============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 8 0.900 -16.222 -0.369 27.925 -99.200 -91.000 TYR 23 0.840 -25.261 14.342 12.271 -99.200 -91.000 PHE 27 1.000 -24.107 7.822 5.016 -99.200 -91.000 TRP 30 1.040 -25.437 -0.859 11.849 -99.200 -91.000 TRP6 30 1.020 -25.859 -0.651 9.533 -99.200 -91.000 TYR 45 0.840 -1.375 -3.990 9.445 -99.200 -91.000 PHE 50 1.000 7.826 -12.019 -4.296 -99.200 -91.000 PHE 70 1.000 -0.457 -14.987 12.361 -99.200 -91.000 HIS 78 0.900 -9.946 -11.916 11.108 -99.200 -91.000 HIS 79 0.900 -4.788 -15.916 9.939 -99.200 -91.000 HIS 83 0.900 0.574 -9.247 -4.989 -99.200 -91.000 HIS 84 0.900 1.816 -3.719 -0.869 -99.200 -91.000 TYR 90 0.840 12.270 -4.347 -4.309 -99.200 -91.000 TYR 98 0.840 -6.694 -6.833 12.888 -99.200 -91.000 TRP 99 1.040 -1.759 -11.771 19.063 -99.200 -91.000 TRP6 99 1.020 -0.759 -11.153 17.010 -99.200 -91.000 HIS 106 0.900 6.665 -9.294 25.528 -99.200 -91.000 TRP 108 1.040 2.530 -16.051 17.964 -99.200 -91.000 TRP6 108 1.020 3.343 -14.462 16.417 -99.200 -91.000 TRP 117 1.040 11.007 -17.964 10.282 -99.200 -91.000 TRP6 117 1.020 10.179 -15.890 9.504 -99.200 -91.000 TRP 118 1.040 12.194 -10.377 13.878 -99.200 -91.000 TRP6 118 1.020 11.448 -9.666 11.748 -99.200 -91.000 PHE 130 1.000 12.093 -12.912 5.592 -99.200 -91.000 PHE 131 1.000 6.739 -5.465 5.428 -99.200 -91.000 PHE 142 1.000 -10.018 -0.348 18.648 -99.200 -91.000 TYR 146 0.840 -16.729 -2.401 11.069 -99.200 -91.000 PHE 148 1.000 -19.228 -4.347 6.393 -99.200 -91.000 HIS 169 0.900 -22.932 7.673 9.724 -99.200 -91.000 TYR 171 0.840 -20.379 14.622 12.376 -99.200 -91.000 TRP 172 1.040 -16.121 16.424 5.183 -99.200 -91.000 TRP6 172 1.020 -15.145 14.513 4.182 -99.200 -91.000 PHE 179 1.000 -9.420 7.842 16.616 -99.200 -91.000 TRP 186 1.040 -6.933 19.481 22.125 -99.200 -91.000 TRP6 186 1.020 -8.704 20.191 20.723 -99.200 -91.000 HIS 211 0.900 5.237 10.915 15.137 -99.200 -91.000 TRP 223 1.040 -14.757 -6.644 -6.078 -99.200 -91.000 TRP6 223 1.020 -12.758 -5.986 -4.983 -99.200 -91.000 TYR 234 0.840 -14.908 -1.447 -5.787 -99.200 -91.000 PHE 248 1.000 -1.812 13.481 -3.553 -99.200 -91.000 TYR 259 0.840 5.403 9.635 9.316 -99.200 -91.000 PHE 263 1.000 -6.411 -0.076 -3.725 -99.200 -91.000 PHE 273 1.000 -4.189 -10.656 -7.217 -99.200 -91.000 TYR 278 0.840 -6.482 -4.771 4.283 -99.200 -91.000 HIS 282 0.900 1.573 2.309 8.864 -99.200 -91.000 TRP 283 1.040 -2.539 8.943 6.729 -99.200 -91.000 TRP6 283 1.020 -2.703 10.806 5.285 -99.200 -91.000 TRP 292 1.040 -5.509 12.848 0.788 -99.200 -91.000 TRP6 292 1.020 -6.846 10.905 0.680 -99.200 -91.000 HIS 296 0.900 -5.148 15.777 -2.644 -99.200 -91.000 HIS 299 0.900 -12.125 10.634 1.221 -99.200 -91.000 PHE 303 1.000 -18.357 12.662 0.757 -99.200 -91.000 PHE 306 1.000 -20.713 5.480 -0.985 -99.200 -91.000 PHE 307 1.000 -22.460 10.066 0.117 -99.200 -91.000 TYR 319 0.840 -13.283 -2.790 6.198 -99.200 -91.000 HIS 320 0.900 -12.853 4.945 8.639 -99.200 -91.000 PHE 325 1.000 -1.033 2.954 16.283 -99.200 -91.000 TYR 332 0.840 5.873 1.611 12.878 -99.200 -91.000 TYR 334 0.840 10.427 -1.603 8.084 -99.200 -91.000 HIS 338 0.900 11.512 -0.917 -1.510 -99.200 -91.000 HIS 353 0.900 15.730 12.722 16.615 -99.200 -91.000