============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 10 0.900 17.526 39.776 -9.651 -99.200 -91.000 PHE 11 1.000 17.368 32.924 -3.692 -99.200 -91.000 PHE 12 1.000 8.978 30.369 -6.222 -99.200 -91.000 TYR 15 0.840 10.754 29.063 3.704 -99.200 -91.000 HIS 23 0.900 9.708 15.475 0.733 -99.200 -91.000 TYR 29 0.840 7.376 18.363 -3.428 -99.200 -91.000 TYR 37 0.840 17.384 27.259 -8.653 -99.200 -91.000 PHE 38 1.000 11.672 22.750 -4.912 -99.200 -91.000 PHE 42 1.000 10.828 26.038 9.034 -99.200 -91.000 TYR 45 0.840 18.278 19.132 21.362 -99.200 -91.000 TYR 49 0.840 17.742 10.569 15.836 -99.200 -91.000 TRP 54 1.040 15.521 16.817 7.803 -99.200 -91.000 TRP6 54 1.020 15.754 18.891 6.665 -99.200 -91.000 PHE 63 1.000 13.727 14.347 3.922 -99.200 -91.000 PHE 81 1.000 19.960 25.200 10.361 -99.200 -91.000 TYR 88 0.840 13.446 28.606 16.714 -99.200 -91.000 TRP 102 1.040 24.312 20.182 17.783 -99.200 -91.000 TRP6 102 1.020 23.070 21.088 19.595 -99.200 -91.000 TYR 103 0.840 23.267 27.060 13.431 -99.200 -91.000 TYR 110 0.840 20.752 17.317 3.737 -99.200 -91.000 TYR 114 0.840 21.514 31.747 0.421 -99.200 -91.000 PHE 117 1.000 21.035 30.470 10.320 -99.200 -91.000 TRP 141 1.040 31.442 26.181 1.075 -99.200 -91.000 TRP6 141 1.020 33.358 25.472 2.266 -99.200 -91.000 PHE 144 1.000 26.138 32.197 7.844 -99.200 -91.000 PHE 146 1.000 20.732 36.009 9.653 -99.200 -91.000 TYR 160 0.840 16.263 47.415 12.356 -99.200 -91.000 TYR 183 0.840 1.182 41.462 7.313 -99.200 -91.000 TYR 184 0.840 -3.010 36.600 13.787 -99.200 -91.000 TRP 185 1.040 -1.933 45.321 12.219 -99.200 -91.000 TRP6 185 1.020 -2.091 47.259 10.873 -99.200 -91.000 PHE 201 1.000 15.816 50.861 0.007 -99.200 -91.000 TYR 208 0.840 24.181 45.722 6.596 -99.200 -91.000 TRP 217 1.040 15.069 48.164 -3.762 -99.200 -91.000 TRP6 217 1.020 13.295 47.792 -2.207 -99.200 -91.000 PHE 235 1.000 0.411 36.951 -1.441 -99.200 -91.000 TRP 246 1.040 7.038 46.682 -5.336 -99.200 -91.000 TRP6 246 1.020 8.775 45.789 -3.998 -99.200 -91.000 HIS 250 0.900 10.228 48.416 -6.724 -99.200 -91.000 PHE 257 1.000 4.712 29.449 -3.079 -99.200 -91.000 TRP 258 1.040 4.120 27.483 5.487 -99.200 -91.000 TRP6 258 1.020 6.086 26.309 6.067 -99.200 -91.000 HIS 264 0.900 -1.249 20.298 -4.084 -99.200 -91.000 HIS 275 0.900 -6.666 22.741 2.041 -99.200 -91.000 TRP 283 1.040 1.542 21.273 -8.810 -99.200 -91.000 TRP6 283 1.020 2.545 21.075 -6.671 -99.200 -91.000 PHE 285 1.000 -1.523 31.371 -4.771 -99.200 -91.000 HIS 287 0.900 2.757 25.972 -12.794 -99.200 -91.000 PHE 289 1.000 5.217 33.849 -5.110 -99.200 -91.000 PHE 292 1.000 12.212 37.594 -8.246 -99.200 -91.000 PHE 296 1.000 15.026 39.989 -12.544 -99.200 -91.000 TYR 298 0.840 14.272 28.618 -13.507 -99.200 -91.000 PHE 300 1.000 12.935 22.180 -14.463 -99.200 -91.000