============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 16 0.900 -52.617 88.947 30.027 -99.200 -91.000 HIS 17 0.900 -48.150 88.456 28.093 -99.200 -91.000 PHE 20 1.000 -54.174 90.592 18.350 -99.200 -91.000 TRP 26 1.040 -54.700 103.566 10.319 -99.200 -91.000 TRP6 26 1.020 -52.864 102.126 9.945 -99.200 -91.000 TYR 62 0.840 -41.668 75.616 13.690 -99.200 -91.000 HIS 68 0.900 -45.017 95.341 12.797 -99.200 -91.000 HIS 69 0.900 -44.527 95.568 7.450 -99.200 -91.000 PHE 73 1.000 -53.438 98.442 5.463 -99.200 -91.000 TYR 84 0.840 -48.862 91.227 -1.821 -99.200 -91.000 HIS 94 0.900 -48.764 73.584 1.336 -99.200 -91.000 HIS 102 0.900 -49.011 97.108 10.606 -99.200 -91.000 HIS 110 0.900 -42.208 94.973 27.801 -99.200 -91.000 TYR 135 0.840 -58.851 103.705 32.750 -99.200 -91.000 TYR 136 0.840 -67.495 106.185 31.592 -99.200 -91.000 TYR 141 0.840 -73.874 110.853 45.736 -99.200 -91.000 PHE 150 1.000 -74.021 99.838 46.334 -99.200 -91.000 TYR 163 0.840 -65.049 95.376 49.920 -99.200 -91.000 PHE 165 1.000 -66.469 99.464 46.701 -99.200 -91.000 PHE 166 1.000 -61.932 108.902 49.252 -99.200 -91.000 PHE 183 1.000 -67.758 101.340 41.831 -99.200 -91.000 TYR 188 0.840 -64.547 95.892 29.802 -99.200 -91.000 TYR 200 0.840 -76.494 92.648 43.657 -99.200 -91.000 HIS 201 0.900 -78.379 102.801 46.096 -99.200 -91.000 TYR 203 0.840 -83.982 106.847 47.426 -99.200 -91.000 PHE 208 1.000 -77.065 104.528 38.433 -99.200 -91.000 PHE 210 1.000 -72.154 104.612 35.410 -99.200 -91.000 TYR 219 0.840 -50.795 99.034 25.808 -99.200 -91.000 PHE 236 1.000 -27.931 107.260 17.368 -99.200 -91.000 PHE 251 1.000 -25.434 112.122 8.520 -99.200 -91.000 TYR 272 0.840 -46.567 110.186 14.693 -99.200 -91.000 TYR 274 0.840 -41.226 119.396 11.172 -99.200 -91.000 PHE 284 1.000 -39.293 110.679 13.875 -99.200 -91.000 HIS 291 0.900 -35.375 116.330 -2.517 -99.200 -91.000 HIS 292 0.900 -40.028 118.237 -2.649 -99.200 -91.000 HIS 300 0.900 -39.071 124.373 8.930 -99.200 -91.000 HIS 309 0.900 -41.854 100.400 6.420 -99.200 -91.000 TYR 310 0.840 -35.598 93.839 5.881 -99.200 -91.000 TYR 313 0.840 -33.314 93.291 10.750 -99.200 -91.000 TRP 326 1.040 -45.300 87.202 26.473 -99.200 -91.000 TRP6 326 1.020 -45.823 88.086 24.345 -99.200 -91.000 PHE 327 1.000 -46.039 79.902 23.010 -99.200 -91.000 PHE 346 1.000 -36.223 99.626 -1.620 -99.200 -91.000 TYR 348 0.840 -30.408 99.461 0.514 -99.200 -91.000