============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 5 1.000 16.555 11.499 -43.462 -99.200 -91.000 PHE 7 1.000 21.349 15.240 -35.412 -99.200 -91.000 TYR 10 0.840 27.121 17.382 -40.275 -99.200 -91.000 PHE 23 1.000 22.302 26.202 -44.130 -99.200 -91.000 PHE 24 1.000 21.531 18.325 -43.814 -99.200 -91.000 HIS 65 0.900 1.788 10.723 -46.278 -99.200 -91.000 PHE 68 1.000 6.481 14.472 -42.727 -99.200 -91.000 PHE 82 1.000 10.860 31.870 -38.117 -99.200 -91.000 PHE 91 1.000 10.417 20.627 -62.932 -99.200 -91.000 PHE 102 1.000 2.825 11.474 -56.712 -99.200 -91.000 TYR 110 0.840 3.322 15.963 -48.431 -99.200 -91.000 PHE 115 1.000 5.238 22.625 -63.220 -99.200 -91.000 PHE 119 1.000 13.527 15.168 -67.228 -99.200 -91.000 TYR 132 0.840 8.268 25.558 -60.719 -99.200 -91.000 TYR 159 0.840 12.166 26.014 -54.401 -99.200 -91.000 PHE 161 1.000 14.024 31.867 -50.594 -99.200 -91.000 PHE 162 1.000 15.738 31.293 -40.937 -99.200 -91.000 TRP 166 1.040 20.679 37.510 -35.230 -99.200 -91.000 TRP6 166 1.020 20.729 35.154 -35.171 -99.200 -91.000 PHE 170 1.000 24.942 39.073 -32.964 -99.200 -91.000 HIS 172 0.900 24.312 51.139 -35.806 -99.200 -91.000 PHE 180 1.000 36.162 30.816 -38.992 -99.200 -91.000 TYR 181 0.840 43.191 31.801 -35.853 -99.200 -91.000 TYR 199 0.840 24.370 35.942 -26.167 -99.200 -91.000 HIS 200 0.900 18.147 29.569 -22.891 -99.200 -91.000 TYR 201 0.840 28.514 28.266 -22.089 -99.200 -91.000 TYR 216 0.840 17.161 32.950 -36.375 -99.200 -91.000 PHE 224 1.000 25.158 30.501 -34.473 -99.200 -91.000 TRP 247 1.040 24.426 19.425 -26.687 -99.200 -91.000 TRP6 247 1.020 25.121 19.780 -28.919 -99.200 -91.000 PHE 251 1.000 21.471 25.540 -25.049 -99.200 -91.000 TYR 259 0.840 34.018 39.521 -29.483 -99.200 -91.000 PHE 263 1.000 27.498 32.131 -40.948 -99.200 -91.000 TYR 269 0.840 24.416 19.400 -49.731 -99.200 -91.000 PHE 284 1.000 16.875 8.227 -54.342 -99.200 -91.000 HIS 287 0.900 16.120 -2.243 -57.778 -99.200 -91.000 HIS 296 0.900 7.456 4.510 -68.452 -99.200 -91.000 HIS 306 0.900 17.779 20.415 -49.211 -99.200 -91.000 PHE 327 1.000 31.911 49.842 -14.233 -99.200 -91.000 PHE 334 1.000 30.368 30.044 -31.738 -99.200 -91.000 PHE 338 1.000 30.403 29.045 -37.025 -99.200 -91.000 PHE 341 1.000 22.684 21.157 -34.334 -99.200 -91.000 PHE 349 1.000 17.117 26.435 -43.026 -99.200 -91.000