NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7730 8.4249 118.1293 51.7113 39.3599 173.4907 7 S 4.7338 7.3428 110.1720 57.2690 66.2412 175.3956 8 D 5.0682 7.6941 119.6297 53.2749 44.1488 174.2591 9 F 5.5256 8.0513 116.1504 55.2566 41.5894 174.0156 10 V 4.6501 9.2208 112.5915 59.6334 35.2308 174.8271 11 V 4.7452 8.6302 124.3346 61.5877 33.5071 174.5413 12 I 4.9805 9.0259 128.7130 59.4166 40.6437 174.1154 13 K 5.0675 9.2921 129.1367 54.4078 34.4509 174.8393 14 A 4.5598 8.7811 130.2383 52.0227 19.0869 177.5761 15 L 4.5160 9.1696 122.8552 55.1607 42.6491 175.7901 16 E 4.8027 7.7574 116.2328 54.5172 33.7207 174.4624 17 D 4.6141 8.7285 119.1904 54.9794 41.5378 176.0991 18 G 3.8569 8.3845 107.0693 46.7337 0.0000 174.3637 19 V 3.9784 7.8386 119.3927 62.2960 33.2028 174.1309 20 N 5.2307 9.4530 126.0813 51.9024 41.0230 173.2306 21 V 4.5555 8.7148 127.5103 61.5981 33.2538 174.0622 22 I 4.8054 9.0495 130.4267 59.6401 39.3113 175.2577 23 G 4.3578 9.6210 116.1449 45.1690 0.0000 172.6709 24 L 5.1151 9.1112 124.1833 53.3340 45.2548 175.0907 25 T 4.4463 8.1830 106.5927 62.9199 70.1122 174.1157 *31 R 3.7905 7.6308 117.2349 54.8235 31.0656 175.3750 32 F 4.7365 8.1056 118.5705 56.3255 36.7821 174.4033 33 H 4.1572 8.0293 122.4028 59.2989 29.8812 174.1180 34 H 4.7702 8.8602 119.5424 54.6152 32.6982 171.7582 35 S 4.8310 8.6182 120.5202 57.2137 64.5674 173.2761 36 E 4.4545 8.4157 127.0696 55.5895 32.4581 174.9277 37 K 4.7448 8.6724 131.0614 54.9619 33.1161 172.7445 38 L 4.9439 9.0198 123.4508 52.6604 45.2272 175.5695 39 D 5.1155 10.1181 124.1822 51.9354 43.7722 175.8170 40 K 4.0654 8.1951 121.8571 58.1760 32.1529 177.0495 41 G 4.0088 9.4149 116.1937 45.0228 0.0000 173.1529 42 E 4.3055 8.2962 119.8818 56.2028 30.9445 175.9665 43 V 4.9425 8.2449 121.3716 61.0461 34.5252 174.1892 44 L 4.6975 9.1646 129.8961 53.3101 44.7052 174.9213 45 I 4.9097 8.4827 126.8021 59.8772 38.5542 174.4318 46 A 4.6771 9.0363 130.3386 50.1188 21.0457 175.1958 47 Q 5.0388 8.4763 123.1943 54.2286 31.6544 174.8457 48 F 4.4887 8.7338 124.3161 57.5063 39.6079 175.8815 49 T 4.5614 8.4853 114.6602 59.7404 71.0744 174.4741 50 E 4.1440 8.7775 118.7757 59.8353 29.7358 177.8557 51 H 4.0122 8.4690 115.5407 57.8757 28.8023 174.8544 52 T 4.7647 7.5040 115.2890 61.7760 69.0135 174.0498 53 S 4.5016 8.9060 122.3006 60.6128 63.7980 174.5853 54 A 5.1553 8.0919 120.8673 49.6247 22.8844 174.5880 55 I 5.0021 8.5651 119.4442 59.4049 40.4423 174.8253 56 K 4.6210 9.3851 128.6485 54.5626 34.6942 174.8126 57 V 4.7832 8.4211 126.4620 61.1740 33.7547 174.2422 58 R 4.4773 9.0114 129.1986 54.8619 32.2638 174.5180 59 G 3.9634 8.4996 112.1340 43.2974 0.0000 172.8025 60 K 4.6162 8.9515 121.0001 55.8268 32.7325 175.5026 61 A 5.1323 8.9887 128.5545 50.7678 23.5966 173.5862 62 Y 4.9880 9.3217 121.1535 55.9780 41.1344 174.5707 63 I 4.9555 8.5331 127.4821 59.5337 40.7711 174.3055 64 Q 4.8194 9.0807 126.4433 54.2710 31.3057 174.9227 65 T 4.8672 8.4131 112.7969 59.3357 72.4511 174.6623 66 R 3.6477 8.5732 121.3665 59.5343 29.8289 176.4086 67 H 4.6958 7.6064 112.3530 55.4503 29.0574 174.2775 68 G 3.7247 8.0794 107.1014 44.2589 0.0000 173.3300 69 V 4.5334 7.7092 111.1410 60.4991 33.7026 175.5627 70 I 4.3773 8.1193 120.4969 60.1488 41.8749 172.4713 71 E 5.2619 8.7939 128.5756 54.4023 31.8461 174.9533 72 S 4.6109 9.0215 122.2423 57.4389 65.1996 173.0768 73 E 4.6622 8.8728 123.9692 54.8828 30.3036 176.3012 74 G 4.2005 8.4642 112.8974 45.8717 0.0000 171.7323 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 6 N 8.42 4.77 0.00 2.74 2.88 0.00 0.00 6.82 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 7 S 7.34 4.73 0.00 3.93 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 8 D 7.69 5.07 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 5.53 0.00 3.14 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 10 V 9.22 4.65 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 0.74 0.00 0.00 0.88 0.00 0.00 11 V 8.63 4.75 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 1.07 0.00 0.00 1.16 0.00 0.00 12 I 9.03 4.98 1.88 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 1.11 0.51 0.92 0.00 0.00 13 K 9.29 5.07 0.00 1.88 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.78 4.56 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 15 L 9.17 4.52 0.00 1.56 1.73 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.76 4.80 0.00 1.97 2.01 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 2.25 2.32 0.00 17 D 8.73 4.61 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 19 V 7.84 3.98 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 1.02 0.00 0.00 0.99 0.00 0.00 20 N 9.45 5.23 0.00 2.78 2.61 0.00 0.00 6.59 7.57 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 21 V 8.71 4.56 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 9.05 4.81 1.92 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 1.15 0.45 1.00 0.00 0.00 23 G 9.62 4.36 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 0.00 24 L 9.11 5.12 0.00 1.89 1.58 1.