============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 19 0.840 35.390 87.402 -26.679 -99.200 -91.000 TYR 21 0.840 34.742 79.254 -25.410 -99.200 -91.000 HIS 23 0.900 46.278 75.491 -22.312 -99.200 -91.000 TYR 24 0.840 46.222 73.130 -27.597 -99.200 -91.000 HIS 30 0.900 28.206 89.381 -32.945 -99.200 -91.000 PHE 32 1.000 38.232 91.946 -36.603 -99.200 -91.000 HIS 39 0.900 39.339 96.111 -43.578 -99.200 -91.000 HIS 112 0.900 29.886 68.315 -23.605 -99.200 -91.000 PHE 113 1.000 34.292 73.936 -31.611 -99.200 -91.000 HIS 117 0.900 25.753 71.280 -24.556 -99.200 -91.000 HIS 123 0.900 13.638 74.236 -30.308 -99.200 -91.000 HIS 133 0.900 0.117 82.717 -22.340 -99.200 -91.000 HIS 136 0.900 1.505 80.169 -14.296 -99.200 -91.000 PHE 148 1.000 1.779 75.567 -36.552 -99.200 -91.000 TRP 149 1.040 9.352 75.884 -29.886 -99.200 -91.000 TRP6 149 1.020 10.699 76.816 -31.600 -99.200 -91.000 PHE 172 1.000 -4.910 73.345 -18.669 -99.200 -91.000 PHE 178 1.000 12.324 66.452 -25.752 -99.200 -91.000 HIS 249 0.900 29.082 80.803 -35.520 -99.200 -91.000 PHE 253 1.000 18.968 67.775 -38.982 -99.200 -91.000 HIS 258 0.900 20.900 77.899 -43.591 -99.200 -91.000 TYR 273 0.840 42.067 81.073 -53.889 -99.200 -91.000 PHE 280 1.000 21.676 65.603 -46.358 -99.200 -91.000 PHE 289 1.000 27.305 78.826 -50.040 -99.200 -91.000 PHE 292 1.000 17.683 81.175 -47.144 -99.200 -91.000 PHE 299 1.000 27.967 84.259 -48.765 -99.200 -91.000 TYR 300 0.840 26.505 83.370 -57.722 -99.200 -91.000 TYR 315 0.840 24.837 52.849 -53.528 -99.200 -91.000 HIS 316 0.900 24.598 57.605 -56.946 -99.200 -91.000 HIS 325 0.900 35.425 44.459 -52.354 -99.200 -91.000 PHE 336 1.000 31.399 61.033 -65.891 -99.200 -91.000 HIS 342 0.900 24.486 65.878 -58.096 -99.200 -91.000 PHE 349 1.000 22.513 76.798 -58.974 -99.200 -91.000 PHE 360 1.000 37.116 55.515 -50.890 -99.200 -91.000 TYR 370 0.840 34.453 55.541 -68.020 -99.200 -91.000 PHE 388 1.000 41.936 58.812 -44.672 -99.200 -91.000 TYR 413 0.840 21.236 84.959 -57.204 -99.200 -91.000 TYR 415 0.840 14.380 80.390 -55.478 -99.200 -91.000 TYR 432 0.840 14.948 69.036 -56.398 -99.200 -91.000 PHE 439 1.000 2.923 71.670 -55.118 -99.200 -91.000 PHE 449 1.000 -0.808 78.624 -41.796 -99.200 -91.000 HIS 453 0.900 -2.090 82.898 -41.603 -99.200 -91.000 PHE 455 1.000 4.426 83.574 -43.143 -99.200 -91.000 HIS 471 0.900 9.557 61.673 -55.800 -99.200 -91.000 TYR 482 0.840 11.851 62.473 -60.715 -99.200 -91.000 PHE 484 1.000 10.425 66.702 -55.826 -99.200 -91.000 PHE 490 1.000 8.540 72.793 -41.887 -99.200 -91.000 PHE 497 1.000 14.514 78.094 -44.200 -99.200 -91.000