============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 8 1.000 -38.900 20.724 12.629 -99.200 -91.000 TRP 17 1.040 -38.777 22.900 6.487 -99.200 -91.000 TRP6 17 1.020 -38.555 20.745 7.424 -99.200 -91.000 HIS 20 0.900 -49.691 21.375 -3.374 -99.200 -91.000 TYR 22 0.840 -53.468 28.962 1.531 -99.200 -91.000 TRP 26 1.040 -47.342 17.032 5.771 -99.200 -91.000 TRP6 26 1.020 -46.402 15.311 7.082 -99.200 -91.000 TYR 39 0.840 -41.457 25.626 17.829 -99.200 -91.000 TYR 41 0.840 -43.488 21.748 9.624 -99.200 -91.000 TRP 54 1.040 -47.089 15.966 -2.046 -99.200 -91.000 TRP6 54 1.020 -45.177 14.781 -2.753 -99.200 -91.000 TRP 59 1.040 -32.071 24.701 -3.332 -99.200 -91.000 TRP6 59 1.020 -30.063 25.912 -3.603 -99.200 -91.000 TYR 61 0.840 -23.923 25.768 -1.651 -99.200 -91.000 PHE 69 1.000 -24.948 8.241 4.850 -99.200 -91.000 PHE 74 1.000 -41.234 7.720 11.642 -99.200 -91.000 PHE 82 1.000 -56.961 7.541 14.302 -99.200 -91.000 PHE 93 1.000 -43.249 9.604 7.320 -99.200 -91.000 TYR 96 0.840 -42.358 11.099 -3.278 -99.200 -91.000 TYR 97 0.840 -33.608 12.473 -4.634 -99.200 -91.000 TYR 104 0.840 -37.008 25.045 -9.211 -99.200 -91.000 PHE 108 1.000 -44.360 20.299 -3.464 -99.200 -91.000 PHE 113 1.000 -39.900 17.565 -4.401 -99.200 -91.000 PHE 130 1.000 -53.326 9.021 22.103 -99.200 -91.000 HIS 134 0.900 -44.068 4.740 26.277 -99.200 -91.000 PHE 152 1.000 -30.082 18.036 -0.296 -99.200 -91.000 TYR 153 0.840 -36.287 22.846 -3.074 -99.200 -91.000 PHE 156 1.000 -39.883 14.977 5.336 -99.200 -91.000 TYR 171 0.840 -25.582 12.040 8.953 -99.200 -91.000 TYR 172 0.840 -20.747 16.930 3.607 -99.200 -91.000 HIS 184 0.900 -2.389 17.610 7.961 -99.200 -91.000 PHE 185 1.000 -2.048 10.604 5.462 -99.200 -91.000 HIS 207 0.900 12.574 19.902 12.480 -99.200 -91.000 HIS 218 0.900 -5.368 3.886 -0.267 -99.200 -91.000 TRP 225 1.040 -8.589 9.022 7.276 -99.200 -91.000 TRP6 225 1.020 -8.121 10.094 5.228 -99.200 -91.000 TYR 238 0.840 15.142 16.686 13.989 -99.200 -91.000 PHE 252 1.000 20.181 9.830 25.327 -99.200 -91.000 PHE 253 1.000 24.781 7.701 18.317 -99.200 -91.000 PHE 255 1.000 25.746 8.444 10.046 -99.200 -91.000 HIS 268 0.900 37.545 5.633 26.122 -99.200 -91.000 PHE 285 1.000 41.470 7.622 23.674 -99.200 -91.000 PHE 286 1.000 42.868 10.234 16.552 -99.200 -91.000 HIS 305 0.900 54.385 -7.426 25.997 -99.200 -91.000 TYR 306 0.840 56.617 -10.437 25.372 -99.200 -91.000 TRP 320 1.040 54.286 -10.258 14.679 -99.200 -91.000 TRP6 320 1.020 55.219 -10.799 12.580 -99.200 -91.000 TYR 334 0.840 50.622 -7.936 13.886 -99.200 -91.000 TRP 342 1.040 79.827 -6.428 5.004 -99.200 -91.000 TRP6 342 1.020 79.636 -6.535 2.656 -99.200 -91.000 TYR 356 0.840 60.039 -9.816 3.936 -99.200 -91.000 HIS 361 0.900 54.526 -3.654 3.127 -99.200 -91.000 HIS 376 0.900 80.497 -10.759 8.848 -99.200 -91.000 TYR 379 0.840 70.380 -9.334 5.898 -99.200 -91.000 PHE 381 1.000 64.850 -9.244 8.924 -99.200 -91.000 PHE 398 1.000 59.509 1.607 15.052 -99.200 -91.000 TRP 421 1.040 82.054 -29.928 22.447 -99.200 -91.000 TRP6 421 1.020 81.462 -31.984 23.442 -99.200 -91.000 TRP 432 1.040 73.792 -22.704 32.503 -99.200 -91.000 TRP6 432 1.020 74.661 -20.969 33.842 -99.200 -91.000 TYR 434 0.840 79.837 -26.524 24.920 -99.200 -91.000 TYR 438 0.840 73.979 -40.990 22.888 -99.200 -91.000 TYR 445 0.840 65.799 -37.699 21.048 -99.200 -91.000 PHE 453 1.000 85.022 -26.483 25.320 -99.200 -91.000 TYR 466 0.840 75.089 -45.481 17.719 -99.200 -91.000 HIS 482 0.900 79.532 -33.683 12.724 -99.200 -91.000 PHE 484 1.000 81.208 -38.570 14.609 -99.200 -91.000