NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4766 8.3344 116.8047 58.3414 64.8294 172.9883 8 D 4.8870 7.9842 120.0680 51.4560 43.2253 173.9017 9 F 5.5390 8.8205 117.5542 55.2885 42.0510 173.5444 10 V 4.6698 9.1698 112.5579 59.6274 35.3334 174.7981 11 V 4.7856 8.6479 124.3039 61.4714 33.6054 174.4887 12 I 4.9814 9.0074 128.6897 59.3893 40.6728 174.1199 13 K 5.0667 9.1858 128.9626 54.3574 34.6440 174.7725 14 A 4.5720 8.8368 130.1532 52.0259 19.0707 177.5847 15 L 4.4839 9.1207 123.0144 55.1808 42.6883 175.8484 16 E 4.7977 7.7907 115.5180 54.5790 33.1522 174.6536 17 D 4.6045 8.7204 119.3388 54.9779 41.5721 176.0708 18 G 3.8464 8.3226 107.1874 46.7629 0.0000 174.4160 19 V 3.9915 7.8622 119.2543 62.2677 33.3164 174.1881 20 N 5.2100 9.3257 125.9034 51.9034 41.0579 173.2621 21 V 4.4967 8.6520 127.6139 61.5666 33.0789 174.0092 22 I 4.6001 8.7504 130.4025 59.5312 38.9902 175.2323 23 G 4.3308 9.4162 116.1337 45.0989 0.0000 172.5459 24 L 4.8418 8.5914 124.1850 53.8142 45.3505 178.0471 25 T 3.3258 7.8322 116.3641 65.2474 66.0905 173.3400 *32 F 4.5121 7.7816 120.2811 57.7013 40.1144 175.9600 33 H 4.4611 8.3977 116.4677 58.0262 29.4431 174.9531 34 H 4.4690 8.0093 120.4131 55.5858 32.3682 172.4571 35 S 4.7553 8.4814 120.9342 57.0690 64.6031 173.2836 36 E 4.4204 8.2057 124.6755 54.9541 32.4242 174.2315 37 K 4.7597 8.7921 129.5200 56.6358 33.4723 177.1823 *38 L 4.8801 9.0422 125.6038 53.2821 44.9295 174.3900 39 D 5.1215 10.3597 126.4734 51.8400 43.8302 176.5781 *40 K 3.9216 8.7531 122.6812 57.3354 31.4559 178.1092 41 G 4.0722 9.4478 114.8757 43.9796 0.0000 173.1691 42 E 4.3031 8.3342 119.9481 56.1885 30.9338 175.9589 43 V 4.9223 8.2438 121.4323 61.0399 34.5027 174.2046 44 L 4.6990 9.1268 129.7793 53.3037 44.8105 174.9973 45 I 4.8683 8.4545 126.6182 59.8525 38.5963 174.3632 46 A 4.6398 9.0325 130.3895 50.1431 20.9266 175.2739 47 Q 4.9981 8.4803 123.4489 54.2823 31.5960 174.8207 48 F 4.4925 8.7788 124.2197 57.4888 39.6541 175.8810 49 T 4.5752 8.4480 114.7347 59.7960 71.1639 174.2893 50 E 4.1541 8.7635 118.6193 59.8240 29.8376 177.7812 51 H 4.0259 8.4690 115.5508 57.8883 28.8133 174.8579 52 T 4.7065 7.5157 115.2902 61.7663 69.0772 173.9057 53 S 4.5299 8.8378 122.4829 60.4717 63.9276 174.5765 54 A 5.1317 8.0451 120.3499 49.7669 22.9697 174.7650 55 I 4.9329 8.6312 121.7020 60.1095 40.5486 175.6818 56 K 4.6163 9.1008 130.8910 53.3681 34.4240 172.0337 57 V 4.7460 8.3613 124.0513 60.5652 33.7297 174.6698 58 R 4.4944 9.1888 127.9145 54.7924 32.2460 175.4218 59 G 4.0504 8.9724 111.5374 43.5758 0.0000 173.5720 *60 K 4.3862 9.0417 123.3294 54.7400 32.2343 174.2234 61 A 5.1210 9.0315 127.0161 49.6710 23.4864 173.7353 62 Y 4.9516 9.2191 121.4557 56.0266 40.9825 174.5424 63 I 4.9301 8.5286 127.5538 59.5338 40.6950 174.3114 64 Q 4.8190 9.0459 126.5244 54.2901 31.2128 174.9412 65 T 4.8704 8.4807 112.9494 59.2582 72.4022 174.6403 66 R 3.6442 8.5638 121.1735 59.6471 29.8035 176.3539 67 H 4.6888 7.6393 112.3876 55.5316 29.0191 174.3620 68 G 3.7291 8.0477 107.0813 44.2211 0.0000 173.4006 69 V 4.5743 7.7435 111.1936 60.5304 33.7120 175.4988 70 I 4.4015 8.1918 120.7732 60.1096 41.8764 172.5089 71 E 5.2449 8.7608 128.3286 54.3928 31.8364 174.9489 72 S 4.6852 9.0794 122.3938 57.1294 65.2134 174.3916 73 E 4.2807 8.6934 122.1476 56.4688 29.6528 175.7346 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 7 S 8.33 4.48 0.00 3.92 4.03 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 8 D 7.98 4.89 0.00 2.80 2.57 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 F 8.82 5.54 0.00 3.13 2.99 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 0.00 0.00 0.00 10 V 9.17 4.67 2.07 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 0.71 0.00 0.00 0.86 0.00 0.00 11 V 8.65 4.79 2.14 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 1.07 0.00 0.00 1.16 0.00 0.00 12 I 9.01 4.98 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.91 0.00 0.00 13 K 9.19 5.07 0.00 1.89 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.84 4.57 1.30 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 15 L 9.12 4.48 0.00 1.60 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 4.80 0.00 1.90 1.89 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 2.17 2.33 0.00 17 D 8.72 4.60 0.00 2.69 2.64 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 