NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1613 8.0544 114.0113 61.4207 33.6219 173.6933 4 V 4.1113 8.5455 122.3230 60.6505 33.3461 169.2920 5 V 4.6168 9.2077 129.3551 61.4789 33.1062 174.6404 6 L 4.4584 8.8811 130.3461 53.4488 42.4817 176.3064 7 E 4.7494 8.7238 124.0651 56.2857 30.5720 176.7366 8 A 4.6860 9.0008 125.5608 50.4654 22.5403 177.7510 9 K 4.0485 8.7405 121.6707 59.3494 32.8887 177.5041 10 N 4.5876 8.4629 115.0106 52.0780 37.8445 173.0514 11 G 3.6544 7.8043 106.3294 43.8728 0.0000 173.6711 12 N 4.8017 8.8427 122.8343 53.5007 40.2817 173.8402 13 V 4.8508 8.6095 121.3349 60.7202 34.2248 174.3560 14 T 4.9579 8.5979 124.5805 62.1930 69.8956 173.5829 15 F 4.6522 9.2883 130.1838 56.3377 41.6946 173.6661 16 D 4.7906 7.4311 125.4179 52.5352 42.9205 176.0680 17 H 4.0550 8.8350 124.3362 58.7253 29.3359 177.6919 18 K 3.8894 7.9778 120.7630 59.4541 31.9918 178.5907 19 K 4.1744 7.8110 116.1892 58.3986 32.0390 177.2596 20 H 4.7758 7.9203 114.5116 55.1566 29.2951 174.1328 21 A 4.3455 7.5547 121.8055 53.1703 18.8383 177.8418 22 G 3.7766 8.8909 107.4703 47.2033 0.0000 174.0941 23 V 4.4727 7.3009 110.1420 58.3641 34.6306 175.8854 24 K 4.0778 8.4167 123.5421 58.0479 32.5546 177.3829 25 G 4.0135 8.8107 114.4172 44.3996 0.0000 174.3619 26 E 3.6326 7.9722 120.7049 56.9960 30.8294 176.8520 27 C 4.2059 8.9377 112.3050 62.7415 27.3083 175.0383 28 K 5.1284 8.4858 116.2575 56.8429 31.8484 178.7001 29 A 4.2235 8.1231 122.7800 54.5575 18.4520 178.3205 30 C 5.0116 7.6717 107.6919 59.9380 31.0218 173.9733 31 H 5.0608 8.1783 115.9660 53.4954 30.8584 175.1329 32 E 3.9843 9.0063 123.1189 58.7097 29.8802 176.8625 32A T 4.7464 7.4862 106.7285 59.0508 71.7801 174.1971 33 E 3.9599 8.7645 122.1540 58.9740 29.7827 177.9102 34 A 3.9585 7.6532 120.6811 52.7008 18.7139 178.5573 35 G 3.5188 7.4164 104.2589 44.8178 0.0000 172.3818 36 G 3.9358 7.8068 104.9641 44.4599 0.0000 172.4105 37 K 4.0096 7.9994 118.8857 56.4790 32.6697 177.2585 38 I 4.1721 7.7504 121.3913 59.1891 37.7567 176.2724 39 A 3.9260 8.6144 129.6287 55.0333 18.3114 178.4901 40 G 3.9048 7.8643 101.5680 46.1297 0.0000 173.4973 41 M 3.5555 7.6634 120.8102 54.3907 32.7753 176.1741 42 G 3.9025 8.1493 111.7406 44.9124 0.0000 172.1798 43 K 3.6916 8.2167 118.9298 59.8159 31.6975 178.9208 44 D 4.3539 8.0626 118.4500 57.0217 40.7542 178.4530 45 W 3.9581 8.1954 128.0608 60.4523 30.9016 177.7837 46 A 4.3167 8.4777 120.9290 55.6665 17.7259 179.0949 47 H 4.5015 8.2563 112.5617 57.8000 29.2129 177.1992 48 K 4.1048 7.7194 122.1439 59.1136 32.2983 178.6172 49A T 3.5412 7.9542 115.8452 66.2846 68.6268 176.6034 *51 C 4.4849 7.7977 117.0951 60.1901 30.4261 176.2379 52 T 4.0104 7.8600 115.6451 66.4125 67.9516 176.9678 53 G 3.6174 7.8819 107.3542 48.0697 0.0000 175.3256 54 C 4.1531 7.8467 121.0043 62.3525 31.5380 175.1959 55 H 4.8552 7.9159 118.7158 58.4569 28.0544 177.9661 56 K 4.0354 8.0354 119.3215 59.3587 31.9532 178.7376 57 E 4.0648 8.0784 118.7713 59.1923 29.6773 178.0754 58 M 4.3583 8.3100 116.7734 54.6739 32.4502 176.7204 59 G 4.0128 7.8593 106.3021 46.0360 0.0000 173.6038 60 K 4.4627 7.7519 117.1973 55.4651 36.0238 177.0768 61 G 4.0334 8.6998 107.6728 44.1014 0.0000 171.1897 62 P 4.5536 0.0000 0.0000 62.8750 31.6686 176.3783 63 T 4.5918 8.9441 110.5457 60.8042 70.4237 173.8785 64 K 4.6342 7.9128 121.8178 54.6135 34.6729 176.5723 65 C 3.9992 8.9636 120.1024 63.2934 28.0574 176.7703 66 G 3.7859 7.9788 105.1616 46.8085 0.0000 174.5196 67 E 4.1107 8.1091 119.4371 58.9919 29.7957 177.8567 68 C 4.3314 8.1658 115.6228 61.8049 29.0124 173.2478 69 H 4.9395 8.3492 119.1190 54.3634 28.4667 175.9025 70 K 4.2212 8.5704 123.7562 56.5416 32.6563 176.2247 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 V 8.05 4.16 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 0.94 0.00 0.00 4 V 8.55 4.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.08 0.00 0.00 5 V 9.21 4.62 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 0.87 0.00 0.00 0.95 0.00 0.00 6 L 8.88 4.46 0.00 1.61 1.56 0.83 0.52 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 7 E 8.72 4.75 0.00 1.85 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 2.31 0.00 8 A 9.00 4.69 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.05 0.00 1.88 1.96 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 N 8.46 4.59 0.00 2.79 2.91 0.00 0.00 6.11 7.00 0.00 0.00 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 G 7.80 3.65 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 0.00 0.00 0.00 12 N 8.84 4.80 0.00 2.68 2.77 0.00 0.00 6.58 7.68 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 13 V 8.61 4.85 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 1.34 0.00 0.00 0.82 0.00 0.00 14 T 8.60 4.96 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 15 F 9.29 4.65 0.00 3.11 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 16 D 7.43 4.79 0.00 2.