============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 2 1.000 9.916 -33.410 -20.024 -99.200 -91.000 TYR 8 0.840 15.716 -27.944 -16.686 -99.200 -91.000 PHE 9 1.000 18.206 -35.080 -11.154 -99.200 -91.000 TRP 22 1.040 18.771 -19.708 4.921 -99.200 -91.000 TRP6 22 1.020 18.075 -17.813 6.109 -99.200 -91.000 PHE 23 1.000 19.708 -28.467 10.773 -99.200 -91.000 HIS 24 0.900 25.199 -26.522 8.765 -99.200 -91.000 PHE 29 1.000 20.983 -14.318 14.773 -99.200 -91.000 TRP 46 1.040 16.736 -36.130 -5.156 -99.200 -91.000 TRP6 46 1.020 15.826 -37.848 -3.830 -99.200 -91.000 PHE 49 1.000 13.667 -31.387 -11.582 -99.200 -91.000 TYR 52 0.840 18.715 -39.525 -15.560 -99.200 -91.000 TYR 54 0.840 8.248 -41.511 -19.072 -99.200 -91.000 TYR 58 0.840 8.568 -45.878 -20.747 -99.200 -91.000 TYR 59 0.840 12.208 -40.006 -23.995 -99.200 -91.000 PHE 60 1.000 20.199 -47.519 -21.318 -99.200 -91.000 TYR 67 0.840 28.458 -44.069 -18.622 -99.200 -91.000 HIS 68 0.900 28.913 -45.066 -23.571 -99.200 -91.000 PHE 73 1.000 32.296 -37.510 -17.618 -99.200 -91.000 PHE 75 1.000 26.309 -30.720 -17.496 -99.200 -91.000 TYR 90 0.840 21.580 -37.297 10.867 -99.200 -91.000 TRP 92 1.040 12.117 -33.059 9.665 -99.200 -91.000 TRP6 92 1.020 12.388 -32.092 7.537 -99.200 -91.000 TRP 102 1.040 26.202 -45.501 4.213 -99.200 -91.000 TRP6 102 1.020 28.566 -45.444 4.054 -99.200 -91.000 PHE 111 1.000 28.979 -40.662 -13.717 -99.200 -91.000 TRP 120 1.040 43.019 -40.521 -16.201 -99.200 -91.000 TRP6 120 1.020 43.964 -41.481 -14.278 -99.200 -91.000 PHE 125 1.000 38.864 -34.127 -21.652 -99.200 -91.000 HIS 131 0.900 32.715 -27.696 -22.218 -99.200 -91.000 PHE 134 1.000 37.273 -33.912 -15.240 -99.200 -91.000 TYR 135 0.840 36.205 -27.156 -11.503 -99.200 -91.000 PHE 143 1.000 35.939 -30.642 -2.308 -99.200 -91.000 TYR 154 0.840 30.116 -44.218 9.199 -99.200 -91.000 HIS 155 0.900 33.372 -36.436 12.308 -99.200 -91.000 TYR 159 0.840 39.525 -34.830 8.229 -99.200 -91.000 PHE 161 1.000 34.267 -41.189 -0.183 -99.200 -91.000 PHE 162 1.000 38.739 -31.440 2.501 -99.200 -91.000 TRP 168 1.040 39.748 -26.744 -6.947 -99.200 -91.000 TRP6 168 1.020 40.083 -25.705 -4.874 -99.200 -91.000 PHE 171 1.000 39.134 -29.999 -15.141 -99.200 -91.000 HIS 178 0.900 39.678 -25.291 -23.548 -99.200 -91.000 PHE 188 1.000 28.980 -26.149 -24.851 -99.200 -91.000 PHE 199 1.000 33.284 -19.145 -1.778 -99.200 -91.000 TYR 205 0.840 39.503 -28.226 6.950 -99.200 -91.000 HIS 210 0.900 34.519 -32.787 15.241 -99.200 -91.000 TRP 221 1.040 35.020 -18.255 3.180 -99.200 -91.000 TRP6 221 1.020 34.221 -16.525 4.566 -99.200 -91.000 TYR 223 0.840 41.749 -19.948 -6.367 -99.200 -91.000 PHE 225 1.000 34.670 -14.308 0.188 -99.200 -91.000 PHE 229 1.000 36.112 -9.939 -4.580 -99.200 -91.000 PHE 230 1.000 40.278 -13.227 -10.981 -99.200 -91.000 PHE 235 1.000 25.653 -12.611 -14.366 -99.200 -91.000 TRP 237 1.040 32.630 -13.649 -22.508 -99.200 -91.000 TRP6 237 1.020 33.128 -15.622 -21.319 -99.200 -91.000 TRP 248 1.040 18.206 -22.486 -11.140 -99.200 -91.000 TRP6 248 1.020 17.886 -22.547 -8.800 -99.200 -91.000 PHE 250 1.000 27.445 -17.791 -11.954 -99.200 -91.000 PHE 252 1.000 27.619 -28.145 -5.290 -99.200 -91.000 PHE 263 1.000 35.673 -18.594 7.221 -99.200 -91.000 TYR 264 0.840 27.770 -13.811 12.910 -99.200 -91.000 HIS 265 0.900 27.280 -20.892 14.517 -99.200 -91.000 PHE 275 1.000 29.426 -9.503 -0.087 -99.200 -91.000 PHE 277 1.000 22.964 -16.860 5.527 -99.200 -91.000 PHE 279 1.000 26.834 -11.774 -4.276 -99.200 -91.000 TYR 291 0.840 9.376 -14.039 -17.005 -99.200 -91.000 PHE 298 1.000 11.917 -25.965 -14.788 -99.200 -91.000 PHE 299 1.000 9.736 -29.447 -17.154 -99.200 -91.000