NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.4043 8.4444 116.3186 55.5500 29.6448 176.0067 *4 C 4.7371 8.7474 116.8389 55.9470 44.7268 172.8958 5 C 5.0696 7.9793 115.9281 54.4384 38.4483 171.5328 6 L 4.4172 7.8799 126.1826 54.1821 43.3213 176.1452 7 Y 3.5121 9.0682 121.6972 58.9779 35.1980 170.9571 8 G 4.1181 8.5876 109.8147 45.1508 0.0000 174.3048 9 K 4.5338 7.6671 118.2777 54.4284 34.9227 174.9786 10 C 4.6362 8.5987 121.9097 55.7216 42.6517 172.7920 11 R 4.5565 7.8634 123.9512 54.2395 31.5454 177.4470 12 R 4.2505 7.8118 117.7726 55.4987 28.6534 175.7690 13 Y 4.2987 7.3802 121.0563 61.3490 39.0086 178.8276 *15 G 3.9655 7.7915 105.3314 45.4994 0.0000 173.2601 16 C 4.6786 7.8904 117.8953 55.8551 43.5658 175.1908 17 S 3.9338 8.1998 114.1956 60.8297 61.8046 174.7894 18 S 4.7275 7.8270 113.2305 57.7595 61.8350 174.1116 19 A 4.2737 7.8582 123.8885 53.0159 18.9116 179.5771 20 S 4.5749 8.5449 114.3188 60.5327 63.9654 175.5361 21 C 4.2499 8.2570 114.5804 58.1854 41.2817 175.6547 22 C 4.2522 7.5059 116.0720 59.6216 40.0249 175.0510 23 Q 4.0211 7.7235 118.4613 58.5563 28.6141 176.0798 24 R 4.1349 7.6615 121.3899 56.7553 29.9561 174.0835 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 H 8.44 4.40 0.00 2.89 2.63 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 C 8.75 4.74 0.00 3.04 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 5.07 0.00 2.99 3.11 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 0.00 0.00 0.00 6 L 7.88 4.42 0.00 1.50 1.06 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.07 3.51 0.00 3.11 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 8 G 8.59 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 0.00 0.00 0.00 0.00 9 K 7.67 4.53 0.00 1.88 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.53 7.81 10 C 8.60 4.64 0.00 2.98 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 11 R 7.86 4.56 0.00 1.42 1.67 0.00 3.05 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 12 R 7.81 4.25 0.00 1.88 1.93 0.00 2.98 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 13 Y 7.38 4.30 0.00 2.88 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 *15 G 7.79 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 0.00 0.00 0.00 16 C 7.89 4.68 0.00 2.81 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.20 3.93 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.73 0.00 3.99 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 19 A 7.86 4.27 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 20 S 8.54 4.57 0.00 4.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.26 4.25 0.00 3.16 3.33 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 22 C 7.51 4.25 0.00 3.12 3.18 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 23 Q 7.72 4.02 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 24 R 7.66 4.13 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.