NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3714 8.2649 123.5821 51.4974 20.6684 176.5467 3 S 4.5446 7.7994 111.3747 55.6570 66.5711 168.1300 4 V 4.4416 8.3837 123.2312 61.1042 35.4164 173.7925 5 V 4.3139 8.3687 125.5248 60.9729 33.3575 174.5680 6 I 4.3509 8.3665 127.6857 59.7554 38.3868 174.9776 7 R 4.6151 8.2817 123.4910 54.4083 33.0338 174.6373 8 N 4.1675 8.6135 112.2260 54.1312 36.1681 174.3049 9 L 4.0815 7.9558 119.2663 54.0137 42.7648 174.8220 10 S 3.9320 8.8498 121.2424 58.2038 61.8153 173.1810 11 E 4.2604 8.7132 127.5200 58.8944 28.5160 177.0838 12 A 5.2962 8.6138 135.0000 53.4793 16.8507 179.1989 13 T 3.8337 7.7979 113.9842 66.9906 68.3244 176.4162 14 H 4.0761 8.3139 119.7126 59.2175 29.7757 176.9369 15 N 4.3603 8.1669 117.5352 56.2851 38.5628 176.7229 16 A 4.0640 8.5586 122.6171 55.5460 18.3346 179.7015 17 I 3.6396 8.0906 117.9904 64.4489 37.2416 178.4040 18 K 3.9977 8.1413 122.0200 59.3779 31.9597 177.8114 19 F 4.1753 8.6373 120.8612 61.6703 39.2769 177.2255 20 R 3.5918 8.3792 117.2408 59.1430 29.8068 178.7458 21 A 4.0062 8.1996 121.2247 55.1699 18.3424 179.7491 22 R 3.7890 8.2111 115.4943 59.2433 30.0414 179.2432 23 A 3.2476 7.6690 120.3214 54.4634 18.3833 177.9117 24 A 4.4539 7.3186 115.2007 51.3282 19.1025 176.7742 25 G 3.9845 8.7570 105.9514 47.3099 0.0000 174.3068 26 R 4.6953 7.8188 114.1969 52.7181 32.7022 175.7757 27 S 4.3010 8.3356 113.9593 58.8123 64.6518 175.4688 28 T 3.8315 8.3866 119.5181 66.6689 68.1191 176.4344 29 E 3.9143 8.1439 120.4569 59.3972 29.7561 178.3579 30 A 3.9703 8.0324 120.6620 55.3283 18.2855 179.3983 31 E 3.8750 8.0203 116.6978 59.6971 29.6281 179.3673 32 I 3.6328 7.7154 119.5386 64.5157 37.1652 178.0810 33 R 3.8498 8.2132 119.6153 59.8559 29.8343 178.1991 34 L 3.9535 8.4316 119.9947 57.9790 42.0022 178.8890 35 I 3.6834 8.3111 120.2101 64.3288 37.1376 178.0363 36 L 3.9648 8.4077 119.9867 58.2711 41.4124 179.4013 37 D 4.3920 8.3176 118.5944 57.6757 40.7894 178.8500 38 N 4.3804 8.2677 116.8153 56.0804 38.5019 177.4018 39 I 3.6247 7.9430 121.1425 64.5573 37.0667 178.0302 40 A 4.0000 8.0696 121.3187 55.3930 17.9026 179.6429 41 K 3.8937 7.7367 116.6489 59.3988 32.3420 178.5862 42 A 4.1869 7.7282 119.9947 54.3494 18.5473 178.8594 43 Q 4.1195 7.8599 115.1398 56.3616 29.4545 175.7472 44 Q 4.4026 7.0082 121.0021 54.7583 30.3188 175.1942 45 T 4.4532 8.1472 120.4863 61.7092 69.7464 174.0582 46 V 3.9026 8.1722 120.0777 60.8045 32.6537 177.8641 47 R 4.3982 8.1406 121.2244 54.0940 28.9540 176.2609 48 L 3.9861 8.3783 128.8837 59.1587 42.0877 178.2422 49 G 3.6578 8.0915 104.6678 47.8800 0.0000 175.3048 50 S 4.0973 7.9944 117.3368 61.3873 63.1901 176.3510 51 M 3.9128 8.0961 120.4921 58.7375 31.6627 178.2004 52 L 4.1537 7.7539 118.4591 57.3943 42.2983 178.6931 53 A 3.9846 8.3586 121.3500 55.3150 18.0243 179.8786 54 S 4.1161 8.3207 112.6001 61.6439 63.2826 176.8247 55 I 3.7728 7.2732 121.1926 63.6000 37.0061 178.5562 56 G 3.6865 8.4088 107.2345 48.0354 0.0000 176.0008 57 Q 4.1346 7.8102 119.6996 57.7397 28.7434 178.1677 58 E 4.1623 8.3171 120.4909 57.8621 29.6541 177.0701 59 I 4.3046 7.5157 110.0172 60.2649 37.9622 176.1807 60 G 3.7691 8.3425 107.8313 45.4558 0.0000 172.1378 61 G 4.1334 8.4989 110.3083 45.4841 0.0000 173.6334 62 V 4.6066 7.9048 114.2869 59.5757 35.9854 174.2192 63 E 4.7306 8.4173 117.7333 54.8991 31.8789 173.6005 64 L 4.3974 8.1555 121.4188 56.7175 44.8026 177.0469 *65 E 4.1515 7.9568 118.8266 56.2281 30.3597 177.8051 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 2 A 8.26 4.37 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 3 S 7.80 4.54 0.00 3.89 3.72 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 0.00 0.00 0.00 4 V 8.38 4.