NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2936 8.1849 120.9855 55.5862 41.8342 175.5075 4 S 4.4448 8.1860 114.7307 55.3828 64.0342 172.9614 5 R 4.3411 9.0119 121.5260 55.9023 31.4486 176.5709 6 T 3.9827 8.7929 118.4127 66.4300 68.6884 175.0544 7 V 4.3381 7.5267 111.5130 59.6144 34.0895 175.1162 8 R 4.4280 8.0366 120.4489 54.9894 31.5330 176.9109 9 C 4.7081 8.3026 117.1442 56.6454 40.9743 174.3761 10 T 3.8249 8.5949 111.0453 63.8008 68.7101 174.2667 11 C 4.7723 7.7594 120.3386 55.2979 41.4229 173.7176 12 I 3.9173 8.5424 126.4539 63.6502 37.1056 176.4413 13 S 4.7784 7.7302 111.7883 56.1254 65.9629 172.8150 14 I 4.4546 8.1945 114.6649 59.0540 39.6295 174.6450 15 S 4.6664 8.9004 119.3123 56.8922 63.4251 174.6358 16 N 4.4791 8.6860 124.7181 55.4489 38.9392 175.9042 17 Q 4.0130 7.4510 116.7486 55.9198 29.2503 175.1598 18 P 4.6158 0.0000 0.0000 61.9115 32.5043 175.6552 19 V 4.2863 7.8439 118.7050 60.8390 33.9805 174.8119 20 N 4.5245 8.9012 125.4279 52.9818 38.7350 173.8013 21 P 4.1931 0.0000 0.0000 66.0310 31.7350 178.4663 22 R 4.0945 8.0882 116.4484 57.8945 30.5397 177.4605 23 S 4.3964 9.5280 112.4403 59.3316 63.7456 174.3263 24 L 4.3558 7.5424 121.7914 54.7740 41.7943 176.3374 25 E 4.4546 8.7761 123.2823 57.0800 31.0090 175.0574 26 K 4.5269 7.0421 114.9733 57.5611 35.9527 174.4726 27 L 5.3016 7.8276 126.5839 55.7587 44.7147 174.1540 28 E 4.7090 8.4321 123.9988 54.8533 33.0033 174.1445 29 I 4.5020 8.4682 124.8598 60.2135 39.0350 175.6000 30 I 4.5433 8.2876 127.3014 58.3037 38.9729 173.3976 31 P 4.7474 0.0000 0.0000 62.1205 32.1345 175.7053 32 A 4.4722 8.4404 122.7896 53.1306 18.8069 176.0205 33 S 4.5336 8.1288 112.0100 57.5742 66.1857 175.3975 34 Q 4.0689 7.5209 117.2294 55.1261 28.0226 176.1171 35 F 4.8988 7.0841 112.2049 58.9123 44.4050 176.0356 36 C 4.9258 7.8946 115.1599 54.9552 45.3162 172.0157 37 P 4.4638 0.0000 0.0000 63.0725 31.0339 176.6655 38 R 4.8220 8.3152 114.0587 54.8474 32.5028 175.1852 39 V 3.9958 8.4663 121.3639 62.1733 32.3763 174.9471 40 E 4.6382 8.9286 124.1237 54.6017 32.3517 174.9178 41 I 4.6818 8.3822 125.9493 59.9760 39.2731 174.6123 42 I 4.7419 8.4215 128.6876 59.4352 39.5641 174.6162 43 A 4.7288 9.0733 130.0993 50.9870 20.8023 175.9463 44 T 4.4804 8.3685 120.1414 62.0291 69.6915 174.2568 45 M 4.4345 8.2749 126.4724 55.2106 32.4428 177.4267 46 K 4.2573 8.5143 121.3167 59.4733 32.5178 178.4892 47 K 3.8539 8.1234 117.8791 57.7302 33.0843 176.9112 48 K 3.5941 8.9159 115.7464 57.2712 29.5982 174.7579 49 G 4.1064 8.4857 120.9321 45.1120 0.0000 171.6362 50 E 4.0703 12.0000 117.1709 56.2864 31.0468 176.3468 51 K 4.8072 8.6064 121.3638 54.8953 33.3263 174.5025 52 R 4.4965 8.5597 125.9214 54.9448 31.9515 174.5678 53 C 5.0465 8.7528 123.4745 56.5157 42.0021 172.3272 54 L 5.1999 9.0082 123.3542 52.8660 44.0366 175.9961 55 N 4.6508 8.5356 122.2479 52.4073 39.0464 174.0473 56 P 4.3511 0.0000 0.0000 65.2690 31.6461 177.4597 57 E 3.9796 9.7009 121.2071 59.0192 29.7885 177.0326 58 S 3.9817 8.0143 112.7215 58.5793 62.6009 175.1049 59 K 4.0538 8.6792 127.8271 58.6470 32.4213 177.6722 60 A 4.2406 8.0343 122.0013 55.5296 18.4501 178.6837 61 I 4.1095 7.2342 115.6372 61.8750 37.1268 176.8732 62 K 4.6360 7.7350 116.5793 54.8173 34.7939 177.7737 63 N 4.7772 7.8677 116.3064 53.8748 38.2997 176.5857 64 L 4.0118 7.9738 121.2603 57.6775 42.2863 178.6002 65 L 4.1828 7.8102 118.9736 57.5164 41.6174 179.1150 66 K 3.9851 7.9756 116.8565 59.9338 32.6997 178.4356 67 A 4.2496 7.8027 121.0708 53.3308 19.0317 177.6702 68 V 4.0433 7.4830 119.3858 61.0924 29.9828 176.5125 69 S 5.1665 7.7497 130.9778 59.3550 63.4710 177.6194 *70 K 4.1936 7.6709 127.0136 54.6548 32.1496 177.9179 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 3 L 8.18 4.29 0.00 1.75 1.77 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.19 4.44 0.00 3.96 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 5 R 9.01 4.34 0.00 1.98 1.89 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 6 T 8.79 3.98 4.30 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 1.23 0.00 0.00 7 V 7.53 4.34 2.11 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 0.75 0.00 0.00 0.99 0.00 0.00 8 R 8.04 4.43 0.00 1.81 1.89 0.00 3.21 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 1.59 1.65 0.00 9 C 8.30 4.71 0.00 2.98 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 3.82 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 1.22 0.00 0.00 11 C 7.76 4.77 0.00 3.06 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 12 I 8.54 3.92 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 1.47 0.34 0.91 0.00 0.00 13 S 7.73 4.78 0.00 3.91 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 14 I 8.19 4.45 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 1.30 0.74 0.91 0.00 0.00 15 S 8.90 4.67 0.00 3.83 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 