NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3257 8.4449 116.7535 55.7421 32.2632 176.7004 10 E 4.2333 8.3039 121.3832 54.1592 28.1369 173.9403 11 E 4.5535 7.5592 116.3207 55.6203 34.6189 174.8861 12 E 4.5099 8.4922 124.2761 53.9482 32.6783 174.8088 13 L 4.1518 8.5424 127.6805 54.7205 41.3213 175.5605 14 V 4.3018 7.9888 125.3951 60.6791 33.9756 174.5178 15 D 4.6198 8.5149 126.5807 52.5909 41.3521 174.8304 16 P 4.2973 0.0000 0.0000 65.9079 30.8038 177.9381 17 L 3.9546 8.1308 120.2955 58.4966 41.9249 179.0826 18 T 3.9307 7.8589 109.4211 65.0147 68.6215 176.5071 19 T 3.8452 7.8152 117.9437 66.7169 68.6810 176.7003 20 I 3.8681 8.1867 121.7461 64.0967 37.0321 178.8444 21 R 3.9591 8.1495 119.4696 59.0572 29.6373 178.7698 22 E 4.0854 7.8006 117.2315 59.8576 29.3967 178.2630 23 H 4.2256 8.1359 117.9738 59.9279 29.5692 176.4824 24 C 4.3301 8.0720 117.0605 59.6926 40.1925 175.4720 25 E 4.0072 8.1754 118.7320 57.8827 29.6337 177.7635 26 Q 4.6302 7.5273 118.0483 55.3648 29.5576 175.3949 27 T 4.6424 7.0445 115.5684 61.1895 72.3140 175.0961 28 E 3.9244 9.0088 125.4880 59.8073 29.3361 179.6814 29 K 3.9971 7.9736 117.5799 59.6182 32.0352 179.0846 30 C 4.2426 7.9786 116.4787 62.8456 28.3680 175.7687 31 V 3.5668 8.2769 120.2672 66.3019 31.0427 178.3122 32 K 4.0064 8.1407 117.5600 59.4030 31.8311 179.3023 33 A 4.0846 7.8681 121.0007 55.1767 18.3428 179.6840 34 R 3.5197 9.1641 118.5331 59.2250 29.9560 178.4650 35 E 3.8976 7.9461 118.8371 59.3785 29.8471 179.0507 36 R 4.0234 7.9671 117.5724 58.4553 29.9586 178.9358 37 L 3.8878 7.6442 120.5311 58.2863 42.1625 178.6134 38 E 3.9081 8.0868 118.4648 59.4296 29.3399 179.5832 39 L 3.9479 7.7270 118.7573 57.7553 41.6930 178.5878 40 C 4.1925 7.9807 117.9621 59.6566 38.8871 174.7736 41 D 4.2465 8.3334 119.7247 57.7248 40.7957 177.6980 42 A 3.9474 8.0890 120.9385 55.9508 18.0815 179.8750 43 R 4.0598 7.9695 114.7045 58.5416 29.6362 178.8881 44 V 3.7173 8.2660 119.6526 65.9593 31.2965 178.2588 45 S 4.3041 8.5808 114.7128 60.9364 62.6829 175.5144 46 S 4.6482 7.8615 115.9277 57.5545 63.3355 173.5930 47 R 4.6594 7.0951 118.5069 55.3395 33.2944 175.5649 48 S 4.6953 8.6248 115.2811 59.0546 63.6504 174.3600 49 H 4.9214 7.8849 118.6951 56.0481 30.5671 171.9718 50 T 4.3622 7.9184 112.4716 60.0675 67.7934 174.5003 51 E 4.1075 8.6677 128.1017 57.8125 29.8712 177.0008 52 E 4.1291 7.5053 120.3260 56.3337 30.2481 175.6878 53 Q 4.5861 8.1069 121.3232 54.1414 33.0462 175.8563 54 C 5.5394 8.3386 117.0516 56.5907 39.0946 176.0851 55 T 3.4303 7.7037 119.4779 66.8033 67.8907 175.3160 56 E 3.8492 7.9930 120.1920 59.6843 29.6738 178.7521 57 E 3.9950 8.0292 117.7851 59.2295 29.5520 178.9335 58 L 4.1124 8.3155 120.9062 58.1545 42.1658 179.0606 59 F 4.6034 8.9528 118.2915 60.9328 38.9959 177.2898 60 D 4.5559 8.5432 118.6306 57.3013 40.4962 178.8931 61 F 4.2311 8.2307 120.6689 61.4416 39.5523 177.2439 62 L 3.7182 8.4945 119.0774 57.8418 41.3971 179.0343 63 H 3.9004 8.7252 118.2721 59.1349 29.7013 177.0246 64 A 3.9422 7.7895 122.1481 55.2779 18.1619 179.3466 65 R 3.6790 7.8210 117.3060 59.7825 30.1362 178.3371 66 D 4.2496 8.4925 118.8179 57.7362 40.5706 178.5682 67 H 4.0919 8.0089 117.9483 59.0204 29.9382 176.3102 68 C 4.3754 7.8089 120.6685 59.5379 40.5637 175.6002 69 V 3.4770 8.0304 119.9140 65.9608 29.6481 177.7282 70 A 3.8766 7.9179 120.4890 55.5269 17.9141 179.3227 71 H 4.1916 7.9222 113.8434 58.0616 28.8758 177.1266 72 K 4.4966 7.5105 116.4475 56.4186 33.9464 177.9553 73 L 4.0336 8.2805 121.3988 58.5441 41.8099 179.1665 74 F 4.5594 8.2525 116.2681 60.0636 38.5755 177.1565 75 N 4.4725 7.9402 116.2556 55.5376 38.2961 175.7286 76 K 4.5278 7.8070 117.6714 55.9418 32.2862 176.0397 77 L 4.8535 7.3680 117.9654 52.7623 45.1374 176.9146 78 K 4.1237 8.4425 118.6677 56.7965 32.1455 177.0583 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 4.33 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 8.30 4.23 0.00 2.03 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 2.31 2.39 0.00 11 E 7.56 4.55 0.00 1.91 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 2.22 2.28 0.00 12 E 8.49 4.51 0.00 1.86 1.76 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 2.18 2.27 0.00 13 L 8.54 4.15 0.00 1.63 1.61 0.92 0.89 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 14 V 7.99 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 0.87 0.00 0.00 0.94 0.00 0.00 15 D 8.51 4.62 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.30 0.00 2.32 2.34 0.00 3.77 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 2.21 0.00 17 L 8.13 3.95 0.00 1.85 1.95 0.95 0.72 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 18 T 7.86 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 7.82 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 20 I 8.19 3.87 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.94 0.00 0.00 21 R 8.15 3.96 0.00 2.06 2.01 