============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 10 0.900 4.456 17.020 24.686 -99.200 -91.000 PHE 13 1.000 19.118 16.787 21.615 -99.200 -91.000 PHE 18 1.000 14.355 25.106 29.487 -99.200 -91.000 TYR 20 0.840 17.177 35.346 30.381 -99.200 -91.000 TYR 31 0.840 20.189 33.139 39.185 -99.200 -91.000 PHE 44 1.000 17.087 29.658 30.605 -99.200 -91.000 HIS 47 0.900 18.782 15.292 25.057 -99.200 -91.000 TRP 51 1.040 23.387 22.351 31.897 -99.200 -91.000 TRP6 51 1.020 22.049 23.393 33.547 -99.200 -91.000 PHE 59 1.000 30.498 34.913 31.577 -99.200 -91.000 TYR 74 0.840 27.596 43.643 13.367 -99.200 -91.000 TYR 75 0.840 34.596 43.431 16.650 -99.200 -91.000 TYR 79 0.840 23.482 39.176 19.757 -99.200 -91.000 TYR 89 0.840 21.964 32.621 22.266 -99.200 -91.000 PHE 97 1.000 21.299 22.046 20.327 -99.200 -91.000 TYR 101 0.840 16.713 13.942 17.920 -99.200 -91.000 PHE 119 1.000 39.152 7.784 31.245 -99.200 -91.000 TRP 120 1.040 34.503 10.637 35.829 -99.200 -91.000 TRP6 120 1.020 33.915 10.323 38.098 -99.200 -91.000 TYR 146 0.840 28.273 27.567 44.602 -99.200 -91.000 PHE 165 1.000 28.616 31.951 13.727 -99.200 -91.000 PHE 170 1.000 36.916 26.844 30.704 -99.200 -91.000 HIS 172 0.900 44.887 17.927 33.596 -99.200 -91.000 TYR 182 0.840 42.418 10.781 29.566 -99.200 -91.000 TYR 187 0.840 32.179 25.865 28.555 -99.200 -91.000 PHE 190 1.000 24.581 29.129 16.394 -99.200 -91.000 PHE 194 1.000 23.923 39.584 14.833 -99.200 -91.000 PHE 196 1.000 28.892 32.111 7.093 -99.200 -91.000 PHE 198 1.000 26.098 30.208 0.109 -99.200 -91.000 PHE 215 1.000 21.603 31.621 -3.566 -99.200 -91.000 HIS 225 0.900 32.199 24.112 10.675 -99.200 -91.000 HIS 229 0.900 35.278 22.421 14.453 -99.200 -91.000 HIS 232 0.900 35.853 16.386 14.324 -99.200 -91.000 TYR 235 0.840 32.802 10.118 21.305 -99.200 -91.000 PHE 245 1.000 45.862 23.264 1.087 -99.200 -91.000 PHE 250 1.000 46.549 19.227 7.408 -99.200 -91.000 PHE 256 1.000 32.760 23.537 3.751 -99.200 -91.000 HIS 259 0.900 34.520 18.207 -4.980 -99.200 -91.000 PHE 263 1.000 42.669 21.037 -1.977 -99.200 -91.000 PHE 272 1.000 46.447 13.932 12.448 -99.200 -91.000 TYR 275 0.840 48.613 10.350 19.071 -99.200 -91.000 TYR 276 0.840 43.607 11.322 18.002 -99.200 -91.000 TYR 277 0.840 43.496 0.047 17.383 -99.200 -91.000 PHE 280 1.000 38.941 6.222 21.089 -99.200 -91.000 TYR 302 0.840 26.541 4.174 36.613 -99.200 -91.000 PHE 307 1.000 34.180 7.449 31.326 -99.200 -91.000 TYR 311 0.840 36.385 6.606 25.405 -99.200 -91.000 PHE 321 1.000 35.411 -2.292 30.588 -99.200 -91.000 PHE 328 1.000 39.910 3.968 16.542 -99.200 -91.000 TYR 332 0.840 39.692 8.404 13.540 -99.200 -91.000 TYR 339 0.840 28.305 11.839 13.406 -99.200 -91.000 PHE 344 1.000 24.644 17.442 10.370 -99.200 -91.000 PHE 347 1.000 21.351 12.777 6.061 -99.200 -91.000 PHE 348 1.000 20.128 20.719 8.417 -99.200 -91.000 TYR 356 0.840