.012 4.561 40.403 -99.200 -91.000 PHE 119 1.000 16.977 -1.420 40.505 -99.200 -91.000 HIS 141 0.900 13.497 10.613 45.346 -99.200 -91.000 TRP 164 1.040 22.037 18.055 47.344 -99.200 -91.000 TRP6 164 1.020 23.434 18.261 45.437 -99.200 -91.000 HIS 169 0.900 26.413 16.037 57.388 -99.200 -91.000 PHE 171 1.000 17.216 10.349 56.200 -99.200 -91.000 HIS 182 0.900 30.149 18.919 34.909 -99.200 -91.000 HIS 187 0.900 26.387 19.736 19.254 -99.200 -91.000 HIS 207 0.900 31.965 24.686 42.816 -99.200 -91.000 PHE 212 1.000 21.641 26.721 40.621 -99.200 -91.000 HIS 215 0.900 15.524 31.650 28.296 -99.200 -91.000 TYR 218 0.840 22.542 24.376 36.131 -99.200 -91.000 TYR 241 0.840 39.107 5.926 28.623 -99.200 -91.000 TYR 249 0.840 51.044 14.081 21.684 -99.200 -91.000 PHE 259 1.000 40.238 4.537 20.444 -99.200 -91.000 PHE 260 1.000 41.904 12.930 17.328 -99.200 -91.000 PHE 267 1.000 31.584 6.418 20.097 -99.200 -91.000 PHE 272 1.000 34.754 6.927 23.600 -99.200 -91.000 PHE 277 1.000 36.040 2.673 19.498 -99.200 -91.000 HIS 291 0.900 50.898 11.879 24.581 -99.200 -91.000 PHE 297 1.000 33.226 10.785 31.952 -99.200 -91.000 TYR 301 0.840 34.839 -0.307 42.950 -99.200 -91.000 PHE 307 1.000 24.429 -1.529 51.582 -99.200 -91.000 PHE 311 1.000 17.157 8.116 44.050 -99.200 -91.000 PHE 313 1.000 16.722 16.646 39.563 -99.200 -91.000 PHE 330 1.000 12.265 7.271 46.469 -99.200 -91.000 TYR 335 0.840 13.648 2.497 49.142 -99.200 -91.000