NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8258 8.2133 109.7192 45.2384 0.0000 175.7481 3 K 3.5782 8.6250 124.7301 56.9589 32.2217 175.2211 4 G 3.5161 9.0112 109.5367 46.7550 0.0000 173.1537 5 D 4.2569 7.7805 121.8079 53.8795 41.2146 176.2931 6 R 3.9318 8.8604 126.9346 59.7060 30.1169 181.4374 7 R 3.6446 7.5685 115.9346 55.3129 29.0680 175.9836 8 T 4.5757 8.3116 109.2863 59.6170 71.2528 172.8070 9 R 4.0028 7.8893 120.3832 58.8990 29.7765 178.4530 10 R 4.2252 8.0725 118.4286 59.3237 30.3173 179.0913 11 G 4.0148 8.0942 106.9977 46.5667 0.0000 174.9431 12 K 4.3913 8.3755 120.9832 57.6293 32.7686 178.4890 13 I 3.6582 7.5970 119.2771 63.8416 36.8045 177.7438 14 W 4.1243 8.6152 129.6142 60.5456 30.5141 178.0471 15 R 4.1138 7.7815 116.2724 57.5310 29.3813 176.8011 16 G 3.8265 7.6086 104.9074 46.4549 0.0000 172.6903 17 T 4.8907 7.7957 108.7610 59.6030 71.7391 171.7478 18 Y 4.8947 8.7501 117.8287 55.8093 42.5069 175.8650 19 G 4.1016 8.4569 106.3965 46.3370 0.0000 173.4481 20 K 3.8286 9.1029 120.1984 59.7236 32.2255 178.1279 21 Y 4.4988 8.1134 113.1907 57.4465 38.0884 176.1515 22 R 4.5401 7.6296 117.1517 55.5265 32.2362 172.3238 23 P 4.8853 0.0000 0.0000 62.1654 32.4167 176.1620 24 R 4.5453 8.5201 116.7038 56.0698 30.1677 177.2449 25 K 3.8972 8.0401 119.8464 56.2857 31.6880 176.8663 *26 K 4.1330 8.2189 119.7672 54.7829 32.3269 172.4066 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 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 3.58 0.00 1.18 0.99 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.35 7.81 4 G 9.01 3.52 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 0.00 0.00 0.00 5 D 7.78 4.26 0.00 2.68 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 8.86 3.93 0.00 1.82 1.95 0.00 3.15 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 7 R 7.57 3.64 0.00 1.66 1.15 0.00 3.00 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 8 T 8.31 4.58 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 1.24 0.00 0.00 9 R 7.89 4.00 0.00 1.96 1.83 0.00 3.23 0.00 0.00 3.32 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 10 R 8.07 4.23 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 11 G 8.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.39 0.00 1.98 1.72 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.56 7.81 13 I 7.60 3.66 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.92 0.00 0.00 14 W 8.62 4.12 0.00 3.48 3.21 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 0.00 0.00 0.00 0.00 15 R 7.78 4.11 0.00 2.30 2.05 0.00 3.65 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 16 G 7.61 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.89 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 1.27 0.00 0.00 18 Y 8.75 4.89 0.00 2.84 3.03 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 19 G 8.46 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 20 K 9.10 3.83 0.00 1.78 2.08 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.79 1.30 7.81 21 Y 8.11 4.50 0.00 2.92 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 22 R 7.63 4.54 0.00 1.79 1.70 0.00 2.80 0.00 0.00 2.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 23 P 0.00 4.89 0.00 2.13 2.01 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 24 R 8.52 4.55 0.00 1.74 1.78 0.00 2.99 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 25 K 8.04 3.90 0.00 1.88 2.06 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81 *26 K 8.22 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 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.