NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3168 8.4449 118.7972 55.4448 32.1629 175.3412 5 L 4.3055 7.4391 121.9753 51.3841 43.3519 175.9941 6 T 4.3111 8.8197 113.7889 60.3887 72.2825 175.7163 7 L 3.8812 8.2761 120.2713 58.0608 41.6424 179.3434 8 A 4.0736 7.7628 118.4420 55.1630 18.7831 179.2161 9 Q 3.6488 7.5065 116.5331 59.1468 28.6506 180.1375 10 T 3.9623 7.7018 113.5410 64.3885 68.0167 176.3395 *12 S 4.4142 7.9565 118.5684 58.7376 65.0003 175.4562 13 L 4.0027 7.8269 119.5575 57.9424 41.3583 180.7887 14 R 4.2284 7.6955 115.4424 56.4739 29.3388 178.0798 *16 V 4.0284 7.9374 118.7314 63.1611 33.2552 178.2054 17 C 4.4255 8.0238 122.4883 59.0102 30.1523 174.6783 *19 T 4.2886 7.8461 107.9094 60.5942 70.4763 172.7873 20 N 4.9038 8.1339 121.6515 51.8074 41.0816 174.5928 21 M 3.9619 8.8299 125.6340 58.4387 32.3634 177.7750 22 A 4.0563 7.8174 120.2505 54.9826 19.1509 178.1508 23 C 3.4351 7.8964 116.4074 62.3681 31.2875 175.3247 24 D 4.4608 8.1598 115.6758 55.7859 40.7856 177.1286 *26 M 4.4161 8.0847 118.8683 55.3044 34.1538 177.3037 27 A 4.2434 8.2851 121.7104 55.2976 18.7650 179.3339 28 D 4.3381 7.7733 113.9032 57.1983 41.1232 177.8050 29 A 4.2529 7.9408 120.9326 54.2405 18.8007 177.7342 30 Q 4.4547 8.7768 110.9740 54.9213 30.9316 176.6236 31 G 4.0976 8.2714 104.2105 45.5032 0.0000 174.6967 32 I 3.7833 8.2600 119.1307 63.7099 37.9940 178.5091 33 V 3.6216 7.8298 118.5313 66.0640 31.5163 177.7443 34 A 4.0663 8.0802 119.7970 55.0123 18.4072 179.3030 35 A 4.1143 8.1720 119.3382 55.5530 18.5606 179.1459 36 Y 4.2284 8.6262 118.5079 61.2180 38.9907 178.4406 37 Q 4.9349 8.7381 120.0385 58.5556 28.5672 178.6834 38 A 3.8593 8.0049 121.0819 54.5623 18.4683 178.8597 39 F 4.1501 7.9288 113.9923 57.9983 39.8834 176.2776 40 Y 4.3187 8.3441 112.9368 56.7450 39.6971 175.7101 41 G 3.8563 7.8353 106.8955 43.4101 0.0000 170.8963 42 P 4.5613 0.0000 0.0000 62.4300 31.9446 176.7370 43 I 3.6875 8.4288 123.1541 61.3003 37.4647 174.4491 44 P 4.3753 0.0000 0.0000 63.3517 31.9135 176.0495 45 F 4.6513 7.5804 123.3843 58.9111 39.4427 175.2524 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 4 E 8.44 4.32 0.00 2.11 2.04 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 2.19 2.35 0.00 5 L 7.44 4.31 0.00 1.71 1.55 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.82 4.31 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 1.11 0.00 0.00 7 L 8.28 3.88 0.00 1.59 1.74 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.76 4.07 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 7.51 3.65 0.00 1.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 10 T 7.70 3.96 4.34 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 1.21 0.00 0.00 *12 S 7.96 4.41 0.00 4.17 4.05 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 13 L 7.83 4.00 0.00 1.85 1.60 0.83 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.70 4.23 0.00 1.83 1.97 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 1.80 0.00 *16 V 7.94 4.03 2.21 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 -0.03 0.00 0.00 0.97 0.00 0.00 17 C 8.02 4.43 0.00 3.24 3.08 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 *19 T 7.85 4.29 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 20 N 8.13 4.90 0.00 2.78 2.78 0.00 0.00 7.09 7.12 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 21 M 8.83 3.96 0.00 2.01 2.08 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 2.58 2.52 0.00 22 A 7.82 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.44 0.00 2.13 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 24 D 8.16 4.46 0.00 2.80 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 *26 M 8.08 4.42 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 27 A 8.29 4.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.34 0.00 2.73 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 7.94 4.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.45 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 31 G 8.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.78 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.94 0.00 0.00 33 V 7.83 3.62 2.13 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 1.05 0.00 0.00 0.97 0.00 0.00 34 A 8.08 4.07 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 35 A 8.17 4.11 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.63 4.23 0.00 3.23 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 37 Q 8.74 4.93 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 38 A 8.00 3.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.15 0.00 2.76 2.33 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 40 Y 8.34 4.32 0.00 1.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.86 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 0.00 0.00 0.00 42 P 0.00 4.56 0.00 2.08 2.03 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 43 I 8.43 3.69 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.87 0.00 0.00 44 P 0.00 4.38 0.00 1.84 1.93 0.00 2.83 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.56 0.00 45 F 7.58 4.65 0.00 3.04 2.82 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.