============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 10 0.840 -47.453 -6.684 -0.181 -99.200 -91.000 PHE 19 1.000 -45.857 -18.178 -25.122 -99.200 -91.000 HIS 21 0.900 -39.712 -20.639 -30.033 -99.200 -91.000 PHE 27 1.000 -35.138 -12.589 -21.899 -99.200 -91.000 TYR 31 0.840 -37.156 -7.002 -10.623 -99.200 -91.000 TYR 32 0.840 -42.267 -13.290 -8.092 -99.200 -91.000 TRP 44 1.040 -27.378 -6.041 -11.117 -99.200 -91.000 TRP6 44 1.020 -25.341 -4.865 -11.538 -99.200 -91.000 TYR 50 0.840 -27.898 -10.178 -20.840 -99.200 -91.000 PHE 51 1.000 -20.891 -9.079 -16.690 -99.200 -91.000 TRP 52 1.040 -18.447 -11.428 -23.910 -99.200 -91.000 TRP6 52 1.020 -18.963 -13.295 -25.265 -99.200 -91.000 PHE 57 1.000 -24.084 2.183 -23.576 -99.200 -91.000 HIS 61 0.900 -10.391 -2.870 -23.685 -99.200 -91.000 TRP 62 1.040 -11.994 -11.239 -25.220 -99.200 -91.000 TRP6 62 1.020 -9.994 -11.473 -23.964 -99.200 -91.000 PHE 72 1.000 -19.128 -4.178 -11.595 -99.200 -91.000 TRP 81 1.040 -33.528 -17.759 -9.900 -99.200 -91.000 TRP6 81 1.020 -34.012 -16.168 -11.634 -99.200 -91.000 TYR 91 0.840 -49.873 -9.475 -5.388 -99.200 -91.000 PHE 96 1.000 -37.806 0.520 -15.264 -99.200 -91.000 HIS 98 0.900 -33.541 -2.148 -21.993 -99.200 -91.000 PHE 103 1.000 -27.921 -6.041 -19.189 -99.200 -91.000 TYR 107 0.840 -32.858 0.726 -15.733 -99.200 -91.000 HIS 117 0.900 -43.112 0.378 -0.949 -99.200 -91.000 PHE 119 1.000 -47.177 -0.574 -7.426 -99.200 -91.000 HIS 126 0.900 -37.896 -2.216 -24.709 -99.200 -91.000 TYR 135 0.840 -31.168 -15.149 -23.438 -99.200 -91.000 TYR 136 0.840 -33.247 -14.432 -31.932 -99.200 -91.000 PHE 137 1.000 -33.721 -19.804 -26.045 -99.200 -91.000 TRP 150 1.040 -26.260 -14.604 -26.402 -99.200 -91.000 TRP6 150 1.020 -26.897 -13.293 -24.532 -99.200 -91.000 TYR 152 0.840 -23.649 -9.652 -28.728 -99.200 -91.000 HIS 163 0.900 -36.866 5.966 -40.475 -99.200 -91.000 HIS 188 0.900 -58.995 -12.349 -17.478 -99.200 -91.000 PHE 200 1.000 -43.429 -17.354 -10.554 -99.200 -91.000 HIS 219 0.900 -32.270 5.699 -16.724 -99.200 -91.000 PHE 221 1.000 -34.350 4.578 -27.379 -99.200 -91.000 PHE 236 1.000 -48.882 -0.095 -20.489 -99.200 -91.000 TRP 245 1.040 -32.049 10.934 -25.786 -99.200 -91.000 TRP6 245 1.020 -31.731 9.074 -27.199 -99.200 -91.000 PHE 247 1.000 -32.519 12.566 -31.797 -99.200 -91.000 TYR 254 0.840 -43.364 15.915 -28.179 -99.200 -91.000 PHE 262 1.000 -43.568 12.508 -10.547 -99.200 -91.000 PHE 263 1.000 -42.213 14.537 -18.664 -99.200 -91.000 TYR 268 0.840 -25.021 18.235 -11.923 -99.200 -91.000 PHE 269 1.000 -29.882 12.454 -20.166 -99.200 -91.000 TYR 271 0.840 -30.317 17.375 -23.769 -99.200 -91.000 TYR 282 0.840 -45.880 20.014 -17.909 -99.200 -91.000 HIS 298 0.900 -29.425 9.359 -18.189 -99.200 -91.000 PHE 301 1.000 -33.647 8.952 -12.099 -99.200 -91.000 PHE 304 1.000 -23.238 -1.495 -14.230 -99.200 -91.000 PHE 306 1.000 -28.345 1.814 -5.440 -99.200 -91.000 HIS 314 0.900 -18.410 13.095 -7.520 -99.200 -91.000 PHE 338 1.000 -48.062 10.800 -11.606 -99.200 -91.000 HIS 342 0.900 -52.651 10.838 -11.426 -99.200 -91.000 HIS 346 0.900 -58.779 1.534 -2.386 -99.200 -91.000 PHE 349 1.000 -47.844 2.793 -1.776 -99.200 -91.000 TRP 352 1.040 -43.400 8.733 1.171 -99.200 -91.000 TRP6 352 1.020 -43.906 6.450 0.729 -99.200 -91.000