============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 9 0.840 33.383 80.342 30.905 -99.200 -91.000 PHE 20 1.000 24.068 77.941 31.103 -99.200 -91.000 PHE 27 1.000 19.432 75.801 23.566 -99.200 -91.000 PHE 54 1.000 21.164 69.179 31.283 -99.200 -91.000 TYR 55 0.840 18.949 62.866 26.142 -99.200 -91.000 HIS 58 0.900 14.848 75.250 19.460 -99.200 -91.000 PHE 61 1.000 20.316 73.434 18.049 -99.200 -91.000 TRP 82 1.040 48.686 73.675 30.067 -99.200 -91.000 TRP6 82 1.020 48.451 71.351 29.632 -99.200 -91.000 HIS 83 0.900 45.242 80.504 27.222 -99.200 -91.000 TYR 128 0.840 41.695 60.672 12.694 -99.200 -91.000 TYR 130 0.840 43.328 54.115 9.500 -99.200 -91.000 HIS 146 0.900 24.702 77.635 18.628 -99.200 -91.000 TRP 154 1.040 34.532 76.085 13.340 -99.200 -91.000 TRP6 154 1.020 34.038 74.925 15.339 -99.200 -91.000 PHE 160 1.000 47.238 76.256 13.788 -99.200 -91.000 PHE 183 1.000 54.758 60.001 4.789 -99.200 -91.000 PHE 201 1.000 61.003 68.159 -7.512 -99.200 -91.000 TRP 207 1.040 67.629 62.501 -6.518 -99.200 -91.000 TRP6 207 1.020 67.667 62.861 -4.156 -99.200 -91.000 PHE 216 1.000 66.666 56.695 2.591 -99.200 -91.000 PHE 229 1.000 65.759 62.600 0.941 -99.200 -91.000 HIS 233 0.900 61.538 72.086 -3.669 -99.200 -91.000 TYR 234 0.840 53.725 77.411 1.067 -99.200 -91.000 PHE 247 1.000 59.700 72.657 9.578 -99.200 -91.000 PHE 254 1.000 56.924 46.856 11.592 -99.200 -91.000 TYR 345 0.840 68.805 66.870 -0.996 -99.200 -91.000 HIS 347 0.900 73.579 71.097 7.061 -99.200 -91.000 PHE 349 1.000 66.911 71.665 -0.405 -99.200 -91.000 PHE 376 1.000 68.077 65.795 22.739 -99.200 -91.000 TRP 381 1.040 65.281 83.490 17.340 -99.200 -91.000 TRP6 381 1.020 64.683 82.137 15.494 -99.200 -91.000 TRP 383 1.040 63.936 76.447 24.842 -99.200 -91.000 TRP6 383 1.020 62.512 74.559 24.943 -99.200 -91.000 PHE 387 1.000 58.526 77.369 27.130 -99.200 -91.000 TRP 398 1.040 61.747 69.521 29.826 -99.200 -91.000 TRP6 398 1.020 60.503 70.959 31.232 -99.200 -91.000 PHE 403 1.000 75.083 69.659 28.548 -99.200 -91.000 HIS 405 0.900 78.466 63.384 29.696 -99.200 -91.000 TYR 406 0.840 74.565 63.870 27.130 -99.200 -91.000 TYR 424 0.840 80.062 54.568 29.004 -99.200 -91.000 PHE 435 1.000 75.035 58.730 14.059 -99.200 -91.000 PHE 439 1.000 76.413 62.117 10.190 -99.200 -91.000 HIS 442 0.900 71.168 76.365 9.648 -99.200 -91.000 TRP 445 1.040 69.604 70.009 13.875 -99.200 -91.000 TRP6 445 1.020 70.912 68.956 15.558 -99.200 -91.000 HIS 447 0.900 66.579 64.656 17.447 -99.200 -91.000 TYR 462 0.840 43.518 68.310 23.151 -99.200 -91.000 PHE 478 1.000 59.624 77.684 14.061 -99.200 -91.000 PHE 480 1.000 50.102 83.208 12.633 -99.200 -91.000 PHE 482 1.000 61.217 82.234 10.362 -99.200 -91.000