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.18 4.45 4.19 0.00 0.00 0.00 0.00 0.00 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 *31 R 7.63 3.79 0.00 2.01 2.07 0.00 2.97 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 32 F 8.11 4.74 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 33 H 8.03 4.16 0.00 3.15 3.56 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.86 4.77 0.00 3.04 3.08 0.00 5.82 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.62 4.83 0.00 3.90 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 36 E 8.42 4.45 0.00 1.98 1.77 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 2.18 2.28 0.00 37 K 8.67 4.74 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.02 4.94 0.00 1.69 1.54 0.93 0.90 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 39 D 10.12 5.12 0.00 2.77 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 40 K 8.20 4.07 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 41 G 9.41 4.01 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 0.00 0.00 0.00 42 E 8.30 4.31 0.00 2.10 1.88 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 2.32 2.26 0.00 43 V 8.24 4.94 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.16 4.70 0.00 1.72 1.47 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.91 1.73 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 1.22 0.92 0.64 0.00 0.00 46 A 9.04 4.68 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.48 5.04 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.73 4.49 0.00 3.09 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 49 T 8.49 4.56 4.31 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 1.24 0.00 0.00 50 E 8.78 4.14 0.00 2.10 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 0.00 2.34 2.34 0.00 51 H 8.47 4.01 0.00 3.15 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.50 4.76 4.34 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 1.29 0.00 0.00 53 S 8.91 4.50 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 5.16 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 55 I 8.57 5.00 1.85 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.91 0.00 0.00 56 K 9.39 4.62 0.00 1.83 1.68 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 57 V 8.42 4.78 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.01 4.48 0.00 1.87 1.73 0.00 3.10 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 59 G 8.50 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.95 4.62 0.00 2.20 1.73 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 61 A 8.99 5.13 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 62 Y 9.32 4.99 0.00 2.96 2.85 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 63 I 8.53 4.96 1.89 0.00 0.00 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 1.21 0.59 0.90 0.00 0.00 64 Q 9.08 4.82 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 65 T 8.41 4.87 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 1.18 0.00 0.00 66 R 8.57 3.65 0.00 1.59 1.78 0.00 3.18 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 67 H 7.61 4.70 0.00 3.17 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.08 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 0.00 0.00 0.00 69 V 7.71 4.53 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.99 0.00 0.00 70 I 8.12 4.38 1.84 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 1.11 1.01 0.86 0.00 0.00 71 E 8.79 5.26 0.00 2.11 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 2.24 2.38 0.00 72 S 9.02 4.61 0.00 3.94 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 73 E 8.87 4.66 0.00 1.86 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 2.24 0.00 74 G 8.46 4.20 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 0.00 * Residues marked with a * may have inaccurate shift predictions.