============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 34 0.900 -8.803 -92.252 160.811 -99.200 -91.000 HIS 44 0.900 -10.141-101.343 146.999 -99.200 -91.000 HIS 77 0.900 -0.470 -92.763 155.971 -99.200 -91.000 HIS 81 0.900 -1.056 -96.625 153.078 -99.200 -91.000 HIS 82 0.900 -5.481 -98.643 144.380 -99.200 -91.000 PHE 90 1.000 -2.273 -84.140 140.617 -99.200 -91.000 PHE 111 1.000 4.858 -86.815 163.674 -99.200 -91.000 TYR 112 0.840 -2.668 -89.836 160.448 -99.200 -91.000 HIS 118 0.900 8.571 -90.324 151.110 -99.200 -91.000 HIS 123 0.900 4.816 -94.814 145.177 -99.200 -91.000 PHE 151 1.000 8.406 -83.921 160.416 -99.200 -91.000 TYR 164 0.840 17.386 -86.743 140.091 -99.200 -91.000 TYR 189 0.840 18.913 -85.139 164.788 -99.200 -91.000 TYR 191 0.840 16.275 -93.418 161.886 -99.200 -91.000 TRP 196 1.040 20.518 -93.351 151.717 -99.200 -91.000 TRP6 196 1.020 18.260 -93.909 151.246 -99.200 -91.000 HIS 227 0.900 27.675 -89.146 159.543 -99.200 -91.000 TRP 241 1.040 28.626 -90.887 143.856 -99.200 -91.000 TRP6 241 1.020 26.919 -92.468 144.270 -99.200 -91.000 TYR 290 0.840 51.156 -74.027 153.511 -99.200 -91.000 HIS 328 0.900 46.655 -80.951 142.177 -99.200 -91.000 HIS 333 0.900 54.278 -81.045 149.926 -99.200 -91.000 HIS 346 0.900 55.808 -96.806 148.519 -99.200 -91.000 TYR 347 0.840 58.560-101.473 143.636 -99.200 -91.000 HIS 357 0.900 54.162 -94.921 126.030 -99.200 -91.000 HIS 361 0.900 40.750 -91.379 125.511 -99.200 -91.000 TRP 362 1.040 45.193 -85.286 122.899 -99.200 -91.000 TRP6 362 1.020 47.558 -85.195 122.905 -99.200 -91.000 HIS 382 0.900 67.655 -85.771 137.230 -99.200 -91.000 HIS 402 0.900 55.872 -76.558 116.840 -99.200 -91.000 HIS 424 0.900 64.167 -76.112 131.873 -99.200 -91.000 HIS 431 0.900 75.056 -90.630 131.896 -99.200 -91.000 PHE 445 1.000 64.121 -79.180 122.765 -99.200 -91.000 TYR 450 0.840 62.377 -67.676 115.524 -99.200 -91.000 HIS 491 0.900 65.710 -55.566 124.666 -99.200 -91.000 TYR 500 0.840 65.475 -70.787 132.419 -99.200 -91.000 PHE 506 1.000 78.854 -67.180 130.300 -99.200 -91.000