============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 19 1.000 26.433 102.262 48.746 -99.200 -91.000 TRP 40 1.040 9.613 121.330 63.171 -99.200 -91.000 TRP6 40 1.020 7.905 119.975 62.261 -99.200 -91.000 TYR 74 0.840 17.288 120.100 55.805 -99.200 -91.000 HIS 80 0.900 18.542 108.195 66.407 -99.200 -91.000 PHE 83 1.000 10.588 106.402 63.342 -99.200 -91.000 PHE 84 1.000 12.073 104.468 71.262 -99.200 -91.000 PHE 88 1.000 8.051 102.295 59.384 -99.200 -91.000 HIS 94 0.900 23.197 90.658 56.304 -99.200 -91.000 TYR 110 0.840 2.848 89.462 34.380 -99.200 -91.000 TYR 112 0.840 12.011 80.414 35.657 -99.200 -91.000 PHE 118 1.000 14.562 88.959 42.078 -99.200 -91.000 TRP 135 1.040 -1.958 76.630 57.736 -99.200 -91.000 TRP6 135 1.020 -2.550 78.767 56.933 -99.200 -91.000 PHE 142 1.000 5.814 88.413 50.075 -99.200 -91.000 TYR 152 0.840 -4.968 90.720 46.655 -99.200 -91.000 TYR 159 0.840 -14.249 83.055 42.746 -99.200 -91.000 TYR 162 0.840 -23.420 84.229 48.187 -99.200 -91.000 PHE 179 1.000 -20.309 88.904 62.006 -99.200 -91.000 HIS 185 0.900 -13.006 100.642 64.072 -99.200 -91.000 TYR 186 0.840 -9.933 103.490 62.679 -99.200 -91.000 PHE 194 1.000 -10.755 100.104 46.381 -99.200 -91.000 PHE 233 1.000 -18.230 87.949 53.579 -99.200 -91.000 PHE 247 1.000 -0.258 88.953 69.752 -99.200 -91.000 HIS 260 0.900 -22.777 80.631 64.146 -99.200 -91.000 TRP 263 1.040 -11.655 83.348 54.746 -99.200 -91.000 TRP6 263 1.020 -11.192 82.235 52.720 -99.200 -91.000 HIS 265 0.900 -7.449 88.090 56.945 -99.200 -91.000 TRP 270 1.040 2.270 95.151 66.254 -99.200 -91.000 TRP6 270 1.020 4.583 95.546 66.001 -99.200 -91.000 HIS 280 0.900 7.789 86.165 74.243 -99.200 -91.000 HIS 282 0.900 2.432 82.123 74.915 -99.200 -91.000 TRP 295 1.040 4.388 87.655 59.366 -99.200 -91.000 TRP6 295 1.020 5.020 85.404 59.601 -99.200 -91.000 HIS 298 0.900 5.393 96.632 55.904 -99.200 -91.000 HIS 323 0.900 -7.645 87.982 43.673 -99.200 -91.000 TYR 329 0.840 -11.532 79.989 24.119 -99.200 -91.000 PHE 331 1.000 -4.396 82.028 15.679 -99.200 -91.000 PHE 336 1.000 11.303 79.632 26.568 -99.200 -91.000 TYR 337 0.840 8.049 80.259 31.552 -99.200 -91.000 TRP 360 1.040 16.035 83.778 50.024 -99.200 -91.000 TRP6 360 1.020 18.139 84.191 49.063 -99.200 -91.000 TRP 363 1.040 14.166 83.512 57.654 -99.200 -91.000 TRP6 363 1.020 11.851 83.958 57.651 -99.200 -91.000 PHE 379 1.000 7.055 89.464 72.940 -99.200 -91.000 TYR 384 0.840 15.627 98.132 81.419 -99.200 -91.000 PHE 395 1.000 7.671 108.112 83.015 -99.200 -91.000 PHE 403 1.000 3.828 92.218 69.220 -99.200 -91.000 PHE 408 1.000 4.928 105.811 78.312 -99.200 -91.000 TRP 409 1.040 -2.733 108.853 79.828 -99.200 -91.000 TRP6 409 1.020 -3.769 106.849 80.487 -99.200 -91.000 PHE 410 1.000 6.214 113.162 82.483 -99.200 -91.000 TYR 424 0.840 -5.335 113.411 86.618 -99.200 -91.000 HIS 425 0.900 -9.102 110.618 83.635 -99.200 -91.000 TYR 449 0.