NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3410 8.3149 122.1392 54.6344 32.9296 176.0358 6 S 4.4732 8.4221 114.9247 57.1932 65.2115 171.7759 7 A 3.8153 8.4091 128.4199 52.5723 18.9344 175.1153 8 C 5.0948 8.0832 115.7164 54.6500 39.6952 174.2440 9 C 5.0958 9.2814 120.4299 55.2762 46.0203 174.6615 10 D 4.2522 9.8381 128.3208 56.9585 40.8110 176.3949 11 T 4.4791 8.0709 117.0490 61.7745 70.4492 171.6538 12 C 5.1589 8.6408 126.1620 55.0025 44.5317 172.2818 13 L 4.8587 8.6932 126.3952 53.2198 43.5784 174.8949 14 C 5.6402 8.6412 120.7043 55.0447 43.6262 174.0711 15 T 4.3041 8.2826 112.6439 61.4301 69.3214 174.8259 16 K 4.1750 8.6128 120.3173 56.9547 32.7363 177.3368 17 S 4.2473 7.6675 117.3165 59.1806 63.2588 173.7512 18 N 4.8959 8.1822 117.1778 50.2959 39.9010 169.4765 19 P 4.5188 0.0000 0.0000 61.0505 32.2384 174.5961 20 P 5.0679 0.0000 0.0000 62.3250 32.6543 175.5389 21 T 4.6357 8.3555 117.6879 62.0935 71.3627 174.0935 22 C 5.6597 9.6724 123.9335 55.3667 45.8365 172.9372 23 R 4.9508 8.6169 115.9522 55.3712 33.2138 172.6903 24 C 5.1865 8.6899 119.8099 54.9256 45.0176 173.3669 25 V 4.3020 8.1703 119.1773 61.3159 31.9066 176.0985 26 D 4.6966 8.1841 120.8123 54.5172 41.3253 176.1211 27 V 5.1912 7.4419 120.7039 59.1153 34.6594 175.1892 28 G 3.8515 8.1572 107.2149 46.9999 0.0000 172.9627 *30 E 4.7018 9.0398 117.9207 56.3290 31.2925 175.5708 31 T 4.5716 7.4495 106.1471 60.8949 71.6136 173.0980 32 C 4.7963 8.2340 119.2564 55.0143 43.2885 173.6570 33 H 4.4963 8.1244 116.5753 55.1918 28.7037 176.4730 34 S 4.0258 8.7074 115.3271 61.3006 62.4780 175.0900 35 A 4.4079 7.7302 120.7863 51.8476 18.9475 177.1190 36 C 4.6840 8.1238 118.1763 56.5579 44.1107 173.4160 37 L 4.0679 10.3607 128.9087 57.1863 41.6767 177.1503 38 S 4.5433 8.6686 117.5754 56.6919 63.2292 171.1275 39 C 5.1358 8.5758 126.4961 54.9669 40.3765 172.3177 40 I 4.4714 8.6674 128.2421 59.8722 38.6937 174.5006 41 C 5.6174 8.7175 122.9085 55.2103 42.2273 173.1699 42 A 4.6415 8.9815 125.3358 50.9042 20.6617 178.0349 *43 Y 4.4267 7.9165 119.8606 56.1514 36.0799 174.5802 44 S 4.8400 7.4931 117.7322 56.3874 66.7331 172.9113 45 N 4.9213 8.3861 118.6576 50.8683 40.4264 172.2865 46 P 4.5405 0.0000 0.0000 61.3923 32.4078 173.9391 47 P 4.7578 0.0000 0.0000 62.4655 32.5072 175.7835 48 K 4.6062 8.3063 118.1364 55.0449 35.4280 174.9071 49 C 5.6530 9.4791 122.6677 55.2170 44.7816 173.1228 50 Q 5.1179 9.4259 121.8643 54.6504 32.8719 172.7712 51 C 4.9961 8.7940 124.9451 55.8730 44.2566 172.8815 52 F 4.4794 9.2949 124.9971 57.6307 39.0478 176.1727 53 D 4.6520 8.1511 119.2919 54.3131 41.3944 175.6730 54 T 4.7908 8.1425 111.0074 60.2650 71.5294 172.9876 55 Q 4.3304 9.0790 124.7862 55.4807 33.0400 175.6730 56 K 4.5459 8.2858 117.6440 54.2112 31.6518 173.7701 57 F 4.9600 6.8009 112.8950 56.8484 40.6395 173.8367 58 C 4.8407 8.4721 118.2021 55.2988 42.1852 173.7663 59 Y 4.5299 8.2081 120.6761 57.3820 38.8789 175.2375 60 K 4.3337 8.8358 124.3774 56.7571 33.6956 176.8921 61 Q 5.0123 8.5750 124.7333 55.9572 28.3153 177.9383 62 C 4.4853 8.8561 115.6317 59.2141 41.0409 174.6018 63 H 4.5959 7.6896 113.8642 54.7302 30.1978 173.6412 64 N 4.1866 8.5382 117.2528 53.7163 34.7743 180.4584 65 S 4.5125 7.9839 114.8128 56.6333 64.9703 176.0006 66 E 4.0634 8.9170 126.6876 56.0763 28.5961 177.0709 67 L 4.4517 8.3445 124.0289 56.1121 41.6077 176.6216 68 E 4.8034 7.7466 117.6906 54.7009 33.5265 174.0874 69 E 4.6639 8.2915 117.9939 54.4182 32.8026 175.1242 70 V 3.8318 8.2491 120.3933 62.1588 31.8454 175.5147 71 I 4.1289 8.3201 131.4669 60.6476 37.4685 177.9601 72 K 4.3602 8.4018 128.6737 54.7660 29.1205 173.0595 73 N 4.5954 8.1391 121.6382 52.6545 37.5336 176.1207 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 5 K 8.31 4.34 0.00 1.79 1.35 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 6 S 8.42 4.47 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.82 0.94 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 0.00 0.00 8 C 8.08 5.09 0.00 3.26 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 9 C 9.28 5.10 0.00 3.02 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 10 D 9.84 4.25 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.48 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 1.21 0.00 0.00 12 C 8.64 5.16 0.00 3.01 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 13 L 8.69 4.86 0.00 1.63 1.50 0.90 0.54 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 14 C 8.64 5.64 0.00 2.78 2.92 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 0.00 0.00 0.00 15 T 8.28 4.30 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 1.21 0.00 0.00 16 K 8.61 4.17 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.36 7.81 17 S 7.67 4.25 0.00 3.95 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 18 N 8.18 4.90 0.00 2.71 2.60 