============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 20 1.000 3.979 0.800 -37.195 -99.200 -91.000 PHE 31 1.000 11.381 1.434 -26.690 -99.200 -91.000 PHE 44 1.000 22.302 -2.008 -7.800 -99.200 -91.000 HIS 55 0.900 -6.156 -7.480 -19.368 -99.200 -91.000 HIS 64 0.900 15.837 -12.180 -13.235 -99.200 -91.000 TRP 65 1.040 15.684 -6.666 -9.755 -99.200 -91.000 TRP6 65 1.020 15.198 -4.503 -10.597 -99.200 -91.000 HIS 66 0.900 19.530 -12.592 -17.288 -99.200 -91.000 PHE 68 1.000 22.329 -7.176 -10.081 -99.200 -91.000 PHE 69 1.000 25.971 -15.030 -8.225 -99.200 -91.000 HIS 71 0.900 23.199 -16.635 0.045 -99.200 -91.000 TRP 75 1.040 12.769 -10.698 -0.236 -99.200 -91.000 TRP6 75 1.020 12.553 -8.449 -0.973 -99.200 -91.000 PHE 81 1.000 1.293 -15.349 -11.159 -99.200 -91.000 HIS 91 0.900 -1.911 -1.445 -4.973 -99.200 -91.000 PHE 93 1.000 7.926 -5.831 -3.798 -99.200 -91.000 TYR 95 0.840 11.266 -5.825 -7.473 -99.200 -91.000 PHE 97 1.000 18.600 -6.016 -6.096 -99.200 -91.000 PHE 106 1.000 25.439 -8.060 -13.131 -99.200 -91.000 TRP 107 1.040 19.301 -8.744 -19.499 -99.200 -91.000 TRP6 107 1.020 17.236 -8.892 -20.659 -99.200 -91.000 TYR 108 0.840 15.756 -1.920 -16.037 -99.200 -91.000 HIS 109 0.900 13.976 -10.006 -18.150 -99.200 -91.000 HIS 111 0.900 11.146 -14.017 -15.401 -99.200 -91.000 TYR 116 0.840 12.245 -10.093 -22.218 -99.200 -91.000 TYR 127 0.840 30.283 1.514 -14.367 -99.200 -91.000 HIS 133 0.900 40.053 -8.475 -17.888 -99.200 -91.000 TYR 137 0.840 38.163 -0.768 -19.302 -99.200 -91.000 TRP 151 1.040 9.714 -1.928 -31.899 -99.200 -91.000 TRP6 151 1.020 9.314 -1.960 -29.560 -99.200 -91.000 TYR 152 0.840 8.994 -9.140 -32.213 -99.200 -91.000 HIS 153 0.900 6.721 -2.154 -37.614 -99.200 -91.000 TYR 195 0.840 36.362 4.758 -26.965 -99.200 -91.000 PHE 197 1.000 32.439 0.692 -27.700 -99.200 -91.000 TYR 208 0.840 19.750 -9.483 -32.532 -99.200 -91.000 PHE 210 1.000 28.394 -6.028 -31.898 -99.200 -91.000 HIS 215 0.900 37.098 -0.296 -35.932 -99.200 -91.000 HIS 230 0.900 39.186 -16.126 -27.723 -99.200 -91.000 PHE 238 1.000 23.309 -18.337 -29.098 -99.200 -91.000 TYR 243 0.840 29.869 -12.829 -25.245 -99.200 -91.000 PHE 245 1.000 32.689 -4.972 -28.269 -99.200 -91.000 TYR 256 0.840 35.975 2.488 -39.714 -99.200 -91.000 TRP 257 1.040 27.525 0.096 -42.950 -99.200 -91.000 TRP6 257 1.020 25.592 1.314 -42.294 -99.200 -91.000 PHE 269 1.000 24.328 -6.927 -41.934 -99.200 -91.000 TYR 280 0.840 37.783 5.586 -35.551 -99.200 -91.000 PHE 329 1.000 15.675 -28.938 -23.847 -99.200 -91.000 PHE 331 1.000 5.256 -27.059 -29.553 -99.200 -91.000 PHE 336 1.000 8.814 -24.792 -26.988 -99.200 -91.000 PHE 343 1.000 6.349 -22.668 -14.352 -99.200 -91.000 TYR 371 0.840 13.209 -31.473 -12.389 -99.200 -91.000 PHE 392 1.000 16.801 -26.858 -34.319 -99.200 -91.000 HIS 394 0.900 14.417 -24.172 -28.089 -99.200 -91.000 PHE 396 1.000 16.247 -24.456 -21.483 -99.200 -91.000 HIS 397 0.900 19.070 -16.473 -16.490 -99.200 -91.000 HIS 399 0.900 15.515 -16.272 -13.009 -99.200 -91.000 HIS 401 0.900 22.702 -21.263 -7.939 -99.200 -91.000 PHE 403 1.000 24.816 -21.725 -16.761 -99.200 -91.000 TYR 414 0.840 30.849 -34.039 -22.234 -99.200 -91.000 TYR 416 0.840 34.252 -32.988 -16.887 -99.200 -91.000 TYR 421 0.840 32.481 -21.525 -13.196 -99.200 -91.000 PHE 438 1.000 23.070 -25.598 -10.494 -99.200 -91.000 TRP 446 1.040 17.577 -19.996 -6.583 -99.200 -91.000 TRP6 446 1.020 17.540 -17.654 -6.174 -99.200 -91.000 PHE 447 1.000 10.392 -19.699 -14.192 -99.200 -91.000 HIS 449 0.900 13.282 -18.610 -18.110 -99.200 -91.000 HIS 451 0.900 15.905 -14.315 -20.928 -99.200 -91.000 PHE 454 1.000 7.902 -13.703 -28.673 -99.200 -91.000 HIS 455 0.900 10.863 -20.868 -28.289 -99.200 -91.000 PHE 460 1.000 12.054 -25.647 -24.066 -99.200 -91.000 TRP 481 1.040 7.553 -11.416 -1.734 -99.200 -91.000 TRP6 481 1.020 6.666 -13.319 -0.625 -99.200 -91.000 TYR 488 0.840 -2.057 -10.812 -10.176 -99.200 -91.000