============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 7 1.000 -35.936 1.003 126.214 -99.200 -91.000 TYR 12 0.840 -49.041 3.291 122.211 -99.200 -91.000 PHE 15 1.000 -49.823 11.382 119.818 -99.200 -91.000 HIS 31 0.900 -54.587 23.466 100.738 -99.200 -91.000 TYR 46 0.840 -58.380 7.650 108.278 -99.200 -91.000 HIS 53 0.900 -57.651 21.270 110.095 -99.200 -91.000 TYR 71 0.840 -43.517 -8.990 92.558 -99.200 -91.000 TRP 78 1.040 -46.478 -15.851 93.510 -99.200 -91.000 TRP6 78 1.020 -44.749 -14.296 93.946 -99.200 -91.000 TYR 79 0.840 -49.150 -11.928 100.647 -99.200 -91.000 HIS 91 0.900 -45.147 -2.078 117.883 -99.200 -91.000 TYR 97 0.840 -55.207 4.615 112.146 -99.200 -91.000 PHE 101 1.000 -58.125 2.119 107.570 -99.200 -91.000 PHE 108 1.000 -43.266 -13.244 110.695 -99.200 -91.000 TRP 116 1.040 -33.030 -27.445 109.253 -99.200 -91.000 TRP6 116 1.020 -32.355 -29.491 110.230 -99.200 -91.000 TYR 117 0.840 -30.058 -21.764 116.145 -99.200 -91.000 PHE 118 1.000 -24.359 -25.164 107.483 -99.200 -91.000 TYR 138 0.840 -21.583 -19.031 118.925 -99.200 -91.000 TYR 153 0.840 -29.440 -7.776 124.520 -99.200 -91.000 TYR 171 0.840 -27.343 9.311 134.684 -99.200 -91.000 TYR 176 0.840 -26.010 2.457 130.085 -99.200 -91.000 TYR 179 0.840 -21.132 2.873 127.585 -99.200 -91.000 TYR 184 0.840 -24.527 -2.557 128.561 -99.200 -91.000 TYR 209 0.840 -22.411 -7.237 118.580 -99.200 -91.000 TYR 210 0.840 -21.843 -0.304 112.404 -99.200 -91.000 PHE 213 1.000 -26.952 -1.619 125.280 -99.200 -91.000 HIS 219 0.900 -34.603 -5.975 117.779 -99.200 -91.000 PHE 223 1.000 -37.675 -8.520 116.820 -99.200 -91.000 TYR 225 0.840 -38.038 -8.409 127.958 -99.200 -91.000 PHE 229 1.000 -43.091 -9.981 117.308 -99.200 -91.000 TYR 244 0.840 -55.054 5.791 97.279 -99.200 -91.000 HIS 252 0.900 -53.501 15.694 94.197 -99.200 -91.000 PHE 253 1.000 -51.104 7.451 94.610 -99.200 -91.000 TYR 271 0.840 -47.605 18.950 92.589 -99.200 -91.000 TYR 285 0.840 -50.714 25.468 110.073 -99.200 -91.000 PHE 300 1.000 -37.540 21.918 103.266 -99.200 -91.000 HIS 310 0.900 -24.294 17.688 111.754 -99.200 -91.000 HIS 316 0.900 -25.569 4.299 109.769 -99.200 -91.000 TYR 317 0.840 -32.539 6.462 107.188 -99.200 -91.000 PHE 324 1.000 -39.294 -11.132 99.505 -99.200 -91.000 PHE 331 1.000 -36.872 -26.016 100.169 -99.200 -91.000 TRP 332 1.040 -41.116 -24.295 103.927 -99.200 -91.000 TRP6 332 1.020 -40.978 -23.495 101.704 -99.200 -91.000 HIS 338 0.900 -45.838 -27.141 108.765 -99.200 -91.000 PHE 350 1.000 -30.736 -13.896 111.323 -99.200 -91.000 TYR 352 0.840 -37.309 -14.101 109.277 -99.200 -91.000 TYR 353 0.840 -37.787 -21.928 106.723 -99.200 -91.000 HIS 356 0.900 -48.425 -15.729 103.931 -99.200 -91.000 PHE 358 1.000 -49.385 -16.814 98.937 -99.200 -91.000 TYR 368 0.840 -35.094 -8.877 107.214 -99.200 -91.000 PHE 376 1.000 -21.523 -11.534 100.721 -99.200 -91.000 PHE 377 1.000 -27.052 -11.551 99.853 -99.200 -91.000 PHE 382 1.000 -33.861 -11.475 90.528 -99.200 -91.000 PHE 390 1.000 -32.092 -21.058 93.784 -99.200 -91.000 HIS 397 0.900 -34.411 -26.058 104.647 -99.200 -91.000 PHE 407 1.000 -38.036 -29.598 95.151 -99.200 -91.000 TYR 409 0.840 -40.252 -17.817 90.109 -99.200 -91.000 TRP 416 1.040 -36.744 -2.485 101.824 -99.200 -91.000 TRP6 416 1.020 -38.457 -1.173 100.855 -99.200 -91.000 TYR 421 0.840 -39.708 7.773 94.582 -99.200 -91.000 PHE 429 1.000 -31.740 8.526 115.703 -99.200 -91.000 TYR 432 0.840 -21.613 10.493 122.363 -99.200 -91.000 PHE 434 1.000 -32.031 6.694 119.828 -99.200 -91.000 HIS 436 0.900 -25.314 16.916 118.400 -99.200 -91.000 PHE 437 1.000 -27.238 14.532 114.705 -99.200 -91.000 TYR 449 0.840 -46.294 21.973 112.502 -99.200 -91.000 PHE 450 1.000 -39.305 18.946 108.767 -99.200 -91.000 TYR 454 0.840 -36.875 12.071 109.606 -99.200 -91.000 HIS 459 0.900 -34.980 5.635 115.359 -99.200 -91.000 TRP 461 1.040 -40.293 -1.808 115.816 -99.200 -91.000 TRP6 461 1.020 -40.853 -4.037 115.264 -99.200 -91.000