============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 14 0.900 -12.490 -99.676 -27.859 -99.200 -91.000 TRP 33 1.040 -21.460-100.889 -28.919 -99.200 -91.000 TRP6 33 1.020 -23.567 -99.826 -29.101 -99.200 -91.000 PHE 34 1.000 -21.584-109.454 -28.767 -99.200 -91.000 HIS 40 0.900 -31.737-101.936 -27.586 -99.200 -91.000 PHE 41 1.000 -29.279-108.307 -35.849 -99.200 -91.000 HIS 51 0.900 -55.555-106.565 -46.710 -99.200 -91.000 TYR 58 0.840 -47.460 -89.742 -42.942 -99.200 -91.000 PHE 61 1.000 -62.065 -85.636 -48.043 -99.200 -91.000 HIS 65 0.900 -68.858 -81.730 -55.426 -99.200 -91.000 TYR 70 0.840 -77.555 -86.910 -48.215 -99.200 -91.000 PHE 76 1.000 -67.043 -86.653 -45.128 -99.200 -91.000 PHE 86 1.000 -49.673 -94.200 -43.213 -99.200 -91.000 PHE 89 1.000 -52.903 -96.891 -51.698 -99.200 -91.000 PHE 108 1.000 -58.007 -96.736 -52.029 -99.200 -91.000 PHE 112 1.000 -60.097 -89.995 -44.678 -99.200 -91.000 TYR 113 0.840 -53.303 -88.652 -39.075 -99.200 -91.000 TRP 119 1.040 -63.937 -92.410 -41.036 -99.200 -91.000 TRP6 119 1.020 -64.461 -91.340 -43.071 -99.200 -91.000 PHE 129 1.000 -63.262-110.456 -47.985 -99.200 -91.000 PHE 130 1.000 -62.476-113.684 -52.050 -99.200 -91.000 PHE 137 1.000 -60.674-112.212 -42.840 -99.200 -91.000 HIS 142 0.900 -56.637-121.069 -40.626 -99.200 -91.000 TRP 159 1.040 -59.572-122.214 -57.447 -99.200 -91.000 TRP6 159 1.020 -61.282-120.851 -58.370 -99.200 -91.000 PHE 161 1.000 -63.396-120.646 -47.448 -99.200 -91.000 TRP 162 1.040 -62.310-118.339 -52.923 -99.200 -91.000 TRP6 162 1.020 -60.685-117.785 -54.550 -99.200 -91.000 HIS 170 0.900 -70.501-109.015 -57.024 -99.200 -91.000 TYR 185 0.840 -50.039-101.018 -53.667 -99.200 -91.000 HIS 187 0.900 -51.841 -96.104 -62.919 -99.200 -91.000 HIS 189 0.900 -61.899 -96.904 -59.858 -99.200 -91.000 PHE 191 1.000 -64.903 -99.803 -55.146 -99.200 -91.000 HIS 194 0.900 -67.880-104.365 -44.213 -99.200 -91.000 PHE 196 1.000 -68.145 -98.682 -43.175 -99.200 -91.000 PHE 198 1.000 -71.821 -90.175 -44.496 -99.200 -91.000 TYR 206 0.840 -80.104 -89.425 -44.581 -99.200 -91.000 TRP 207 1.040 -79.381 -98.188 -43.566 -99.200 -91.000 TRP6 207 1.020 -78.290 -98.700 -41.514 -99.200 -91.000 PHE 210 1.000 -67.986 -94.008 -46.145 -99.200 -91.000 HIS 211 0.900 -69.093 -96.550 -54.430 -99.200 -91.000 PHE 212 1.000 -62.328 -93.119 -50.398 -99.200 -91.000 HIS 237 0.900 -48.043-103.259 -57.730 -99.200 -91.000 PHE 250 1.000 -47.003 -84.384 -54.832 -99.200 -91.000 TRP 253 1.040 -57.561 -93.385 -55.477 -99.200 -91.000 TRP6 253 1.020 -55.242 -93.234 -55.001 -99.200 -91.000 TYR 270 0.840 -80.438-103.611 -53.880 -99.200 -91.000 PHE 273 1.000 -78.392-103.219 -43.566 -99.200 -91.000 TRP 279 1.040 -76.470-100.537 -51.087 -99.200 -91.000 TRP6 279 1.020 -76.371 -98.517 -49.853 -99.200 -91.000 HIS 281 0.900 -72.680 -97.334 -59.269 -99.200 -91.000 TYR 284 0.840 -80.541 -96.648 -53.021 -99.200 -91.000 PHE 292 1.000 -57.203 -90.513 -50.987 -99.200 -91.000 TYR 301 0.840 -42.606-100.337 -44.882 -99.200 -91.000 PHE 302 1.000 -40.685-101.467 -36.633 -99.200 -91.000 PHE 310 1.000 -54.434 -97.614 -41.963 -99.200 -91.000 PHE 321 1.000 -69.142 -98.900 -35.714 -99.200 -91.000 PHE 332 1.000 -62.610-109.876 -30.684 -99.200 -91.000 TYR 334 0.840 -59.577-104.949 -39.183 -99.200 -91.000 TYR 340 0.840 -49.902-111.667 -31.003 -99.200 -91.000 HIS 346 0.900 -52.446-100.312 -31.017 -99.200 -91.000 HIS 348 0.900 -49.987 -93.429 -25.694 -99.200 -91.000 HIS 359 0.900 -58.492 -86.369 -20.085 -99.200 -91.000 TYR 361 0.840 -60.742 -94.968 -17.552 -99.200 -91.000 HIS 362 0.900 -58.466 -96.817 -22.858 -99.200 -91.000 PHE 373 1.000 -54.485 -90.106 -19.556 -99.200 -91.000 TYR 379 0.840 -62.289 -92.396 -8.145 -99.200 -91.000 TRP 387 1.040 -60.624 -90.217 -15.880 -99.200 -91.000 TRP6 387 1.020 -58.950 -89.761 -17.497 -99.200 -91.000 PHE 393 1.000 -69.466 -84.665 -29.832 -99.200 -91.000 HIS 406 0.900 -75.266-118.823 -33.222 -99.200 -91.000 TRP 407 1.040 -81.983-114.681 -36.577 -99.200 -91.000 TRP6 407 1.020 -84.147-115.594 -36.882 -99.200 -91.000 HIS 409 0.900 -74.734-117.060 -45.411 -99.200 -91.000 TYR 415 0.840 -76.137-118.592 -52.345 -99.200 -91.000 PHE 416 1.000 -75.415-119.191 -58.021 -99.200 -91.000 PHE 423 1.000 -69.906-113.607 -68.832 -99.200 -91.000 PHE 435 1.000 -65.298-116.842 -70.751 -99.200 -91.000 HIS 453 0.900 -65.579-120.779 -60.226 -99.200 -91.000 HIS 456 0.900 -71.432-122.574 -57.107 -99.200 -91.000 TYR 458 0.840 -75.478-123.305 -67.641 -99.200 -91.000 TYR 464 0.840 -68.369-116.201 -64.856 -99.200 -91.000 PHE 474 1.000 -64.940-129.716 -66.379 -99.200 -91.000 TYR 479 0.840 -70.670-126.491 -68.198 -99.200 -91.000