============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 12 1.000 -25.692 -23.861 -2.397 -99.200 -91.000 PHE 19 1.000 -25.141 -21.400 5.232 -99.200 -91.000 TYR 38 0.840 -26.580 -9.695 -1.818 -99.200 -91.000 HIS 50 0.900 -15.794 -11.542 -10.382 -99.200 -91.000 HIS 74 0.900 -22.668 -29.839 5.083 -99.200 -91.000 TRP 79 1.040 -17.001 -11.266 -1.321 -99.200 -91.000 TRP6 79 1.020 -14.658 -11.065 -1.622 -99.200 -91.000 PHE 87 1.000 -20.858 1.444 -5.377 -99.200 -91.000 TYR 89 0.840 -10.631 -0.261 -5.220 -99.200 -91.000 TYR 119 0.840 -13.772 5.201 22.478 -99.200 -91.000 PHE 128 1.000 -17.585 6.168 6.649 -99.200 -91.000 TYR 132 0.840 -23.281 14.701 8.776 -99.200 -91.000 TYR 134 0.840 -25.533 8.215 18.165 -99.200 -91.000 PHE 146 1.000 -17.689 11.268 5.076 -99.200 -91.000 TYR 166 0.840 -10.861 12.320 -0.287 -99.200 -91.000 TYR 169 0.840 -8.398 11.868 13.575 -99.200 -91.000 HIS 172 0.900 -10.969 6.429 5.983 -99.200 -91.000 PHE 173 1.000 -4.650 -1.172 9.626 -99.200 -91.000 TYR 189 0.840 -7.096 -11.829 18.063 -99.200 -91.000 TRP 202 1.040 -11.036 -3.815 21.416 -99.200 -91.000 TRP6 202 1.020 -13.190 -4.559 20.776 -99.200 -91.000 PHE 205 1.000 -0.917 0.670 23.601 -99.200 -91.000 TRP 207 1.040 1.184 0.038 19.206 -99.200 -91.000 TRP6 207 1.020 0.486 0.351 16.968 -99.200 -91.000 TYR 209 0.840 2.606 -9.217 26.366 -99.200 -91.000 PHE 217 1.000 -7.374 -11.116 12.059 -99.200 -91.000 TYR 222 0.840 -4.500 -14.473 6.744 -99.200 -91.000 PHE 230 1.000 -14.628 4.587 13.062 -99.200 -91.000 TRP 231 1.040 -7.987 6.196 18.289 -99.200 -91.000 TRP6 231 1.020 -5.685 5.999 17.799 -99.200 -91.000 PHE 239 1.000 -13.407 22.499 6.284 -99.200 -91.000 PHE 242 1.000 -5.757 25.599 1.025 -99.200 -91.000 PHE 246 1.000 -0.840 24.619 -8.759 -99.200 -91.000 TRP 279 1.040 -11.310 13.000 -9.621 -99.200 -91.000 TRP6 279 1.020 -10.653 10.769 -9.186 -99.200 -91.000 HIS 285 0.900 -22.467 16.117 -10.873 -99.200 -91.000 TYR 291 0.840 -16.672 20.170 -22.997 -99.200 -91.000 HIS 297 0.900 -6.256 10.034 -26.998 -99.200 -91.000 TRP 315 1.040 -1.588 18.424 -12.896 -99.200 -91.000 TRP6 315 1.020 -2.255 16.186 -12.518 -99.200 -91.000 TYR 318 0.840 -10.923 21.140 -5.165 -99.200 -91.000 TYR 322 0.840 -9.174 20.266 8.658 -99.200 -91.000 TRP 332 1.040 -5.154 32.115 3.901 -99.200 -91.000 TRP6 332 1.020 -5.550 30.447 2.269 -99.200 -91.000 PHE 339 1.000 0.298 26.357 -3.074 -99.200 -91.000 PHE 359 1.000 -13.916 25.831 -2.259 -99.200 -91.000 TYR 361 0.840 -16.538 16.443 -5.034 -99.200 -91.000 PHE 375 1.000 -20.874 7.009 -6.169 -99.200 -91.000 TYR 378 0.840 -18.646 5.463 -10.709 -99.200 -91.000 TRP 380 1.040 -14.862 11.320 -19.308 -99.200 -91.000 TRP6 380 1.020 -15.096 13.597 -19.909 -99.200 -91.000 TRP 388 1.040 -12.061 2.963 -7.813 -99.200 -91.000 TRP6 388 1.020 -12.189 5.218 -8.543 -99.200 -91.000 PHE 389 1.000 -2.640 1.152 -12.640 -99.200 -91.000 HIS 412 0.900 -4.396 9.489 -23.995 -99.200 -91.000 TYR 414 0.840 -5.110 -1.569 -24.458 -99.200 -91.000 TYR 418 0.840 -3.578 10.824 -15.802 -99.200 -91.000 PHE 422 1.000 -0.370 12.225 -8.935 -99.200 -91.000 HIS 430 0.900 -3.502 5.562 -0.727 -99.200 -91.000 HIS 431 0.900 -0.928 8.463 -10.560 -99.200 -91.000 TYR 437 0.840 -15.132 -0.770 -18.687 -99.200 -91.000 PHE 452 1.000 -7.073 -2.552 -13.279 -99.200 -91.000 PHE 459 1.000 1.760 3.107 -13.620 -99.200 -91.000 TYR 464 0.840 6.609 3.604 -10.376 -99.200 -91.000 TYR 467 0.840 -5.094 1.848 -1.972 -99.200 -91.000 PHE 473 1.000 -7.351 -7.159 -13.968 -99.200 -91.000 TYR 481 0.840 2.548 -5.618 -3.359 -99.200 -91.000 HIS 490 0.900 -1.356 -18.694 -0.644 -99.200 -91.000 PHE 515 1.000 2.101 -18.866 -4.397 -99.200 -91.000