============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 17 0.840 62.374 31.329 42.688 -99.200 -91.000 HIS 25 0.900 76.887 27.622 44.690 -99.200 -91.000 PHE 42 1.000 56.640 13.217 36.408 -99.200 -91.000 PHE 55 1.000 62.046 27.802 37.594 -99.200 -91.000 HIS 59 0.900 56.856 30.396 33.477 -99.200 -91.000 HIS 71 0.900 70.199 20.295 36.119 -99.200 -91.000 TYR 74 0.840 79.867 25.819 34.747 -99.200 -91.000 PHE 88 1.000 67.184 15.851 29.153 -99.200 -91.000 TYR 89 0.840 57.441 12.793 31.079 -99.200 -91.000 TYR 94 0.840 55.815 1.579 36.824 -99.200 -91.000 HIS 100 0.900 73.926 13.252 35.473 -99.200 -91.000 HIS 108 0.900 79.005 6.334 20.691 -99.200 -91.000 PHE 115 1.000 68.374 2.411 17.070 -99.200 -91.000 HIS 121 0.900 65.087 9.779 19.357 -99.200 -91.000 PHE 135 1.000 65.549 4.853 38.251 -99.200 -91.000 PHE 142 1.000 61.218 -4.710 39.122 -99.200 -91.000 HIS 144 0.900 55.763 -6.665 41.713 -99.200 -91.000 TYR 145 0.840 50.886 0.636 40.064 -99.200 -91.000 PHE 153 1.000 65.872 1.329 48.096 -99.200 -91.000 TYR 167 0.840 76.144 7.413 38.734 -99.200 -91.000 HIS 176 0.900 55.485 3.379 41.945 -99.200 -91.000 PHE 181 1.000 70.430 7.029 40.908 -99.200 -91.000 TYR 204 0.840 62.376 11.922 55.449 -99.200 -91.000 PHE 218 1.000 63.425 20.361 54.314 -99.200 -91.000 PHE 220 1.000 74.568 17.248 56.839 -99.200 -91.000 TYR 231 0.840 60.598 4.493 47.109 -99.200 -91.000 PHE 239 1.000 60.557 2.347 52.732 -99.200 -91.000 PHE 254 1.000 89.062 21.879 39.955 -99.200 -91.000 TYR 256 0.840 85.899 18.946 49.642 -99.200 -91.000 TYR 258 0.840 86.477 26.344 40.764 -99.200 -91.000 PHE 259 1.000 80.865 23.773 40.218 -99.200 -91.000 PHE 265 1.000 79.709 22.462 57.753 -99.200 -91.000 TYR 272 0.840 85.763 30.085 56.675 -99.200 -91.000 TRP 290 1.040 108.462 32.134 45.495 -99.200 -91.000 TRP6 290 1.020 106.481 33.064 44.606 -99.200 -91.000 TYR 320 0.840 92.804 40.083 52.648 -99.200 -91.000 PHE 324 1.000 93.518 42.818 40.904 -99.200 -91.000 TYR 329 0.840 74.655 44.597 40.248 -99.200 -91.000 PHE 334 1.000 73.668 44.993 24.189 -99.200 -91.000 PHE 357 1.000 96.785 46.179 42.509 -99.200 -91.000 TYR 391 0.840 107.258 38.251 43.350 -99.200 -91.000 PHE 401 1.000 96.810 14.813 33.133 -99.200 -91.000 TYR 405 0.840 85.379 10.879 36.679 -99.200 -91.000 HIS 418 0.900 98.607 18.599 28.052 -99.200 -91.000 PHE 436 1.000 100.760 26.443 39.120 -99.200 -91.000 PHE 456 1.000 89.999 14.420 49.601 -99.200 -91.000 PHE 461 1.000 93.849 19.558 41.084 -99.200 -91.000 TYR 465 0.840 90.881 11.063 33.658 -99.200 -91.000 TYR 474 0.840 84.724 9.792 27.507 -99.200 -91.000 PHE 477 1.000 81.132 10.711 22.028 -99.200 -91.000