============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 42.514 58.627 15.231 -99.200 -91.000 PHE 40 1.000 44.290 52.940 28.029 -99.200 -91.000 PHE 42 1.000 47.198 57.497 23.953 -99.200 -91.000 TYR 51 0.840 47.795 56.558 29.691 -99.200 -91.000 PHE 67 1.000 57.678 48.301 36.939 -99.200 -91.000 PHE 77 1.000 57.261 69.924 25.763 -99.200 -91.000 PHE 81 1.000 57.939 76.364 33.913 -99.200 -91.000 PHE 87 1.000 56.062 67.966 39.606 -99.200 -91.000 TRP 90 1.040 66.062 61.943 34.038 -99.200 -91.000 TRP6 90 1.020 64.455 60.403 33.230 -99.200 -91.000 HIS 92 0.900 68.954 56.098 39.069 -99.200 -91.000 TRP 96 1.040 64.935 63.327 43.694 -99.200 -91.000 TRP6 96 1.020 65.225 61.457 45.117 -99.200 -91.000 HIS 100 0.900 64.220 62.258 49.377 -99.200 -91.000 PHE 107 1.000 58.648 70.578 51.677 -99.200 -91.000 TYR 115 0.840 57.267 75.084 56.871 -99.200 -91.000 HIS 116 0.900 48.697 76.465 62.658 -99.200 -91.000 TRP 130 1.040 35.630 83.891 50.496 -99.200 -91.000 TRP6 130 1.020 35.578 81.544 50.728 -99.200 -91.000 HIS 138 0.900 29.384 85.422 41.977 -99.200 -91.000 PHE 158 1.000 59.584 83.370 47.234 -99.200 -91.000 TYR 160 0.840 57.825 88.732 46.858 -99.200 -91.000 PHE 162 1.000 54.145 85.124 45.013 -99.200 -91.000 PHE 165 1.000 43.120 86.016 49.336 -99.200 -91.000 TYR 166 0.840 46.193 93.586 50.766 -99.200 -91.000 HIS 171 0.900 54.703 89.779 42.326 -99.200 -91.000 PHE 173 1.000 57.303 83.726 40.696 -99.200 -91.000 TYR 198 0.840 52.582 77.176 17.401 -99.200 -91.000 PHE 205 1.000 58.475 78.276 28.193 -99.200 -91.000 HIS 236 0.900 63.426 75.124 57.418 -99.200 -91.000 TYR 256 0.840 66.535 75.867 37.792 -99.200 -91.000 PHE 261 1.000 60.022 73.887 47.728 -99.200 -91.000 HIS 266 0.900 50.022 77.049 40.868 -99.200 -91.000 PHE 275 1.000 37.919 68.610 41.520 -99.200 -91.000 TYR 278 0.840 30.937 69.266 42.689 -99.200 -91.000 PHE 279 1.000 33.185 65.342 45.045 -99.200 -91.000 HIS 285 0.900 21.452 64.409 55.229 -99.200 -91.000 TYR 305 0.840 50.860 70.871 64.264 -99.200 -91.000 TYR 313 0.840 32.939 63.657 58.279 -99.200 -91.000 TRP 325 1.040 36.400 64.280 40.230 -99.200 -91.000 TRP6 325 1.020 36.836 63.332 38.103 -99.200 -91.000 PHE 331 1.000 52.088 57.660 40.261 -99.200 -91.000 TYR 334 0.840 63.267 54.475 34.709 -99.200 -91.000 TYR 345 0.840 49.146 42.431 30.503 -99.200 -91.000 HIS 361 0.900 42.690 57.541 44.127 -99.200 -91.000 TRP 367 1.040 38.722 52.370 46.244 -99.200 -91.000 TRP6 367 1.020 39.376 53.519 48.212 -99.200 -91.000 PHE 374 1.000 32.732 63.915 49.420 -99.200 -91.000 PHE 379 1.000 39.810 57.853 52.106 -99.200 -91.000 HIS 388 0.900 52.137 50.556 46.767 -99.200 -91.000 PHE 390 1.000 43.584 58.267 49.160 -99.200 -91.000 PHE 393 1.000 48.881 64.048 48.883 -99.200 -91.000 PHE 405 1.000 53.156 74.265 52.809 -99.200 -91.000 HIS 408 0.900 48.782 72.227 59.635 -99.200 -91.000 HIS 420 0.900 35.285 82.118 61.336 -99.200 -91.000 PHE 421 1.000 32.688 82.803 55.650 -99.200 -91.000 PHE 423 1.000 30.998 77.836 52.625 -99.200 -91.000 HIS 426 0.900 25.631 81.465 43.729 -99.200 -91.000 TYR 429 0.840 30.368 73.986 39.137 -99.200 -91.000 PHE 444 1.000 32.091 74.901 43.950 -99.200 -91.000