============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 1 1.000 12.960 -37.340 -19.740 -99.200 -91.000 TYR 7 0.840 15.605 -27.494 -16.627 -99.200 -91.000 PHE 8 1.000 18.137 -34.740 -11.055 -99.200 -91.000 TRP 21 1.040 18.515 -19.648 5.012 -99.200 -91.000 TRP6 21 1.020 17.799 -17.779 6.253 -99.200 -91.000 PHE 22 1.000 19.578 -28.326 10.818 -99.200 -91.000 HIS 23 0.900 25.351 -25.963 8.926 -99.200 -91.000 PHE 28 1.000 20.387 -13.994 14.930 -99.200 -91.000 TRP 46 1.040 16.622 -35.960 -5.289 -99.200 -91.000 TRP6 46 1.020 15.825 -37.814 -4.091 -99.200 -91.000 PHE 49 1.000 13.576 -31.326 -11.572 -99.200 -91.000 TYR 53 0.840 18.518 -39.381 -15.624 -99.200 -91.000 TYR 55 0.840 8.047 -41.403 -18.752 -99.200 -91.000 TYR 59 0.840 8.589 -46.212 -20.576 -99.200 -91.000 TYR 60 0.840 11.933 -39.894 -23.950 -99.200 -91.000 PHE 61 1.000 19.953 -47.288 -21.451 -99.200 -91.000 TYR 68 0.840 28.209 -43.852 -18.790 -99.200 -91.000 HIS 69 0.900 29.109 -44.726 -23.737 -99.200 -91.000 PHE 74 1.000 32.096 -37.398 -17.727 -99.200 -91.000 PHE 76 1.000 26.161 -30.567 -17.482 -99.200 -91.000 TYR 92 0.840 21.361 -37.220 10.879 -99.200 -91.000 TRP 94 1.040 11.880 -33.141 9.733 -99.200 -91.000 TRP6 94 1.020 12.113 -32.191 7.585 -99.200 -91.000 TRP 104 1.040 25.959 -45.486 4.115 -99.200 -91.000 TRP6 104 1.020 28.323 -45.426 4.025 -99.200 -91.000 PHE 113 1.000 28.696 -40.594 -13.692 -99.200 -91.000 TRP 122 1.040 42.819 -40.377 -16.500 -99.200 -91.000 TRP6 122 1.020 43.621 -41.232 -14.459 -99.200 -91.000 PHE 127 1.000 38.663 -33.928 -21.602 -99.200 -91.000 HIS 133 0.900 32.446 -27.534 -22.273 -99.200 -91.000 PHE 136 1.000 37.174 -33.775 -15.416 -99.200 -91.000 TYR 137 0.840 36.002 -27.072 -11.452 -99.200 -91.000 PHE 145 1.000 35.566 -30.540 -2.242 -99.200 -91.000 TYR 156 0.840 29.831 -44.042 9.115 -99.200 -91.000 HIS 157 0.900 33.190 -36.244 12.206 -99.200 -91.000 TYR 161 0.840 39.265 -34.710 8.179 -99.200 -91.000 PHE 163 1.000 34.052 -41.143 -0.117 -99.200 -91.000 PHE 164 1.000 38.458 -31.292 2.536 -99.200 -91.000 TRP 171 1.040 39.490 -26.641 -6.977 -99.200 -91.000 TRP6 171 1.020 39.916 -25.567 -4.926 -99.200 -91.000 PHE 174 1.000 38.879 -29.736 -15.032 -99.200 -91.000 HIS 181 0.900 39.403 -25.141 -23.573 -99.200 -91.000 PHE 191 1.000 28.733 -25.991 -24.935 -99.200 -91.000 PHE 203 1.000 33.080 -18.859 -1.872 -99.200 -91.000 TYR 209 0.840 39.279 -28.011 6.933 -99.200 -91.000 HIS 214 0.900 34.616 -32.322 15.280 -99.200 -91.000 TRP 225 1.040 34.832 -18.064 3.143 -99.200 -91.000 TRP6 225 1.020 34.033 -16.302 4.477 -99.200 -91.000 TYR 227 0.840 41.531 -19.692 -6.282 -99.200 -91.000 PHE 229 1.000 34.465 -14.065 0.193 -99.200 -91.000 PHE 233 1.000 35.911 -9.640 -4.730 -99.200 -91.000 PHE 234 1.000 39.896 -12.978 -11.128 -99.200 -91.000 PHE 239 1.000 25.279 -12.587 -14.354 -99.200 -91.000 TRP 241 1.040 32.122 -13.390 -22.481 -99.200 -91.000 TRP6 241 1.020 32.657 -15.378 -21.333 -99.200 -91.000 TRP 252 1.040 17.806 -22.549 -11.174 -99.200 -91.000 TRP6 252 1.020 17.547 -22.523 -8.836 -99.200 -91.000 PHE 254 1.000 27.052 -17.896 -11.983 -99.200 -91.000 PHE 268 1.000 35.454 -18.404 7.223 -99.200 -91.000 TYR 269 0.840 27.449 -13.796 12.866 -99.200 -91.000 HIS 270 0.900 27.114 -20.712 14.376 -99.200 -91.000 PHE 280 1.000 28.825 -8.930 -0.064 -99.200 -91.000 PHE 282 1.000 22.759 -16.697 5.543 -99.200 -91.000 PHE 284 1.000 26.667 -11.981 -4.335 -99.200 -91.000 TYR 298 0.840 8.863 -14.167 -17.120 -99.200 -91.000 PHE 305 1.000 11.540 -25.781 -14.926 -99.200 -91.000 PHE 306 1.000 9.026 -29.642 -16.619 -99.200 -91.000