============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 6 0.840 -12.750 -1.673 -19.087 -99.200 -91.000 TYR 15 0.840 -11.151 -7.053 -11.789 -99.200 -91.000 PHE 17 1.000 -16.639 -6.331 -7.561 -99.200 -91.000 TYR 37 0.840 -19.945 14.540 -1.042 -99.200 -91.000 TYR 45 0.840 -20.686 7.522 -12.045 -99.200 -91.000 PHE 46 1.000 -23.741 7.042 -6.868 -99.200 -91.000 TYR 98 0.840 -15.743 8.970 8.665 -99.200 -91.000 PHE 99 1.000 -14.856 15.615 2.636 -99.200 -91.000 PHE 107 1.000 -3.881 9.308 5.594 -99.200 -91.000 HIS 116 0.900 -11.554 3.366 17.447 -99.200 -91.000 HIS 120 0.900 -21.858 8.802 10.294 -99.200 -91.000 TRP 129 1.040 -6.767 11.212 0.096 -99.200 -91.000 TRP6 129 1.020 -6.226 13.434 -0.549 -99.200 -91.000 TRP 136 1.040 3.948 8.402 5.504 -99.200 -91.000 TRP6 136 1.020 1.841 9.040 6.334 -99.200 -91.000 PHE 148 1.000 -3.953 2.101 8.754 -99.200 -91.000 TYR 176 0.840 14.282 0.067 -7.191 -99.200 -91.000 HIS 177 0.900 12.049 5.451 -1.503 -99.200 -91.000 PHE 180 1.000 1.712 3.787 7.020 -99.200 -91.000 TYR 186 0.840 -1.834 -5.376 12.126 -99.200 -91.000 TRP 208 1.040 -1.034 2.216 -14.672 -99.200 -91.000 TRP6 208 1.020 -1.229 3.524 -12.724 -99.200 -91.000 PHE 225 1.000 4.777 -1.189 8.749 -99.200 -91.000 TRP 230 1.040 -0.500 -12.092 7.657 -99.200 -91.000 TRP6 230 1.020 -0.291 -10.718 5.727 -99.200 -91.000 TYR 263 0.840 -11.946 2.048 -12.508 -99.200 -91.000 PHE 284 1.000 -10.098 -5.266 -5.958 -99.200 -91.000 TYR 301 0.840 -5.230 -8.402 9.259 -99.200 -91.000 TYR 307 0.840 -0.912 -12.613 1.069 -99.200 -91.000 PHE 314 1.000 -6.660 -14.190 -4.373 -99.200 -91.000 HIS 315 0.900 -6.812 -12.985 -14.688 -99.200 -91.000 TYR 331 0.840 10.727 -4.674 -6.018 -99.200 -91.000 TRP 337 1.040 2.293 -11.234 -3.053 -99.200 -91.000 TRP6 337 1.020 4.326 -10.014 -3.161 -99.200 -91.000