NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8983 8.2133 109.7236 45.0031 0.0000 176.6169 3 K 4.0447 8.5631 122.0955 55.6575 30.9780 175.9731 4 G 3.9868 9.1409 105.7630 46.1155 0.0000 174.6836 5 D 4.5842 7.7610 121.0109 53.3532 38.5268 176.5847 6 R 3.6091 7.8062 120.5982 58.3361 30.7594 177.4924 7 R 3.4353 7.5834 115.0498 55.7816 30.3404 175.5155 8 T 4.5198 7.8628 109.3754 59.1705 70.7392 173.5300 9 R 3.8715 8.0013 121.5074 57.9963 30.0011 178.7530 10 R 3.5262 7.4082 112.5879 58.7713 31.8621 179.3034 11 G 4.0037 8.5365 104.6578 47.7725 0.0000 175.1310 12 K 3.8715 8.2354 122.9598 59.4805 32.1085 178.2003 13 I 3.5857 8.0535 119.9887 64.5232 36.8546 177.5845 14 W 4.1375 8.2276 127.4875 61.1582 30.5560 177.4959 15 R 4.1365 8.0447 117.4656 57.4318 30.6465 176.5006 16 G 3.7040 8.7703 105.8359 44.4339 0.0000 172.7507 17 T 3.9791 6.8024 105.2961 61.6852 72.0272 172.9394 18 Y 4.7768 8.6734 121.2543 57.4983 40.7655 176.4628 19 G 4.0040 8.4365 115.2636 45.9873 0.0000 174.9024 20 K 4.0994 9.0859 124.5506 58.8941 32.3281 177.3502 21 Y 4.3234 8.1864 112.5236 58.3567 37.9198 176.3119 22 R 4.6048 7.6829 121.7366 54.7136 31.3126 171.6200 23 P 4.5766 0.0000 0.0000 62.1773 32.3062 177.8077 24 R 3.3066 8.1699 123.7258 55.8567 28.3154 176.2652 25 K 3.3300 7.5356 123.8081 56.6883 32.8742 175.3387 *26 K 4.1330 8.4072 118.1638 54.9687 32.3269 171.3340 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 2 G 8.21 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 3 K 8.56 4.04 0.00 1.58 1.51 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.46 7.81 4 G 9.14 3.99 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 0.00 0.00 0.00 5 D 7.76 4.58 0.00 2.88 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 6 R 7.81 3.61 0.00 1.76 1.99 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 7 R 7.58 3.44 0.00 1.40 0.88 0.00 3.03 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 8 T 7.86 4.52 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 1.18 0.00 0.00 9 R 8.00 3.87 0.00 1.96 1.86 0.00 3.31 0.00 0.00 3.39 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 10 R 7.41 3.53 0.00 1.93 1.86 0.00 3.22 0.00 0.00 3.35 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 11 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.24 3.87 0.00 2.28 1.82 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.83 7.81 13 I 8.05 3.59 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.87 0.00 0.00 14 W 8.23 4.14 0.00 3.24 3.38 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 15 R 8.04 4.14 0.00 2.03 2.18 0.00 3.40 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 16 G 8.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.80 3.98 4.30 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 1.24 0.00 0.00 18 Y 8.67 4.78 0.00 2.84 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 19 G 8.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 4.10 0.00 1.78 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.94 1.27 7.81 21 Y 8.19 4.32 0.00 3.02 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 22 R 7.68 4.60 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 23 P 0.00 4.58 0.00 2.07 1.94 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 24 R 8.17 3.31 0.00 1.54 1.61 0.00 3.28 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 25 K 7.54 3.33 0.00 1.74 1.66 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 *26 K 8.41 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.