============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 24 0.900 3.774 -6.032 7.424 -99.200 -91.000 TYR 25 0.840 3.317 -3.898 11.666 -99.200 -91.000 PHE 32 1.000 -8.657 -1.592 13.720 -99.200 -91.000 HIS 42 0.900 3.620 17.012 -3.629 -99.200 -91.000 TYR 52 0.840 -0.358 2.791 -0.652 -99.200 -91.000 HIS 58 0.900 -6.215 10.744 -2.575 -99.200 -91.000 HIS 73 0.900 -1.021 33.557 15.188 -99.200 -91.000 PHE 76 1.000 4.491 31.311 14.073 -99.200 -91.000 TYR 79 0.840 2.571 25.867 13.243 -99.200 -91.000 TYR 80 0.840 -3.900 31.350 11.251 -99.200 -91.000 HIS 85 0.900 -6.221 17.803 5.697 -99.200 -91.000 TYR 86 0.840 -5.357 17.378 12.555 -99.200 -91.000 TRP 88 1.040 -13.488 18.951 4.116 -99.200 -91.000 TRP6 88 1.020 -12.509 17.005 3.189 -99.200 -91.000 PHE 94 1.000 -15.448 11.528 14.539 -99.200 -91.000 HIS 95 0.900 -20.379 16.431 11.446 -99.200 -91.000 PHE 97 1.000 -15.893 8.526 4.598 -99.200 -91.000 TYR 99 0.840 -16.131 5.168 9.325 -99.200 -91.000 PHE 115 1.000 -2.015 2.738 15.020 -99.200 -91.000 PHE 116 1.000 -3.877 -1.254 12.285 -99.200 -91.000 TYR 118 0.840 -2.428 1.827 22.822 -99.200 -91.000 PHE 119 1.000 -4.768 3.794 18.982 -99.200 -91.000 TYR 123 0.840 -14.673 2.105 20.460 -99.200 -91.000 TRP 133 1.040 -9.036 14.623 26.475 -99.200 -91.000 TRP6 133 1.020 -9.347 16.803 25.608 -99.200 -91.000 TRP 138 1.040 4.677 11.142 21.447 -99.200 -91.000 TRP6 138 1.020 5.955 10.539 19.543 -99.200 -91.000 TYR 156 0.840 2.956 4.568 32.960 -99.200 -91.000 PHE 160 1.000 1.863 17.768 27.179 -99.200 -91.000 PHE 161 1.000 -4.399 15.579 22.116 -99.200 -91.000 TRP 166 1.040 -5.008 12.527 18.090 -99.200 -91.000 TRP6 166 1.020 -7.063 13.599 18.585 -99.200 -91.000 TRP 173 1.040 -15.861 16.453 14.746 -99.200 -91.000 TRP6 173 1.020 -13.985 17.889 14.698 -99.200 -91.000 TRP 180 1.040 -10.524 22.729 14.535 -99.200 -91.000 TRP6 180 1.020 -9.844 20.925 15.918 -99.200 -91.000 PHE 184 1.000 0.041 28.328 16.379 -99.200 -91.000 TRP 185 1.040 -4.229 20.277 15.480 -99.200 -91.000 TRP6 185 1.020 -4.462 18.350 16.826 -99.200 -91.000 TRP 188 1.040 -8.676 25.571 21.103 -99.200 -91.000 TRP6 188 1.020 -10.136 23.781 20.584 -99.200 -91.000 PHE 211 1.000 7.897 8.777 8.280 -99.200 -91.000 HIS 218 0.900 10.496 27.011 11.259 -99.200 -91.000 PHE 221 1.000 9.002 19.110 20.700 -99.200 -91.000 PHE 222 1.000 12.217 14.450 13.403 -99.200 -91.000 HIS 225 0.900 11.026 14.886 23.476 -99.200 -91.000 PHE 228 1.000 17.497 11.943 19.747 -99.200 -91.000 PHE 235 1.000 0.308 -8.154 18.557 -99.200 -91.000 PHE 238 1.000 -1.212 -3.009 24.663 -99.200 -91.000 TYR 245 0.840 -3.471 -1.233 33.996 -99.200 -91.000 TYR 251 0.840 -3.369 5.509 36.475 -99.200 -91.000 PHE 255 1.000 0.978 5.779 38.485 -99.200 -91.000 TYR 260 0.840 2.126 11.818 45.916 -99.200 -91.000 TYR 285 0.840 6.916 18.904 40.336 -99.200 -91.000 PHE 291 1.000 8.301 19.943 35.470 -99.200 -91.000 PHE 294 1.000 14.598 18.934 41.745 -99.200 -91.000 TYR 313 0.840 -3.713 10.891 36.260 -99.200 -91.000 PHE 319 1.000 11.767 10.291 34.866 -99.200 -91.000 PHE 321 1.000 18.464 9.373 35.134 -99.200 -91.000 HIS 327 0.900 6.290 6.828 39.987 -99.200 -91.000 TRP 334 1.040 -0.708 18.890 41.376 -99.200 -91.000 TRP6 334 1.020 -2.705 18.157 40.336 -99.200 -91.000 TYR 337 0.840 -1.839 19.441 35.817 -99.200 -91.000 TRP 341 1.040 3.838 26.169 38.233 -99.200 -91.000 TRP6 341 1.020 5.116 24.318 39.000 -99.200 -91.000