============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 6 0.840 22.762 1.833 1.209 -99.200 -91.000 TYR 15 0.840 15.626 7.305 3.580 -99.200 -91.000 PHE 17 1.000 14.753 6.690 10.408 -99.200 -91.000 TYR 37 0.840 11.043 -14.362 16.485 -99.200 -91.000 TYR 45 0.840 20.893 -7.264 11.513 -99.200 -91.000 PHE 46 1.000 17.974 -6.841 16.904 -99.200 -91.000 TYR 98 0.840 0.505 -8.902 17.876 -99.200 -91.000 PHE 99 1.000 5.340 -15.476 13.950 -99.200 -91.000 PHE 107 1.000 -3.074 -9.290 6.089 -99.200 -91.000 HIS 116 0.900 -9.254 -3.545 18.882 -99.200 -91.000 HIS 120 0.900 2.255 -8.772 23.972 -99.200 -91.000 TRP 136 1.040 -6.969 -8.228 -0.724 -99.200 -91.000 TRP6 136 1.020 -6.813 -8.907 1.542 -99.200 -91.000 PHE 148 1.000 -5.802 -1.945 7.718 -99.200 -91.000 TYR 176 0.840 -1.086 0.179 -16.122 -99.200 -91.000 HIS 177 0.900 -4.976 -5.266 -11.451 -99.200 -91.000 PHE 180 1.000 -7.224 -3.673 1.853 -99.200 -91.000 TYR 186 0.840 -9.787 5.524 7.687 -99.200 -91.000 TRP 208 1.040 13.041 -2.120 -6.569 -99.200 -91.000 TRP6 208 1.020 11.454 -3.427 -5.389 -99.200 -91.000 PHE 225 1.000 -10.307 1.391 0.292 -99.200 -91.000 TRP 230 1.040 -6.680 12.253 4.201 -99.200 -91.000 TRP6 230 1.020 -5.027 10.934 3.115 -99.200 -91.000 TYR 263 0.840 16.824 -1.906 3.978 -99.200 -91.000 PHE 284 1.000 9.953 5.491 5.638 -99.200 -91.000 TYR 301 0.840 -5.591 8.557 9.160 -99.200 -91.000 TYR 307 0.840 -0.712 12.844 1.290 -99.200 -91.000 PHE 314 1.000 7.002 14.259 3.529 -99.200 -91.000 HIS 315 0.900 15.896 13.253 -1.584 -99.200 -91.000 TYR 331 0.840 -0.288 4.852 -12.347 -99.200 -91.000 TRP 337 1.040 1.256 11.417 -3.590 -99.200 -91.000 TRP6 337 1.020 0.331 10.208 -5.418 -99.200 -91.000