============================================================================= 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 2 0.840 -13.133 -11.974 -17.225 -99.200 -91.000 PHE 10 1.000 -9.553 -8.525 -12.595 -99.200 -91.000 TYR 12 0.840 -3.772 -14.127 -8.383 -99.200 -91.000 TYR 19 0.840 -9.480 -19.083 2.570 -99.200 -91.000 TYR 39 0.840 -8.473 -16.541 13.565 -99.200 -91.000 PHE 41 1.000 -4.574 -14.500 19.735 -99.200 -91.000 TYR 42 0.840 -5.060 -22.701 19.197 -99.200 -91.000 PHE 49 1.000 1.380 -16.145 7.847 -99.200 -91.000 PHE 62 1.000 -4.803 -11.266 13.590 -99.200 -91.000 PHE 70 1.000 0.668 -13.711 12.083 -99.200 -91.000 PHE 83 1.000 -7.322 -2.624 18.486 -99.200 -91.000 TRP 91 1.040 -9.581 -6.841 39.451 -99.200 -91.000 TRP6 91 1.020 -11.078 -5.200 40.232 -99.200 -91.000 TRP 96 1.040 -2.093 9.146 35.635 -99.200 -91.000 TRP6 96 1.020 -1.696 6.927 34.908 -99.200 -91.000 TRP 102 1.040 4.895 10.435 38.388 -99.200 -91.000 TRP6 102 1.020 4.303 8.439 37.281 -99.200 -91.000 TYR 121 0.840 1.393 0.046 36.218 -99.200 -91.000 TYR 128 0.840 4.338 -7.277 44.750 -99.200 -91.000 PHE 131 1.000 3.673 2.819 42.908 -99.200 -91.000 HIS 162 0.900 5.625 -0.544 7.950 -99.200 -91.000 PHE 171 1.000 1.866 -5.166 18.641 -99.200 -91.000 PHE 173 1.000 8.925 -7.654 15.490 -99.200 -91.000 HIS 177 0.900 18.797 -12.825 13.262 -99.200 -91.000 PHE 178 1.000 19.651 -8.232 8.756 -99.200 -91.000 PHE 197 1.000 12.604 -5.626 17.223 -99.200 -91.000 TRP 204 1.040 25.410 -12.291 20.107 -99.200 -91.000 TRP6 204 1.020 25.255 -10.761 21.893 -99.200 -91.000 TYR 209 0.840 17.270 -0.246 12.457 -99.200 -91.000 TYR 217 0.840 -2.307 4.260 29.418 -99.200 -91.000 PHE 225 1.000 16.044 -3.107 20.609 -99.200 -91.000 PHE 232 1.000 33.171 -3.383 14.376 -99.200 -91.000 PHE 241 1.000 8.769 3.758 21.135 -99.200 -91.000 TYR 244 0.840 1.000 8.634 28.988 -99.200 -91.000 TRP 254 1.040 15.261 -7.059 29.076 -99.200 -91.000 TRP6 254 1.020 14.375 -8.492 30.726 -99.200 -91.000 TYR 266 0.840 28.212 -6.002 23.649 -99.200 -91.000 PHE 270 1.000 19.351 2.088 22.378 -99.200 -91.000 TYR 277 0.840 4.218 12.887 32.273 -99.200 -91.000 TRP 280 1.040 10.083 0.671 38.049 -99.200 -91.000 TRP6 280 1.020 11.699 0.040 39.649 -99.200 -91.000 PHE 283 1.000 15.533 7.209 25.867 -99.200 -91.000 TYR 301 0.840 33.518 -8.802 24.730 -99.200 -91.000 TYR 306 0.840 35.923 -5.497 27.424 -99.200 -91.000 HIS 309 0.900 27.721 -1.688 36.664 -99.200 -91.000 HIS 315 0.900 24.116 0.101 23.112 -99.200 -91.000 PHE 330 1.000 21.007 8.581 28.917 -99.200 -91.000 TYR 338 0.840 33.571 9.777 22.138 -99.200 -91.000 TYR 353 0.840 22.726 5.411 39.577 -99.200 -91.000 HIS 357 0.900 37.093 4.210 34.019 -99.200 -91.000 PHE 361 1.000 28.206 10.530 29.908 -99.200 -91.000 PHE 374 1.000 10.992 8.623 44.786 -99.200 -91.000 TYR 380 0.840 27.123 7.709 41.078 -99.200 -91.000 PHE 442 1.000 21.060 42.684 34.433 -99.200 -91.000 TYR 444 0.840 21.960 40.386 44.067 -99.200 -91.000 HIS 454 0.900 33.263 23.449 45.764 -99.200 -91.000 TYR 466 0.840 31.965 41.013 47.035 -99.200 -91.000 HIS 468 0.900 30.650 45.899 47.309 -99.200 -91.000 TYR 479 0.840 33.027 49.846 48.286 -99.200 -91.000 HIS 499 0.900 34.018 52.929 51.779 -99.200 -91.000 PHE 509 1.000 46.452 48.709 60.418 -99.200 -91.000 PHE 518 1.000 51.637 36.569 60.822 -99.200 -91.000 PHE 525 1.000 54.994 48.240 51.898 -99.200 -91.000 TYR 528 0.840 54.982 44.983 62.266 -99.200 -91.000 TRP 529 1.040 47.955 49.298 65.972 -99.200 -91.000 TRP6 529 1.020 48.118 51.450 65.015 -99.200 -91.000