============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 25 1.040 111.736 22.946 177.183 -99.200 -91.000 TRP6 25 1.020 113.742 21.726 177.427 -99.200 -91.000 PHE 56 1.000 104.056 19.505 168.861 -99.200 -91.000 PHE 94 1.000 103.607 25.347 148.563 -99.200 -91.000 TYR 104 0.840 96.227 28.334 123.259 -99.200 -91.000 TYR 109 0.840 103.781 37.482 104.260 -99.200 -91.000 TYR 110 0.840 95.295 38.304 102.260 -99.200 -91.000 TYR 116 0.840 93.772 44.459 83.569 -99.200 -91.000 TRP 123 1.040 85.069 45.678 98.081 -99.200 -91.000 TRP6 123 1.020 83.874 43.885 99.045 -99.200 -91.000 PHE 147 1.000 100.050 43.887 102.405 -99.200 -91.000 PHE 150 1.000 100.668 35.705 93.850 -99.200 -91.000 TYR 158 0.840 106.751 33.441 82.239 -99.200 -91.000 TYR 160 0.840 101.389 42.326 77.924 -99.200 -91.000 TYR 172 0.840 101.802 53.335 75.687 -99.200 -91.000 PHE 182 1.000 104.551 43.235 92.308 -99.200 -91.000 TYR 184 0.840 107.262 37.632 98.316 -99.200 -91.000 HIS 186 0.900 107.803 41.287 103.911 -99.200 -91.000 PHE 197 1.000 96.977 42.912 107.133 -99.200 -91.000 PHE 217 1.000 102.262 26.587 93.543 -99.200 -91.000 TRP 232 1.040 107.117 32.905 108.897 -99.200 -91.000 TRP6 232 1.020 104.796 32.789 108.475 -99.200 -91.000 HIS 238 0.900 105.222 29.509 112.573 -99.200 -91.000 PHE 242 1.000 98.839 31.408 96.177 -99.200 -91.000 HIS 249 0.900 103.690 30.195 84.717 -99.200 -91.000 HIS 268 0.900 118.007 32.961 96.623 -99.200 -91.000 HIS 274 0.900 110.579 44.591 94.553 -99.200 -91.000 TYR 275 0.840 112.452 34.554 94.102 -99.200 -91.000 TYR 283 0.840 107.382 29.979 87.541 -99.200 -91.000 PHE 302 1.000 97.160 25.986 97.737 -99.200 -91.000 TYR 312 0.840 95.292 27.143 93.084 -99.200 -91.000 TYR 315 0.840 98.308 22.363 91.470 -99.200 -91.000 TYR 342 0.840 92.896 30.683 118.792 -99.200 -91.000 PHE 364 1.000 107.104 20.549 142.240 -99.200 -91.000 PHE 391 1.000 100.672 21.551 138.278 -99.200 -91.000 PHE 408 1.000 110.018 27.965 147.289 -99.200 -91.000 PHE 415 1.000 100.934 29.700 131.779 -99.200 -91.000 PHE 425 1.000 114.214 28.081 156.401 -99.200 -91.000 HIS 440 0.900 116.418 34.471 191.789 -99.200 -91.000 PHE 449 1.000 115.010 29.619 185.535 -99.200 -91.000