============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 4 1.000 35.678 38.328 54.140 -99.200 -91.000 TYR 6 0.840 41.262 36.514 61.140 -99.200 -91.000 TRP 15 1.040 31.205 47.203 34.399 -99.200 -91.000 TRP6 15 1.020 31.431 45.319 35.803 -99.200 -91.000 TYR 26 0.840 35.136 38.470 41.690 -99.200 -91.000 PHE 27 1.000 33.013 36.967 49.998 -99.200 -91.000 TRP 45 1.040 28.706 46.703 48.563 -99.200 -91.000 TRP6 45 1.020 30.172 45.999 46.850 -99.200 -91.000 PHE 60 1.000 43.206 30.153 55.710 -99.200 -91.000 TRP 68 1.040 38.185 42.151 28.190 -99.200 -91.000 TRP6 68 1.020 39.224 40.497 29.508 -99.200 -91.000 TYR 79 0.840 44.094 35.797 36.305 -99.200 -91.000 PHE 90 1.000 37.833 28.980 39.364 -99.200 -91.000 TYR 92 0.840 29.794 36.650 33.736 -99.200 -91.000 TRP 97 1.040 31.018 33.681 37.341 -99.200 -91.000 TRP6 97 1.020 33.081 34.817 37.511 -99.200 -91.000 TRP 120 1.040 47.469 47.219 27.281 -99.200 -91.000 TRP6 120 1.020 49.174 45.762 28.045 -99.200 -91.000 TYR 133 0.840 52.737 41.640 36.943 -99.200 -91.000 TYR 134 0.840 54.081 33.489 38.897 -99.200 -91.000 HIS 145 0.900 59.587 34.169 38.821 -99.200 -91.000 TYR 147 0.840 53.016 31.848 32.700 -99.200 -91.000 TRP 149 1.040 45.112 36.238 26.539 -99.200 -91.000 TRP6 149 1.020 44.807 33.915 26.216 -99.200 -91.000 TRP 153 1.040 46.965 32.101 30.011 -99.200 -91.000 TRP6 153 1.020 47.111 34.117 31.239 -99.200 -91.000 PHE 159 1.000 58.810 42.780 37.912 -99.200 -91.000 TYR 181 0.840 53.074 51.179 42.367 -99.200 -91.000 TYR 182 0.840 58.895 45.477 44.462 -99.200 -91.000 HIS 192 0.900 61.306 46.447 38.449 -99.200 -91.000 TRP 194 1.040 56.974 47.242 29.272 -99.200 -91.000 TRP6 194 1.020 58.636 45.655 28.784 -99.200 -91.000 TRP 199 1.040 59.351 44.342 33.316 -99.200 -91.000 TRP6 199 1.020 57.431 45.231 34.376 -99.200 -91.000 TYR 200 0.840 61.466 52.705 34.126 -99.200 -91.000 PHE 204 1.000 55.550 55.044 46.224 -99.200 -91.000 TRP 219 1.040 41.760 58.942 37.739 -99.200 -91.000 TRP6 219 1.020 42.492 58.591 39.950 -99.200 -91.000 TYR 228 0.840 44.346 53.221 47.664 -99.200 -91.000 TRP 229 1.040 51.592 51.563 52.831 -99.200 -91.000 TRP6 229 1.020 52.076 53.149 51.162 -99.200 -91.000 TYR 237 0.840 50.226 54.605 56.663 -99.200 -91.000 TYR 241 0.840 53.150 60.214 38.848 -99.200 -91.000 TRP 245 1.040 55.308 58.741 42.944 -99.200 -91.000 TRP6 245 1.020 53.450 57.287 43.147 -99.200 -91.000 PHE 265 1.000 46.252 38.782 53.349 -99.200 -91.000 PHE 279 1.000 35.720 46.373 47.872 -99.200 -91.000 PHE 280 1.000 37.922 48.199 56.284 -99.200 -91.000 TRP 290 1.040 38.949 52.530 54.572 -99.200 -91.000 TRP6 290 1.020 38.354 54.234 56.079 -99.200 -91.000 TRP 292 1.040 37.539 60.329 46.034 -99.200 -91.000 TRP6 292 1.020 38.460 61.776 47.619 -99.200 -91.000 TRP 298 1.040 39.948 58.633 50.909 -99.200 -91.000 TRP6 298 1.020 39.678 56.689 49.569 -99.200 -91.000 TRP 312 1.040 25.322 31.572 64.284 -99.200 -91.000 TRP6 312 1.020 25.806 32.750 66.247 -99.200 -91.000