NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3804 8.4449 116.7535 55.7328 31.9127 175.7924 10 E 4.1908 8.3064 120.5392 55.4725 29.2566 174.8027 11 E 4.4129 8.0010 119.2819 55.3344 32.7927 174.1501 12 E 4.4928 8.3953 124.2837 53.5236 32.0740 175.0778 13 L 4.0352 8.6141 127.9322 55.2422 41.8430 175.7933 14 V 4.3021 8.0393 125.7027 60.7459 34.1183 174.4632 15 D 4.5787 8.5583 126.6235 52.7151 41.0798 174.7424 16 P 4.3105 0.0000 0.0000 65.8277 30.7694 177.9806 17 L 3.9552 8.0505 120.1103 58.4658 41.9586 178.9454 18 T 3.9305 7.9393 109.7081 65.1270 68.5047 176.3483 19 T 3.9002 7.8399 117.9244 66.6909 68.6759 176.6148 20 I 3.8434 8.0312 121.4960 64.2631 37.0356 178.8855 21 R 3.9504 8.0992 119.3099 59.1138 29.6546 178.7957 22 E 4.1614 7.6023 118.6804 59.3547 29.3400 178.3833 23 H 4.2532 8.2322 118.1563 59.8130 29.5837 176.5422 24 C 4.3180 8.0922 117.2751 59.6847 38.6378 175.4667 25 E 4.0569 8.4246 119.5854 57.9701 29.1424 177.3936 26 Q 4.4361 7.5526 117.7897 55.4912 30.2938 175.3534 27 T 4.6470 7.1192 115.2905 61.2456 72.1522 174.9558 28 E 3.8939 9.0328 125.6445 59.8309 29.4649 179.6544 29 K 3.9706 8.0344 117.5058 59.6577 31.8626 179.0751 30 C 4.2676 8.0018 116.3698 62.9307 28.3273 175.7616 31 V 3.6949 8.3056 120.2036 66.2142 30.9470 178.3037 32 K 3.9151 8.1365 117.5173 59.5613 31.9062 179.2135 33 A 4.0870 8.0272 121.0219 55.3228 18.3724 179.6827 34 R 3.4809 9.2423 118.2274 59.1114 29.9173 178.4680 35 E 3.8584 8.0055 119.2800 59.4524 29.6907 179.1456 36 R 3.9631 8.0469 117.8649 58.6353 29.9052 178.9691 37 L 3.8771 7.5952 120.6745 58.3441 42.1364 178.8952 38 E 3.9102 7.9877 118.1500 59.2400 29.3636 179.4723 39 L 3.9593 7.6993 119.4304 57.6445 41.6218 178.5944 40 C 4.1736 8.0053 118.1130 59.6711 39.3959 174.6720 41 D 4.2829 8.2545 119.7638 57.6972 40.7833 177.9789 42 A 3.9515 8.1343 121.0620 55.7726 18.0878 179.8861 43 R 4.0207 7.7263 114.1865 58.7124 29.7938 178.7774 44 V 3.7080 8.2528 119.4362 65.8898 31.2793 178.2660 45 S 4.2952 8.4971 114.6601 61.0953 62.6943 175.5897 46 S 4.6476 7.8872 115.6854 57.5941 63.5276 173.4986 47 R 4.6488 7.1531 118.7081 55.4308 33.1167 175.6182 48 S 4.6189 8.6696 116.3449 59.1291 63.4564 174.2295 49 H 4.9391 7.8262 117.1988 55.8846 31.2254 172.1078 50 T 4.2174 7.8569 113.0149 61.3225 67.5166 174.4648 51 E 4.1168 8.6729 127.9690 57.6027 29.9522 176.7843 52 E 4.0912 7.3568 119.2544 56.6648 30.1357 175.3312 53 Q 4.6131 8.0899 119.9836 55.1632 33.0802 175.2279 54 C 5.4977 8.2638 113.0271 56.4207 39.5153 176.7233 55 T 3.4705 7.9320 118.0567 66.6588 67.8253 175.2580 56 E 3.8451 7.9975 120.4275 59.6747 29.6287 178.7726 57 E 3.9732 8.0483 117.5857 59.3477 29.5593 178.8086 58 L 4.1143 8.2067 120.6899 58.2631 42.0910 179.1254 59 F 4.5371 8.9568 117.9341 61.0424 38.8426 177.1446 60 D 4.5916 8.5871 118.7554 57.5914 40.4932 179.1600 61 F 4.2977 8.4392 120.8400 61.4871 39.4867 177.2840 62 L 3.5804 8.4270 118.9768 57.8245 41.3219 179.2192 63 H 3.9172 8.7323 118.3078 59.2370 29.7524 177.2933 64 A 3.9670 7.6957 122.7331 54.9722 18.2029 179.4783 65 R 3.6113 7.7918 117.4216 59.6885 30.1683 178.4402 66 D 4.2702 8.1013 118.8206 57.5708 40.5991 178.2003 67 H 3.9562 7.9840 117.6711 59.4645 29.9341 176.0855 68 C 4.3856 7.9624 120.0297 59.6593 38.5786 175.6083 69 V 3.5086 7.7548 119.5909 66.0649 29.9755 177.6616 70 A 3.8510 8.0446 120.3550 55.6615 17.8716 179.3592 71 H 4.1876 7.9569 113.7691 57.9522 28.9883 177.0753 72 K 4.4431 7.3540 116.3285 57.1570 33.8650 177.7369 73 L 3.9807 8.4610 120.9596 58.7039 42.1781 179.1308 74 F 4.5264 8.3102 115.8453 59.6714 38.6043 177.0541 75 N 4.5530 8.1915 116.4890 55.7575 38.5020 176.0021 76 K 4.2476 8.0301 117.1574 56.8286 32.6962 176.5755 77 L 4.5873 7.1738 117.7907 53.0961 43.6759 176.7166 78 K 4.1371 8.2627 118.1677 56.7143 32.2225 176.8376 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 E 8.44 4.38 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 E 8.31 4.19 0.00 2.03 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 2.31 2.39 0.00 11 E 8.00 4.41 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 12 E 8.40 4.49 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 13 L 8.61 4.04 0.00 1.62 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.04 4.30 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 0.88 0.00 0.00 0.97 0.00 0.00 15 D 8.56 4.58 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 16 P 0.00 4.31 0.00 2.32 2.34 0.00 3.76 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 2.10 2.06 0.00 17 L 8.05 3.96 0.00 1.85 1.95 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.94 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 T 7.84 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 20 I 8.03 3.84 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 0.95 0.00 0.00 21 R 8.10 