NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4503 8.0276 122.7522 55.1948 44.0298 175.1030 2 T 4.9438 8.3694 115.3062 59.6947 71.8405 172.0870 3 C 5.2687 9.0638 121.0866 54.6717 43.7706 174.7341 4 V 4.1198 8.6566 121.0760 62.9280 32.6094 174.7369 5 K 4.9232 8.7809 128.4300 54.5436 35.2594 174.9749 6 S 5.1416 8.6766 120.9331 57.8550 66.2411 173.6136 7 N 4.6246 8.6243 120.3723 52.7633 39.8447 175.0204 8 S 3.8934 8.9346 111.5850 60.7437 63.3156 174.6549 9 I 4.1412 7.4496 112.7185 60.1198 39.2207 175.5198 10 W 4.8384 8.3577 121.9113 54.3146 30.9328 175.4501 11 F 4.3322 9.1792 122.1570 56.6792 39.0994 173.1973 12 P 4.4496 0.0000 0.0000 64.4536 31.7218 175.8003 13 T 4.5429 8.2905 117.1133 61.6668 71.0261 171.7874 14 S 5.1128 8.4538 113.6565 56.7117 66.5132 173.0123 15 E 4.4733 8.7959 121.5057 54.3942 32.8567 174.1626 16 D 4.8996 8.6367 126.8843 53.9766 41.4223 177.0247 17 C 4.5184 9.0827 122.6055 56.0587 41.8237 172.4898 18 P 4.4760 0.0000 0.0000 62.0855 31.7182 175.6216 19 D 4.5453 8.5029 119.7693 56.6087 40.9351 177.7069 20 G 3.8812 9.1202 112.2472 45.1978 0.0000 173.2797 21 Q 4.5386 7.7324 118.5741 54.7659 28.1407 174.3721 22 N 5.1152 8.5569 119.3430 52.5930 40.1221 174.2129 23 L 5.0665 8.1793 118.5633 53.1987 45.7567 174.7245 24 C 5.3972 9.3681 119.8171 55.2639 37.0347 172.9366 25 F 5.6689 8.8403 117.9270 54.9609 41.2360 173.9795 26 K 4.7464 9.1182 119.5967 54.6772 35.3885 175.2587 27 R 5.1939 8.5797 123.8162 54.5512 34.0824 173.5217 28 W 5.6072 9.7867 125.4769 55.0826 32.8026 174.2495 29 Q 5.2350 9.3748 123.3444 54.1391 31.3867 174.2551 30 Y 4.5029 9.1060 126.3202 57.9816 39.0071 174.7026 31 I 4.1943 8.1923 127.4018 62.5817 38.8390 175.5659 32 S 4.2379 6.6487 111.7603 56.3349 65.3862 173.0673 33 P 4.4213 0.0000 0.0000 65.3452 30.9452 177.7686 34 R 4.6720 7.8371 113.6905 55.6499 31.0076 174.6299 35 M 4.8455 7.9580 118.0402 54.1026 35.7420 173.5117 36 Y 5.3091 7.6906 121.5532 55.9545 41.7913 173.4200 37 D 4.9291 9.2911 120.8091 52.9837 42.8595 175.2055 38 F 5.5131 9.0780 126.5965 56.9498 40.8540 174.7865 39 T 4.6316 8.7080 115.7279 59.9806 72.6134 172.9686 40 R 4.0835 8.5057 120.7921 54.1883 34.6863 175.6829 41 G 3.8605 5.7240 107.3302 46.3089 0.0000 171.3847 42 C 5.2607 8.6417 117.9422 55.7463 41.1541 172.6695 43 A 4.7271 8.6246 123.1021 51.2909 22.0385 177.5006 44 A 4.3006 8.5340 122.8015 54.2764 19.2991 178.1023 45 T 4.5577 7.4826 107.2328 60.4043 70.6072 173.5518 46 C 4.7243 8.4717 126.0741 53.9790 44.1428 171.9413 47 P 4.5596 0.0000 0.0000 61.8825 31.6776 176.7912 48 K 4.1070 8.3233 119.6336 56.1388 32.6029 177.2862 49 A 4.5262 8.4352 125.8768 52.4979 20.4783 175.5038 50 E 4.6111 8.5931 120.1689 56.7749 29.6125 178.7818 *52 R 4.3220 8.7887 130.3285 56.7169 32.5451 173.1822 53 D 5.2346 8.1793 119.2320 52.7390 42.4542 172.1593 54 V 4.5553 9.2143 122.9134 61.2158 33.4393 174.1134 55 I 5.4870 8.4854 127.2795 59.4177 41.1432 173.6556 56 N 5.3449 9.4464 124.9807 51.6530 41.0028 172.4965 57 C 5.7478 8.7524 116.2807 55.9711 41.0592 171.7381 58 C 4.8744 9.2407 114.9158 54.3218 45.3836 174.3170 59 G 4.2164 8.6389 105.3943 45.1485 0.0000 172.4558 60 T 4.5932 7.5029 109.0527 58.5212 71.7097 172.4915 61 D 4.5764 8.7929 120.9356 56.0955 41.0903 176.2952 62 K 3.8471 9.2507 127.0649 57.4165 30.3754 174.2733 63 C 4.3397 8.1550 112.9968 57.0141 41.9987 173.5021 64 N 4.8672 7.2759 117.5998 52.3178 37.4011 174.9041 65 K 4.0467 8.1956 125.4564 57.7874 32.1801 176.1479 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 L 8.03 4.45 0.00 1.78 1.59 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.37 4.94 4.39 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 1.24 0.00 0.00 3 C 9.06 5.27 0.00 2.70 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 4 V 8.66 4.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 5 K 8.78 4.92 0.00 1.61 1.31 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.84 1.22 7.81 6 S 8.68 5.14 0.00 3.78 3.79 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 0.00 0.00 0.00 7 N 8.62 4.62 0.00 2.89 2.95 0.00 0.00 6.43 7.80 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 8 S 8.93 3.89 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.14 1.53 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.30 0.82 0.00 0.00 10 W 8.36 4.84 0.00 3.53 3.12 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 11 F 9.18 4.33 0.00 3.10 3.13 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 12 P 0.00 4.45 0.00 2.01 2.03 