NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3278 8.3149 120.1398 55.8883 33.5874 174.8366 4 E 3.9835 8.4957 119.0748 56.2987 29.8586 175.4899 5 L 4.5711 8.0321 122.5431 53.9696 44.0575 177.1160 6 T 4.1907 8.4958 112.6629 61.0922 70.7322 175.8249 7 L 3.8985 8.3081 121.1176 58.0507 41.6738 179.4286 8 A 4.0765 7.7546 119.0716 54.9511 18.6477 179.2582 9 Q 3.7582 7.5830 116.6937 59.2290 28.6613 180.4960 10 T 3.6946 7.7897 114.2387 64.2597 68.1708 176.0886 *12 S 4.3279 8.0180 117.5147 58.3710 64.4700 174.9795 13 L 3.9204 7.9452 120.1403 57.8801 41.3546 180.8156 14 R 4.1339 7.8256 116.0451 56.3195 29.2956 178.1835 *16 V 4.0519 7.9514 118.5897 63.1865 33.4814 177.4627 17 C 4.4079 7.8419 121.7377 59.2765 29.8817 174.3954 *19 T 4.0018 7.7172 105.9219 60.8927 70.2130 173.3597 20 N 4.7174 7.9898 121.4783 51.8780 39.4305 174.3372 21 M 3.9062 8.5656 125.8985 58.3032 32.7159 178.0765 22 A 4.1167 7.8947 119.6364 54.9331 18.8842 178.5464 23 C 4.0015 7.3339 117.1699 62.4898 30.1691 175.2240 24 D 4.2086 7.9375 117.3174 56.1703 41.1249 177.3145 *26 M 4.5765 7.9947 118.7912 55.5063 33.9850 177.0159 27 A 4.6615 8.3617 120.4185 53.7342 18.9405 179.1761 28 D 4.2974 7.7145 113.5151 56.9219 40.8995 177.4064 29 A 4.5691 7.9174 118.4823 52.5658 20.5355 177.1255 30 Q 4.2392 8.2218 112.9786 55.4696 29.4390 177.0072 31 G 4.1517 7.9114 103.6896 45.7105 0.0000 174.7139 32 I 3.8092 8.1515 118.5269 63.7375 37.9158 178.2759 33 V 3.6379 7.8195 118.5286 66.1496 31.5316 177.8011 34 A 4.0614 8.0831 119.6112 54.6018 18.1635 179.4283 35 A 4.0600 8.0437 119.2514 55.6450 18.5687 178.4963 36 Y 4.3287 8.6529 118.4200 61.6852 38.8261 178.7523 37 Q 4.6434 9.0436 119.7922 58.4004 28.5974 178.6346 38 A 3.8711 7.9695 121.2429 54.9412 18.4197 179.0515 39 F 4.0107 7.6778 114.6130 58.7367 39.4757 176.3668 40 Y 4.3036 8.5332 113.1317 56.9300 39.2832 175.9915 41 G 3.9239 8.4365 107.7647 43.4863 0.0000 171.0023 42 P 4.5456 0.0000 0.0000 62.3832 31.4185 176.3528 43 I 3.5687 8.3403 115.3498 60.8182 37.5752 174.1617 44 P 4.4243 0.0000 0.0000 63.2791 32.1312 175.8561 45 F 4.5521 7.0244 118.8892 56.9432 38.0409 175.3959 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 3 K 8.31 4.33 0.00 1.79 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 E 8.50 3.98 0.00 2.02 1.88 0.00 0.00 0.00 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 2.46 0.00 5 L 8.03 4.57 0.00 1.64 1.56 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.50 4.19 4.16 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 1.12 0.00 0.00 7 L 8.31 3.90 0.00 1.60 1.75 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.75 4.08 1.20 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 0.00 0.00 9 Q 7.58 3.76 0.00 2.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 10 T 7.79 3.69 4.37 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 1.22 0.00 0.00 *12 S 8.02 4.33 0.00 3.91 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 13 L 7.95 3.92 0.00 1.86 1.55 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.83 4.13 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 *16 V 7.95 4.05 2.18 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 0.12 0.00 0.00 0.87 0.00 0.00 17 C 7.84 4.41 0.00 3.25 3.07 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 0.00 0.00 0.00 *19 T 7.72 4.00 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 20 N 7.99 4.72 0.00 2.73 2.79 0.00 0.00 6.84 7.36 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 21 M 8.57 3.91 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 22 A 7.89 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.33 4.00 0.00 2.34 2.87 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 24 D 7.94 4.21 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.99 4.58 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 27 A 8.36 4.66 1.45 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 0.00 0.00 28 D 7.71 4.30 0.00 2.67 2.76 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 29 A 7.92 4.57 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 30 Q 8.22 4.24 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 31 G 7.91 4.15 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 0.00 0.00 0.00 32 I 8.15 3.81 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.95 0.00 0.00 33 V 7.82 3.64 2.14 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 1.13 0.00 0.00 0.98 0.00 0.00 34 A 8.08 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.06 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 4.33 0.00 3.18 3.29 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 37 Q 9.04 4.64 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 38 A 7.97 3.87 1.15 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 0.00 0.00 39 F 7.68 4.01 0.00 2.52 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 0.00 0.00 0.00 0.00 40 Y 8.53 4.30 0.00 1.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 42 P 0.00 4.55 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 43 I 8.34 3.57 1.10 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 1.41 0.44 0.75 0.00 0.00 44 P 0.00 4.42 0.00 2.18 2.17 0.00 2.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 45 F 7.02 4.55 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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.