G 8.32 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.86 3.99 2.07 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 0.94 0.00 0.00 0.98 0.00 0.00 20 N 9.33 5.21 0.00 2.77 2.56 0.00 0.00 6.64 7.71 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 V 8.65 4.50 2.01 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 0.83 0.00 0.00 0.89 0.00 0.00 22 I 8.75 4.60 1.56 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.30 0.32 0.00 0.00 23 G 9.42 4.33 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 24 L 8.59 4.84 0.00 1.87 1.60 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.83 3.33 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 1.22 0.00 0.00 *32 F 7.78 4.51 0.00 2.94 3.14 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 H 8.40 4.46 0.00 3.33 3.49 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.01 4.47 0.00 2.78 2.98 0.00 5.76 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.48 4.76 0.00 3.80 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 36 E 8.21 4.42 0.00 1.94 1.73 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 2.15 2.28 0.00 37 K 8.79 4.76 0.00 1.66 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.42 7.81 *38 L 9.04 4.88 0.00 1.24 1.47 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.36 5.12 0.00 2.73 2.68 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 *40 K 8.75 3.92 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.31 7.81 41 G 9.45 4.07 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 42 E 8.33 4.30 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 43 V 8.24 4.92 2.09 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.13 4.70 0.00 1.71 1.45 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.87 1.71 0.00 0.00 0.83 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 0.91 0.60 0.00 0.00 46 A 9.03 4.64 1.10 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 0.00 0.00 47 Q 8.48 5.00 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.78 4.49 0.00 3.07 2.99 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 0.00 0.00 0.00 49 T 8.45 4.58 4.30 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 1.23 0.00 0.00 50 E 8.76 4.15 0.00 2.11 2.15 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 2.34 2.35 0.00 51 H 8.47 4.03 0.00 3.14 3.43 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.52 4.71 4.33 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 1.27 0.00 0.00 53 S 8.84 4.53 0.00 3.91 4.01 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 A 8.05 5.13 1.28 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 55 I 8.63 4.93 1.80 0.00 0.00 0.13 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 0.56 0.82 0.00 0.00 56 K 9.10 4.62 0.00 1.39 1.65 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.23 7.81 57 V 8.36 4.75 2.06 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 0.96 0.00 0.00 0.90 0.00 0.00 58 R 9.19 4.49 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 59 G 8.97 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 0.00 0.00 0.00 *60 K 9.04 4.39 0.00 1.48 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.27 7.81 61 A 9.03 5.12 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.22 4.95 0.00 2.98 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 63 I 8.53 4.93 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.85 0.00 0.00 64 Q 9.05 4.82 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 65 T 8.48 4.87 4.12 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 1.17 0.00 0.00 66 R 8.56 3.64 0.00 1.58 1.78 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 67 H 7.64 4.69 0.00 3.19 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.05 3.73 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 0.00 0.00 0.00 69 V 7.74 4.57 1.56 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 0.67 0.00 0.00 0.98 0.00 0.00 70 I 8.19 4.40 1.83 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 1.10 0.91 0.85 0.00 0.00 71 E 8.76 5.24 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 72 S 9.08 4.69 0.00 3.92 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 73 E 8.69 4.28 0.00 1.97 1.88 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 2.23 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.