============================================================================= 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. TYR 20 0.840 1.704 -30.790 -7.874 -99.200 -91.000 PHE 31 1.000 1.626 -27.704 -23.129 -99.200 -91.000 HIS 33 0.900 -0.516 -21.879 -25.156 -99.200 -91.000 HIS 35 0.900 -0.523 -13.363 -22.411 -99.200 -91.000 PHE 39 1.000 -2.533 -12.263 -26.767 -99.200 -91.000 PHE 60 1.000 -9.343 -24.856 -20.032 -99.200 -91.000 PHE 64 1.000 -4.608 -22.142 -17.114 -99.200 -91.000 TRP 66 1.040 -1.460 -15.902 -16.225 -99.200 -91.000 TRP6 66 1.020 -3.215 -15.876 -17.808 -99.200 -91.000 PHE 91 1.000 -1.224 -10.648 -14.877 -99.200 -91.000 TYR 94 0.840 -8.479 -13.077 -18.831 -99.200 -91.000 HIS 110 0.900 8.717 -10.999 -22.185 -99.200 -91.000 PHE 114 1.000 11.076 0.701 -15.721 -99.200 -91.000 PHE 120 1.000 9.425 -7.319 -25.002 -99.200 -91.000 TYR 121 0.840 12.227 -8.634 -28.457 -99.200 -91.000 HIS 137 0.900 15.482 6.941 -16.216 -99.200 -91.000 HIS 138 0.900 15.942 1.667 -7.096 -99.200 -91.000 TYR 144 0.840 6.879 -3.094 -14.853 -99.200 -91.000 PHE 167 1.000 7.937 -11.392 -10.515 -99.200 -91.000 TRP 170 1.040 14.673 -8.573 -12.933 -99.200 -91.000 TRP6 170 1.020 13.955 -6.649 -14.125 -99.200 -91.000 HIS 171 0.900 12.186 -13.628 -19.678 -99.200 -91.000 TRP 177 1.040 16.999 -12.593 -25.942 -99.200 -91.000 TRP6 177 1.020 18.799 -14.116 -26.258 -99.200 -91.000 PHE 178 1.000 14.036 -10.646 -23.401 -99.200 -91.000 TRP 179 1.040 14.971 -3.076 -20.621 -99.200 -91.000 TRP6 179 1.020 15.210 -3.014 -18.256 -99.200 -91.000 TRP 180 1.040 15.993 -8.841 -18.544 -99.200 -91.000 TRP6 180 1.020 14.037 -7.895 -19.471 -99.200 -91.000 TYR 184 0.840 22.454 -4.789 -23.466 -99.200 -91.000 TYR 190 0.840 20.215 -11.321 -13.765 -99.200 -91.000 TYR 194 0.840 15.951 -13.285 -9.436 -99.200 -91.000 PHE 196 1.000 14.925 -2.702 -5.326 -99.200 -91.000 TYR 200 0.840 9.651 -2.080 -3.613 -99.200 -91.000 PHE 210 1.000 4.790 -12.556 -6.793 -99.200 -91.000 TYR 212 0.840 10.240 -14.057 -5.195 -99.200 -91.000 TRP 214 1.040 18.698 -16.791 -12.302 -99.200 -91.000 TRP6 214 1.020 20.102 -18.688 -12.480 -99.200 -91.000 PHE 220 1.000 22.970 -21.577 -19.754 -99.200 -91.000 TYR 227 0.840 21.565 -22.925 -14.899 -99.200 -91.000 TYR 231 0.840 21.813 -19.750 -7.585 -99.200 -91.000 PHE 236 1.000 18.934 -12.842 -2.405 -99.200 -91.000 TYR 245 0.840 11.311 -20.759 -27.210 -99.200 -91.000 PHE 253 1.000 16.857 -28.988 -29.230 -99.200 -91.000 PHE 277 1.000 12.738 -27.376 -21.894 -99.200 -91.000 PHE 280 1.000 7.806 -27.281 -24.501 -99.200 -91.000 TRP 296 1.040 11.210 -29.611 -32.072 -99.200 -91.000 TRP6 296 1.020 10.504 -28.642 -30.022 -99.200 -91.000 PHE 297 1.000 5.118 -29.401 -30.023 -99.200 -91.000 TYR 315 0.840 7.215 -24.738 -14.305 -99.200 -91.000 TRP 319 1.040 6.153 -16.568 -25.684 -99.200 -91.000 TRP6 319 1.020 6.581 -16.487 -23.346 -99.200 -91.000 HIS 327 0.900 0.072 -20.898 -34.865 -99.200 -91.000 PHE 328 1.000 6.312 -19.761 -30.023 -99.200 -91.000 PHE 340 1.000 0.321 -29.561 -27.945 -99.200 -91.000 TYR 343 0.840 4.317 -32.501 -25.005 -99.200 -91.000 PHE 348 1.000 7.717 -37.644 -17.480 -99.200 -91.000 PHE 351 1.000 -1.747 -31.428 -21.619 -99.200 -91.000 PHE 359 1.000 -2.451 -24.615 -6.103 -99.200 -91.000 HIS 373 0.900 22.002 -8.223 -1.428 -99.200 -91.000 TYR 415 0.840 17.133 -0.602 8.888 -99.200 -91.000 TRP 420 1.040 19.542 -1.324 0.096 -99.200 -91.000 TRP6 420 1.020 18.319 0.098 -1.347 -99.200 -91.000 TRP 421 1.040 22.001 -2.095 8.413 -99.200 -91.000 TRP6 421 1.020 22.612 -1.334 10.574 -99.200 -91.000 TRP 425 1.040 33.899 4.994 -1.123 -99.200 -91.000 TRP6 425 1.020 33.793 3.578 -3.019 -99.200 -91.000 TYR 430 0.840 38.488 2.456 -5.459 -99.200 -91.000