============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. HIS 6 0.900 -28.402 37.061 -24.393 -99.200 -91.000 TYR 30 0.840 -43.911 0.410 -5.034 -99.200 -91.000 HIS 34 0.900 -45.949 11.453 -6.047 -99.200 -91.000 PHE 40 1.000 -35.755 25.154 -4.627 -99.200 -91.000 HIS 44 0.900 -38.641 27.089 -6.674 -99.200 -91.000 HIS 50 0.900 -38.486 32.038 -13.682 -99.200 -91.000 PHE 51 1.000 -40.501 21.622 -14.250 -99.200 -91.000 HIS 57 0.900 -35.034 7.958 -23.023 -99.200 -91.000 HIS 76 0.900 -22.561 14.350 -14.562 -99.200 -91.000 TYR 102 0.840 -13.531 -8.734 -34.256 -99.200 -91.000 TYR 107 0.840 -8.952 -9.098 -32.557 -99.200 -91.000 TYR 109 0.840 -0.290 -4.688 -27.360 -99.200 -91.000 HIS 111 0.900 -3.901 -12.633 -34.304 -99.200 -91.000 PHE 114 1.000 -6.170 -13.257 -29.551 -99.200 -91.000 HIS 122 0.900 -6.314 -14.828 -18.518 -99.200 -91.000 HIS 133 0.900 -19.857 1.187 -15.760 -99.200 -91.000 TYR 140 0.840 -22.346 -13.549 -24.188 -99.200 -91.000 HIS 145 0.900 -13.422 -11.757 -35.954 -99.200 -91.000 HIS 157 0.900 -10.117 -13.842 -15.150 -99.200 -91.000 TYR 160 0.840 -21.557 -13.271 -11.799 -99.200 -91.000 PHE 171 1.000 -28.469 -17.640 -9.430 -99.200 -91.000 PHE 173 1.000 -27.273 -10.619 -17.689 -99.200 -91.000 PHE 201 1.000 -16.331 -7.555 -1.102 -99.200 -91.000 TYR 207 0.840 -14.788 9.227 -10.467 -99.200 -91.000 TRP 211 1.040 -6.806 2.735 -5.424 -99.200 -91.000 TRP6 211 1.020 -5.924 1.858 -7.433 -99.200 -91.000 TRP 218 1.040 -3.024 -8.196 -8.922 -99.200 -91.000 TRP6 218 1.020 -2.441 -7.316 -11.037 -99.200 -91.000 HIS 228 0.900 -9.361 -22.968 -4.356 -99.200 -91.000 PHE 229 1.000 -17.860 -21.129 -4.446 -99.200 -91.000 HIS 230 0.900 -14.880 -28.492 -7.659 -99.200 -91.000 PHE 239 1.000 -19.724 -16.253 -3.355 -99.200 -91.000 TYR 250 0.840 -22.340 -4.289 -2.289 -99.200 -91.000 TYR 251 0.840 -23.535 -12.997 -6.764 -99.200 -91.000 PHE 254 1.000 -17.119 -16.948 -8.796 -99.200 -91.000 PHE 278 1.000 -19.687 0.327 -23.508 -99.200 -91.000 PHE 290 1.000 -4.396 -6.881 -15.417 -99.200 -91.000 PHE 295 1.000 -1.032 -0.476 -8.564 -99.200 -91.000 PHE 298 1.000 -3.654 -3.914 -5.862 -99.200 -91.000 TYR 308 0.840 -5.432 -3.883 -19.416 -99.200 -91.000 TYR 314 0.840 -10.885 1.648 -20.198 -99.200 -91.000 PHE 324 1.000 -7.225 3.516 -27.974 -99.200 -91.000 TYR 338 0.840 -16.706 27.735 -27.290 -99.200 -91.000 PHE 347 1.000 -15.842 25.574 -5.209 -99.200 -91.000 PHE 355 1.000 -13.032 16.052 -7.681 -99.200 -91.000 HIS 357 0.900 -19.750 10.259 -12.426 -99.200 -91.000 TYR 360 0.840 -12.146 11.683 -17.511 -99.200 -91.000 PHE 361 1.000 -17.807 10.173 -16.602 -99.200 -91.000 TRP 362 1.040 -19.474 20.470 -17.045 -99.200 -91.000 TRP6 362 1.020 -21.761 20.395 -16.463 -99.200 -91.000 HIS 374 0.900 -9.121 32.133 -16.327 -99.200 -91.000 PHE 377 1.000 -11.732 20.929 -11.591 -99.200 -91.000 PHE 387 1.000 -22.337 5.881 -0.979 -99.200 -91.000 TYR 411 0.840 -14.524 30.267 -7.107 -99.200 -91.000 PHE 418 1.000 -26.488 18.979 -3.562 -99.200 -91.000 HIS 426 0.900 -27.247 3.034 -9.726 -99.200 -91.000 TYR 458 0.840 -32.485 28.739 -8.555 -99.200 -91.000 HIS 464 0.900 -28.514 8.967 -14.309 -99.200 -91.000 HIS 493 0.900 -28.105 5.223 -14.410 -99.200 -91.000 PHE 501 1.000 -36.909 22.121 -10.594 -99.200 -91.000 PHE 529 1.000 -23.612 25.705 -18.620 -99.200 -91.000 PHE 535 1.000 -19.855 35.773 -21.297 -99.200 -91.000 TYR 541 0.840 -21.659 24.690 -27.090 -99.200 -91.000 TYR 547 0.840 -39.301 33.675 -24.913 -99.200 -91.000