NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9494 8.2085 108.0080 46.0645 0.0000 172.6429 2 A 4.7734 8.4407 123.5553 49.0673 20.7571 174.8662 3 Q 4.2382 8.5212 126.6776 55.3744 27.6732 172.4935 4 V 3.6267 7.7200 120.8935 62.6904 32.3607 175.2858 5 S 4.8304 8.3948 123.8358 57.1922 66.2497 172.6928 6 R 4.7020 7.9932 119.2522 55.9888 31.9231 173.0542 7 Q 4.4255 8.3568 125.3680 56.7358 36.1465 173.6870 *23 S 4.4293 7.8911 111.6030 58.0827 63.3324 173.3191 24 L 4.5474 8.3199 129.4138 53.5995 42.6799 173.6898 25 N 4.9577 8.4420 122.5108 51.5936 40.0269 173.7151 26 Y 4.6163 8.2166 124.5055 56.1614 40.9822 174.3574 27 F 4.9552 8.3131 125.8111 55.6350 39.3232 173.5380 28 N 4.2347 7.3474 120.0251 52.7597 38.6832 172.1234 29 I 5.2165 7.6971 124.8169 58.9442 38.9703 174.6166 30 N 4.6326 8.3056 125.3418 52.0490 39.4142 173.9212 31 Y 4.0979 8.3926 124.7142 59.5270 38.3773 175.7979 32 F 5.0116 7.8244 116.6751 55.6917 42.0944 174.5962 33 K 4.5814 8.7016 119.2942 56.4217 32.1747 176.4163 34 D 4.9247 7.8488 118.3627 52.0984 44.2896 176.6603 35 A 3.9980 8.7899 125.7393 55.2557 18.6301 179.6502 36 A 4.0743 7.9611 117.4090 55.1742 18.6280 178.9250 37 S 4.2324 7.8467 111.8606 61.1134 63.0981 175.1783 38 S 4.4338 7.6526 114.4788 57.6949 63.4418 174.9619 39 G 3.8650 8.2872 109.5931 44.6963 0.0000 173.0372 40 A 4.0682 8.4969 121.5154 52.6276 18.7165 178.0903 41 S 4.4433 8.3101 116.7217 58.0881 63.7791 174.5968 42 R 4.2516 8.1769 121.0275 55.9437 30.6893 176.4822 43 L 4.3634 8.0357 119.4363 54.5626 43.1696 176.6918 44 D 4.8491 8.6214 118.6202 54.5750 41.6927 174.5723 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 1 G 8.21 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.77 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.24 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 4 V 7.72 3.63 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 0.61 0.00 0.00 1.23 0.00 0.00 5 S 8.39 4.83 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.70 0.00 1.72 1.71 0.00 3.26 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 7 Q 8.36 4.43 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.34 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 *23 S 7.89 4.43 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.32 4.55 0.00 1.79 1.52 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.44 4.96 0.00 2.55 2.23 0.00 0.00 7.11 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.22 4.62 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 27 F 8.31 4.96 0.00 2.88 2.79 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 0.00 0.00 0.00 0.00 28 N 7.35 4.23 0.00 2.18 2.48 0.00 0.00 7.02 7.98 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 29 I 7.70 5.22 1.28 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.21 0.20 0.00 0.00 30 N 8.31 4.63 0.00 2.60 2.71 0.00 0.00 7.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.39 4.10 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 5.01 0.00 3.06 2.96 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 33 K 8.70 4.58 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 34 D 7.85 4.92 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.07 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.85 4.23 0.00 4.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.65 4.43 0.00 3.97 4.18 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 0.00 0.00 0.00 0.00 39 G 8.29 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.50 4.07 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 41 S 8.31 4.44 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.18 4.25 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 43 L 8.04 4.36 0.00 1.62 1.58 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.62 4.85 0.00 2.69 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.