============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 1 1.000 10.617 12.562 4.984 -99.200 -91.000 TRP 10 1.040 21.446 31.182 18.269 -99.200 -91.000 TRP6 10 1.020 21.988 32.691 19.996 -99.200 -91.000 TYR 16 0.840 10.501 32.434 12.650 -99.200 -91.000 HIS 25 0.900 18.060 19.547 -0.486 -99.200 -91.000 HIS 47 0.900 22.646 34.216 15.990 -99.200 -91.000 PHE 49 1.000 18.105 38.282 19.731 -99.200 -91.000 TYR 88 0.840 29.762 38.532 7.976 -99.200 -91.000 HIS 96 0.900 44.262 35.208 8.011 -99.200 -91.000 HIS 110 0.900 30.351 30.261 14.778 -99.200 -91.000 HIS 122 0.900 26.415 48.128 14.904 -99.200 -91.000 PHE 157 1.000 25.015 48.134 -4.116 -99.200 -91.000 TYR 181 0.840 42.707 44.194 9.339 -99.200 -91.000 HIS 186 0.900 46.675 46.144 24.053 -99.200 -91.000 PHE 188 1.000 43.002 49.443 28.573 -99.200 -91.000 PHE 201 1.000 31.595 58.881 23.689 -99.200 -91.000 TYR 209 0.840 39.908 48.830 12.022 -99.200 -91.000 PHE 214 1.000 31.292 45.026 26.062 -99.200 -91.000 TRP 217 1.040 23.134 51.190 31.343 -99.200 -91.000 TRP6 217 1.020 24.113 53.351 31.300 -99.200 -91.000 PHE 222 1.000 30.059 54.119 29.986 -99.200 -91.000 TRP 226 1.040 35.990 44.141 26.130 -99.200 -91.000 TRP6 226 1.020 35.917 41.922 25.316 -99.200 -91.000 PHE 238 1.000 41.671 53.690 27.252 -99.200 -91.000 TYR 240 0.840 41.843 58.761 28.525 -99.200 -91.000 HIS 249 0.900 30.750 36.560 28.126 -99.200 -91.000 PHE 263 1.000 45.380 39.176 30.163 -99.200 -91.000 TRP 269 1.040 41.704 39.280 9.033 -99.200 -91.000 TRP6 269 1.020 39.505 38.890 8.324 -99.200 -91.000 HIS 270 0.900 40.817 35.090 10.739 -99.200 -91.000 HIS 275 0.900 32.842 42.216 21.207 -99.200 -91.000 PHE 276 1.000 30.766 36.478 22.678 -99.200 -91.000 PHE 280 1.000 30.047 30.522 22.771 -99.200 -91.000 TYR 292 0.840 16.526 51.191 21.304 -99.200 -91.000 HIS 298 0.900 21.552 64.281 19.070 -99.200 -91.000 HIS 304 0.900 25.916 62.420 31.537 -99.200 -91.000 TRP 331 1.040 18.627 54.670 -0.475 -99.200 -91.000 TRP6 331 1.020 17.318 53.884 -2.285 -99.200 -91.000 TYR 336 0.840 20.423 57.796 4.461 -99.200 -91.000 HIS 344 0.900 23.487 44.590 21.964 -99.200 -91.000 PHE 345 1.000 20.467 49.328 26.525 -99.200 -91.000 TRP 347 1.040 16.824 43.915 26.512 -99.200 -91.000 TRP6 347 1.020 17.097 45.813 27.886 -99.200 -91.000 PHE 368 1.000 19.247 62.548 23.584 -99.200 -91.000 HIS 373 0.900 20.494 45.412 14.453 -99.200 -91.000 TRP 374 1.040 15.769 48.320 9.995 -99.200 -91.000 TRP6 374 1.020 13.614 49.220 10.188 -99.200 -91.000 PHE 378 1.000 11.801 47.555 15.956 -99.200 -91.000 TYR 389 0.840 15.192 54.131 9.066 -99.200 -91.000 PHE 395 1.000 13.339 49.136 1.038 -99.200 -91.000 PHE 408 1.000 10.386 37.620 -2.193 -99.200 -91.000 PHE 412 1.000 10.458 44.070 11.317 -99.200 -91.000