============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 11 0.840 -20.310 30.254 18.461 -99.200 -91.000 TRP 23 1.040 -7.042 32.255 7.541 -99.200 -91.000 TRP6 23 1.020 -7.933 32.517 5.362 -99.200 -91.000 TYR 25 0.840 -5.854 33.909 18.717 -99.200 -91.000 PHE 26 1.000 -3.116 31.203 15.298 -99.200 -91.000 TYR 27 0.840 -1.659 33.584 10.038 -99.200 -91.000 PHE 34 1.000 -10.502 36.602 17.462 -99.200 -91.000 PHE 35 1.000 -9.820 37.108 22.334 -99.200 -91.000 TYR 42 0.840 -19.917 40.572 18.372 -99.200 -91.000 TYR 47 0.840 -16.549 39.034 22.090 -99.200 -91.000 PHE 56 1.000 -9.683 17.814 8.846 -99.200 -91.000 PHE 72 1.000 -9.994 35.513 33.317 -99.200 -91.000 PHE 76 1.000 -9.751 33.055 38.599 -99.200 -91.000 PHE 87 1.000 -1.851 23.093 31.175 -99.200 -91.000 TYR 91 0.840 -4.724 21.703 21.311 -99.200 -91.000 TYR 101 0.840 1.088 7.295 33.402 -99.200 -91.000 TYR 106 0.840 -3.360 18.288 29.512 -99.200 -91.000 HIS 114 0.900 -6.400 18.787 41.268 -99.200 -91.000 PHE 122 1.000 0.172 22.454 46.683 -99.200 -91.000 PHE 123 1.000 8.617 16.129 49.770 -99.200 -91.000 PHE 133 1.000 16.098 33.385 48.691 -99.200 -91.000 PHE 136 1.000 17.092 33.467 39.969 -99.200 -91.000 TYR 140 0.840 18.403 32.812 36.207 -99.200 -91.000 PHE 144 1.000 21.532 38.919 34.259 -99.200 -91.000 PHE 159 1.000 16.764 36.989 29.497 -99.200 -91.000 PHE 168 1.000 16.456 20.867 32.336 -99.200 -91.000 PHE 170 1.000 16.241 28.404 39.826 -99.200 -91.000 PHE 175 1.000 11.745 22.756 40.818 -99.200 -91.000 TYR 176 0.840 13.888 17.409 39.889 -99.200 -91.000 TRP 196 1.040 7.037 16.836 25.229 -99.200 -91.000 TRP6 196 1.020 6.765 17.917 27.315 -99.200 -91.000 PHE 199 1.000 6.548 17.180 17.114 -99.200 -91.000 HIS 202 0.900 0.833 21.450 16.086 -99.200 -91.000 HIS 219 0.900 -1.786 27.938 12.823 -99.200 -91.000 PHE 221 1.000 -4.847 17.061 8.595 -99.200 -91.000 TYR 232 0.840 7.971 12.360 27.552 -99.200 -91.000 TYR 236 0.840 10.127 8.082 32.326 -99.200 -91.000 PHE 238 1.000 17.958 15.792 34.430 -99.200 -91.000 PHE 239 1.000 12.675 16.032 34.610 -99.200 -91.000 HIS 262 0.900 5.774 9.250 31.673 -99.200 -91.000 PHE 266 1.000 2.647 18.885 31.085 -99.200 -91.000 PHE 270 1.000 3.165 22.646 28.603 -99.200 -91.000 TRP 273 1.040 13.187 25.557 30.217 -99.200 -91.000 TRP6 273 1.020 12.341 25.570 27.998 -99.200 -91.000 PHE 280 1.000 12.799 34.524 35.177 -99.200 -91.000 HIS 292 0.900 18.639 54.270 30.746 -99.200 -91.000 HIS 295 0.900 16.149 50.139 33.632 -99.200 -91.000 TYR 329 0.840 2.728 40.975 43.891 -99.200 -91.000 PHE 334 1.000 1.077 46.752 30.119 -99.200 -91.000 TYR 342 0.840 -9.898 27.765 26.142 -99.200 -91.000 HIS 354 0.900 -16.756 45.724 35.050 -99.200 -91.000 PHE 358 1.000 -23.735 39.320 28.937 -99.200 -91.000 TYR 367 0.840 -10.393 32.611 25.440 -99.200 -91.000 TYR 369 0.840 -6.258 38.318 25.240 -99.200 -91.000 PHE 380 1.000 -5.709 46.183 38.305 -99.200 -91.000 PHE 386 1.000 5.752 47.592 34.046 -99.200 -91.000 PHE 391 1.000 -0.413 45.448 41.654 -99.200 -91.000 HIS 402 0.900 -10.006 43.275 41.507 -99.200 -91.000 TRP 405 1.040 0.748 35.214 38.621 -99.200 -91.000 TRP6 405 1.020 1.741 33.052 38.554 -99.200 -91.000 PHE 426 1.000 10.333 27.820 41.793 -99.200 -91.000 PHE 434 1.000 15.250 37.915 34.949 -99.200 -91.000 PHE 439 1.000 17.048 46.756 37.632 -99.200 -91.000 TYR 442 0.840 24.208 43.947 34.556 -99.200 -91.000 PHE 445 1.000 17.262 46.230 31.721 -99.200 -91.000 PHE 460 1.000 19.541 42.278 29.045 -99.200 -91.000