============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 8 0.840 33.141 28.415 16.548 -99.200 -91.000 TYR 17 0.840 22.421 26.421 4.690 -99.200 -91.000 PHE 18 1.000 19.794 24.719 11.736 -99.200 -91.000 PHE 28 1.000 9.239 33.170 18.881 -99.200 -91.000 TYR 40 0.840 24.770 18.942 22.744 -99.200 -91.000 TRP 47 1.040 10.331 9.044 23.259 -99.200 -91.000 TRP6 47 1.020 11.850 7.868 24.634 -99.200 -91.000 TYR 56 0.840 0.178 21.235 23.749 -99.200 -91.000 HIS 65 0.900 -0.122 10.091 9.051 -99.200 -91.000 PHE 70 1.000 9.665 17.939 8.786 -99.200 -91.000 PHE 75 1.000 15.563 22.997 14.590 -99.200 -91.000 PHE 78 1.000 14.947 23.862 8.825 -99.200 -91.000 HIS 102 0.900 18.178 20.482 18.951 -99.200 -91.000 TYR 121 0.840 17.705 20.657 28.694 -99.200 -91.000 TYR 133 0.840 25.449 16.376 17.358 -99.200 -91.000 TYR 134 0.840 31.161 8.926 13.783 -99.200 -91.000 HIS 135 0.900 26.436 5.788 14.373 -99.200 -91.000 PHE 136 1.000 20.833 14.572 13.026 -99.200 -91.000 TYR 137 0.840 28.513 16.658 13.017 -99.200 -91.000 HIS 138 0.900 29.544 9.251 9.110 -99.200 -91.000 HIS 143 0.900 24.563 17.995 11.339 -99.200 -91.000 TRP 149 1.040 33.996 6.629 18.158 -99.200 -91.000 TRP6 149 1.020 32.282 8.002 19.042 -99.200 -91.000 PHE 152 1.000 30.775 13.756 16.266 -99.200 -91.000 PHE 156 1.000 29.744 14.974 22.921 -99.200 -91.000 TYR 163 0.840 21.917 23.519 17.499 -99.200 -91.000 TRP 166 1.040 25.573 16.274 26.708 -99.200 -91.000 TRP6 166 1.020 26.367 15.736 28.872 -99.200 -91.000 TYR 167 0.840 31.217 17.482 28.206 -99.200 -91.000 HIS 169 0.900 21.631 22.684 25.291 -99.200 -91.000 TRP 173 1.040 19.138 25.051 28.126 -99.200 -91.000 TRP6 173 1.020 17.066 26.022 27.520 -99.200 -91.000 TRP 174 1.040 20.624 20.892 37.482 -99.200 -91.000 TRP6 174 1.020 18.952 19.257 37.846 -99.200 -91.000 HIS 180 0.900 11.478 30.293 31.999 -99.200 -91.000 TYR 184 0.840 17.706 18.925 33.104 -99.200 -91.000 PHE 186 1.000 18.186 13.531 34.086 -99.200 -91.000 TYR 187 0.840 17.044 8.236 24.946 -99.200 -91.000 PHE 204 1.000 6.462 21.964 32.846 -99.200 -91.000 PHE 216 1.000 -4.037 5.396 20.743 -99.200 -91.000 HIS 220 0.900 -0.311 4.401 18.434 -99.200 -91.000 PHE 223 1.000 13.959 2.995 17.730 -99.200 -91.000 TYR 234 0.840 12.948 14.604 11.591 -99.200 -91.000 PHE 241 1.000 17.294 20.349 3.314 -99.200 -91.000 HIS 244 0.900 15.934 9.018 7.036 -99.200 -91.000 PHE 249 1.000 15.853 11.979 13.790 -99.200 -91.000 TRP 258 1.040 27.497 4.254 26.825 -99.200 -91.000 TRP6 258 1.020 29.609 3.659 27.717 -99.200 -91.000 PHE 262 1.000 32.277 6.781 24.210 -99.200 -91.000 PHE 270 1.000 32.717 11.251 27.307 -99.200 -91.000 TYR 274 0.840 30.207 13.032 32.627 -99.200 -91.000 PHE 285 1.000 23.157 13.898 32.444 -99.200 -91.000