NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 G 4.0292 8.4545 109.7364 44.3999 0.0000 173.4802 16 K 4.0436 7.7414 129.1045 54.4246 38.7275 177.1773 17 G 3.9031 9.9161 107.7330 47.5012 0.0000 174.0370 18 S 4.6726 7.4869 118.0308 57.4345 63.8290 181.0576 19 R 4.4261 8.8300 130.0865 58.4856 30.5073 172.5296 20 Q 3.0007 8.0236 119.0774 57.9781 29.9151 177.7748 21 C 4.9458 8.8744 108.2413 59.8679 43.5092 173.3361 22 R 3.1644 8.7479 122.5768 57.4991 29.5483 181.2802 23 V 3.3955 9.3625 112.7311 64.4851 32.9068 180.4492 24 C 4.1891 9.0446 116.7795 55.8027 36.1643 172.5515 25 S 4.0295 9.1286 127.5764 60.8471 62.1143 171.4590 26 S 4.2229 7.8384 119.7638 59.7468 59.6175 180.8881 *27 H 4.2131 8.4653 119.3217 56.0469 27.8724 177.1805 28 T 4.4538 9.4696 113.0557 63.4507 69.7450 176.4784 29 G 3.4743 9.1495 118.2132 44.6984 0.0000 172.7279 30 L 4.1728 7.8354 123.3019 54.9487 41.5854 180.7426 31 I 4.7601 7.5123 117.1425 60.2666 38.1491 173.0905 32 R 4.3349 7.8551 115.4855 59.5802 31.0829 174.1004 33 K 4.2086 8.3518 123.5949 58.6131 33.9812 181.3094 *34 Y 4.3671 8.2870 114.6477 56.4664 35.5282 179.9436 35 G 4.9365 8.9728 125.4606 47.8216 0.0000 173.3662 36 L 4.0727 7.8432 123.9178 54.4390 39.1100 185.0000 37 N 4.5533 9.4137 120.5867 52.6478 36.8242 176.0569 38 I 4.1653 8.1093 113.7162 61.8197 36.4449 174.2044 39 C 3.8883 8.8530 119.5474 59.1212 39.6508 177.4613 40 R 3.5489 7.6169 113.8425 61.2685 29.4313 180.9028 41 Q 4.5634 7.8400 121.3835 56.1380 28.9714 178.4845 42 C 4.8316 8.0311 118.9064 57.9523 43.2185 179.2915 *43 F 4.1473 8.2057 117.7331 57.6401 37.4592 177.6905 44 R 4.5210 9.6164 123.0684 57.9906 34.8897 179.2553 45 E 4.8276 8.1611 115.2991 56.0536 30.5482 182.1137 46 K 4.7526 7.8407 122.2063 56.5713 39.1652 178.1724 47 A 4.6424 7.8612 127.2381 50.8423 16.3273 176.3570 48 N 4.2889 8.2260 125.8304 52.1243 36.7819 175.0151 49 D 4.5621 7.4915 123.0145 54.2531 44.6181 178.0648 50 I 5.5285 7.0025 112.9328 58.5626 39.6592 180.8613 51 G 4.0239 8.9941 106.2831 50.3461 0.0000 178.1583 *52 F 2.9889 9.7307 120.7190 57.1097 39.2935 178.5774 53 N 4.4954 8.6203 121.2814 53.0029 37.2823 175.4698 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 15 G 8.45 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 0.00 0.00 0.00 16 K 7.74 4.04 0.00 1.71 1.25 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.07 7.81 17 G 9.92 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 0.00 0.00 0.00 18 S 7.49 4.67 0.00 3.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.83 4.43 0.00 1.78 1.75 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 20 Q 8.02 3.00 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.39 0.00 0.00 0.00 0.00 0.00 2.22 1.88 0.00 21 C 8.87 4.95 0.00 2.67 2.86 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 0.00 0.00 0.00 22 R 8.75 3.16 0.00 1.90 1.71 0.00 3.26 0.00 0.00 3.26 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 23 V 9.36 3.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 24 C 9.04 4.19 0.00 2.83 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.13 4.03 0.00 3.64 3.92 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 26 S 7.84 4.22 0.00 3.70 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 4.21 0.00 2.92 2.99 0.00 7.11 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.47 4.45 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 G 9.15 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.84 4.17 0.00 1.68 1.50 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.51 4.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.91 0.00 0.00 32 R 7.86 4.33 0.00 1.81 1.68 0.00 3.25 0.00 0.00 3.26 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 33 K 8.35 4.21 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.02 7.81 *34 Y 8.29 4.37 0.00 2.32 1.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 4.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.07 0.00 1.58 1.09 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.41 4.55 0.00 2.91 2.80 0.00 0.00 6.46 7.72 0.00 0.00 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 I 8.11 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.91 0.00 0.00 39 C 8.85 3.89 0.00 2.75 3.15 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 0.00 0.00 0.00 40 R 7.62 3.55 0.00 1.82 1.74 0.00 3.22 0.00 0.00 3.26 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.00 41 Q 7.84 4.56 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 42 C 8.03 4.83 0.00 2.68 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 *43 F 8.21 4.15 0.00 2.26 2.22 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 44 R 9.62 4.52 0.00 1.76 1.78 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 45 E 8.16 4.83 0.00 1.96 1.81 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 2.13 1.84 0.00 46 K 7.84 4.75 0.00 1.62 1.75 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.00 7.81 47 A 7.86 4.64 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 48 N 8.23 4.29 0.00 2.83 2.98 0.00 0.00 6.72 8.06 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 49 D 7.49 4.56 0.00 2.63 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 50 I 7.00 5.53 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.64 0.91 0.00 0.00 51 G 8.99 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 0.00 0.00 0.00 *52 F 9.73 2.99 0.00 2.40 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.62 4.50 0.00 2.80 2.90 0.00 0.00 6.40 7.56 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 * Residues marked with a * may have inaccurate shift predictions.