============================================================================= 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 8.904 -1.665 17.522 -99.200 -91.000 TYR 15 0.840 10.713 -7.167 24.831 -99.200 -91.000 PHE 17 1.000 5.340 -6.424 29.221 -99.200 -91.000 TYR 37 0.840 2.186 14.428 35.832 -99.200 -91.000 TYR 45 0.840 1.273 7.395 24.696 -99.200 -91.000 PHE 46 1.000 -1.776 6.939 29.883 -99.200 -91.000 TYR 98 0.840 6.708 8.877 45.376 -99.200 -91.000 PHE 99 1.000 7.389 15.570 39.315 -99.200 -91.000 PHE 107 1.000 18.464 9.234 41.923 -99.200 -91.000 HIS 116 0.900 11.079 3.272 54.036 -99.200 -91.000 HIS 120 0.900 0.652 8.779 47.151 -99.200 -91.000 TRP 129 1.040 15.428 11.107 36.580 -99.200 -91.000 TRP6 129 1.020 15.872 13.339 35.897 -99.200 -91.000 TRP 136 1.040 26.303 8.324 41.593 -99.200 -91.000 TRP6 136 1.020 24.253 8.975 42.563 -99.200 -91.000 PHE 148 1.000 18.533 2.053 45.087 -99.200 -91.000 TYR 176 0.840 36.255 -0.029 28.532 -99.200 -91.000 HIS 177 0.900 34.325 5.370 34.340 -99.200 -91.000 PHE 180 1.000 24.221 3.750 43.217 -99.200 -91.000 TYR 186 0.840 20.744 -5.435 48.421 -99.200 -91.000 TRP 208 1.040 20.704 2.129 21.657 -99.200 -91.000 TRP6 208 1.020 20.592 3.442 23.603 -99.200 -91.000 PHE 225 1.000 27.243 -1.259 44.940 -99.200 -91.000 TRP 230 1.040 21.920 -12.089 43.970 -99.200 -91.000 TRP6 230 1.020 22.096 -10.747 42.012 -99.200 -91.000 TYR 263 0.840 9.852 1.990 24.084 -99.200 -91.000 PHE 284 1.000 11.932 -5.336 30.610 -99.200 -91.000 TYR 301 0.840 17.245 -8.466 45.665 -99.200 -91.000 TYR 307 0.840 21.327 -12.658 37.433 -99.200 -91.000 PHE 314 1.000 15.392 -14.161 32.083 -99.200 -91.000 HIS 315 0.900 15.080 -13.026 21.804 -99.200 -91.000 TYR 331 0.840 32.724 -4.819 29.906 -99.200 -91.000 TRP 337 1.040 24.451 -11.300 33.233 -99.200 -91.000 TRP6 337 1.020 26.484 -10.100 33.068 -99.200 -91.000