============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -31.448 -3.636 -17.985 -99.200 -91.000 HIS 11 0.900 -25.511 5.059 -20.890 -99.200 -91.000 HIS 13 0.900 -22.598 -1.970 -24.354 -99.200 -91.000 TYR 34 0.840 -40.616 -7.816 -15.448 -99.200 -91.000 TYR 43 0.840 -32.924 13.346 -28.387 -99.200 -91.000 TYR 57 0.840 -33.293 10.896 -8.529 -99.200 -91.000 PHE 67 1.000 -50.950 -0.310 -6.780 -99.200 -91.000 TRP 73 1.040 -43.086 13.195 -9.840 -99.200 -91.000 TRP6 73 1.020 -42.509 15.484 -9.617 -99.200 -91.000 PHE 77 1.000 -40.136 19.512 -6.487 -99.200 -91.000 PHE 81 1.000 -29.784 21.156 -0.797 -99.200 -91.000 TRP 82 1.040 -28.060 18.022 -5.311 -99.200 -91.000 TRP6 82 1.020 -27.209 20.217 -5.062 -99.200 -91.000 PHE 91 1.000 -38.030 18.235 -12.422 -99.200 -91.000 PHE 97 1.000 -35.803 4.751 -10.384 -99.200 -91.000 PHE 101 1.000 -41.767 4.016 -8.890 -99.200 -91.000 TRP 102 1.040 -48.176 6.093 -13.059 -99.200 -91.000 TRP6 102 1.020 -50.475 6.209 -12.476 -99.200 -91.000 TYR 114 0.840 -56.650 2.190 -22.119 -99.200 -91.000 TYR 128 0.840 -45.360 14.808 -35.691 -99.200 -91.000 PHE 134 1.000 -31.960 13.515 -38.774 -99.200 -91.000 TRP 136 1.040 -41.681 7.362 -43.356 -99.200 -91.000 TRP6 136 1.020 -41.784 7.886 -41.048 -99.200 -91.000 TYR 149 0.840 -34.962 18.273 -47.027 -99.200 -91.000 TYR 161 0.840 -47.060 7.634 -40.954 -99.200 -91.000 HIS 171 0.900 -29.386 17.824 -41.937 -99.200 -91.000 PHE 181 1.000 -24.061 30.685 -35.111 -99.200 -91.000 HIS 216 0.900 -34.009 18.752 -34.468 -99.200 -91.000 HIS 218 0.900 -30.160 22.724 -34.905 -99.200 -91.000 PHE 227 1.000 -37.487 28.772 -42.546 -99.200 -91.000 PHE 234 1.000 -44.363 27.872 -49.107 -99.200 -91.000 PHE 237 1.000 -51.447 20.427 -37.549 -99.200 -91.000 PHE 238 1.000 -47.047 21.004 -34.007 -99.200 -91.000 TYR 239 0.840 -41.029 28.379 -36.874 -99.200 -91.000 TYR 269 0.840 -36.130 19.254 -19.032 -99.200 -91.000 TRP 272 1.040 -42.495 24.010 -9.562 -99.200 -91.000 TRP6 272 1.020 -43.209 21.818 -9.014 -99.200 -91.000 PHE 274 1.000 -43.986 21.723 -20.530 -99.200 -91.000 PHE 277 1.000 -41.572 28.243 -22.092 -99.200 -91.000 PHE 296 1.000 -47.330 6.365 -18.057 -99.200 -91.000 PHE 299 1.000 -48.090 13.530 -21.333 -99.200 -91.000 HIS 307 0.900 -58.789 20.866 -21.652 -99.200 -91.000 PHE 309 1.000 -52.901 28.832 -18.410 -99.200 -91.000 HIS 316 0.900 -38.964 14.482 -27.742 -99.200 -91.000 HIS 329 0.900 -50.894 2.213 -22.063 -99.200 -91.000 PHE 337 1.000 -53.208 12.818 -29.552 -99.200 -91.000 HIS 340 0.900 -47.447 8.819 -30.795 -99.200 -91.000 HIS 342 0.900 -43.805 5.475 -35.593 -99.200 -91.000 HIS 343 0.900 -37.057 10.415 -34.316 -99.200 -91.000 TYR 351 0.840 -33.451 3.441 -30.718 -99.200 -91.000 HIS 357 0.900 -45.614 -7.264 -27.010 -99.200 -91.000 TYR 359 0.840 -47.266 -2.118 -28.693 -99.200 -91.000 TYR 366 0.840 -48.252 4.275 -32.809 -99.200 -91.000 TYR 383 0.840 -30.962 -8.517 -18.071 -99.200 -91.000 TYR 388 0.840 -27.564 -5.628 -14.923 -99.200 -91.000