NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4227 8.0276 122.7534 54.9435 43.7763 175.2730 10 L 4.9117 8.4428 125.5422 54.2892 42.5329 173.7160 11 L 5.0557 8.4920 120.1356 53.5140 47.3563 175.5817 12 E 4.9577 8.5767 117.1077 55.6902 33.4234 174.1444 13 C 5.7473 8.6826 115.4598 57.2841 32.1611 173.1647 14 T 4.7899 8.3948 117.9626 58.9990 69.3184 173.3111 15 E 3.9085 7.8076 129.8617 56.7222 30.7917 175.8725 16 C 4.4982 8.4587 119.1616 59.5669 28.8818 174.0796 17 K 4.0725 9.9163 124.9027 56.7325 28.9704 177.0810 18 R 4.4738 7.2486 115.1746 56.7631 34.0681 172.1984 19 R 3.7334 8.7746 117.3277 57.2757 28.0666 178.5240 20 N 3.6406 8.8691 116.2254 53.7187 41.6055 170.3164 21 Y 5.5304 8.3783 118.9942 59.0595 42.2921 173.6226 22 A 4.5771 8.7269 120.3502 51.6383 24.8043 173.5480 23 T 4.1340 8.1293 111.7632 60.8147 70.9128 170.8530 24 E 4.4465 7.9795 125.6576 55.5762 35.1746 175.2174 25 K 5.2118 8.3424 125.6623 57.7199 34.1111 175.9355 26 N 4.5494 8.8417 122.8462 52.9553 39.6198 174.9738 27 K 4.5248 8.0388 116.2261 55.5031 34.4242 178.9576 28 R 3.6632 8.6494 119.3217 56.8665 29.1883 176.4844 29 N 3.7822 8.9586 109.4324 56.4457 39.8304 174.5221 30 T 3.5396 8.3602 110.5106 62.6215 69.1195 173.6481 31 P 4.0119 0.0000 0.0000 62.5842 27.7374 174.1084 32 N 4.8452 7.9324 118.7948 51.7644 41.9168 172.1264 33 K 3.8918 9.6865 122.0077 57.1494 34.0041 175.3203 34 L 3.7909 8.4153 126.2806 54.8586 36.8869 174.8033 35 E 4.4158 8.5687 120.7586 55.5184 31.0651 176.3884 36 L 5.6599 8.2059 127.2990 54.3550 43.0712 175.4181 37 R 4.7858 8.3689 120.6660 54.1254 34.7635 174.4375 38 K 4.7777 8.6304 122.0082 55.7501 33.0581 174.9676 39 Y 5.0145 9.3213 128.0620 56.2818 43.0114 172.7906 40 C 4.6780 7.6290 124.0115 57.4056 32.4840 171.0463 41 P 4.7999 0.0000 0.0000 60.5203 33.4149 175.9169 42 W 5.0728 9.0581 130.3723 60.9002 30.8087 176.5767 43 C 4.4490 7.3220 117.7259 57.5628 27.5283 173.7269 44 R 4.0596 9.4405 127.6037 55.2250 27.5478 178.8073 45 K 4.2998 8.4377 105.5845 55.6240 35.7518 174.2135 46 H 4.6019 8.7703 118.6129 55.9561 29.7505 173.4033 47 T 4.5682 8.4142 113.8038 63.2284 72.1876 174.3446 48 V 3.9763 8.3729 112.6792 61.5189 33.1937 173.5744 49 H 4.4634 7.8278 118.4020 55.0892 27.6013 174.2773 50 R 5.1656 8.2980 122.1956 53.2440 33.1587 175.4620 51 E 4.5335 8.1406 118.6153 56.8231 30.4545 175.7177 52 V 3.6918 8.6766 118.6829 62.8197 32.2854 172.0707 *53 K 4.1330 8.5201 125.9434 54.9060 32.2491 174.6134 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 9 L 8.03 4.42 0.00 1.71 1.59 0.91 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.91 0.00 1.74 1.72 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.49 5.06 0.00 1.51 1.55 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.58 4.96 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 13 C 8.68 5.75 0.00 2.75 2.83 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 14 T 8.39 4.79 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 1.18 0.00 0.00 15 E 7.81 3.91 0.00 1.89 1.83 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 2.28 2.27 0.00 16 C 8.46 4.50 0.00 2.94 2.83 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 17 K 9.92 4.07 0.00 1.88 2.06 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.25 4.47 0.00 1.83 1.74 0.00 3.25 0.00 0.00 3.26 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 19 R 8.77 3.73 0.00 2.03 1.63 0.00 2.98 0.00 0.00 3.32 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 20 N 8.87 3.64 0.00 2.87 3.17 0.00 0.00 6.73 7.56 0.00 0.00 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 Y 8.38 5.53 0.00 3.00 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 22 A 8.73 4.58 0.69 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 0.00 0.00 23 T 8.13 4.13 4.29 0.00 0.00 0.00 0.00 0.00 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 24 E 7.98 4.45 0.00 1.81 1.72 0.00 0.00 0.00 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 2.15 0.00 25 K 8.34 5.21 0.00 1.69 1.82 0.00 1.17 0.00 0.00 2.34 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.28 7.81 26 N 8.84 4.55 0.00 2.62 2.91 0.00 0.00 6.95 7.61 0.00 0.00 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 8.04 4.52 0.00 1.68 1.74 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.37 7.81 28 R 8.65 3.66 0.00 1.90 1.73 0.00 3.27 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 29 N 8.96 3.78 0.00 2.74 2.73 0.00 0.00 6.83 7.54 0.00 0.00 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 T 8.36 3.54 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 1.21 0.00 0.00 31 P 0.00 4.01 0.00 2.10 2.14 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 7.93 4.85 0.00 2.60 2.88 0.00 0.00 7.28 6.68 0.00 0.00 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 K 9.69 3.89 0.00 1.88 1.93 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.23 1.14 7.81 34 L 8.42 3.79 0.00 1.76 1.96 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.57 4.42 0.00 2.25 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 36 L 8.21 5.66 0.00 1.78 1.60 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.37 4.79 0.00 1.72 1.85 0.00 3.21 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 38 K 8.63 4.78 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.65 7.81 39 Y 9.32 5.01 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.63 4.68 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.32 2.17 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 42 W 9.06 5.07 0.00 3.17 3.11 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 0.00 0.00 0.00 43 C 7.32 4.45 0.00 3.63 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.44 4.06 0.00 1.86 1.54 0.00 3.28 0.00 0.00 3.19 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 45 K 8.44 4.30 0.00 1.74 1.68 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.29 7.81 46 H 8.77 4.60 0.00 3.27 3.47 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.41 4.57 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 V 8.37 3.98 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 0.87 0.00 0.00 0.92 0.00 0.00 49 H 7.83 4.46 0.00 3.64 3.32 0.00 6.06 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.30 5.17 0.00 1.84 1.88 0.00 3.57 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 51 E 8.14 4.53 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 2.29 2.25 0.00 52 V 8.68 3.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 *53 K 8.52 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.10 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.