3.95 0.00 2.08 2.02 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 22 E 7.60 4.16 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 23 H 8.23 4.25 0.00 3.28 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.09 4.32 0.00 3.21 3.09 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 0.00 0.00 0.00 25 E 8.42 4.06 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 26 Q 7.55 4.44 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 27 T 7.12 4.65 4.38 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 1.24 0.00 0.00 28 E 9.03 3.89 0.00 2.03 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 2.39 2.44 0.00 29 K 8.03 3.97 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 C 8.00 4.27 0.00 3.31 3.32 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 31 V 8.31 3.69 2.24 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 1.04 0.00 0.00 1.04 0.00 0.00 32 K 8.14 3.92 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.81 7.81 33 A 8.03 4.09 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.24 3.48 0.00 1.26 2.21 0.00 3.17 0.00 0.00 2.76 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 35 E 8.01 3.86 0.00 2.29 2.16 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 2.29 2.33 0.00 36 R 8.05 3.96 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 37 L 7.60 3.88 0.00 1.78 1.77 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.99 3.91 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 39 L 7.70 3.96 0.00 1.75 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.01 4.17 0.00 2.95 3.24 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 0.00 41 D 8.25 4.28 0.00 2.77 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 42 A 8.13 3.95 1.38 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 0.00 0.00 43 R 7.73 4.02 0.00 2.01 2.06 0.00 3.06 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.47 0.00 44 V 8.25 3.71 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 1.05 0.00 0.00 0.96 0.00 0.00 45 S 8.50 4.30 0.00 3.98 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 46 S 7.89 4.65 0.00 4.08 4.11 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 47 R 7.15 4.65 0.00 1.81 1.82 0.00 3.14 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 48 S 8.67 4.62 0.00 3.85 3.88 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 0.00 0.00 0.00 0.00 49 H 7.83 4.94 0.00 2.97 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.86 4.22 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 E 8.67 4.12 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 52 E 7.36 4.09 0.00 1.93 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 2.30 2.27 0.00 53 Q 8.09 4.61 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.22 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 54 C 8.26 5.50 0.00 2.90 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 55 T 7.93 3.47 3.91 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 0.00 0.00 0.11 0.00 0.00 56 E 8.00 3.85 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 57 E 8.05 3.97 0.00 2.22 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 2.39 2.43 0.00 58 L 8.21 4.11 0.00 1.80 1.90 1.14 1.12 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 59 F 8.96 4.54 0.00 3.31 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 60 D 8.59 4.59 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.44 4.30 0.00 3.17 3.34 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 0.00 62 L 8.43 3.58 0.00 1.87 1.66 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.73 3.92 0.00 3.23 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.70 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.79 3.61 0.00 0.99 1.37 0.00 3.10 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 66 D 8.10 4.27 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.98 3.96 0.00 3.17 3.28 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.96 4.39 0.00 3.03 3.32 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 69 V 7.75 3.51 2.18 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 0.96 0.00 0.00 0.99 0.00 0.00 70 A 8.04 3.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.96 4.19 0.00 3.26 3.40 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.35 4.44 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.44 7.81 73 L 8.46 3.98 0.00 1.83 1.82 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.31 4.53 0.00 2.95 3.06 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 0.00 0.00 0.00 75 N 8.19 4.55 0.00 2.93 2.90 0.00 0.00 6.95 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.03 4.25 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 77 L 7.17 4.59 0.00 1.55 1.43 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.26 4.14 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.