============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 10 0.840 47.672 48.371 0.329 -99.200 -91.000 TRP 22 1.040 36.193 36.295 5.413 -99.200 -91.000 TRP6 22 1.020 37.146 34.155 5.752 -99.200 -91.000 TYR 24 0.840 33.885 47.315 6.059 -99.200 -91.000 PHE 25 1.000 31.281 43.239 4.293 -99.200 -91.000 TYR 26 0.840 30.917 38.184 7.417 -99.200 -91.000 PHE 33 1.000 38.889 47.075 8.151 -99.200 -91.000 PHE 34 1.000 37.494 51.874 8.210 -99.200 -91.000 TYR 41 0.840 48.582 49.369 10.511 -99.200 -91.000 TYR 46 0.840 44.605 52.587 9.185 -99.200 -91.000 PHE 55 1.000 36.585 36.039 -9.012 -99.200 -91.000 PHE 71 1.000 36.520 62.570 5.373 -99.200 -91.000 PHE 75 1.000 35.500 67.461 2.389 -99.200 -91.000 PHE 86 1.000 26.941 58.059 -5.011 -99.200 -91.000 TYR 90 0.840 30.771 48.342 -5.835 -99.200 -91.000 TYR 100 0.840 21.460 57.836 -20.367 -99.200 -91.000 TYR 105 0.840 27.958 55.954 -9.918 -99.200 -91.000 HIS 113 0.900 29.992 67.906 -11.543 -99.200 -91.000 PHE 121 1.000 23.618 73.359 -7.829 -99.200 -91.000 PHE 122 1.000 14.176 74.937 -13.230 -99.200 -91.000 PHE 132 1.000 9.217 76.361 5.464 -99.200 -91.000 PHE 135 1.000 9.131 67.600 6.977 -99.200 -91.000 TYR 139 0.840 7.987 63.704 7.119 -99.200 -91.000 PHE 143 1.000 5.960 62.869 13.633 -99.200 -91.000 PHE 158 1.000 10.508 58.095 11.966 -99.200 -91.000 PHE 167 1.000 8.763 58.000 -4.136 -99.200 -91.000 PHE 169 1.000 9.286 66.721 1.928 -99.200 -91.000 PHE 174 1.000 12.953 66.953 -4.442 -99.200 -91.000 TYR 175 0.840 10.068 64.966 -9.159 -99.200 -91.000 TRP 195 1.040 18.032 50.840 -8.904 -99.200 -91.000 TRP6 195 1.020 18.245 53.079 -8.142 -99.200 -91.000 PHE 198 1.000 19.173 42.874 -7.683 -99.200 -91.000 HIS 201 0.900 25.667 42.634 -4.588 -99.200 -91.000 HIS 218 0.900 29.658 40.374 1.618 -99.200 -91.000 PHE 220 1.000 31.577 35.423 -9.109 -99.200 -91.000 TYR 231 0.840 16.013 52.345 -13.171 -99.200 -91.000 TYR 235 0.840 12.715 56.279 -17.673 -99.200 -91.000 PHE 237 1.000 5.999 59.115 -9.140 -99.200 -91.000 PHE 238 1.000 11.424 59.561 -9.668 -99.200 -91.000 HIS 261 0.900 17.311 56.051 -17.225 -99.200 -91.000 PHE 265 1.000 22.175 57.214 -8.357 -99.200 -91.000 PHE 269 1.000 22.375 55.005 -4.305 -99.200 -91.000 TRP 272 1.040 12.618 57.012 0.223 -99.200 -91.000 TRP6 272 1.020 13.433 54.785 0.301 -99.200 -91.000 PHE 279 1.000 13.803 63.320 8.093 -99.200 -91.000 HIS 291 0.900 11.347 61.868 28.924 -99.200 -91.000 HIS 294 0.900 12.963 64.166 24.019 -99.200 -91.000 TYR 328 0.840 24.242 73.314 11.428 -99.200 -91.000 PHE 333 1.000 27.088 60.424 18.635 -99.200 -91.000 TYR 341 0.840 35.924 54.423 -1.266 -99.200 -91.000 HIS 353 0.900 44.366 66.251 14.279 -99.200 -91.000 PHE 357 1.000 51.238 59.911 7.542 -99.200 -91.000 TYR 366 0.840 37.213 54.464 3.465 -99.200 -91.000 TYR 368 0.840 33.662 54.700 9.556 -99.200 -91.000 PHE 379 1.000 33.652 68.607 16.222 -99.200 -91.000 PHE 385 1.000 22.667 64.186 19.711 -99.200 -91.000 PHE 390 1.000 28.190 71.667 15.642 -99.200 -91.000 HIS 401 0.900 37.151 71.675 12.041 -99.200 -91.000 TRP 404 1.040 25.524 67.337 6.171 -99.200 -91.000 TRP6 404 1.020 24.260 66.939 4.195 -99.200 -91.000 PHE 425 1.000 14.844 68.822 0.110 -99.200 -91.000 PHE 433 1.000 11.842 63.562 11.761 -99.200 -91.000 PHE 438 1.000 11.275 67.740 20.322 -99.200 -91.000 TYR 441 0.840 4.272 63.721 19.169 -99.200 -91.000 PHE 444 1.000 11.248 61.853 20.583 -99.200 -91.000 PHE 459 1.000 8.532 58.329 17.538 -99.200 -91.000