============================================================================= 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 8 1.000 15.673 35.874 11.106 -99.200 -91.000 HIS 12 0.900 13.252 30.052 7.020 -99.200 -91.000 PHE 49 1.000 15.710 14.470 -8.748 -99.200 -91.000 TRP 59 1.040 22.098 25.730 -10.298 -99.200 -91.000 TRP6 59 1.020 22.009 23.533 -9.392 -99.200 -91.000 PHE 61 1.000 22.079 28.900 1.031 -99.200 -91.000 PHE 73 1.000 12.234 15.305 1.452 -99.200 -91.000 PHE 74 1.000 14.515 10.688 -5.041 -99.200 -91.000 HIS 81 0.900 13.023 1.495 1.344 -99.200 -91.000 HIS 83 0.900 20.098 -1.394 -0.426 -99.200 -91.000 HIS 113 0.900 19.273 21.203 2.954 -99.200 -91.000 TRP 117 1.040 15.917 26.606 3.465 -99.200 -91.000 TRP6 117 1.020 18.195 25.957 3.705 -99.200 -91.000 TYR 128 0.840 12.878 11.638 4.155 -99.200 -91.000 HIS 136 0.900 -0.916 16.572 10.755 -99.200 -91.000 PHE 159 1.000 27.337 38.361 25.583 -99.200 -91.000 PHE 168 1.000 19.136 41.959 30.708 -99.200 -91.000 TYR 178 0.840 10.112 37.604 18.026 -99.200 -91.000 TYR 188 0.840 0.319 21.492 14.154 -99.200 -91.000 TYR 190 0.840 2.486 16.338 24.381 -99.200 -91.000 PHE 192 1.000 -3.518 18.945 14.728 -99.200 -91.000 PHE 198 1.000 9.198 10.456 15.367 -99.200 -91.000 TYR 199 0.840 10.269 2.854 17.807 -99.200 -91.000 PHE 205 1.000 11.202 6.662 5.110 -99.200 -91.000 TYR 206 0.840 13.274 11.600 10.199 -99.200 -91.000 TYR 216 0.840 28.676 14.474 6.742 -99.200 -91.000 PHE 227 1.000 23.221 23.352 18.265 -99.200 -91.000 HIS 231 0.900 28.093 28.015 22.982 -99.200 -91.000 TRP 234 1.040 20.925 28.011 29.264 -99.200 -91.000 TRP6 234 1.020 21.851 25.848 29.526 -99.200 -91.000 TYR 243 0.840 25.059 22.527 27.226 -99.200 -91.000 PHE 246 1.000 22.181 18.866 22.250 -99.200 -91.000 TYR 250 0.840 22.326 16.858 17.230 -99.200 -91.000 TYR 253 0.840 24.469 17.472 11.012 -99.200 -91.000 TYR 258 0.840 21.248 31.107 12.780 -99.200 -91.000 TYR 262 0.840 28.878 26.287 19.760 -99.200 -91.000 PHE 265 1.000 27.971 35.798 21.730 -99.200 -91.000 HIS 288 0.900 15.415 51.063 34.982 -99.200 -91.000 PHE 300 1.000 17.550 30.801 31.830 -99.200 -91.000 PHE 306 1.000 11.625 22.503 22.925 -99.200 -91.000 HIS 310 0.900 11.869 17.259 22.579 -99.200 -91.000 TYR 318 0.840 13.645 6.977 21.508 -99.200 -91.000 TYR 333 0.840 13.244 21.833 35.656 -99.200 -91.000