============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 9.323 12.475 39.428 -99.200 -91.000 PHE 40 1.000 11.208 17.125 26.351 -99.200 -91.000 PHE 42 1.000 14.682 13.414 31.158 -99.200 -91.000 TYR 51 0.840 14.852 13.678 25.398 -99.200 -91.000 PHE 67 1.000 24.472 21.001 16.817 -99.200 -91.000 PHE 77 1.000 23.184 2.763 30.500 -99.200 -91.000 PHE 81 1.000 24.503 -5.414 23.945 -99.200 -91.000 PHE 87 1.000 22.743 1.709 15.888 -99.200 -91.000 TRP 90 1.040 32.566 7.840 21.596 -99.200 -91.000 TRP6 90 1.020 31.007 9.477 22.308 -99.200 -91.000 HIS 92 0.900 36.038 10.771 19.222 -99.200 -91.000 TRP 96 1.040 31.932 5.419 12.058 -99.200 -91.000 TRP6 96 1.020 32.281 7.015 10.340 -99.200 -91.000 HIS 100 0.900 31.294 4.566 6.045 -99.200 -91.000 PHE 107 1.000 25.281 -3.417 4.422 -99.200 -91.000 TYR 115 0.840 23.969 -8.834 0.778 -99.200 -91.000 HIS 116 0.900 15.601 -10.698 -5.008 -99.200 -91.000 TRP 130 1.040 2.627 -16.568 8.340 -99.200 -91.000 TRP6 130 1.020 2.633 -14.269 7.757 -99.200 -91.000 HIS 138 0.900 -3.614 -16.863 17.059 -99.200 -91.000 PHE 158 1.000 27.051 -11.910 9.962 -99.200 -91.000 TYR 160 0.840 24.704 -19.843 12.578 -99.200 -91.000 PHE 162 1.000 21.043 -16.378 13.790 -99.200 -91.000 PHE 165 1.000 10.109 -18.252 9.394 -99.200 -91.000 TYR 166 0.840 13.366 -25.878 9.746 -99.200 -91.000 HIS 171 0.900 18.640 -18.768 17.664 -99.200 -91.000 PHE 173 1.000 22.046 -12.846 18.634 -99.200 -91.000 TYR 198 0.840 19.420 -1.181 40.496 -99.200 -91.000 PHE 205 1.000 24.037 -5.730 29.924 -99.200 -91.000 HIS 234 0.900 33.105 -7.560 1.220 -99.200 -91.000 TYR 254 0.840 33.553 -5.195 20.990 -99.200 -91.000 PHE 259 1.000 27.096 -4.418 10.059 -99.200 -91.000 HIS 264 0.900 17.084 -9.371 14.736 -99.200 -91.000 PHE 273 1.000 5.258 -0.024 15.188 -99.200 -91.000 TYR 276 0.840 -1.784 -0.989 14.291 -99.200 -91.000 PHE 277 1.000 0.414 2.641 11.385 -99.200 -91.000 HIS 283 0.900 -11.451 2.469 1.654 -99.200 -91.000 TYR 303 0.840 18.037 -5.835 -6.895 -99.200 -91.000 TYR 311 0.840 -0.076 2.428 -2.117 -99.200 -91.000 TRP 323 1.040 3.775 4.279 15.847 -99.200 -91.000 TRP6 323 1.020 4.359 5.340 17.880 -99.200 -91.000 PHE 329 1.000 19.112 11.336 14.522 -99.200 -91.000 TYR 332 0.840 30.241 15.341 19.925 -99.200 -91.000 TYR 343 0.840 15.631 27.407 22.604 -99.200 -91.000 HIS 359 0.900 9.891 10.477 11.065 -99.200 -91.000 TRP 365 1.040 5.707 15.335 8.075 -99.200 -91.000 TRP6 365 1.020 6.474 13.886 6.362 -99.200 -91.000 PHE 372 1.000 0.137 3.370 6.882 -99.200 -91.000 PHE 377 1.000 6.931 9.061 3.378 -99.200 -91.000 HIS 386 0.900 18.984 17.414 7.384 -99.200 -91.000 PHE 388 1.000 10.757 9.134 6.104 -99.200 -91.000 PHE 391 1.000 15.999 3.632 7.015 -99.200 -91.000 PHE 403 1.000 20.225 -7.131 4.270 -99.200 -91.000 HIS 406 0.900 15.704 -5.974 -2.733 -99.200 -91.000 HIS 418 0.900 2.212 -16.388 -2.613 -99.200 -91.000 PHE 419 1.000 -0.322 -16.311 3.160 -99.200 -91.000 PHE 421 1.000 -1.728 -10.907 5.530 -99.200 -91.000 HIS 424 0.900 -7.362 -13.084 14.813 -99.200 -91.000 TYR 427 0.840 -2.378 -5.211 18.396 -99.200 -91.000 PHE 442 1.000 -0.657 -6.708 13.837 -99.200 -91.000