NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6822 8.3493 120.5335 54.4115 42.9968 175.2957 2 L 4.4195 7.1459 115.8417 54.3587 40.9820 172.1384 3 S 4.5895 8.3856 109.6025 59.9816 65.2824 176.8999 *5 H 4.3621 8.2530 115.7858 55.3768 30.6440 173.0728 *7 L 4.1889 7.5379 113.3380 55.9580 41.9114 177.6815 8 R 4.3470 7.8714 118.0808 58.7651 31.7246 178.2661 9 K 4.2811 7.6541 117.4127 56.7481 33.5261 177.5797 *11 I 4.1100 7.6830 121.7335 60.1009 38.8487 182.0385 12 E 3.3000 9.7986 129.5639 57.4520 29.7577 176.6250 13 I 3.5034 8.2474 127.0341 65.3583 38.0137 176.3597 14 E 3.8898 8.6712 118.6603 59.8325 29.3405 180.1650 15 K 3.9099 7.8132 116.2605 59.5439 32.3947 178.6485 16 Q 4.1273 8.9098 117.7380 59.3159 28.8103 179.1755 17 E 4.0595 8.5840 118.6456 60.9461 30.3453 178.0217 18 K 4.3234 8.4662 123.1920 57.2656 34.0292 174.2735 19 E 3.9185 8.3927 119.7933 57.7022 28.6954 176.5153 20 K 3.8897 7.7398 118.8264 60.5528 33.3007 178.2790 21 Q 4.0597 8.1653 116.4736 59.1325 28.9003 177.2749 22 Q 3.9878 7.2218 114.3049 56.6662 28.9298 174.5089 23 A 3.8952 8.2714 122.5619 53.6885 17.0091 179.3294 24 E 4.1514 7.9457 115.9915 57.8466 30.1416 177.4196 25 N 5.0926 7.5852 113.8268 53.2097 39.7365 175.0749 26 N 4.8448 8.2228 118.1057 54.4629 40.3443 176.5574 27 K 3.7549 8.1667 119.5601 60.1810 31.9395 178.8515 28 L 4.0188 7.8067 119.3237 57.4858 41.6993 178.6998 29 L 4.1783 8.4017 119.4764 58.5644 40.6599 179.0325 30 L 4.1371 7.7581 118.5013 57.1420 41.6581 178.0412 31 D 4.3591 7.3148 115.2369 55.9685 41.0159 175.9692 *33 I 3.9381 7.6080 123.9774 62.3047 37.5950 175.2436 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 1 D 8.35 4.68 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.15 4.42 0.00 1.75 1.67 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.39 4.59 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.36 0.00 3.19 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 L 7.54 4.19 0.00 1.79 1.78 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.87 4.35 0.00 1.68 1.93 0.00 3.34 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 9 K 7.65 4.28 0.00 1.67 1.75 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.39 7.81 *11 I 7.68 4.11 1.86 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 1.41 0.47 0.90 0.00 0.00 12 E 9.80 3.30 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 13 I 8.25 3.50 1.86 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 1.63 1.08 0.91 0.00 0.00 14 E 8.67 3.89 0.00 2.15 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 2.34 2.39 0.00 15 K 7.81 3.91 0.00 1.78 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.77 7.81 16 Q 8.91 4.13 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 17 E 8.58 4.06 0.00 2.05 1.97 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 2.32 2.49 0.00 18 K 8.47 4.32 0.00 1.77 1.85 0.00 2.08 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.68 7.81 19 E 8.39 3.92 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 20 K 7.74 3.89 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 21 Q 8.17 4.06 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 22 Q 7.22 3.99 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 23 A 8.27 3.90 1.37 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 0.00 0.00 0.00 24 E 7.95 4.15 0.00 1.92 1.99 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 2.29 2.39 0.00 25 N 7.59 5.09 0.00 3.05 2.75 0.00 0.00 6.95 7.88 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 26 N 8.22 4.84 0.00 2.95 2.80 0.00 0.00 6.76 7.04 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 27 K 8.17 3.75 0.00 1.94 2.10 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.50 7.81 28 L 7.81 4.02 0.00 1.62 1.77 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.40 4.18 0.00 1.74 1.79 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.76 4.14 0.00 1.74 1.78 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.31 4.36 0.00 2.63 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 *33 I 7.61 3.94 1.99 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 1.39 0.93 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.