============================================================================= 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. TRP 14 1.040 33.904 -1.695 2.630 -99.200 -91.000 TRP6 14 1.020 35.472 -3.451 2.404 -99.200 -91.000 PHE 19 1.000 30.331 15.226 4.017 -99.200 -91.000 TRP 37 1.040 26.608 1.430 -10.587 -99.200 -91.000 TRP6 37 1.020 24.416 2.271 -10.844 -99.200 -91.000 HIS 43 0.900 16.982 5.812 6.682 -99.200 -91.000 TYR 47 0.840 11.405 8.817 7.183 -99.200 -91.000 TRP 49 1.040 12.926 12.232 10.321 -99.200 -91.000 TRP6 49 1.020 15.002 11.828 11.384 -99.200 -91.000 PHE 53 1.000 18.689 15.778 1.249 -99.200 -91.000 HIS 65 0.900 41.765 7.003 9.820 -99.200 -91.000 TYR 70 0.840 41.783 17.681 0.853 -99.200 -91.000 TYR 84 0.840 19.316 4.664 -11.010 -99.200 -91.000 HIS 86 0.900 12.840 -2.214 -3.819 -99.200 -91.000 TYR 89 0.840 11.895 4.331 1.284 -99.200 -91.000 TRP 91 1.040 7.755 7.705 2.238 -99.200 -91.000 TRP6 91 1.020 6.282 9.199 3.331 -99.200 -91.000 PHE 110 1.000 37.663 0.475 -7.802 -99.200 -91.000 TYR 113 0.840 45.222 5.129 1.785 -99.200 -91.000 HIS 115 0.900 39.549 -3.220 -3.471 -99.200 -91.000 TYR 132 0.840 27.334 -17.819 12.192 -99.200 -91.000 TRP 139 1.040 33.940 9.575 9.985 -99.200 -91.000 TRP6 139 1.020 34.352 8.554 7.896 -99.200 -91.000 PHE 178 1.000 20.958 -8.011 8.978 -99.200 -91.000 TYR 182 0.840 27.891 -7.537 21.734 -99.200 -91.000 PHE 201 1.000 25.685 -6.612 10.320 -99.200 -91.000 PHE 207 1.000 31.964 -20.631 4.216 -99.200 -91.000 TRP 211 1.040 36.726 -7.768 4.970 -99.200 -91.000 TRP6 211 1.020 35.890 -7.760 7.186 -99.200 -91.000 TYR 212 0.840 31.003 -12.173 0.038 -99.200 -91.000 TRP 219 1.040 14.077 0.305 11.204 -99.200 -91.000 TRP6 219 1.020 12.869 -0.277 13.150 -99.200 -91.000 TYR 229 0.840 18.167 -6.735 20.687 -99.200 -91.000 PHE 231 1.000 14.627 -3.927 14.276 -99.200 -91.000 TYR 232 0.840 22.269 -3.246 11.342 -99.200 -91.000 HIS 234 0.900 18.345 -10.698 4.187 -99.200 -91.000 PHE 236 1.000 20.851 -13.855 -1.220 -99.200 -91.000 TRP 241 1.040 15.721 -2.132 -7.209 -99.200 -91.000 TRP6 241 1.020 17.164 -0.691 -6.012 -99.200 -91.000 PHE 249 1.000 24.296 1.017 -16.438 -99.200 -91.000