============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 37.446 28.174 93.873 -99.200 -91.000 PHE 14 1.000 31.182 29.782 73.954 -99.200 -91.000 PHE 34 1.000 14.569 22.541 71.559 -99.200 -91.000 HIS 37 0.900 8.269 13.094 81.144 -99.200 -91.000 TYR 38 0.840 15.104 15.890 80.464 -99.200 -91.000 TYR 41 0.840 17.945 10.700 91.477 -99.200 -91.000 TRP 46 1.040 16.616 9.395 86.817 -99.200 -91.000 TRP6 46 1.020 16.500 11.768 86.767 -99.200 -91.000 TRP 84 1.040 13.544 14.236 107.716 -99.200 -91.000 TRP6 84 1.020 15.103 15.219 109.199 -99.200 -91.000 PHE 87 1.000 20.642 14.302 109.237 -99.200 -91.000 TRP 90 1.040 25.039 13.220 103.039 -99.200 -91.000 TRP6 90 1.020 26.605 12.492 101.416 -99.200 -91.000 TRP 93 1.040 28.520 8.645 103.671 -99.200 -91.000 TRP6 93 1.020 29.301 8.555 101.444 -99.200 -91.000 TYR 122 0.840 18.734 25.629 71.493 -99.200 -91.000 TRP 128 1.040 26.215 30.899 71.580 -99.200 -91.000 TRP6 128 1.020 27.738 30.134 69.939 -99.200 -91.000 PHE 141 1.000 27.645 28.968 93.927 -99.200 -91.000 TYR 144 0.840 34.761 28.861 98.445 -99.200 -91.000 TYR 145 0.840 29.191 26.408 98.532 -99.200 -91.000 TYR 152 0.840 32.519 25.457 108.460 -99.200 -91.000 TYR 154 0.840 35.244 14.297 116.178 -99.200 -91.000 TYR 162 0.840 37.694 23.338 134.623 -99.200 -91.000 PHE 170 1.000 30.924 16.626 118.188 -99.200 -91.000 TYR 171 0.840 31.113 24.116 113.737 -99.200 -91.000 TRP 183 1.040 12.642 32.875 86.408 -99.200 -91.000 TRP6 183 1.020 13.703 34.556 85.107 -99.200 -91.000 PHE 185 1.000 22.808 34.147 87.212 -99.200 -91.000 PHE 190 1.000 18.420 22.471 90.698 -99.200 -91.000 PHE 220 1.000 18.472 16.581 91.722 -99.200 -91.000 PHE 223 1.000 23.460 17.398 92.087 -99.200 -91.000 HIS 224 0.900 21.393 7.667 89.016 -99.200 -91.000 PHE 228 1.000 26.146 14.030 95.652 -99.200 -91.000 PHE 235 1.000 14.513 17.698 88.753 -99.200 -91.000 TYR 246 0.840 2.863 18.751 101.941 -99.200 -91.000 HIS 250 0.900 6.110 17.788 106.356 -99.200 -91.000 PHE 255 1.000 18.558 22.408 105.142 -99.200 -91.000 PHE 258 1.000 12.766 32.320 97.739 -99.200 -91.000 TYR 269 0.840 13.362 35.537 108.016 -99.200 -91.000 TRP 281 1.040 12.830 21.450 112.956 -99.200 -91.000 TRP6 281 1.020 12.921 19.106 112.607 -99.200 -91.000 PHE 282 1.000 12.610 27.774 118.622 -99.200 -91.000 TYR 286 0.840 20.300 29.926 106.483 -99.200 -91.000 PHE 303 1.000 32.888 61.522 82.352 -99.200 -91.000 TYR 315 0.840 20.423 47.846 78.801 -99.200 -91.000 PHE 317 1.000 19.056 35.354 81.630 -99.200 -91.000 TYR 335 0.840 21.596 63.648 82.842 -99.200 -91.000 TYR 375 0.840 7.521 47.069 87.530 -99.200 -91.000 TYR 397 0.840 7.652 34.524 75.692 -99.200 -91.000 PHE 398 1.000 13.337 37.356 70.436 -99.200 -91.000 PHE 404 1.000 11.133 54.351 81.149 -99.200 -91.000 PHE 419 1.000 15.240 39.132 88.045 -99.200 -91.000 PHE 431 1.000 30.695 59.288 95.643 -99.200 -91.000 TYR 443 0.840