============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TRP 34 1.040 8.817 9.771 33.059 -99.200 -91.000 TRP6 34 1.020 10.972 10.584 33.599 -99.200 -91.000 HIS 43 0.900 12.362 1.764 15.713 -99.200 -91.000 PHE 49 1.000 1.856 -2.819 29.256 -99.200 -91.000 PHE 53 1.000 12.669 -0.669 39.281 -99.200 -91.000 TYR 59 0.840 8.557 4.598 31.374 -99.200 -91.000 PHE 61 1.000 13.687 5.450 26.846 -99.200 -91.000 TYR 73 0.840 32.135 21.270 16.137 -99.200 -91.000 PHE 84 1.000 9.540 8.367 28.738 -99.200 -91.000 TYR 86 0.840 10.318 14.304 37.336 -99.200 -91.000 TYR 88 0.840 5.980 17.520 31.727 -99.200 -91.000 PHE 94 1.000 3.188 29.112 29.868 -99.200 -91.000 TYR 102 0.840 2.310 28.387 24.928 -99.200 -91.000 TYR 112 0.840 13.324 23.823 29.227 -99.200 -91.000 HIS 113 0.900 13.774 28.498 30.914 -99.200 -91.000 HIS 114 0.900 7.136 30.561 31.678 -99.200 -91.000 TYR 127 0.840 18.580 14.876 40.652 -99.200 -91.000 PHE 129 1.000 19.371 6.665 36.462 -99.200 -91.000 TYR 132 0.840 16.881 -6.151 32.014 -99.200 -91.000 PHE 145 1.000 23.150 4.681 31.876 -99.200 -91.000 TRP 148 1.040 20.820 14.960 36.958 -99.200 -91.000 TRP6 148 1.020 21.754 12.804 36.656 -99.200 -91.000 HIS 149 0.900 21.683 18.652 28.480 -99.200 -91.000 PHE 172 1.000 15.363 36.078 21.471 -99.200 -91.000 PHE 180 1.000 17.264 31.090 9.630 -99.200 -91.000 PHE 181 1.000 18.361 34.705 17.040 -99.200 -91.000 HIS 187 0.900 24.017 33.180 10.310 -99.200 -91.000 TYR 209 0.840 10.866 35.010 7.057 -99.200 -91.000 TRP 217 1.040 22.016 41.342 17.226 -99.200 -91.000 TRP6 217 1.020 21.564 42.327 19.311 -99.200 -91.000 TYR 224 0.840 30.436 20.180 25.712 -99.200 -91.000 PHE 229 1.000 25.039 8.357 36.427 -99.200 -91.000 PHE 231 1.000 26.778 1.529 29.154 -99.200 -91.000 PHE 236 1.000 28.349 3.619 34.389 -99.200 -91.000 TYR 237 0.840 30.777 8.507 29.652 -99.200 -91.000 TRP 246 1.040 25.990 36.769 32.931 -99.200 -91.000 TRP6 246 1.020 24.560 35.623 34.407 -99.200 -91.000 TYR 271 0.840 36.052 32.467 30.981 -99.200 -91.000 TYR 278 0.840 32.498 3.786 38.648 -99.200 -91.000 PHE 282 1.000 29.061 -2.944 27.334 -99.200 -91.000 PHE 285 1.000 26.252 -0.804 33.775 -99.200 -91.000 TRP 290 1.040 14.803 -4.076 36.058 -99.200 -91.000 TRP6 290 1.020 14.567 -2.085 34.802 -99.200 -91.000 PHE 293 1.000 23.776 3.569 37.914 -99.200 -91.000 HIS 296 0.900 23.180 15.289 47.892 -99.200 -91.000 TRP 299 1.040 22.418 21.004 40.923 -99.200 -91.000 TRP6 299 1.020 23.139 19.908 38.961 -99.200 -91.000 TYR 302 0.840 28.925 27.670 38.200 -99.200 -91.000 TYR 321 0.840 25.588 -4.711 41.051 -99.200 -91.000 HIS 330 0.900 29.830 6.016 48.771 -99.200 -91.000 TYR 347 0.840 22.136 23.144 37.155 -99.200 -91.000 TYR 348 0.840 16.010 19.649 31.021 -99.200 -91.000 PHE 349 1.000 17.081 11.673 35.214 -99.200 -91.000 PHE 351 1.000 14.248 7.335 32.722 -99.200 -91.000 TYR 354 0.840 22.744 13.641 22.992 -99.200 -91.000 TYR 365 0.840 20.090 2.349 27.111 -99.200 -91.000 TYR 370 0.840 13.753 11.022 37.919 -99.200 -91.000