============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 12 0.900 192.491 143.854 66.993 -99.200 -91.000 PHE 18 1.000 189.556 144.649 59.485 -99.200 -91.000 TYR 19 0.840 183.733 150.778 56.405 -99.200 -91.000 TRP 33 1.040 188.902 173.542 51.130 -99.200 -91.000 TRP6 33 1.020 187.440 172.527 49.566 -99.200 -91.000 PHE 37 1.000 189.014 174.471 45.778 -99.200 -91.000 HIS 43 0.900 179.713 175.910 56.042 -99.200 -91.000 TYR 44 0.840 182.360 165.591 55.898 -99.200 -91.000 PHE 65 1.000 181.199 169.895 61.014 -99.200 -91.000 PHE 88 1.000 167.906 171.687 57.897 -99.200 -91.000 HIS 90 0.900 166.986 168.049 51.638 -99.200 -91.000 PHE 100 1.000 167.072 169.906 66.597 -99.200 -91.000 PHE 111 1.000 165.070 180.494 48.500 -99.200 -91.000 PHE 115 1.000 153.419 175.479 47.380 -99.200 -91.000 HIS 121 0.900 156.097 185.244 56.677 -99.200 -91.000 TYR 123 0.840 155.639 176.111 60.747 -99.200 -91.000 HIS 124 0.900 165.087 179.213 61.360 -99.200 -91.000 PHE 148 1.000 167.126 167.960 46.140 -99.200 -91.000 HIS 157 0.900 157.387 183.615 41.604 -99.200 -91.000 TYR 161 0.840 156.081 183.761 47.866 -99.200 -91.000 PHE 174 1.000 177.855 176.256 41.687 -99.200 -91.000 HIS 175 0.900 176.599 168.912 44.556 -99.200 -91.000 TYR 186 0.840 182.579 172.130 40.279 -99.200 -91.000 TYR 187 0.840 184.709 180.589 33.775 -99.200 -91.000 PHE 197 1.000 176.171 188.010 45.272 -99.200 -91.000 HIS 205 0.900 166.153 189.232 48.775 -99.200 -91.000 TYR 208 0.840 176.305 187.899 53.889 -99.200 -91.000 HIS 217 0.900 185.741 161.913 42.608 -99.200 -91.000 TYR 229 0.840 188.096 177.001 33.687 -99.200 -91.000 PHE 237 1.000 182.149 184.819 35.656 -99.200 -91.000 PHE 238 1.000 179.987 185.441 42.811 -99.200 -91.000 PHE 252 1.000 189.602 167.883 48.362 -99.200 -91.000 PHE 253 1.000 187.764 168.231 53.222 -99.200 -91.000 HIS 256 0.900 191.601 159.545 48.386 -99.200 -91.000 TYR 257 0.840 187.925 158.767 58.512 -99.200 -91.000 TYR 274 0.840 190.237 130.104 39.559 -99.200 -91.000 TYR 276 0.840 187.875 133.895 44.508 -99.200 -91.000 PHE 277 1.000 178.927 133.617 46.423 -99.200 -91.000 PHE 278 1.000 185.542 138.876 48.434 -99.200 -91.000 TYR 283 0.840 170.858 144.562 48.594 -99.200 -91.000 PHE 286 1.000 182.594 146.509 48.956 -99.200 -91.000 PHE 291 1.000 171.817 153.234 45.026 -99.200 -91.000 TYR 310 0.840 197.440 139.340 39.121 -99.200 -91.000 TYR 316 0.840 178.827 136.119 42.162 -99.200 -91.000 HIS 328 0.900 178.454 142.128 37.534 -99.200 -91.000 HIS 336 0.900 193.988 129.608 48.074 -99.200 -91.000 TRP 340 1.040 190.839 138.507 56.931 -99.200 -91.000 TRP6 340 1.020 188.917 139.747 57.543 -99.200 -91.000 TYR 342 0.840 194.218 147.293 51.552 -99.200 -91.000 PHE 343 1.000 187.107 145.525 47.615 -99.200 -91.000 TRP 346 1.040 184.303 150.887 49.898 -99.200 -91.000 TRP6 346 1.020 184.383 150.956 47.526 -99.200 -91.000 TYR 349 0.840 178.293 160.301 49.057 -99.200 -91.000 PHE 357 1.000 167.741 141.969 51.347 -99.200 -91.000 PHE 360 1.000 174.747 137.660 55.380 -99.200 -91.000 TYR 363 0.840 180.102 149.436 59.679 -99.200 -91.000 TYR 366 0.840 189.971 146.858 64.302 -99.200 -91.000 TYR 367 0.840 187.941 155.351 64.551 -99.200 -91.000