0.00 0.00 6.63 7.75 0.00 0.00 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 P 0.00 4.52 0.00 2.17 2.08 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 20 P 0.00 5.07 0.00 1.94 2.24 0.00 3.67 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 21 T 8.36 4.64 4.21 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 1.16 0.00 0.00 22 C 9.67 5.66 0.00 2.75 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 23 R 8.62 4.95 0.00 1.83 1.90 0.00 2.55 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 24 C 8.69 5.19 0.00 3.13 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 25 V 8.17 4.30 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 0.64 0.00 0.00 0.95 0.00 0.00 26 D 8.18 4.70 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.44 5.19 2.10 0.00 0.00 0.00 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 1.00 0.00 0.00 28 G 8.16 3.85 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 0.00 *30 E 9.04 4.70 0.00 2.00 2.07 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 2.21 2.31 0.00 31 T 7.45 4.57 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 1.21 0.00 0.00 32 C 8.23 4.80 0.00 2.93 2.93 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 0.00 33 H 8.12 4.50 0.00 3.19 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.71 4.03 0.00 3.96 4.06 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 35 A 7.73 4.41 1.13 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 36 C 8.12 4.68 0.00 2.72 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 37 L 10.36 4.07 0.00 1.83 1.73 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.67 4.54 0.00 3.94 3.85 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 39 C 8.58 5.14 0.00 3.00 2.97 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 0.00 0.00 0.00 40 I 8.67 4.47 1.51 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.61 0.00 0.00 41 C 8.72 5.62 0.00 2.79 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 42 A 8.98 4.64 1.23 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 0.00 0.00 0.00 *43 Y 7.92 4.43 0.00 2.34 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 0.00 0.00 0.00 44 S 7.49 4.84 0.00 3.95 3.97 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 0.00 0.00 0.00 45 N 8.39 4.92 0.00 2.63 2.71 0.00 0.00 7.00 7.69 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 46 P 0.00 4.54 0.00 2.29 2.04 0.00 3.82 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 1.99 1.95 0.00 47 P 0.00 4.76 0.00 2.10 2.10 0.00 3.31 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 48 K 8.31 4.61 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 C 9.48 5.65 0.00 2.85 2.94 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 50 Q 9.43 5.12 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 51 C 8.79 5.00 0.00 2.94 2.95 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 0.00 0.00 0.00 52 F 9.29 4.48 0.00 2.95 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 53 D 8.15 4.65 0.00 2.74 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 54 T 8.14 4.79 4.18 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 0.00 0.00 1.17 0.00 0.00 55 Q 9.08 4.33 0.00 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 56 K 8.29 4.55 0.00 1.77 1.67 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 0.98 7.81 57 F 6.80 4.96 0.00 2.96 2.96 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 58 C 8.47 4.84 0.00 2.98 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 59 Y 8.21 4.53 0.00 2.94 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 60 K 8.84 4.33 0.00 1.87 1.70 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.41 7.81 61 Q 8.58 5.01 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.82 0.00 62 C 8.86 4.49 0.00 2.83 2.86 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 63 H 7.69 4.60 0.00 3.13 3.28 0.00 6.00 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.54 4.19 0.00 2.89 2.75 0.00 0.00 6.36 7.64 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 65 S 7.98 4.51 0.00 3.56 3.63 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 66 E 8.92 4.06 0.00 1.96 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 2.33 2.26 0.00 67 L 8.34 4.45 0.00 1.73 1.79 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.75 4.80 0.00 1.92 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 2.21 2.29 0.00 69 E 8.29 4.66 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 2.27 0.00 70 V 8.25 3.83 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 0.82 0.00 0.00 0.92 0.00 0.00 71 I 8.32 4.13 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 1.27 0.95 0.91 0.00 0.00 72 K 8.40 4.36 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 73 N 8.14 4.60 0.00 2.82 2.82 0.00 0.00 6.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.