NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3156 8.3144 122.1438 53.4845 34.4237 175.6445 6 S 4.1281 7.9722 117.9078 58.5373 63.5141 172.9619 7 A 4.1583 7.5921 122.9787 51.1894 18.2722 174.5425 8 C 5.1694 8.0318 114.4624 54.7165 40.9457 174.5486 9 C 5.0848 9.4903 120.4544 55.3425 46.2095 174.4862 10 D 4.1772 9.7288 128.3108 57.3690 40.9333 176.9133 11 T 4.4464 8.2903 120.7758 62.0232 70.1812 172.0113 12 C 5.1548 8.6848 126.9414 54.8832 45.6957 172.4660 13 L 4.8336 8.8112 127.0139 53.3335 43.3718 175.0034 14 C 5.5298 8.5981 120.6175 55.0365 43.7382 174.1403 15 T 4.2803 8.3933 112.9822 61.5144 69.2410 174.7961 16 K 4.1819 8.6193 120.4530 56.9607 32.5079 177.3009 17 S 4.2503 7.8470 116.3116 59.0256 63.3295 174.0311 18 N 4.8769 8.1787 116.9852 50.1952 39.9738 170.3770 19 P 4.5675 0.0000 0.0000 60.6349 32.2484 174.7315 20 P 4.6320 0.0000 0.0000 62.9770 32.8425 175.2961 21 T 4.6524 8.5288 117.6773 62.1143 71.2222 172.8839 22 C 5.6734 9.5575 123.7921 55.4458 44.7392 172.9139 23 R 4.8537 8.7929 115.5925 55.4798 32.9613 172.9154 24 C 5.0529 8.7058 120.5538 55.0153 44.8178 173.2291 25 V 4.3202 8.0269 119.5999 61.4833 32.1390 176.2744 26 D 4.5755 8.1308 120.9884 54.4977 41.8489 175.4616 27 V 5.2955 7.5682 121.0642 60.3564 34.7996 174.8557 28 G 3.8724 8.1515 110.5884 46.9260 0.0000 173.0694 *30 E 4.5930 8.9241 117.7195 56.1948 31.1898 175.2054 31 T 4.3343 7.3122 111.0882 61.7977 70.1187 172.2186 32 C 4.8235 8.2551 121.4557 54.7443 37.2571 173.4328 33 H 4.5135 8.0622 116.3859 55.1421 28.7409 176.5139 34 S 4.0463 8.6379 114.7198 61.3644 62.5991 175.1385 35 A 4.2942 7.6328 120.5954 52.1962 18.7406 177.4052 36 C 4.7457 7.9808 117.5482 56.4826 44.1623 173.3407 37 L 4.0744 10.4325 129.0070 57.3203 41.6828 177.3571 38 S 4.5163 8.5766 118.3133 56.6687 63.2558 171.0647 39 C 5.0922 8.5603 126.4521 55.0814 42.5147 172.2179 40 I 4.3863 8.5336 128.4793 59.8249 38.5800 174.5999 41 C 5.6098 8.6815 123.1283 55.2063 43.4990 173.2872 42 A 4.5663 8.8954 125.5937 51.1553 20.0794 178.4005 *43 Y 4.3256 7.8716 119.5177 55.8226 35.7058 175.4076 44 S 4.8368 7.4370 118.0506 56.3411 66.8922 173.0187 45 N 5.0093 8.4234 119.0353 50.9054 40.2983 172.5076 46 P 4.5659 0.0000 0.0000 61.4648 32.4962 173.9783 47 P 4.6880 0.0000 0.0000 62.1245 32.4307 176.3918 48 K 4.5863 8.5511 120.0678 55.0882 35.4115 175.9719 49 C 5.6399 9.5467 122.6884 55.2070 44.6152 173.1773 50 Q 5.1574 9.1563 122.0426 53.7164 32.8424 172.8167 51 C 5.0359 8.8055 125.4770 56.1035 44.0020 173.1100 52 F 4.2722 9.5218 125.2773 58.0106 39.0118 176.2152 53 D 4.6150 8.2337 118.8754 54.8963 41.2940 175.8376 54 T 4.8081 8.1063 116.8081 62.1586 72.0925 173.4097 55 Q 4.4157 8.9640 125.8583 55.5838 33.0814 175.2953 56 K 4.7271 8.3071 118.1324 54.1198 31.8435 175.2482 57 F 4.8972 6.9996 113.3428 57.1615 40.4723 173.4662 58 C 4.8479 8.5555 117.9413 55.2543 42.1003 173.9371 59 Y 4.6674 8.3864 121.6762 57.2232 39.1192 174.9914 60 K 4.4721 8.8282 121.5437 57.0408 34.4324 177.3714 61 Q 5.1311 8.5542 121.4221 56.2198 28.4405 178.0982 62 C 4.4864 9.1716 119.6387 60.2896 37.2038 175.6571 *63 H 4.7839 8.1709 115.7390 53.8703 28.7351 175.6918 64 N 4.3482 8.4109 116.2482 54.5067 34.8937 178.1494 65 S 4.7971 7.6254 113.8721 56.8634 65.4962 176.8130 66 E 4.4787 8.6689 122.3523 54.6246 29.2051 175.7495 67 L 4.4891 8.3284 123.7015 55.7495 41.4762 176.2867 68 E 4.7975 7.6574 117.8520 54.9795 33.5591 174.0270 69 E 4.6735 8.2719 118.0052 54.4311 32.8062 175.0497 70 V 3.8284 8.2491 120.3893 62.1695 31.9776 175.4996 71 I 4.1204 8.3226 131.3539 60.5845 37.3129 177.6973 72 K 4.3268 8.4237 128.5684 54.7156 29.2799 173.1197 73 N 4.5948 8.1946 121.6448 52.5330 37.5741 176.0580 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 4.32 0.00 1.79 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 S 7.97 4.13 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.16 1.08 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 0.00 0.00 8 C 8.03 5.17 0.00 3.33 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 9 C 9.49 5.08 0.00 3.02 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 10 D 9.73 4.18 0.00 3.07 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 11 T 8.29 4.45 4.33 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 1.21 0.00 0.00 12 C 8.68 5.15 0.00 3.01 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 13 L 8.81 4.83 0.00 1.58 1.52 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.60 5.53 0.00 2.78 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 15 T 8.39 4.28 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 1.24 0.00 0.00 16 K 8.62 4.18 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.41 7.81 17 S 7.85 4.25 0.00 3.96 3.90 