NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7054 8.2827 118.2166 52.2079 39.1027 174.6015 3 L 3.7551 8.4267 118.7794 58.0228 41.9385 177.3554 4 K 4.0216 8.9421 119.2333 59.5195 32.3342 178.5061 5 D 4.3991 8.4194 119.3400 57.2124 40.6947 178.6874 6 L 4.0483 8.0084 119.5794 57.7915 41.5830 179.6612 7 L 3.9882 8.1137 118.7489 57.5971 41.5282 179.3011 8 A 3.9932 7.8915 120.3308 55.3122 18.3406 179.1141 9 H 4.0492 8.6161 117.1403 59.3850 29.7499 177.2643 10 R 3.8369 7.9977 119.3531 59.6377 29.9746 177.7610 11 E 4.0608 7.9742 117.5476 59.2835 29.8142 178.0714 12 N 4.5178 8.5525 117.0555 56.1209 38.5327 177.3923 13 L 4.2308 7.7328 117.6858 55.2755 41.4634 178.4739 *15 D 4.5273 8.0497 120.4317 54.3485 42.9553 177.7549 16 S 4.1699 8.3061 114.1437 61.1097 62.9956 176.1886 17 A 4.0010 8.1265 124.6264 54.8322 17.9590 179.8226 18 K 3.9346 7.8259 116.6400 59.6847 32.2438 179.5732 19 R 3.8877 8.1745 118.1685 59.1973 29.7028 179.0323 20 A 4.0055 7.9519 120.0511 55.0818 18.3521 179.5595 21 R 4.0749 8.1008 114.4507 59.1004 29.5064 179.1394 22 S 4.1139 8.1875 115.4943 61.4305 62.8518 176.1479 23 A 4.2180 7.6690 122.3008 54.0280 19.3829 178.4857 24 I 4.0660 6.9621 119.3456 60.7788 35.4014 175.5724 25 T 4.3555 7.5143 114.0272 60.6049 70.4019 175.9624 26 D 4.7143 8.5988 121.4981 53.9998 39.7783 177.1703 27 D 4.5699 7.3460 121.6062 52.0936 38.2574 175.2658 *29 D 4.3505 7.6374 122.2982 53.9230 43.5147 172.8309 30 P 4.1773 0.0000 0.0000 66.2664 31.1227 178.2904 31 A 3.9517 8.0213 120.1313 54.9961 18.3731 179.3987 32 D 4.3087 8.0778 116.7155 57.3392 40.9372 178.7387 33 A 3.9620 8.5604 121.5393 55.1016 18.4642 179.5296 34 A 3.9427 8.3197 119.6705 55.2093 18.4414 179.6916 35 Q 3.8439 8.1905 117.7960 59.3633 29.2216 178.0717 36 A 3.9947 8.5382 122.1258 55.4630 18.3564 179.8192 37 V 3.5713 7.9016 116.5480 65.8467 31.5446 177.9129 38 E 3.9258 7.9729 118.7615 59.3748 29.5314 178.5440 39 N 4.3352 8.2508 116.5018 56.2795 38.5799 177.5921 40 V 3.5762 7.8384 119.5804 66.0374 31.6834 178.1569 41 K 4.0659 8.1408 118.1234 59.6292 31.6690 179.5165 42 S 4.1727 7.8685 115.0285 61.4245 62.8008 176.7194 43 I 3.7380 7.8204 122.7874 64.3443 36.8622 178.4998 44 I 3.6944 8.2108 114.4306 64.1274 37.2331 178.0676 45 S 4.0746 8.1675 114.7924 61.2604 62.1113 176.0898 46 E 4.0480 7.9333 121.4712 59.0018 29.1804 178.9788 47 I 3.6834 7.8549 120.0090 64.6000 37.3244 178.1159 48 E 3.9542 8.2757 119.1514 59.6903 29.4133 179.5779 49 S 4.4358 7.8662 113.8143 61.0133 62.3342 176.2968 50 T 4.0209 8.0689 118.7624 66.3760 68.2035 176.4392 51 D 4.3762 8.5052 121.3882 57.5181 40.4602 178.8117 52 E 3.9514 8.2019 118.5316 59.3324 29.3967 179.1411 53 A 4.0783 7.8020 120.3100 55.2852 18.3157 179.8286 54 I 3.6397 8.0500 118.1291 64.3520 37.1912 178.5190 55 A 3.9446 8.1807 121.4341 55.0279 18.2084 179.3900 56 A 3.9263 8.3642 119.6775 55.5559 18.5969 180.1335 57 R 3.8741 8.1971 116.6004 59.3641 30.1130 179.6511 58 R 4.1064 8.3396 118.1768 59.1764 30.0729 179.1598 59 G 3.6793 8.4686 105.9401 47.9879 0.0000 175.7242 60 V 3.6281 7.9690 121.1718 65.6928 31.4679 178.1940 61 S 4.2281 7.8102 112.4483 61.0305 61.7012 176.1292 62 D 4.3405 8.0253 122.9133 57.2291 40.5424 178.9485 63 V 3.5764 8.1630 118.9538 66.4473 31.6146 178.1481 64 T 3.9373 7.9668 115.5037 66.7056 68.0964 175.8408 65 Q 4.1398 7.8333 118.7909 57.4151 29.2886 176.8442 66 K 4.3738 7.2239 116.0007 58.4101 33.5277 177.8539 67 L 3.9953 8.1641 119.6638 58.0900 41.7496 179.5578 68 K 3.9746 8.2513 118.0524 59.7035 31.9240 178.9415 69 G 3.9564 7.4913 101.5125 45.3289 0.0000 173.6983 70 L 4.7126 7.8651 119.3390 54.3976 42.7813 176.7079 71 T 4.1322 7.4241 116.1048 64.0879 69.1816 174.9107 72 I 3.5085 8.5931 124.7286 61.7614 36.8273 173.2086 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.71 0.00 2.96 3.05 0.00 0.00 5.75 5.