============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 12 0.900 38.533 -1.537 12.838 -99.200 -91.000 PHE 16 1.000 44.220 -2.517 11.492 -99.200 -91.000 TRP 50 1.040 80.903 -16.551 4.531 -99.200 -91.000 TRP6 50 1.020 82.916 -15.498 5.098 -99.200 -91.000 PHE 63 1.000 79.235 -19.606 -14.679 -99.200 -91.000 TRP 108 1.040 70.951 -35.226 0.604 -99.200 -91.000 TRP6 108 1.020 70.544 -32.919 0.373 -99.200 -91.000 PHE 118 1.000 68.461 -28.162 -17.007 -99.200 -91.000 PHE 123 1.000 75.138 -28.636 -21.087 -99.200 -91.000 PHE 134 1.000 70.832 -27.274 -2.548 -99.200 -91.000 PHE 136 1.000 69.437 -26.205 2.439 -99.200 -91.000 PHE 157 1.000 61.504 -30.432 2.091 -99.200 -91.000 PHE 174 1.000 75.919 -33.081 -7.380 -99.200 -91.000 HIS 190 0.900 73.006 -14.429 1.344 -99.200 -91.000 TYR 198 0.840 76.124 -10.502 -15.245 -99.200 -91.000 PHE 209 1.000 59.455 -5.354 -0.045 -99.200 -91.000 TYR 217 0.840 73.880 -4.397 4.403 -99.200 -91.000 TRP 218 1.040 77.347 -5.962 -2.698 -99.200 -91.000 TRP6 218 1.020 78.627 -7.867 -3.313 -99.200 -91.000 PHE 248 1.000 63.507 -3.416 14.255 -99.200 -91.000 PHE 252 1.000 57.527 -8.080 20.836 -99.200 -91.000 TYR 260 0.840 42.147 -5.614 15.574 -99.200 -91.000 PHE 275 1.000 60.288 -5.103 9.441 -99.200 -91.000 PHE 295 1.000 34.337 -2.769 14.058 -99.200 -91.000 HIS 302 0.900 29.707 -9.479 8.173 -99.200 -91.000 PHE 309 1.000 34.925 -13.379 8.462 -99.200 -91.000 TYR 319 0.840 39.404 -15.154 0.941 -99.200 -91.000 HIS 328 0.900 33.214 -2.063 -12.366 -99.200 -91.000 PHE 329 1.000 29.588 4.092 -7.568 -99.200 -91.000 PHE 338 1.000 33.719 -10.842 3.495 -99.200 -91.000 PHE 359 1.000 40.829 1.562 -0.025 -99.200 -91.000 TYR 364 0.840 49.404 -2.519 9.863 -99.200 -91.000 PHE 366 1.000 50.370 -2.057 0.211 -99.200 -91.000 TYR 382 0.840 74.664 1.607 0.061 -99.200 -91.000 HIS 386 0.900 68.342 1.656 -10.207 -99.200 -91.000 TYR 396 0.840 47.934 -6.314 -1.182 -99.200 -91.000 PHE 399 1.000 54.630 -4.097 -0.592 -99.200 -91.000 TYR 411 0.840 65.876 8.147 2.924 -99.200 -91.000 TRP 413 1.040 63.717 11.361 -0.854 -99.200 -91.000 TRP6 413 1.020 63.382 9.166 -1.440 -99.200 -91.000