============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 17 0.840 -13.064 27.392 61.637 -99.200 -91.000 TRP 26 1.040 -15.595 13.160 58.696 -99.200 -91.000 TRP6 26 1.020 -15.469 11.395 57.122 -99.200 -91.000 PHE 33 1.000 -13.899 23.063 58.979 -99.200 -91.000 PHE 37 1.000 -10.317 28.208 51.428 -99.200 -91.000 PHE 41 1.000 -10.346 32.563 46.928 -99.200 -91.000 TYR 44 0.840 -11.927 38.479 49.591 -99.200 -91.000 HIS 49 0.900 -19.614 27.579 39.056 -99.200 -91.000 HIS 61 0.900 -1.526 19.590 34.691 -99.200 -91.000 TYR 82 0.840 7.161 29.705 41.586 -99.200 -91.000 TYR 91 0.840 3.280 20.907 35.044 -99.200 -91.000 PHE 106 1.000 8.602 44.989 39.842 -99.200 -91.000 HIS 128 0.900 -3.795 39.639 38.061 -99.200 -91.000 TYR 130 0.840 6.881 40.810 42.588 -99.200 -91.000 HIS 146 0.900 -6.263 38.947 17.668 -99.200 -91.000 TYR 162 0.840 -8.060 46.698 35.692 -99.200 -91.000 PHE 176 1.000 -7.329 33.931 43.524 -99.200 -91.000 PHE 178 1.000 -5.932 29.515 48.677 -99.200 -91.000 PHE 179 1.000 5.135 27.588 50.251 -99.200 -91.000 TYR 216 0.840 -13.086 1.632 43.238 -99.200 -91.000 TRP 217 1.040 -17.426 3.922 33.656 -99.200 -91.000 TRP6 217 1.020 -17.014 1.729 32.870 -99.200 -91.000 PHE 218 1.000 -11.581 5.844 38.007 -99.200 -91.000 PHE 223 1.000 -4.687 15.941 35.454 -99.200 -91.000 TYR 225 0.840 -3.453 18.006 39.620 -99.200 -91.000 HIS 245 0.900 -4.629 37.087 57.931 -99.200 -91.000 TRP 255 1.040 5.235 51.295 60.481 -99.200 -91.000 TRP6 255 1.020 4.609 49.195 61.341 -99.200 -91.000 TYR 256 0.840 9.604 47.616 53.865 -99.200 -91.000 HIS 271 0.900 3.652 53.396 39.066 -99.200 -91.000 HIS 278 0.900 0.654 46.449 44.894 -99.200 -91.000 PHE 280 1.000 2.344 47.721 47.979 -99.200 -91.000 TRP 281 1.040 2.973 37.315 48.494 -99.200 -91.000 TRP6 281 1.020 4.766 36.624 47.136 -99.200 -91.000 TYR 283 0.840 7.784 48.747 49.800 -99.200 -91.000 PHE 313 1.000 8.784 35.416 40.744 -99.200 -91.000 HIS 314 0.900 17.633 34.216 38.733 -99.200 -91.000 HIS 317 0.900 14.232 35.868 28.557 -99.200 -91.000 TYR 322 0.840 9.824 26.819 30.553 -99.200 -91.000 HIS 324 0.900 12.453 25.664 24.879 -99.200 -91.000 HIS 346 0.900 6.368 38.399 58.317 -99.200 -91.000