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.43 3.76 0.00 1.86 1.71 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.94 4.02 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 D 8.42 4.40 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.01 4.05 0.00 1.92 1.73 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.11 3.99 0.00 1.85 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.89 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.62 4.05 0.00 3.33 3.53 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.00 3.84 0.00 2.00 2.08 0.00 3.48 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 11 E 7.97 4.06 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 12 N 8.55 4.52 0.00 2.86 2.83 0.00 0.00 7.01 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.73 4.23 0.00 1.94 1.62 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *15 D 8.05 4.53 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.31 4.17 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.13 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.83 3.93 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 19 R 8.17 3.89 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 20 A 7.95 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.10 4.07 0.00 2.11 2.34 0.00 2.83 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 22 S 8.19 4.11 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.67 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.96 4.07 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.91 0.00 0.00 25 T 7.51 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 D 8.60 4.71 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.35 4.57 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 D 7.64 4.35 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.18 0.00 2.29 2.33 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 31 A 8.02 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.08 4.31 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.56 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.32 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.19 3.84 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.54 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.90 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 38 E 7.97 3.93 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 39 N 8.25 4.34 0.00 2.99 2.85 0.00 0.00 6.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.84 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 41 K 8.14 4.07 0.00 2.03 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 42 S 7.87 4.17 0.00 4.09 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.82 3.74 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.92 0.00 0.00 44 I 8.21 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.99 0.00 0.00 45 S 8.17 4.07 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.93 4.05 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 47 I 7.85 3.68 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.90 0.00 0.00 48 E 8.28 3.95 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 49 S 7.87 4.44 0.00 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.07 4.02 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 51 D 8.51 4.38 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.20 3.95 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 53 A 7.80 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.05 3.64 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.91 0.00 0.00 55 A 8.18 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.36 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.20 3.87 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 58 R 8.34 4.11 0.00 1.97 1.97 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 G 8.47 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.97 3.63 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 61 S 7.81 4.23 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.03 4.34 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.16 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 64 T 7.97 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 65 Q 7.83 4.14 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 66 K 7.22 4.37 0.00 2.06 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 67 L 8.16 4.00 0.00 1.83 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.25 3.97 0.00 1.88 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 69 G 7.49 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.87 4.71 0.00 1.72 1.66 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.42 4.13 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 72 I 8.59 3.51 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.29 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.