============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 88 rings ring int. center anis. iso. HIS 7 0.900 -17.255 -46.122 28.855 -99.200 -91.000 HIS 14 0.900 -28.070 -47.897 9.489 -99.200 -91.000 HIS 35 0.900 -32.630 -48.006 10.138 -99.200 -91.000 PHE 46 1.000 -32.226 -61.739 22.168 -99.200 -91.000 TYR 49 0.840 -25.815 -61.615 24.049 -99.200 -91.000 PHE 59 1.000 -36.905 -47.377 11.495 -99.200 -91.000 HIS 83 0.900 -40.555 -49.491 8.965 -99.200 -91.000 PHE 94 1.000 -45.572 -56.850 24.077 -99.200 -91.000 PHE 96 1.000 -44.441 -65.884 30.921 -99.200 -91.000 HIS 104 0.900 -40.598 -46.103 22.586 -99.200 -91.000 PHE 118 1.000 -50.564 -53.184 25.231 -99.200 -91.000 HIS 131 0.900 -46.942 -42.324 11.933 -99.200 -91.000 PHE 169 1.000 -55.495 -46.041 29.679 -99.200 -91.000 PHE 187 1.000 -64.004 -34.685 20.760 -99.200 -91.000 PHE 192 1.000 -61.463 -36.084 26.301 -99.200 -91.000 HIS 193 0.900 -65.631 -35.431 33.458 -99.200 -91.000 PHE 199 1.000 -52.127 -33.987 36.034 -99.200 -91.000 PHE 202 1.000 -49.661 -32.474 23.460 -99.200 -91.000 PHE 243 1.000 -61.488 -21.762 22.621 -99.200 -91.000 TRP 248 1.040 -67.922 -25.173 35.652 -99.200 -91.000 TRP6 248 1.020 -69.273 -24.833 33.720 -99.200 -91.000 TYR 258 0.840 -48.166 -23.436 11.520 -99.200 -91.000 PHE 269 1.000 -59.187 -16.271 22.801 -99.200 -91.000 TRP 271 1.040 -66.020 -17.874 28.199 -99.200 -91.000 TRP6 271 1.020 -67.680 -16.817 29.549 -99.200 -91.000 TYR 277 0.840 -46.334 -20.537 30.254 -99.200 -91.000 PHE 278 1.000 -54.345 -17.367 23.216 -99.200 -91.000 PHE 279 1.000 -46.918 -21.527 22.649 -99.200 -91.000 TYR 282 0.840 -45.803 -19.284 10.746 -99.200 -91.000 HIS 287 0.900 -61.454 -4.230 12.929 -99.200 -91.000 PHE 289 1.000 -63.627 -7.371 15.844 -99.200 -91.000 HIS 291 0.900 -64.633 -4.786 25.348 -99.200 -91.000 HIS 294 0.900 -63.385 -8.532 29.337 -99.200 -91.000 PHE 297 1.000 -57.948 -11.860 35.317 -99.200 -91.000 TYR 301 0.840 -44.287 -17.056 24.258 -99.200 -91.000 PHE 308 1.000 -52.533 -9.263 14.104 -99.200 -91.000 PHE 324 1.000 -57.437 3.263 24.835 -99.200 -91.000 PHE 326 1.000 -51.788 -6.213 21.793 -99.200 -91.000 TRP 328 1.040 -59.032 -6.096 27.359 -99.200 -91.000 TRP6 328 1.020 -60.639 -4.816 28.570 -99.200 -91.000 HIS 334 0.900 -40.511 -13.320 24.958 -99.200 -91.000 PHE 350 1.000 -47.214 -2.075 21.152 -99.200 -91.000 TYR 358 0.840 -38.143 -10.430 23.270 -99.200 -91.000 PHE 365 1.000 -44.815 -1.769 12.988 -99.200 -91.000 PHE 376 1.000 -41.041 3.365 18.961 -99.200 -91.000 HIS 381 0.900 -47.541 5.846 32.231 -99.200 -91.000 HIS 385 0.900 -35.846 -4.218 31.833 -99.200 -91.000 PHE 402 1.000 -35.585 5.261 19.626 -99.200 -91.000 TRP 404 1.040 -42.664 8.880 24.274 -99.200 -91.000 TRP6 404 1.020 -43.846 10.603 25.424 -99.200 -91.000 HIS 407 0.900 -38.000 1.880 33.898 -99.200 -91.000 TRP 427 1.040 -28.501 8.253 20.139 -99.200 -91.000 TRP6 427 1.020 -29.618 6.581 18.867 -99.200 -91.000 PHE 434 1.000 -25.037 -4.583 27.966 -99.200 -91.000 TYR 437 0.