============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 14 0.900 -34.067 -48.845 37.016 -99.200 -91.000 TRP 33 1.040 -31.248 -48.689 28.438 -99.200 -91.000 TRP6 33 1.020 -30.712 -47.434 26.506 -99.200 -91.000 PHE 34 1.000 -30.936 -57.048 27.212 -99.200 -91.000 HIS 40 0.900 -30.646 -48.558 18.195 -99.200 -91.000 PHE 41 1.000 -22.587 -54.743 21.313 -99.200 -91.000 HIS 51 0.900 -6.833 -49.366 -1.836 -99.200 -91.000 TYR 58 0.840 -12.972 -33.968 7.417 -99.200 -91.000 PHE 61 1.000 -5.271 -27.766 -5.085 -99.200 -91.000 HIS 65 0.900 3.261 -22.470 -9.644 -99.200 -91.000 TYR 70 0.840 -2.376 -26.281 -21.135 -99.200 -91.000 PHE 76 1.000 -7.110 -28.050 -10.712 -99.200 -91.000 PHE 86 1.000 -11.980 -37.873 4.621 -99.200 -91.000 PHE 89 1.000 -2.870 -40.051 2.901 -99.200 -91.000 PHE 108 1.000 -1.578 -39.175 -1.891 -99.200 -91.000 PHE 112 1.000 -8.581 -32.454 -4.472 -99.200 -91.000 TYR 113 0.840 -15.610 -32.285 1.106 -99.200 -91.000 TRP 119 1.040 -11.286 -34.414 -9.296 -99.200 -91.000 TRP6 119 1.020 -9.250 -33.228 -9.093 -99.200 -91.000 PHE 129 1.000 -3.908 -51.980 -9.603 -99.200 -91.000 PHE 130 1.000 0.140 -55.307 -8.519 -99.200 -91.000 PHE 137 1.000 -9.454 -54.368 -8.377 -99.200 -91.000 HIS 142 0.900 -11.961 -63.712 -6.093 -99.200 -91.000 TRP 159 1.040 5.107 -64.202 -5.693 -99.200 -91.000 TRP6 159 1.020 6.248 -62.532 -6.910 -99.200 -91.000 PHE 161 1.000 -4.079 -62.185 -11.275 -99.200 -91.000 TRP 162 1.040 1.009 -60.021 -8.721 -99.200 -91.000 TRP6 162 1.020 2.296 -59.454 -6.813 -99.200 -91.000 HIS 170 0.900 6.316 -49.488 -14.713 -99.200 -91.000 TYR 185 0.840 -1.421 -44.412 5.747 -99.200 -91.000 HIS 187 0.900 7.706 -39.195 6.469 -99.200 -91.000 HIS 189 0.900 6.882 -38.581 -3.963 -99.200 -91.000 PHE 191 1.000 2.961 -41.205 -8.200 -99.200 -91.000 HIS 194 0.900 -6.945 -45.525 -14.016 -99.200 -91.000 PHE 196 1.000 -8.171 -39.779 -13.794 -99.200 -91.000 PHE 198 1.000 -6.360 -30.700 -16.033 -99.200 -91.000 TYR 206 0.840 -5.175 -28.918 -24.012 -99.200 -91.000 TRP 207 1.040 -5.639 -37.739 -24.533 -99.200 -91.000 TRP6 207 1.020 -7.832 -38.433 -23.956 -99.200 -91.000 PHE 210 1.000 -5.574 -35.044 -12.347 -99.200 -91.000 HIS 211 0.900 2.926 -37.251 -12.172 -99.200 -91.000 PHE 212 1.000 -2.538 -35.055 -5.920 -99.200 -91.000 HIS 237 0.900 2.407 -46.964 8.295 -99.200 -91.000 PHE 250 1.000 -1.735 -28.503 11.005 -99.200 -91.000 TRP 253 1.040 1.563 -35.867 -0.266 -99.200 -91.000 TRP6 253 1.020 0.593 -36.003 1.900 -99.200 -91.000 TYR 270 0.840 4.899 -42.692 -24.136 -99.200 -91.000 PHE 273 1.000 -5.625 -42.843 -24.321 -99.200 -91.000 TRP 279 1.040 1.356 -40.348 -20.497 -99.200 -91.000 TRP6 279 1.020 -0.013 -38.423 -20.416 -99.200 -91.000 HIS 281 0.900 8.235 -37.547 -14.673 -99.200 -91.000 TYR 284 0.840 3.697 -35.687 -23.562 -99.200 -91.000 PHE 292 1.000 -3.155 -33.214 -0.477 -99.200 -91.000 TYR 301 0.840 -11.405 -44.968 11.153 -99.200 -91.000 PHE 302 1.000 -19.860 -46.465 11.297 -99.200 -91.000 PHE 310 1.000 -12.111 -40.827 -0.557 -99.200 -91.000 PHE 321 1.000 -15.312 -39.858 -16.212 -99.200 -91.000 PHE 332 1.000 -21.007 -51.932 -12.364 -99.200 -91.000 TYR 334 0.840 -13.556 -47.249 -7.131 -99.200 -91.000 TYR 340 0.840 -23.212 -55.431 -0.241 -99.200 -91.000 HIS 346 0.900 -23.129 -43.807 -1.304 -99.200 -91.000 HIS 348 0.900 -29.036 -37.448 0.886 -99.200 -91.000 HIS 359 0.900 -33.235 -29.165 -7.347 -99.200 -91.000 TYR 361 0.840 -34.980 -37.649 -11.363 -99.200 -91.000 HIS 362 0.900 -30.087 -39.681 -8.333 -99.200 -91.000 PHE 373 1.000 -34.414 -33.699 -4.114 -99.200 -91.000 TYR 379 0.840 -43.993 -34.975 -14.353 -99.200 -91.000 TRP 387 1.040 -36.770 -32.975 -10.851 -99.200 -91.000 TRP6 387 1.020 -35.542 -32.735 -8.832 -99.200 -91.000 PHE 393 1.000 -21.797 -26.120 -16.019 -99.200 -91.000 HIS 406 0.900 -15.562 -58.942 -25.349 -99.200 -91.000 TRP 407 1.040 -11.234 -53.850 -30.572 -99.200 -91.000 TRP6 407 1.020 -10.517 -54.398 -32.768 -99.200 -91.000 HIS 409 0.900 -3.890 -56.989 -22.140 -99.200 -91.000 TYR 415 0.840 3.296 -58.182 -22.328 -99.200 -91.000 PHE 416 1.000 8.770 -58.896 -20.560 -99.200 -91.000 PHE 423 1.000 17.993 -53.964 -12.244 -99.200 -91.000 PHE 435 1.000 19.093 -57.681 -7.788 -99.200 -91.000 HIS 453 0.900 9.052 -61.803 -10.637 -99.200 -91.000 HIS 456 0.900 7.234 -62.799 -17.261 -99.200 -91.000 TYR 458 0.840 18.433 -62.732 -19.075 -99.200 -91.000 TYR 464 0.840 13.839 -56.836 -11.816 -99.200 -91.000 PHE 474 1.000 15.388 -70.568 -9.815 -99.200 -91.000 TYR 479 0.840 18.148 -66.581 -14.758 -99.200 -91.000