NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8461 8.4549 115.5915 55.4509 40.0779 171.8434 2 K 4.6209 8.7528 117.6685 53.4689 35.8599 177.5729 3 S 4.3044 8.8939 119.6081 59.4455 63.3334 176.3443 *5 G 3.9450 9.3640 104.7208 46.0096 0.0000 173.9056 6 S 4.4615 8.1669 116.0031 58.6251 64.2417 173.6017 7 S 5.0501 8.5184 117.4539 57.8446 63.2780 171.8792 8 C 5.2362 9.0318 121.5871 52.8035 44.9833 174.4593 9 S 4.3364 8.9857 114.0817 58.9735 61.9383 175.8656 *11 T 4.2963 8.4467 105.1575 61.1579 68.2821 175.1922 12 S 4.1272 7.9131 118.9698 61.1652 63.4634 175.8819 13 Y 3.5068 7.5875 115.3951 58.9782 35.4592 169.3350 14 N 4.9584 7.8014 115.7658 53.1732 39.8503 172.5627 15 C 5.2703 7.7791 115.0257 55.8285 42.0818 175.3717 16 C 4.2709 9.0892 122.2824 58.9622 40.1257 174.5483 17 R 4.2870 8.7974 115.6098 55.7901 32.3770 175.5534 18 S 4.8067 7.0043 108.8299 58.2992 65.3504 174.9719 19 C 5.1369 8.1808 120.6793 54.9747 44.0236 171.5505 20 N 4.5686 8.7556 120.8480 51.8459 41.0955 174.5964 *22 Y 4.7873 8.2821 115.9191 57.7573 39.4793 175.4700 23 T 4.5016 7.6652 108.3374 62.3705 73.1645 174.6733 24 K 3.8923 8.8951 120.4299 57.2109 29.3776 175.7166 25 R 5.0967 7.4705 115.5735 54.2281 33.9600 175.9454 26 C 4.6972 9.1331 119.4069 56.9841 41.1040 173.4528 27 Y 4.0228 8.7926 122.7756 58.0932 37.9613 175.9154 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 C 8.45 4.85 0.00 3.06 3.21 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 0.00 0.00 0.00 0.00 2 K 8.75 4.62 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.61 7.81 3 S 8.89 4.30 0.00 3.90 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 G 9.36 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 6 S 8.17 4.46 0.00 3.88 3.80 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 7 S 8.52 5.05 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 9.03 5.24 0.00 2.92 3.05 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 9 S 8.99 4.34 0.00 3.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 T 8.45 4.30 4.57 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 1.29 0.00 0.00 12 S 7.91 4.13 0.00 3.94 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 13 Y 7.59 3.51 0.00 3.02 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 14 N 7.80 4.96 0.00 2.95 2.75 0.00 0.00 7.13 7.55 0.00 0.00 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 C 7.78 5.27 0.00 3.00 3.02 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 16 C 9.09 4.27 0.00 2.91 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 17 R 8.80 4.29 0.00 1.80 1.91 0.00 3.46 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 18 S 7.00 4.81 0.00 3.95 3.93 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 19 C 8.18 5.14 0.00 3.01 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 20 N 8.76 4.57 0.00 2.26 2.48 0.00 0.00 7.57 7.82 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 *22 Y 8.28 4.79 0.00 3.07 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 23 T 7.67 4.50 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 24 K 8.90 3.89 0.00 1.93 2.22 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.33 7.81 25 R 7.47 5.10 0.00 1.70 1.75 0.00 3.08 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 26 C 9.13 4.70 0.00 2.93 3.05 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 27 Y 8.79 4.02 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.