============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 18 0.840 8.702 -64.829 -34.758 -99.200 -91.000 PHE 31 1.000 -6.404 -74.251 -25.530 -99.200 -91.000 HIS 34 0.900 -5.834 -73.425 -32.443 -99.200 -91.000 TRP 36 1.040 -4.008 -68.015 -32.528 -99.200 -91.000 TRP6 36 1.020 -3.932 -66.119 -31.091 -99.200 -91.000 TYR 69 0.840 -1.949 -54.424 -38.731 -99.200 -91.000 PHE 71 1.000 -3.059 -60.489 -35.427 -99.200 -91.000 PHE 73 1.000 -6.374 -69.512 -28.125 -99.200 -91.000 TYR 83 0.840 -8.837 -71.850 -21.316 -99.200 -91.000 TYR 99 0.840 20.256 -40.491 -25.734 -99.200 -91.000 HIS 102 0.900 34.328 -33.823 -24.396 -99.200 -91.000 TYR 127 0.840 22.789 -47.526 -32.170 -99.200 -91.000 TRP 130 1.040 26.828 -40.895 -22.524 -99.200 -91.000 TRP6 130 1.020 25.339 -42.042 -21.078 -99.200 -91.000 PHE 148 1.000 28.198 -47.930 -31.210 -99.200 -91.000 HIS 154 0.900 35.195 -34.198 -31.064 -99.200 -91.000 HIS 171 0.900 8.786 -49.661 -45.143 -99.200 -91.000 HIS 183 0.900 33.844 -30.470 -27.723 -99.200 -91.000 PHE 185 1.000 30.870 -28.722 -38.299 -99.200 -91.000 PHE 198 1.000 20.992 -44.391 -45.838 -99.200 -91.000 TYR 209 0.840 20.291 -32.165 -22.846 -99.200 -91.000 TYR 216 0.840 26.290 -20.535 -20.635 -99.200 -91.000 TYR 220 0.840 33.178 -11.716 -21.606 -99.200 -91.000 TRP 222 1.040 29.887 -15.212 -32.083 -99.200 -91.000 TRP6 222 1.020 27.639 -14.647 -32.537 -99.200 -91.000 TYR 238 0.840 31.149 -24.442 -42.637 -99.200 -91.000 TYR 259 0.840 25.109 -21.325 -29.816 -99.200 -91.000 TRP 261 1.040 23.497 -28.361 -34.199 -99.200 -91.000 TRP6 261 1.020 24.239 -29.627 -36.057 -99.200 -91.000 TYR 265 0.840 19.025 -31.681 -39.572 -99.200 -91.000 TYR 269 0.840 20.871 -24.879 -30.217 -99.200 -91.000 HIS 270 0.900 17.090 -29.379 -23.944 -99.200 -91.000 PHE 271 1.000 21.936 -21.373 -24.754 -99.200 -91.000 TYR 276 0.840 26.235 -14.837 -20.841 -99.200 -91.000 HIS 284 0.900 18.534 -8.447 -25.315 -99.200 -91.000 TYR 289 0.840 20.114 -17.583 -36.615 -99.200 -91.000 TRP 299 1.040 19.489 -28.354 -13.279 -99.200 -91.000 TRP6 299 1.020 21.126 -29.988 -13.756 -99.200 -91.000 PHE 302 1.000 16.543 -38.659 -7.874 -99.200 -91.000 PHE 305 1.000 14.606 -40.208 -13.955 -99.200 -91.000 PHE 313 1.000 20.078 -39.830 -12.259 -99.200 -91.000 PHE 319 1.000 24.598 -39.597 -3.901 -99.200 -91.000 TYR 328 0.840 25.994 -34.977 3.906 -99.200 -91.000 PHE 336 1.000 34.301 -26.840 3.106 -99.200 -91.000 PHE 338 1.000 38.073 -27.351 -2.578 -99.200 -91.000 TRP 344 1.040 38.802 -29.287 -19.087 -99.200 -91.000 TRP6 344 1.020 38.582 -31.549 -18.404 -99.200 -91.000 HIS 348 0.900 52.024 -26.951 -18.407 -99.200 -91.000 TYR 352 0.840 49.830 -23.196 -9.673 -99.200 -91.000 TYR 353 0.840 44.809 -25.960 -12.345 -99.200 -91.000 HIS 371 0.900 39.109 -15.602 1.908 -99.200 -91.000 TYR 372 0.840 37.119 -20.888 11.087 -99.200 -91.000 TYR 377 0.840 31.089 -25.809 8.442 -99.200 -91.000 PHE 380 1.000 31.249 -35.186 4.457 -99.200 -91.000 PHE 381 1.000 38.401 -33.614 -3.612 -99.200 -91.000 HIS 384 0.900 36.270 -31.318 -13.382 -99.200 -91.000 TYR 398 0.840 43.078 -31.452 3.423 -99.200 -91.000 PHE 410 1.000 27.900 -30.305 -5.174 -99.200 -91.000 TYR 431 0.840 30.543 -23.421 -6.838 -99.200 -91.000 PHE 432 1.000 28.256 -20.982 -15.266 -99.200 -91.000 PHE 441 1.000 35.909 -20.191 0.330 -99.200 -91.000 PHE 444 1.000 35.909 -16.846 -10.646 -99.200 -91.000 PHE 478 1.000 40.928 -13.396 -10.090 -99.200 -91.000 TRP 479 1.040 43.395 -21.633 -7.102 -99.200 -91.000 TRP6 479 1.020 44.254 -22.895 -8.910 -99.200 -91.000