============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 11 1.000 27.366 16.422 2.692 -99.200 -91.000 TYR 14 0.840 30.974 12.329 3.460 -99.200 -91.000 HIS 27 0.900 18.900 5.792 22.297 -99.200 -91.000 HIS 31 0.900 13.234 4.452 15.483 -99.200 -91.000 PHE 41 1.000 19.109 8.811 2.642 -99.200 -91.000 TYR 55 0.840 21.253 -3.669 15.663 -99.200 -91.000 PHE 58 1.000 14.024 -7.263 14.189 -99.200 -91.000 PHE 64 1.000 25.678 -5.705 9.786 -99.200 -91.000 TYR 66 0.840 30.579 -7.330 12.676 -99.200 -91.000 PHE 70 1.000 28.467 -1.492 20.353 -99.200 -91.000 HIS 92 0.900 22.195 5.603 18.988 -99.200 -91.000 PHE 95 1.000 27.897 8.663 17.881 -99.200 -91.000 TYR 98 0.840 28.641 1.574 24.471 -99.200 -91.000 PHE 108 1.000 32.063 10.289 15.212 -99.200 -91.000 PHE 113 1.000 18.918 14.998 11.144 -99.200 -91.000 TRP 121 1.040 23.416 24.095 25.945 -99.200 -91.000 TRP6 121 1.020 22.301 25.899 26.977 -99.200 -91.000 TYR 143 0.840 11.391 20.896 47.508 -99.200 -91.000 PHE 157 1.000 20.715 9.962 46.038 -99.200 -91.000 TYR 163 0.840 16.453 7.361 39.738 -99.200 -91.000 PHE 164 1.000 16.408 8.901 49.262 -99.200 -91.000 PHE 172 1.000 18.187 13.396 51.529 -99.200 -91.000 TYR 173 0.840 19.708 14.063 56.548 -99.200 -91.000 HIS 194 0.900 17.655 17.665 40.820 -99.200 -91.000 TYR 198 0.840 6.714 10.668 43.023 -99.200 -91.000 PHE 204 1.000 0.130 11.570 28.606 -99.200 -91.000 HIS 207 0.900 9.385 9.932 21.856 -99.200 -91.000 TYR 208 0.840 7.214 18.131 21.269 -99.200 -91.000 PHE 209 1.000 12.627 15.786 12.069 -99.200 -91.000 TYR 210 0.840 12.968 23.863 13.769 -99.200 -91.000 TYR 226 0.840 6.563 -2.507 31.449 -99.200 -91.000 TYR 250 0.840 11.694 5.170 40.329 -99.200 -91.000 PHE 269 1.000 1.306 20.012 17.571 -99.200 -91.000 PHE 291 1.000 11.819 19.326 20.313 -99.200 -91.000 PHE 306 1.000 10.134 12.737 33.828 -99.200 -91.000 PHE 319 1.000 6.925 7.189 17.285 -99.200 -91.000 TYR 325 0.840 -0.739 11.850 18.894 -99.200 -91.000 PHE 327 1.000 -2.979 6.465 9.214 -99.200 -91.000 TYR 329 0.840 2.701 14.905 10.707 -99.200 -91.000