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 22 E 7.80 4.09 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 2.66 0.00 23 H 8.14 4.23 0.00 3.29 3.49 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 8.07 4.33 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.01 0.00 2.19 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 0.00 2.76 2.58 0.00 26 Q 7.53 4.63 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 27 T 7.04 4.64 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 E 9.01 3.92 0.00 2.02 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 2.43 0.00 29 K 7.97 4.00 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.51 7.81 30 C 7.98 4.24 0.00 3.19 3.22 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 0.00 0.00 0.00 0.00 31 V 8.28 3.57 2.25 0.00 0.00 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 1.08 0.00 0.00 32 K 8.14 4.01 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.82 7.81 33 A 7.87 4.08 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 9.16 3.52 0.00 1.51 2.24 0.00 3.11 0.00 0.00 2.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 35 E 7.95 3.90 0.00 2.27 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 0.00 2.29 2.33 0.00 36 R 7.97 4.02 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 37 L 7.64 3.89 0.00 1.78 1.75 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.09 3.91 0.00 2.01 1.95 0.00 0.00 0.00 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 2.55 0.00 39 L 7.73 3.95 0.00 1.78 1.69 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.98 4.19 0.00 3.08 3.22 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 0.00 0.00 0.00 0.00 41 D 8.33 4.25 0.00 2.85 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 42 A 8.09 3.95 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 43 R 7.97 4.06 0.00 1.98 2.06 0.00 3.06 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 44 V 8.27 3.72 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 1.06 0.00 0.00 0.98 0.00 0.00 45 S 8.58 4.30 0.00 3.94 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 7.86 4.65 0.00 4.07 4.12 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 0.00 0.00 0.00 0.00 47 R 7.10 4.66 0.00 1.81 1.82 0.00 3.13 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 48 S 8.62 4.70 0.00 3.84 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 7.88 4.92 0.00 2.96 3.20 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.92 4.36 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 4.11 0.00 1.96 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 2.25 2.19 0.00 52 E 7.51 4.13 0.00 1.86 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 2.30 2.26 0.00 53 Q 8.11 4.59 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.18 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 54 C 8.34 5.54 0.00 2.90 3.01 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 55 T 7.70 3.43 3.93 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 0.00 0.00 0.13 0.00 0.00 56 E 7.99 3.85 0.00 1.98 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 2.39 2.45 0.00 57 E 8.03 4.00 0.00 2.22 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 2.54 2.42 0.00 58 L 8.32 4.11 0.00 1.74 1.84 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.95 4.60 0.00 3.21 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 8.54 4.56 0.00 2.93 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 61 F 8.23 4.23 0.00 3.20 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 8.49 3.72 0.00 1.78 1.69 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.73 3.90 0.00 3.27 3.42 0.00 5.60 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 7.79 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.68 0.00 1.09 1.41 0.00 3.07 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 66 D 8.49 4.25 0.00 2.70 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 67 H 8.01 4.09 0.00 3.14 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.81 4.38 0.00 3.04 3.29 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 0.00 69 V 8.03 3.48 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 0.90 0.00 0.00 0.94 0.00 0.00 70 A 7.92 3.88 1.21 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 0.00 0.00 71 H 7.92 4.19 0.00 3.26 3.39 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 7.51 4.50 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.43 7.81 73 L 8.28 4.03 0.00 1.83 1.73 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.25 4.56 0.00 2.96 3.05 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 0.00 0.00 0.00 75 N 7.94 4.47 0.00 2.86 2.91 0.00 0.00 6.93 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 76 K 7.81 4.53 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 77 L 7.37 4.85 0.00 1.45 1.39 0.90 0.77 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 78 K 8.44 4.12 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.