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 5 V 8.37 4.31 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 6 I 8.37 4.35 1.88 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 1.42 0.65 0.92 0.00 0.00 7 R 8.28 4.62 0.00 1.76 1.84 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 8 N 8.61 4.17 0.00 2.83 2.87 0.00 0.00 6.82 7.85 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 9 L 7.96 4.08 0.00 1.62 1.61 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.85 3.93 0.00 3.89 3.83 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 11 E 8.71 4.26 0.00 1.99 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 2.44 2.30 0.00 12 A 8.61 5.30 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 13 T 7.80 3.83 4.37 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 1.22 0.00 0.00 14 H 8.31 4.08 0.00 3.21 3.30 0.00 5.67 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 15 N 8.17 4.36 0.00 2.93 2.87 0.00 0.00 7.00 7.79 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 16 A 8.56 4.06 1.42 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 0.00 0.00 0.00 17 I 8.09 3.64 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.89 0.00 0.00 18 K 8.14 4.00 0.00 2.07 2.11 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 19 F 8.64 4.18 0.00 3.21 3.35 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 0.00 20 R 8.38 3.59 0.00 1.90 1.94 0.00 3.26 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 21 A 8.20 4.01 1.41 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 0.00 0.00 0.00 22 R 8.21 3.79 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 23 A 7.67 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.32 4.45 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.82 4.70 0.00 1.86 1.84 0.00 3.06 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 27 S 8.34 4.30 0.00 4.06 4.03 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 28 T 8.39 3.83 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 1.14 0.00 0.00 29 E 8.14 3.91 0.00 2.03 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 2.37 2.38 0.00 30 A 8.03 3.97 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 31 E 8.02 3.87 0.00 2.23 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 2.30 2.54 0.00 32 I 7.72 3.63 1.95 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 1.58 0.81 0.91 0.00 0.00 33 R 8.21 3.85 0.00 1.98 2.17 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 34 L 8.43 3.95 0.00 1.78 1.87 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.31 3.68 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 1.52 0.65 0.91 0.00 0.00 36 L 8.41 3.96 0.00 1.78 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.32 4.39 0.00 2.84 2.72 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 0.00 0.00 0.00 38 N 8.27 4.38 0.00 2.89 2.86 0.00 0.00 7.03 6.90 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 39 I 7.94 3.62 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 1.70 0.88 0.91 0.00 0.00 40 A 8.07 4.00 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 41 K 7.74 3.89 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 A 7.73 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 4.12 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 44 Q 7.01 4.40 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 45 T 8.15 4.45 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 46 V 8.17 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 47 R 8.14 4.40 0.00 2.01 2.08 0.00 3.00 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 48 L 8.38 3.99 0.00 1.77 1.74 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.09 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.99 4.10 0.00 3.87 3.94 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 0.00 0.00 0.00 51 M 8.10 3.91 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 52 L 7.75 4.15 0.00 1.83 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.36 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.32 4.12 0.00 4.06 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 55 I 7.27 3.77 2.00 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 1.45 0.70 0.91 0.00 0.00 56 G 8.41 3.69 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 0.00 57 Q 7.81 4.13 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 58 E 8.32 4.16 0.00 2.11 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 0.00 2.32 2.31 0.00 59 I 7.52 4.30 1.87 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 1.53 0.85 0.91 0.00 0.00 60 G 8.34 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 4.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 63 E 8.42 4.73 0.00 2.00 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 2.16 2.25 0.00 64 L 8.16 4.40 0.00 1.60 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *65 E 7.96 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.