16 N 8.69 4.48 0.00 2.75 2.86 0.00 0.00 7.07 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 17 Q 7.45 4.01 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 18 P 0.00 4.62 0.00 2.04 1.97 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 19 V 7.84 4.29 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 0.80 0.00 0.00 0.93 0.00 0.00 20 N 8.90 4.52 0.00 2.84 2.71 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.19 0.00 2.26 2.29 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 22 R 8.09 4.09 0.00 1.95 2.03 0.00 3.36 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 23 S 9.53 4.40 0.00 4.01 4.11 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 24 L 7.54 4.36 0.00 1.85 1.79 0.95 0.88 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 25 E 8.78 4.45 0.00 1.97 2.20 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 2.24 2.25 0.00 26 K 7.04 4.53 0.00 1.63 1.69 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.44 7.81 27 L 7.83 5.30 0.00 1.67 1.56 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.43 4.71 0.00 2.04 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 2.18 2.28 0.00 29 I 8.47 4.50 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 1.35 0.86 0.92 0.00 0.00 30 I 8.29 4.54 1.89 0.00 0.00 0.87 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 1.24 0.94 0.00 0.00 31 P 0.00 4.75 0.00 2.08 2.07 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 A 8.44 4.47 1.29 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 0.00 0.00 33 S 8.13 4.53 0.00 4.20 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 34 Q 7.52 4.07 0.00 1.69 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 35 F 7.08 4.90 0.00 3.06 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 36 C 7.89 4.93 0.00 2.98 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 37 P 0.00 4.46 0.00 2.18 2.11 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 38 R 8.32 4.82 0.00 1.74 1.88 0.00 3.07 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 39 V 8.47 4.00 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 0.72 0.00 0.00 0.94 0.00 0.00 40 E 8.93 4.64 0.00 1.96 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 2.22 2.38 0.00 41 I 8.38 4.68 2.05 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 1.35 1.00 0.91 0.00 0.00 42 I 8.42 4.74 1.87 0.00 0.00 0.87 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 0.52 0.91 0.00 0.00 43 A 9.07 4.73 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 44 T 8.37 4.48 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 1.24 0.00 0.00 45 M 8.27 4.43 0.00 1.85 2.00 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 2.63 2.67 0.00 46 K 8.51 4.26 0.00 1.68 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.58 7.81 47 K 8.12 3.85 0.00 1.86 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.37 7.81 48 K 8.92 3.59 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.48 7.81 49 G 8.49 4.11 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 0.00 0.00 0.00 50 E 12.00 4.07 0.00 2.06 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 0.00 2.71 2.30 0.00 51 K 8.61 4.81 0.00 1.63 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.34 7.81 52 R 8.56 4.50 0.00 1.91 1.78 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 53 C 8.75 5.05 0.00 3.14 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 54 L 9.01 5.20 0.00 1.44 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.54 4.65 0.00 2.73 2.77 0.00 0.00 6.89 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.21 2.19 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 57 E 9.70 3.98 0.00 1.92 2.02 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 2.32 2.29 0.00 58 S 8.01 3.98 0.00 3.91 3.95 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 59 K 8.68 4.05 0.00 1.73 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.50 7.81 60 A 8.03 4.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.23 4.11 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 1.48 0.92 0.91 0.00 0.00 62 K 7.73 4.64 0.00 1.86 1.77 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.36 1.49 7.81 63 N 7.87 4.78 0.00 2.88 3.04 0.00 0.00 6.44 6.42 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 64 L 7.97 4.01 0.00 1.64 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.81 4.18 0.00 1.77 1.69 0.92 0.66 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 66 K 7.98 3.99 0.00 1.91 1.94 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.50 7.81 67 A 7.80 4.25 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 68 V 7.48 4.04 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 1.00 0.00 0.00 69 S 7.75 5.17 0.00 3.73 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 *70 K 7.67 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.