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.06 0.00 3.33 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.98 3.89 0.00 1.72 1.89 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 K 7.81 4.17 0.00 1.74 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 20 H 7.92 4.78 0.00 3.27 3.47 0.00 5.85 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 21 A 7.55 4.35 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.30 4.47 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 0.80 0.00 0.00 1.02 0.00 0.00 24 K 8.42 4.08 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 G 8.81 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 26 E 7.97 3.63 0.00 2.18 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 2.26 2.35 0.00 27 C 8.94 4.21 0.00 3.08 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 28 K 8.49 5.13 0.00 2.02 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.38 7.81 29 A 8.12 4.22 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 30 C 7.67 5.01 0.00 2.89 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 31 H 8.18 5.06 0.00 3.42 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.01 3.98 0.00 1.97 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 2.33 0.00 32A T 7.49 4.75 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 33 E 8.76 3.96 0.00 1.96 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 0.00 2.30 2.33 0.00 34 A 7.65 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 3.52 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 0.00 0.00 0.00 36 G 7.81 3.94 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 0.00 37 K 8.00 4.01 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 38 I 7.75 4.17 1.36 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.30 0.00 0.00 39 A 8.61 3.93 1.26 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 0.00 0.00 40 G 7.86 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 0.00 0.00 0.00 41 M 7.66 3.56 0.00 1.73 1.55 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 42 G 8.15 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 0.00 0.00 0.00 43 K 8.22 3.69 0.00 1.80 1.81 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 44 D 8.06 4.35 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.20 3.96 0.00 3.51 3.21 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 46 A 8.48 4.32 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.50 0.00 3.20 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.72 4.10 0.00 1.77 1.79 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.34 7.81 49A T 7.95 3.54 3.14 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 0.71 0.00 0.00 *51 C 7.80 4.48 0.00 3.19 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 52 T 7.86 4.01 4.40 0.00 0.00 0.00 0.00 0.00 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 53 G 7.88 3.62 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 0.00 0.00 0.00 54 C 7.85 4.15 0.00 3.00 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 55 H 7.92 4.86 0.00 3.41 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.04 4.04 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.62 7.81 57 E 8.08 4.06 0.00 2.10 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 2.32 2.40 0.00 58 M 8.31 4.36 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 59 G 7.86 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 60 K 7.75 4.46 0.00 1.72 1.61 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.36 7.81 61 G 8.70 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 0.00 0.00 0.00 62 P 0.00 4.55 0.00 2.23 2.08 0.00 3.36 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 63 T 8.94 4.59 4.26 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 1.31 0.00 0.00 64 K 7.91 4.63 0.00 1.83 1.75 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.71 7.81 65 C 8.96 4.00 0.00 3.01 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 66 G 7.98 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 0.00 0.00 0.00 67 E 8.11 4.11 0.00 2.18 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 0.00 2.35 2.29 0.00 68 C 8.17 4.33 0.00 2.94 2.88 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 69 H 8.35 4.94 0.00 3.31 3.42 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.57 4.22 0.00 1.73 1.66 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.