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 18 N 8.18 4.88 0.00 2.68 2.59 0.00 0.00 7.08 7.58 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 19 P 0.00 4.57 0.00 2.03 2.01 0.00 3.64 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 2.02 2.07 0.00 20 P 0.00 4.63 0.00 2.06 2.20 0.00 3.72 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 1.99 0.00 21 T 8.53 4.65 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 1.17 0.00 0.00 22 C 9.56 5.67 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.79 4.85 0.00 1.87 1.90 0.00 2.57 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 24 C 8.71 5.05 0.00 3.12 3.07 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 0.00 0.00 0.00 25 V 8.03 4.32 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 0.66 0.00 0.00 0.98 0.00 0.00 26 D 8.13 4.58 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 5.30 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 0.76 0.00 0.00 1.00 0.00 0.00 28 G 8.15 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 E 8.92 4.59 0.00 1.99 2.06 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 2.21 2.30 0.00 31 T 7.31 4.33 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 1.20 0.00 0.00 32 C 8.26 4.82 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.06 4.51 0.00 3.19 3.44 0.00 5.67 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 8.64 4.05 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 35 A 7.63 4.29 1.14 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 0.00 0.00 36 C 7.98 4.75 0.00 2.78 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 37 L 10.43 4.07 0.00 1.91 1.73 0.97 0.92 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 8.58 4.52 0.00 3.90 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 39 C 8.56 5.09 0.00 2.99 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 8.53 4.39 1.20 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.54 0.00 0.00 41 C 8.68 5.61 0.00 2.78 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 8.90 4.57 1.21 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 0.00 0.00 0.00 *43 Y 7.87 4.33 0.00 2.34 2.13 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 44 S 7.44 4.84 0.00 3.94 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 45 N 8.42 5.01 0.00 2.66 2.72 0.00 0.00 7.02 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 4.57 0.00 2.22 2.04 0.00 3.82 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 47 P 0.00 4.69 0.00 1.95 2.02 0.00 3.66 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 48 K 8.55 4.59 0.00 1.66 1.70 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 49 C 9.55 5.64 0.00 2.83 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 50 Q 9.16 5.16 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 51 C 8.81 5.04 0.00 2.92 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 9.52 4.27 0.00 2.96 3.09 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 0.00 0.00 0.00 0.00 53 D 8.23 4.61 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.81 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 1.18 0.00 0.00 55 Q 8.96 4.42 0.00 1.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.01 1.68 0.00 56 K 8.31 4.73 0.00 1.77 1.67 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 0.98 7.81 57 F 7.00 4.90 0.00 2.97 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 58 C 8.56 4.85 0.00 3.01 3.07 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 0.00 0.00 0.00 59 Y 8.39 4.67 0.00 2.94 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 60 K 8.83 4.47 0.00 1.88 1.98 0.00 1.54 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.53 7.81 61 Q 8.55 5.13 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.98 0.00 0.00 0.00 0.00 0.00 2.28 1.81 0.00 62 C 9.17 4.49 0.00 2.96 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.78 0.00 2.79 2.96 0.00 7.35 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.41 4.35 0.00 2.82 2.72 0.00 0.00 6.48 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 7.63 4.80 0.00 3.54 3.61 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 0.00 0.00 0.00 66 E 8.67 4.48 0.00 2.06 2.03 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 2.21 2.28 0.00 67 L 8.33 4.49 0.00 1.75 1.82 0.93 0.61 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 68 E 7.66 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 8.27 4.67 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 4.12 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 1.41 0.95 0.91 0.00 0.00 72 K 8.42 4.33 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 73 N 8.19 4.59 0.00 2.82 2.82 0.00 0.00 6.18 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.