============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. PHE 28 1.000 133.973 104.122-161.041 -99.200 -91.000 PHE 33 1.000 122.480 113.336-155.782 -99.200 -91.000 PHE 43 1.000 115.878 126.621-145.406 -99.200 -91.000 TRP 52 1.040 132.511 116.277-164.647 -99.200 -91.000 TRP6 52 1.020 130.599 115.168-163.823 -99.200 -91.000 PHE 61 1.000 132.492 106.511-148.866 -99.200 -91.000 TYR 66 0.840 126.398 122.530-140.699 -99.200 -91.000 TYR 68 0.840 122.645 116.529-132.083 -99.200 -91.000 TYR 73 0.840 125.298 107.217-123.261 -99.200 -91.000 PHE 76 1.000 128.359 103.225-126.330 -99.200 -91.000 TRP 82 1.040 124.646 104.393-135.114 -99.200 -91.000 TRP6 82 1.020 123.946 103.038-136.912 -99.200 -91.000 TYR 94 0.840 129.350 116.121-153.817 -99.200 -91.000 TRP 98 1.040 131.100 100.475-152.993 -99.200 -91.000 TRP6 98 1.020 129.725 102.080-151.936 -99.200 -91.000 TYR 101 0.840 139.123 94.606-161.635 -99.200 -91.000 TRP 113 1.040 122.097 102.181-147.134 -99.200 -91.000 TRP6 113 1.020 120.749 100.592-146.019 -99.200 -91.000 TYR 115 0.840 121.932 109.055-145.269 -99.200 -91.000 PHE 119 1.000 112.775 111.063-142.717 -99.200 -91.000 TYR 120 0.840 118.521 112.927-135.478 -99.200 -91.000 TYR 129 0.840 124.688 103.234-143.381 -99.200 -91.000 PHE 133 1.000 133.659 93.848-146.771 -99.200 -91.000 TYR 147 0.840 118.400 110.965-146.935 -99.200 -91.000 PHE 152 1.000 121.094 123.199-142.744 -99.200 -91.000 PHE 154 1.000 113.439 115.505-144.979 -99.200 -91.000 TRP 178 1.040 124.110 110.447-161.650 -99.200 -91.000 TRP6 178 1.020 125.224 108.366-161.483 -99.200 -91.000 PHE 186 1.000 129.277 104.096-162.814 -99.200 -91.000 PHE 196 1.000 120.245 97.975-149.618 -99.200 -91.000 HIS 208 0.900 111.880 108.010-152.980 -99.200 -91.000 PHE 218 1.000 110.545 102.238-156.196 -99.200 -91.000 HIS 219 0.900 112.726 98.409-162.081 -99.200 -91.000 TRP 232 1.040 109.016 106.858-136.357 -99.200 -91.000 TRP6 232 1.020 110.282 106.696-138.337 -99.200 -91.000 HIS 249 0.900 108.386 133.431-134.339 -99.200 -91.000 HIS 274 0.900 118.910 128.588-132.028 -99.200 -91.000 TRP 276 1.040 118.232 118.133-131.466 -99.200 -91.000 TRP6 276 1.020 117.278 116.033-131.959 -99.200 -91.000 HIS 277 0.900 116.530 125.127-128.812 -99.200 -91.000 PHE 285 1.000 111.518 105.461-133.268 -99.200 -91.000 PHE 287 1.000 113.496 110.761-135.217 -99.200 -91.000 PHE 289 1.000 112.934 121.744-138.606 -99.200 -91.000 PHE 297 1.000 108.012 112.380-152.296 -99.200 -91.000 PHE 311 1.000 100.466 99.336-152.282 -99.200 -91.000 HIS 312 0.900 96.979 93.387-158.127 -99.200 -91.000 TYR 327 0.840 119.340 104.519-130.523 -99.200 -91.000 PHE 328 1.000 114.864 104.748-131.312 -99.200 -91.000 TYR 331 0.840 119.578 109.255-127.559 -99.200 -91.000 PHE 336 1.000 114.368 102.137-119.639 -99.200 -91.000 PHE 349 1.000 105.693 99.943-117.483 -99.200 -91.000 HIS 371 0.900 98.950 94.385-124.950 -99.200 -91.000 TYR 372 0.840 103.076 97.146-124.690 -99.200 -91.000 TRP 375 1.040 97.964 93.509-115.418 -99.200 -91.000 TRP6 375 1.020 98.123 95.589-114.300 -99.200 -91.000 HIS 377 0.900 105.649 87.410-112.603 -99.200 -91.000 HIS 395 0.900 103.431 104.994-130.822 -99.200 -91.000 TYR 416 0.840 108.976 86.528-150.424 -99.200 -91.000 TYR 418 0.840 114.087 91.614-142.006 -99.200 -91.000 PHE 420 1.000 120.213 90.527-138.045 -99.200 -91.000 HIS 422 0.900 124.022 86.787-134.191 -99.200 -91.000 TRP 429 1.040 124.331 100.646-128.723 -99.200 -91.000 TRP6 429 1.020 123.764 102.656-127.611 -99.200 -91.000 TRP 432 1.040 120.280 97.681-120.544 -99.200 -91.000 TRP6 432 1.020 118.613 98.995-121.582 -99.200 -91.000 HIS 437 0.900 115.695 101.580-135.334 -99.200 -91.000 TYR 439 0.840 123.705 98.558-133.158 -99.200 -91.000 PHE 443 1.000 125.919 90.565-137.923 -99.200 -91.000 PHE 445 1.000 125.125 98.189-146.656 -99.200 -91.000 TYR 455 0.840 131.588 91.854-137.108 -99.200 -91.000 PHE 462 1.000 123.091 85.965-139.290 -99.200 -91.000 TYR 469 0.840 118.296 84.267-146.421 -99.200 -91.000 TRP 470 1.040 118.891 92.890-147.749 -99.200 -91.000 TRP6 470 1.020 117.751 91.618-146.115 -99.200 -91.000 PHE 473 1.000 112.726 91.768-152.369 -99.200 -91.000 TRP 488 1.040 111.288 84.778-145.942 -99.200 -91.000 TRP6 488 1.020 113.205 86.150-145.798 -99.200 -91.000 TYR 491 0.840 102.962 89.762-142.831 -99.200 -91.000 TYR 498 0.840 107.524 86.429-137.572 -99.200 -91.000 PHE 519 1.000 96.970 99.969-126.958 -99.200 -91.000 TRP 520 1.040 101.002 99.763-129.857 -99.200 -91.000 TRP6 520 1.020 101.168 101.866-128.784 -99.200 -91.000 PHE 523 1.000 90.697 100.106-127.049 -99.200 -91.000