============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 4 0.900 -5.340 -2.644 -16.346 -99.200 -91.000 TYR 14 0.840 14.712 -16.097 -24.028 -99.200 -91.000 PHE 17 1.000 10.142 -8.572 -24.408 -99.200 -91.000 TYR 21 0.840 19.019 -10.582 -17.552 -99.200 -91.000 TYR 34 0.840 22.612 4.420 -6.520 -99.200 -91.000 TYR 37 0.840 32.920 2.222 -5.296 -99.200 -91.000 TYR 40 0.840 22.432 3.295 -10.225 -99.200 -91.000 TRP 49 1.040 8.392 -3.408 -2.555 -99.200 -91.000 TRP6 49 1.020 6.208 -3.908 -1.817 -99.200 -91.000 HIS 50 0.900 8.156 1.211 -2.791 -99.200 -91.000 TRP 55 1.040 -3.552 -5.627 -8.323 -99.200 -91.000 TRP6 55 1.020 -3.866 -7.698 -7.259 -99.200 -91.000 HIS 58 0.900 -10.160 -5.539 -1.552 -99.200 -91.000 TYR 65 0.840 -1.934 -3.735 -18.690 -99.200 -91.000 TYR 69 0.840 8.671 5.642 -10.294 -99.200 -91.000 PHE 71 1.000 1.404 9.117 -16.728 -99.200 -91.000 PHE 75 1.000 10.193 10.486 -10.785 -99.200 -91.000 PHE 87 1.000 11.855 7.490 -14.949 -99.200 -91.000 PHE 89 1.000 20.878 0.858 -14.077 -99.200 -91.000 HIS 94 0.900 11.143 3.166 -21.799 -99.200 -91.000 PHE 97 1.000 17.537 -2.471 -25.869 -99.200 -91.000 TRP 99 1.040 12.029 -2.459 -28.597 -99.200 -91.000 TRP6 99 1.020 11.681 -4.279 -27.144 -99.200 -91.000 PHE 106 1.000 8.972 2.127 -14.872 -99.200 -91.000 TRP 124 1.040 9.476 -9.568 -16.905 -99.200 -91.000 TRP6 124 1.020 9.488 -9.040 -19.203 -99.200 -91.000 TYR 151 0.840 0.757 -1.473 8.198 -99.200 -91.000 PHE 155 1.000 0.733 -2.992 2.194 -99.200 -91.000 PHE 156 1.000 3.341 -7.502 1.866 -99.200 -91.000 HIS 173 0.900 12.920 -4.711 3.529 -99.200 -91.000 HIS 179 0.900 19.611 4.557 0.905 -99.200 -91.000 TYR 185 0.840 12.237 3.572 9.747 -99.200 -91.000 PHE 196 1.000 17.389 -12.572 -3.587 -99.200 -91.000 PHE 200 1.000 14.452 -9.824 6.483 -99.200 -91.000 TYR 201 0.840 14.291 -14.925 5.175 -99.200 -91.000 TRP 209 1.040 18.193 -8.256 15.526 -99.200 -91.000 TRP6 209 1.020 19.270 -6.977 13.880 -99.200 -91.000 TRP 221 1.040 13.375 -3.694 16.642 -99.200 -91.000 TRP6 221 1.020 13.439 -4.438 18.874 -99.200 -91.000 TYR 227 0.840 25.319 -6.689 9.984 -99.200 -91.000 TYR 234 0.840 12.824 -7.457 16.872 -99.200 -91.000 TYR 242 0.840 4.132 -12.551 9.279 -99.200 -91.000 TYR 249 0.840 11.233 -18.818 3.204 -99.200 -91.000 PHE 256 1.000 15.066 -15.890 0.354 -99.200 -91.000 PHE 257 1.000 18.813 -17.999 -4.020 -99.200 -91.000 PHE 260 1.000 12.578 -12.560 -3.923 -99.200 -91.000 PHE 264 1.000 10.762 -9.310 -7.534 -99.200 -91.000 PHE 274 1.000 0.564 -12.305 -18.031 -99.200 -91.000 PHE 282 1.000 9.585 -14.031 -23.259 -99.200 -91.000 PHE 284 1.000 14.291 -12.293 -20.051 -99.200 -91.000