============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. TRP 10 1.040 25.061 21.402 13.821 -99.200 -91.000 TRP6 10 1.020 25.415 19.578 15.287 -99.200 -91.000 PHE 14 1.000 30.830 16.121 3.304 -99.200 -91.000 HIS 19 0.900 24.758 10.250 7.159 -99.200 -91.000 HIS 20 0.900 23.078 7.894 -0.070 -99.200 -91.000 PHE 24 1.000 13.518 12.775 4.028 -99.200 -91.000 PHE 37 1.000 26.807 12.707 12.784 -99.200 -91.000 PHE 55 1.000 31.389 15.457 20.361 -99.200 -91.000 TYR 62 0.840 10.489 8.462 31.039 -99.200 -91.000 PHE 73 1.000 29.368 10.040 21.023 -99.200 -91.000 TRP 83 1.040 25.343 6.573 19.451 -99.200 -91.000 TRP6 83 1.020 24.661 8.324 18.020 -99.200 -91.000 TYR 110 0.840 19.099 9.517 18.568 -99.200 -91.000 PHE 117 1.000 35.130 15.521 32.059 -99.200 -91.000 PHE 130 1.000 21.711 13.430 15.969 -99.200 -91.000 PHE 134 1.000 14.410 1.757 10.976 -99.200 -91.000 TRP 137 1.040 21.851 4.440 -0.050 -99.200 -91.000 TRP6 137 1.020 19.780 5.364 0.627 -99.200 -91.000 PHE 144 1.000 22.935 -3.870 1.873 -99.200 -91.000 HIS 148 0.900 21.467 3.483 -7.776 -99.200 -91.000 TYR 154 0.840 11.063 -1.756 -4.443 -99.200 -91.000 PHE 163 1.000 -0.357 -1.794 -11.294 -99.200 -91.000 TRP 175 1.040 -1.004 7.611 -2.503 -99.200 -91.000 TRP6 175 1.020 -3.330 7.754 -2.099 -99.200 -91.000 PHE 177 1.000 3.884 6.030 -2.850 -99.200 -91.000 PHE 180 1.000 12.073 12.232 -0.772 -99.200 -91.000 PHE 198 1.000 6.026 8.144 23.511 -99.200 -91.000 TYR 214 0.840 8.084 -1.227 18.953 -99.200 -91.000 TRP 236 1.040 -13.824 -0.488 2.820 -99.200 -91.000 TRP6 236 1.020 -12.670 -0.129 4.855 -99.200 -91.000 TYR 240 0.840 -17.687 6.845 0.863 -99.200 -91.000 TRP 249 1.040 -8.614 10.801 0.743 -99.200 -91.000 TRP6 249 1.020 -8.232 12.845 1.872 -99.200 -91.000 TRP 259 1.040 -3.632 12.062 12.602 -99.200 -91.000 TRP6 259 1.020 -1.437 11.705 13.408 -99.200 -91.000 TYR 269 0.840 -15.873 9.184 6.521 -99.200 -91.000 TRP 273 1.040 -7.286 3.873 -2.881 -99.200 -91.000 TRP6 273 1.020 -9.501 3.041 -2.916 -99.200 -91.000 PHE 275 1.000 -7.369 2.684 6.216 -99.200 -91.000 PHE 296 1.000 -6.481 -6.821 -9.076 -99.200 -91.000 HIS 300 0.900 -12.080 -10.138 7.319 -99.200 -91.000 TYR 311 0.840 -23.771 -18.201 3.182 -99.200 -91.000 TYR 312 0.840 -24.192 -15.704 -5.351 -99.200 -91.000 TRP 327 1.040 -12.683 -6.907 1.215 -99.200 -91.000 TRP6 327 1.020 -11.626 -4.963 2.050 -99.200 -91.000 PHE 329 1.000 -9.230 -2.683 -5.370 -99.200 -91.000 HIS 330 0.900 -6.769 -5.274 1.872 -99.200 -91.000 TRP 332 1.040 -0.531 -6.985 1.137 -99.200 -91.000 TRP6 332 1.020 -2.279 -8.462 0.520 -99.200 -91.000 TRP 336 1.040 14.993 -5.626 1.587 -99.200 -91.000 TRP6 336 1.020 14.593 -7.493 0.185 -99.200 -91.000 PHE 337 1.000 10.904 -5.354 8.161 -99.200 -91.000 TYR 346 0.840 10.916 -18.554 7.468 -99.200 -91.000 TRP 349 1.040 10.095 -7.504 -1.411 -99.200 -91.000 TRP6 349 1.020