============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 55.834 78.903 61.512 -99.200 -91.000 TYR 17 0.840 48.925 80.700 68.677 -99.200 -91.000 TYR 18 0.840 50.079 83.057 60.538 -99.200 -91.000 PHE 30 1.000 47.484 92.688 52.281 -99.200 -91.000 PHE 34 1.000 42.691 89.643 63.835 -99.200 -91.000 TRP 42 1.040 51.958 97.161 61.429 -99.200 -91.000 TRP6 42 1.020 53.246 95.635 60.179 -99.200 -91.000 TYR 52 0.840 62.851 98.341 53.440 -99.200 -91.000 TYR 57 0.840 61.674 86.880 50.249 -99.200 -91.000 HIS 58 0.900 56.427 89.190 55.088 -99.200 -91.000 PHE 61 1.000 45.842 98.585 50.256 -99.200 -91.000 TYR 69 0.840 44.593 104.408 48.882 -99.200 -91.000 HIS 71 0.900 47.178 111.071 49.576 -99.200 -91.000 TYR 80 0.840 54.484 96.929 66.519 -99.200 -91.000 PHE 88 1.000 52.276 105.483 52.472 -99.200 -91.000 PHE 105 1.000 45.292 100.292 54.603 -99.200 -91.000 PHE 116 1.000 57.829 93.184 61.751 -99.200 -91.000 PHE 121 1.000 52.783 87.865 61.919 -99.200 -91.000 PHE 129 1.000 41.138 99.566 76.541 -99.200 -91.000 PHE 141 1.000 35.465 95.510 69.857 -99.200 -91.000 PHE 155 1.000 39.059 92.280 71.840 -99.200 -91.000 PHE 157 1.000 42.598 87.548 70.829 -99.200 -91.000 TYR 158 0.840 40.782 77.339 71.165 -99.200 -91.000 TYR 159 0.840 46.562 83.386 70.764 -99.200 -91.000 HIS 178 0.900 36.705 76.571 70.208 -99.200 -91.000 TYR 179 0.840 33.467 79.950 77.309 -99.200 -91.000 PHE 183 1.000 34.557 83.740 79.691 -99.200 -91.000 HIS 184 0.900 38.232 85.705 88.895 -99.200 -91.000 TYR 185 0.840 33.837 88.312 83.224 -99.200 -91.000 TRP 194 1.040 43.074 95.458 75.883 -99.200 -91.000 TRP6 194 1.020 40.949 95.069 76.802 -99.200 -91.000 TYR 224 0.840 58.396 81.687 74.200 -99.200 -91.000 PHE 246 1.000 71.275 82.260 70.875 -99.200 -91.000 TYR 248 0.840 66.372 81.931 81.929 -99.200 -91.000 PHE 263 1.000 51.874 83.661 85.748 -99.200 -91.000 HIS 264 0.900 49.187 83.893 94.190 -99.200 -91.000 TYR 270 0.840 42.638 82.874 86.365 -99.200 -91.000 TYR 277 0.840 56.479 75.532 83.567 -99.200 -91.000 PHE 279 1.000 57.409 76.178 73.357 -99.200 -91.000 TYR 283 0.840 57.375 63.435 77.919 -99.200 -91.000 HIS 293 0.900 62.448 84.252 75.347 -99.200 -91.000 TRP 305 1.040 55.362 89.321 86.595 -99.200 -91.000 TRP6 305 1.020 56.324 87.200 86.267 -99.200 -91.000 PHE 311 1.000 47.123 83.272 82.212 -99.200 -91.000 PHE 315 1.000 44.114 79.493 83.047 -99.200 -91.000 TYR 316 0.840 37.239 81.606 74.836 -99.200 -91.000 PHE 319 1.000 41.775 90.414 75.603 -99.200 -91.000 PHE 328 1.000 42.620 85.919 82.258 -99.200 -91.000