NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 R 4.3477 8.1127 119.0729 56.2153 31.9217 175.5625 2 M 3.8905 8.4199 118.8712 57.9278 32.2954 176.7033 3 K 3.9337 8.8959 120.5349 59.6273 32.7067 178.0306 4 Q 3.9850 7.9592 117.9440 58.8986 28.5758 178.6735 5 I 3.7025 7.7706 120.8185 64.2915 37.1695 178.0100 6 E 3.9057 8.2368 120.1239 59.5749 29.4805 178.7097 7 D 4.3950 8.3937 118.9989 56.9830 40.7602 178.7071 8 K 3.9564 8.1011 120.4526 59.3113 32.1130 178.9031 9 L 3.9298 8.1310 119.5104 57.7739 41.5721 178.9604 10 E 3.8624 8.0772 119.2005 59.2155 29.5098 178.4950 11 E 3.8770 8.1554 119.1056 59.4421 29.6998 178.8087 12 I 3.6455 8.0302 120.1605 64.3331 37.0620 178.3406 13 L 3.5870 8.0042 120.2155 57.6925 41.4029 179.7403 14 S 3.9549 7.8996 114.0356 61.3689 62.7994 176.7881 15 K 4.0486 8.0743 122.0374 59.1721 31.7156 179.3837 16 L 3.9924 7.9738 119.5006 57.9898 41.5166 179.1464 17 Y 4.3557 7.8889 117.0529 61.3320 37.7226 178.3322 18 H 4.2055 8.2084 117.2283 58.9778 28.7601 177.8775 19 I 3.7335 7.7551 121.4728 64.6047 36.9680 178.2022 20 C 4.1306 8.4701 117.8963 63.0323 27.9558 176.0407 21 N 4.3635 8.3472 117.9591 56.3015 38.1490 177.1715 22 E 3.9657 8.4666 120.8519 59.2105 29.6884 178.7977 23 L 4.0151 8.3400 119.2339 57.6571 41.6230 179.3857 24 A 3.9861 8.1665 120.8048 55.1038 18.2810 179.5443 25 R 3.8416 8.1589 117.2838 59.5988 30.0088 178.8306 26 I 3.6732 7.8508 119.4624 64.3542 37.1865 178.2657 27 K 3.8784 8.3998 120.8544 59.2445 31.7055 178.5801 28 K 3.8799 7.9722 119.0107 59.5256 32.5988 178.2890 29 L 4.1415 8.0363 119.1764 58.0551 41.4541 179.7258 30 L 4.1361 8.3096 119.1275 57.7027 41.3145 179.8345 31 G 3.6273 7.9500 104.6852 47.1729 0.0000 174.7672 32 E 4.2516 7.6930 118.4365 56.1245 29.9097 176.6093 33 R 4.2089 7.4063 123.0792 56.3257 31.5252 174.7471 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 R 8.11 4.35 0.00 1.71 1.86 0.00 3.15 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 2 M 8.42 3.89 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 3 K 8.90 3.93 0.00 1.95 1.80 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.11 7.81 4 Q 7.96 3.99 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.02 0.00 5 I 7.77 3.70 2.02 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 1.40 0.82 0.90 0.00 0.00 6 E 8.24 3.91 0.00 2.04 2.15 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 2.31 2.36 0.00 7 D 8.39 4.40 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.10 3.96 0.00 1.98 1.96 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 9 L 8.13 3.93 0.00 1.85 1.68 0.91 0.97 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 10 E 8.08 3.86 0.00 2.02 2.09 0.00 0.00 0.00 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 2.48 0.00 11 E 8.16 3.88 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 12 I 8.03 3.65 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.85 0.00 0.00 13 L 8.00 3.59 0.00 1.62 1.15 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.90 3.95 0.00 4.08 4.18 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 0.00 0.00 0.00 0.00 15 K 8.07 4.05 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.60 7.81 16 L 7.97 3.99 0.00 1.62 1.67 0.85 1.08 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 17 Y 7.89 4.36 0.00 3.03 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 18 H 8.21 4.21 0.00 3.38 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.76 3.73 2.03 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 1.54 0.82 0.93 0.00 0.00 20 C 8.47 4.13 0.00 3.20 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 21 N 8.35 4.36 0.00 2.95 2.89 0.00 0.00 6.69 7.22 0.00 0.00 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 E 8.47 3.97 0.00 2.19 2.06 0.00 0.00 0.00 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 2.40 0.00 23 L 8.34 4.02 0.00 1.87 1.71 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.17 3.99 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 25 R 8.16 3.84 0.00 1.90 2.15 0.00 3.11 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 I 7.85 3.67 2.00 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 1.41 0.64 0.91 0.00 0.00 27 K 8.40 3.88 0.00 1.87 1.96 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 7.97 3.88 0.00 1.79 2.01 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.49 7.81 29 L 8.04 4.14 0.00 1.88 1.71 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.31 4.14 0.00 1.81 1.72 0.92 1.22 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 31 G 7.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.25 0.00 2.18 2.01 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 2.31 2.51 0.00 33 R 7.41 4.21 0.00 1.84 2.15 0.00 3.36 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.