============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TYR 6 0.840 -41.156 -23.455 25.168 -99.200 -91.000 PHE 29 1.000 -21.335 3.816 15.335 -99.200 -91.000 PHE 43 1.000 -22.241 3.928 20.835 -99.200 -91.000 PHE 46 1.000 -18.828 3.321 26.284 -99.200 -91.000 HIS 50 0.900 -17.620 5.251 30.063 -99.200 -91.000 HIS 53 0.900 -17.583 9.391 24.836 -99.200 -91.000 TRP 60 1.040 -28.221 9.371 18.113 -99.200 -91.000 TRP6 60 1.020 -27.088 7.420 18.760 -99.200 -91.000 TYR 66 0.840 -36.531 19.501 14.582 -99.200 -91.000 TYR 85 0.840 -27.949 19.427 22.777 -99.200 -91.000 PHE 93 1.000 -19.338 24.375 21.300 -99.200 -91.000 PHE 96 1.000 -19.236 15.963 18.855 -99.200 -91.000 PHE 114 1.000 -31.764 21.009 13.886 -99.200 -91.000 HIS 124 0.900 -17.118 12.684 18.584 -99.200 -91.000 PHE 130 1.000 -18.060 0.694 17.200 -99.200 -91.000 PHE 133 1.000 -20.794 -0.704 22.783 -99.200 -91.000 TYR 138 0.840 -22.494 -0.044 29.909 -99.200 -91.000 PHE 139 1.000 -18.222 -6.071 21.849 -99.200 -91.000 PHE 142 1.000 -24.712 -6.326 20.109 -99.200 -91.000 TRP 145 1.040 -29.144 -8.553 26.119 -99.200 -91.000 TRP6 145 1.020 -31.275 -9.462 26.463 -99.200 -91.000 TRP 147 1.040 -24.629 -18.250 23.654 -99.200 -91.000 TRP6 147 1.020 -26.450 -19.075 24.895 -99.200 -91.000 TRP 157 1.040 -38.432 -21.917 21.481 -99.200 -91.000 TRP6 157 1.020 -37.573 -20.400 23.064 -99.200 -91.000 PHE 158 1.000 -42.451 -18.731 17.270 -99.200 -91.000 PHE 161 1.000 -54.017 -16.642 19.439 -99.200 -91.000 PHE 169 1.000 -47.634 -23.257 -2.718 -99.200 -91.000 PHE 173 1.000 -52.891 -22.570 11.655 -99.200 -91.000 TYR 184 0.840 -43.662 -12.290 16.349 -99.200 -91.000 TYR 200 0.840 -38.931 -26.911 -3.223 -99.200 -91.000 HIS 214 0.900 -37.360 -3.305 10.966 -99.200 -91.000 PHE 217 1.000 -45.146 3.336 5.837 -99.200 -91.000 TYR 223 0.840 -38.985 -15.579 16.355 -99.200 -91.000 PHE 225 1.000 -41.316 -22.236 13.254 -99.200 -91.000 TYR 245 0.840 -63.935 -7.824 5.206 -99.200 -91.000 HIS 246 0.900 -61.435 -3.550 6.253 -99.200 -91.000 TYR 248 0.840 -65.599 -4.478 -3.866 -99.200 -91.000 PHE 257 1.000 -61.170 1.818 1.399 -99.200 -91.000 PHE 264 1.000 -53.186 7.163 7.141 -99.200 -91.000 TYR 265 0.840 -56.588 2.640 4.258 -99.200 -91.000 HIS 275 0.900 -37.316 0.182 3.567 -99.200 -91.000 HIS 277 0.900 -40.613 0.486 -6.415 -99.200 -91.000 TYR 283 0.840 -46.066 -5.991 -3.596 -99.200 -91.000 TYR 320 0.840 -48.097 -12.981 -18.351 -99.200 -91.000 PHE 326 1.000 -55.112 -5.532 -9.444 -99.200 -91.000 TYR 337 0.840 -41.150 -6.606 -15.748 -99.200 -91.000 PHE 339 1.000 -36.826 -0.171 -9.258 -99.200 -91.000 TYR 343 0.840 -43.794 3.697 -8.336 -99.200 -91.000 PHE 344 1.000 -51.213 -0.237 -15.483 -99.200 -91.000 TYR 351 0.840 -60.774 3.532 -11.852 -99.200 -91.000 PHE 360 1.000 -57.183 -0.866 -17.648 -99.200 -91.000 TYR 383 0.840 -59.581 8.319 -14.479 -99.200 -91.000 PHE 387 1.000 -61.774 7.616 -9.439 -99.200 -91.000 PHE 394 1.000 -50.931 9.615 -7.087 -99.200 -91.000 PHE 409 1.000 -36.937 4.566 -6.848 -99.200 -91.000 HIS 420 0.900 -50.781 14.391 -8.293 -99.200 -91.000 PHE 423 1.000 -49.933 11.291 -2.388 -99.200 -91.000 TRP 428 1.040 -45.645 13.063 1.724 -99.200 -91.000 TRP6 428 1.020 -46.206 10.891 1.040 -99.200 -91.000 PHE 440 1.000 -63.297 1.382 9.954 -99.200 -91.000 PHE 450 1.000 -54.349 -25.970 2.358 -99.200 -91.000 PHE 458 1.000 -40.312 -33.691 0.985 -99.200 -91.000 PHE 465 1.000 -36.625 -24.200 -0.894 -99.200 -91.000 PHE 466 1.000 -38.330 -29.032 2.101 -99.200 -91.000 PHE 469 1.000 -38.927 -20.804 3.907 -99.200 -91.000 TRP 478 1.040 -35.094 -12.883 19.895 -99.200 -91.000 TRP6 478 1.020 -33.283 -12.219 21.246 -99.200 -91.000 PHE 488 1.000 -32.220 -4.422 26.674 -99.200 -91.000 TRP 494 1.040 -24.215 -3.629 37.863 -99.200 -91.000 TRP6 494 1.020 -22.689 -4.943 36.638 -99.200 -91.000