============================================================================= 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. TYR 14 0.840 10.961 9.233 -0.037 -99.200 -91.000 PHE 31 1.000 5.593 14.929 14.759 -99.200 -91.000 PHE 32 1.000 11.371 9.078 11.892 -99.200 -91.000 TYR 35 0.840 8.901 9.880 20.792 -99.200 -91.000 TRP 48 1.040 6.993 -0.211 -5.074 -99.200 -91.000 TRP6 48 1.020 7.285 0.176 -2.760 -99.200 -91.000 TRP 69 1.040 9.502 -2.245 3.279 -99.200 -91.000 TRP6 69 1.020 11.132 -2.573 1.602 -99.200 -91.000 HIS 75 0.900 4.494 -10.296 5.449 -99.200 -91.000 TYR 91 0.840 11.629 -8.677 13.738 -99.200 -91.000 HIS 109 0.900 -10.228 0.932 -22.614 -99.200 -91.000 TYR 124 0.840 -14.508 -2.306 -24.158 -99.200 -91.000 PHE 128 1.000 -9.184 -2.842 -26.047 -99.200 -91.000 PHE 136 1.000 -8.657 -2.975 -20.337 -99.200 -91.000 HIS 140 0.900 1.936 -5.411 -11.262 -99.200 -91.000 PHE 142 1.000 8.303 -5.941 -6.467 -99.200 -91.000 PHE 149 1.000 -1.731 -9.355 -3.390 -99.200 -91.000 TRP 150 1.040 -4.468 -2.080 -3.604 -99.200 -91.000 TRP6 150 1.020 -5.198 -3.532 -1.885 -99.200 -91.000 TYR 153 0.840 -11.694 -8.202 -4.351 -99.200 -91.000 TRP 154 1.040 -11.784 -2.335 -11.075 -99.200 -91.000 TRP6 154 1.020 -10.682 -2.017 -13.141 -99.200 -91.000 PHE 155 1.000 -8.388 -5.664 -15.072 -99.200 -91.000 PHE 188 1.000 -1.402 4.363 -14.021 -99.200 -91.000 TRP 194 1.040 2.183 8.632 -11.051 -99.200 -91.000 TRP6 194 1.020 2.365 9.971 -12.996 -99.200 -91.000 TYR 196 0.840 -5.010 17.572 -9.596 -99.200 -91.000 TYR 205 0.840 -12.519 5.918 -17.053 -99.200 -91.000 TRP 214 1.040 -10.714 -4.153 2.477 -99.200 -91.000 TRP6 214 1.020 -8.780 -5.511 2.581 -99.200 -91.000 TYR 216 0.840 -12.638 3.762 6.358 -99.200 -91.000 HIS 217 0.900 -6.722 0.002 0.737 -99.200 -91.000 TYR 221 0.840 0.987 -2.979 6.775 -99.200 -91.000 TRP 228 1.040 18.981 -0.873 12.373 -99.200 -91.000 TRP6 228 1.020 17.424 0.289 13.723 -99.200 -91.000 TRP 249 1.040 1.595 17.862 13.002 -99.200 -91.000 TRP6 249 1.020 2.294 18.556 10.853 -99.200 -91.000 TYR 268 0.840 11.437 14.724 2.030 -99.200 -91.000 PHE 269 1.000 5.549 12.410 -2.001 -99.200 -91.000 PHE 280 1.000 -2.030 14.336 1.650 -99.200 -91.000 TYR 284 0.840 -8.872 10.982 -4.398 -99.200 -91.000 PHE 296 1.000 -9.680 14.050 6.425 -99.200 -91.000 TYR 302 0.840 -1.069 9.484 5.548 -99.200 -91.000 TRP 303 1.040 -3.702 8.167 15.406 -99.200 -91.000 TRP6 303 1.020 -1.951 6.692 15.998 -99.200 -91.000 TYR 312 0.840 -2.436 -3.726 16.241 -99.200 -91.000 TYR 314 0.840 -6.285 -3.946 13.246 -99.200 -91.000 HIS 317 0.900 -5.999 -5.124 8.045 -99.200 -91.000 TRP 320 1.040 -7.397 -9.952 1.598 -99.200 -91.000 TRP6 320 1.020 -6.233 -8.662 -0.003 -99.200 -91.000 PHE 321 1.000 -1.769 -6.646 2.187 -99.200 -91.000 TRP 328 1.040 -4.859 -12.953 -7.526 -99.200 -91.000 TRP6 328 1.020 -6.598 -13.434 -9.055 -99.200 -91.000 PHE 330 1.000 0.254 -13.411 -7.249 -99.200 -91.000 HIS 331 0.900 4.993 -15.264 -3.948 -99.200 -91.000 TRP 354 1.040 1.578 0.473 16.011 -99.200 -91.000 TRP6 354 1.020 -0.283 1.003 17.375 -99.200 -91.000 PHE 363 1.000 0.839 8.374 20.847 -99.200 -91.000 PHE 378 1.000 -11.841 -7.491 -0.156 -99.200 -91.000 PHE 379 1.000 -15.785 -3.716 -6.108 -99.200 -91.000 PHE 384 1.000 -9.111 -12.413 5.056 -99.200 -91.000 TYR 392 0.840 -10.817 -13.568 0.334 -99.200 -91.000