============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 10 0.840 -20.735 30.351 18.411 -99.200 -91.000 TRP 22 1.040 -7.596 32.266 7.198 -99.200 -91.000 TRP6 22 1.020 -8.531 32.576 5.030 -99.200 -91.000 TYR 24 0.840 -6.285 33.804 18.379 -99.200 -91.000 PHE 25 1.000 -3.636 31.180 14.898 -99.200 -91.000 TYR 26 0.840 -2.249 33.586 9.605 -99.200 -91.000 PHE 33 1.000 -10.848 36.558 17.320 -99.200 -91.000 PHE 34 1.000 -9.978 37.049 22.229 -99.200 -91.000 TYR 41 0.840 -20.177 40.732 18.483 -99.200 -91.000 TYR 46 0.840 -16.806 39.057 22.132 -99.200 -91.000 PHE 55 1.000 -10.271 17.810 8.529 -99.200 -91.000 PHE 71 1.000 -10.182 35.373 33.246 -99.200 -91.000 PHE 75 1.000 -9.970 32.969 38.542 -99.200 -91.000 TYR 90 0.840 -5.261 21.655 21.020 -99.200 -91.000 TYR 100 0.840 0.739 7.268 33.284 -99.200 -91.000 TYR 105 0.840 -3.706 18.243 29.399 -99.200 -91.000 HIS 113 0.900 -6.734 18.706 41.247 -99.200 -91.000 PHE 121 1.000 -0.187 22.290 46.697 -99.200 -91.000 PHE 122 1.000 8.277 15.982 49.691 -99.200 -91.000 PHE 132 1.000 15.910 33.317 48.703 -99.200 -91.000 PHE 135 1.000 16.863 33.512 39.989 -99.200 -91.000 TYR 139 0.840 18.180 32.901 36.132 -99.200 -91.000 PHE 143 1.000 21.319 38.978 34.328 -99.200 -91.000 PHE 158 1.000 16.539 37.079 29.523 -99.200 -91.000 PHE 167 1.000 16.011 21.014 32.175 -99.200 -91.000 PHE 169 1.000 15.901 28.438 39.778 -99.200 -91.000 PHE 174 1.000 11.343 22.817 40.695 -99.200 -91.000 TYR 175 0.840 13.479 17.452 39.726 -99.200 -91.000 TRP 195 1.040 6.564 16.933 25.087 -99.200 -91.000 TRP6 195 1.020 6.233 18.083 27.148 -99.200 -91.000 PHE 198 1.000 6.160 17.206 17.008 -99.200 -91.000 HIS 201 0.900 0.320 21.396 15.847 -99.200 -91.000 HIS 218 0.900 -2.270 27.918 12.531 -99.200 -91.000 PHE 220 1.000 -5.361 16.991 8.348 -99.200 -91.000 TYR 231 0.840 7.539 12.495 27.337 -99.200 -91.000 TYR 235 0.840 9.828 8.180 32.109 -99.200 -91.000 PHE 237 1.000 17.559 15.928 34.264 -99.200 -91.000 PHE 238 1.000 12.259 16.218 34.374 -99.200 -91.000 HIS 261 0.900 5.426 9.296 31.522 -99.200 -91.000 PHE 265 1.000 2.084 19.015 31.020 -99.200 -91.000 PHE 269 1.000 2.366 22.714 28.585 -99.200 -91.000 TRP 272 1.040 12.886 25.691 30.213 -99.200 -91.000 TRP6 272 1.020 12.114 25.625 27.981 -99.200 -91.000 PHE 279 1.000 12.620 34.615 35.149 -99.200 -91.000 HIS 291 0.900 18.457 54.449 30.977 -99.200 -91.000 HIS 294 0.900 15.925 50.267 33.834 -99.200 -91.000 TYR 328 0.840 2.443 40.878 43.968 -99.200 -91.000 PHE 333 1.000 1.047 46.623 30.224 -99.200 -91.000 TYR 341 0.840 -10.123 27.712 25.951 -99.200 -91.000 HIS 353 0.900 -16.917 45.689 35.155 -99.200 -91.000 PHE 357 1.000 -23.956 39.435 29.006 -99.200 -91.000 TYR 366 0.840 -10.655 32.547 25.292 -99.200 -91.000 TYR 368 0.840 -6.117 37.999 25.206 -99.200 -91.000 PHE 379 1.000 -5.960 46.156 38.254 -99.200 -91.000 PHE 385 1.000