NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1363 8.1185 123.5819 52.1251 20.5271 178.4734 *3 A 4.2682 7.9814 124.5776 53.8797 20.7270 179.8424 4 E 4.0215 8.1048 114.6952 59.4563 29.4158 179.2796 5 A 4.0110 8.3990 120.9801 54.9002 18.4049 179.5610 6 A 3.9204 7.9209 118.9684 55.2044 18.5361 179.2083 7 E 3.8821 8.6180 118.2881 59.4935 29.6827 179.3182 8 K 4.0252 8.0930 118.3076 59.1596 31.9994 179.2218 9 A 3.9745 8.3825 121.2329 55.2148 18.3285 179.4261 10 A 3.9700 8.1627 119.2996 55.3627 18.3309 180.0363 11 K 3.9377 8.2747 116.9054 59.6061 32.1317 178.7445 12 Y 3.9657 8.2467 119.6365 60.7552 38.6304 178.0330 13 A 4.0186 8.4489 121.4566 55.3986 18.4921 179.5017 14 A 3.9236 8.3543 119.4953 55.2571 18.3315 179.7639 15 E 3.8309 8.4271 117.2304 59.4176 29.4946 179.4651 16 A 3.8080 7.8428 120.6143 54.9929 18.3861 179.5518 17 A 3.9066 8.1466 119.5189 55.1614 18.3489 179.4718 18 E 3.8422 8.2916 117.8449 59.3501 29.7585 179.0646 19 K 3.8520 8.2017 118.4082 59.4349 31.8873 179.0995 20 A 3.9458 7.9057 119.4810 55.1530 18.4203 179.0964 21 A 4.0793 8.0808 118.3356 55.4204 18.4979 179.7506 22 K 4.1042 8.1561 115.9173 59.0903 32.3577 179.9281 23 A 4.1851 7.7654 121.1885 51.7489 18.4383 177.2198 *25 A 4.0524 8.0690 129.9309 53.8750 19.0373 177.5106 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 A 8.12 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.27 1.33 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 4 E 8.10 4.02 0.00 2.11 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 0.00 2.40 2.32 0.00 5 A 8.40 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 6 A 7.92 3.92 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 7 E 8.62 3.88 0.00 2.12 2.11 0.00 0.00 0.00 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 2.37 0.00 8 K 8.09 4.03 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.71 7.81 9 A 8.38 3.97 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 10 A 8.16 3.97 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 11 K 8.27 3.94 0.00 2.01 1.90 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.67 7.81 12 Y 8.25 3.97 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.35 3.92 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 15 E 8.43 3.83 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 16 A 7.84 3.81 1.21 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 0.00 0.00 17 A 8.15 3.91 1.34 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 0.00 0.00 18 E 8.29 3.84 0.00 2.11 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 0.00 2.28 2.33 0.00 19 K 8.20 3.85 0.00 2.01 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 20 A 7.91 3.95 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 A 8.08 4.08 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 22 K 8.16 4.10 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.77 4.19 1.34 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 0.00 0.00 *25 A 8.07 4.05 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.