============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 4 0.900 -19.117 -32.641 -92.198 -99.200 -91.000 HIS 12 0.900 -24.712 -24.038 -91.113 -99.200 -91.000 PHE 16 1.000 -17.030 -15.895 -81.927 -99.200 -91.000 PHE 21 1.000 -13.250 -30.099 -71.192 -99.200 -91.000 HIS 30 0.900 -18.766 -22.969 -73.254 -99.200 -91.000 HIS 36 0.900 -9.257 -15.683 -85.981 -99.200 -91.000 PHE 42 1.000 -8.830 -27.004 -83.641 -99.200 -91.000 PHE 43 1.000 -10.227 -30.428 -87.369 -99.200 -91.000 PHE 49 1.000 -7.821 -28.361 -71.109 -99.200 -91.000 TRP 57 1.040 -10.240 -34.251 -65.113 -99.200 -91.000 TRP6 57 1.020 -10.773 -33.367 -67.236 -99.200 -91.000 PHE 79 1.000 -30.293 -24.265 -77.298 -99.200 -91.000 PHE 80 1.000 -23.359 -20.991 -77.575 -99.200 -91.000 TYR 100 0.840 -6.093 -36.856 -67.282 -99.200 -91.000 TYR 114 0.840 -11.836 -55.823 -71.804 -99.200 -91.000 PHE 126 1.000 -24.567 -48.777 -72.722 -99.200 -91.000 PHE 132 1.000 -36.832 -33.307 -69.488 -99.200 -91.000 PHE 133 1.000 -39.637 -33.943 -61.481 -99.200 -91.000 PHE 135 1.000 -38.885 -28.611 -60.733 -99.200 -91.000 PHE 140 1.000 -30.041 -24.401 -54.788 -99.200 -91.000 HIS 148 0.900 -33.601 -21.565 -48.397 -99.200 -91.000 TRP 158 1.040 -46.621 -26.260 -55.146 -99.200 -91.000 TRP6 158 1.020 -45.343 -28.032 -56.037 -99.200 -91.000 TYR 164 0.840 -50.696 -18.934 -60.418 -99.200 -91.000 HIS 171 0.900 -58.595 -27.261 -66.346 -99.200 -91.000 TYR 179 0.840 -47.388 -42.357 -68.080 -99.200 -91.000 PHE 180 1.000 -48.497 -41.314 -71.746 -99.200 -91.000 HIS 209 0.900 -43.483 -34.561 -77.161 -99.200 -91.000 HIS 210 0.900 -43.427 -40.154 -71.872 -99.200 -91.000 HIS 211 0.900 -46.384 -34.055 -67.303 -99.200 -91.000 PHE 225 1.000 -30.335 -48.679 -81.696 -99.200 -91.000 TYR 238 0.840 -32.701 -36.112 -73.372 -99.200 -91.000 TYR 240 0.840 -26.057 -26.547 -75.049 -99.200 -91.000 HIS 243 0.900 -29.569 -28.783 -67.787 -99.200 -91.000 HIS 247 0.900 -32.026 -19.423 -69.463 -99.200 -91.000 PHE 249 1.000 -40.278 -22.884 -75.333 -99.200 -91.000 PHE 255 1.000 -31.659 -33.589 -67.906 -99.200 -91.000 PHE 261 1.000 -41.476 -38.069 -48.810 -99.200 -91.000 HIS 269 0.900 -36.346 -46.571 -66.343 -99.200 -91.000 HIS 271 0.900 -34.821 -50.142 -73.120 -99.200 -91.000 PHE 282 1.000 -27.096 -58.686 -74.748 -99.200 -91.000 TYR 287 0.840 -37.767 -64.904 -68.291 -99.200 -91.000 TYR 296 0.840 -23.186 -67.358 -69.065 -99.200 -91.000 TYR 297 0.840 -24.114 -56.650 -70.796 -99.200 -91.000 HIS 304 0.900 -18.746 -57.203 -61.312 -99.200 -91.000 TYR 319 0.840 -27.320 -44.096 -53.583 -99.200 -91.000 TYR 326 0.840 -42.347 -42.900 -53.943 -99.200 -91.000 TYR 334 0.840 -33.109 -63.099 -65.123 -99.200 -91.000 PHE 360 1.000 -28.524 -50.458 -61.459 -99.200 -91.000 TYR 368 0.840 -18.889 -39.365 -72.483 -99.200 -91.000 PHE 371 1.000 -24.505 -44.513 -71.358 -99.200 -91.000 HIS 387 0.900 -27.847 -69.314 -64.861 -99.200 -91.000 TYR 397 0.840 -42.057 -51.064 -55.832 -99.200 -91.000 PHE 427 1.000 -16.966 -54.238 -62.565 -99.200 -91.000 PHE 434 1.000 -13.872 -47.024 -65.412 -99.200 -91.000 TYR 442 0.840 -17.119 -41.268 -59.945 -99.200 -91.000 HIS 458 0.900 -33.566 -33.485 -44.397 -99.200 -91.000 PHE 462 1.000 -33.028 -28.184 -37.221 -99.200 -91.000 TYR 465 0.840 -34.213 -36.931 -34.602 -99.200 -91.000 TYR 466 0.840 -36.266 -26.510 -31.379 -99.200 -91.000