0.00 3.84 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 13 T 8.29 4.54 4.25 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 0.00 0.00 0.00 0.82 0.00 0.00 14 S 8.45 5.11 0.00 3.83 3.68 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 0.00 0.00 0.00 0.00 15 E 8.80 4.47 0.00 1.75 1.61 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 2.09 2.10 0.00 16 D 8.64 4.90 0.00 2.56 2.57 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 17 C 9.08 4.52 0.00 2.79 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 18 P 0.00 4.48 0.00 2.18 1.97 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 19 D 8.50 4.55 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.12 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 0.00 0.00 0.00 21 Q 7.73 4.54 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.25 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 22 N 8.56 5.12 0.00 2.55 2.78 0.00 0.00 6.96 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 23 L 8.18 5.07 0.00 1.78 1.57 1.00 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 24 C 9.37 5.40 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 5.67 0.00 2.93 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 26 K 9.12 4.75 0.00 1.78 1.29 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.36 1.31 7.81 27 R 8.58 5.19 0.00 1.93 1.83 0.00 2.86 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 28 W 9.79 5.61 0.00 3.30 2.91 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 0.00 29 Q 9.37 5.23 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 30 Y 9.11 4.50 0.00 3.03 2.90 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 31 I 8.19 4.19 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.84 0.00 0.00 32 S 6.65 4.24 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.09 2.26 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 34 R 7.84 4.67 0.00 1.74 1.88 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 35 M 7.96 4.85 0.00 1.91 1.71 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 36 Y 7.69 5.31 0.00 3.26 2.98 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 37 D 9.29 4.93 0.00 2.74 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 F 9.08 5.51 0.00 3.26 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 39 T 8.71 4.63 4.25 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 0.00 0.00 0.00 1.20 0.00 0.00 40 R 8.51 4.08 0.00 1.25 1.51 0.00 3.09 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.00 41 G 5.72 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.64 5.26 0.00 3.09 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 43 A 8.62 4.73 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.30 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 45 T 7.48 4.56 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 1.19 0.00 0.00 46 C 8.47 4.72 0.00 2.96 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 47 P 0.00 4.56 0.00 2.06 1.95 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 48 K 8.32 4.11 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.38 7.81 49 A 8.44 4.53 1.35 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 0.00 0.00 50 E 8.59 4.61 0.00 1.96 1.12 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 2.22 2.39 0.00 *52 R 8.79 4.32 0.00 1.77 2.06 0.00 2.98 0.00 0.00 2.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.37 0.00 53 D 8.18 5.23 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.21 4.56 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 55 I 8.49 5.49 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.99 0.00 0.00 56 N 9.45 5.34 0.00 2.93 3.00 0.00 0.00 6.55 7.23 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 57 C 8.75 5.75 0.00 2.86 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 58 C 9.24 4.87 0.00 2.97 3.17 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 0.00 0.00 0.00 59 G 8.64 4.22 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 0.00 0.00 0.00 60 T 7.50 4.59 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 61 D 8.79 4.58 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.25 3.85 0.00 1.88 1.78 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 63 C 8.15 4.34 0.00 3.11 3.26 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 0.00 64 N 7.28 4.87 0.00 2.91 2.87 0.00 0.00 6.85 7.01 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 65 K 8.20 4.05 0.00 1.74 1.78 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.