============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 14 0.840 23.880 22.087 -62.856 -99.200 -91.000 TRP 15 1.040 26.469 15.366 -70.596 -99.200 -91.000 TRP6 15 1.020 27.469 13.477 -69.590 -99.200 -91.000 TYR 19 0.840 34.849 16.048 -70.012 -99.200 -91.000 PHE 22 1.000 33.963 15.600 -59.288 -99.200 -91.000 PHE 25 1.000 31.483 12.790 -65.682 -99.200 -91.000 TRP 36 1.040 25.003 15.169 -62.313 -99.200 -91.000 TRP6 36 1.020 26.898 15.478 -63.695 -99.200 -91.000 PHE 37 1.000 20.022 20.394 -59.938 -99.200 -91.000 HIS 47 0.900 41.429 30.483 -54.958 -99.200 -91.000 PHE 56 1.000 42.264 29.415 -41.915 -99.200 -91.000 PHE 65 1.000 26.503 20.973 -43.513 -99.200 -91.000 PHE 75 1.000 39.086 21.282 -48.160 -99.200 -91.000 TYR 102 0.840 39.585 13.715 -59.256 -99.200 -91.000 PHE 110 1.000 34.985 8.896 -47.923 -99.200 -91.000 PHE 115 1.000 29.358 20.292 -38.696 -99.200 -91.000 PHE 121 1.000 29.560 15.511 -27.846 -99.200 -91.000 PHE 128 1.000 34.388 23.645 -47.935 -99.200 -91.000 TRP 133 1.040 24.450 27.197 -50.706 -99.200 -91.000 TRP6 133 1.020 25.581 27.796 -52.686 -99.200 -91.000 TYR 138 0.840 21.710 29.729 -55.444 -99.200 -91.000 PHE 144 1.000 20.669 31.533 -49.448 -99.200 -91.000 PHE 155 1.000 23.776 34.621 -38.675 -99.200 -91.000 PHE 158 1.000 31.106 31.162 -37.924 -99.200 -91.000 TYR 170 0.840 28.847 29.209 -43.572 -99.200 -91.000 PHE 171 1.000 31.312 26.719 -52.660 -99.200 -91.000 PHE 197 1.000 34.450 36.614 -60.431 -99.200 -91.000 TYR 208 0.840 39.107 31.420 -47.836 -99.200 -91.000 PHE 209 1.000 33.652 33.534 -41.273 -99.200 -91.000