NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 H 4.7547 8.3033 117.3743 54.8712 30.8213 175.3306 -3 T 3.8950 7.8224 116.7566 65.3127 68.6442 174.7903 -2 L 3.8849 8.1284 121.9313 58.3785 42.3895 178.2524 -1 K 3.8415 8.1510 118.5678 60.0593 31.9742 178.5816 0 T 3.9304 7.8002 115.6394 66.1813 68.4842 176.4668 1 A 4.0432 8.3603 123.0805 55.5583 18.2572 179.4556 2 N 4.4264 8.4015 114.9738 56.2579 38.8381 177.9221 3 S 4.2321 8.3263 115.8203 61.4074 63.2982 175.9170 4 Y 4.1165 8.3205 123.3095 60.6882 38.4320 178.1228 5 T 3.8141 8.1700 116.7488 66.6347 68.4560 176.1793 6 D 4.3178 8.3309 121.1678 57.4258 40.8713 179.2801 7 V 3.5515 7.8961 118.8306 66.2106 31.6087 178.1998 8 T 3.7038 7.3485 109.1237 64.7564 68.4004 176.6031 9 V 3.5305 7.9118 121.2766 65.4865 31.6268 177.9158 10 S 4.0316 7.7520 113.0843 61.6360 62.3872 175.9821 11 N 4.3374 8.0630 119.0179 56.1537 38.1055 177.4531 12 S 4.0321 7.9462 114.6813 61.5878 62.5380 176.1290 13 T 3.8361 8.0652 118.6596 66.8369 68.2555 176.6885 14 K 3.9799 7.8981 119.8219 59.2464 32.0379 179.4047 15 K 3.9152 8.0268 119.5313 59.4557 32.1529 178.7904 16 A 4.0129 8.2016 121.2064 55.2695 18.2513 179.7215 17 I 3.7344 7.7454 118.3970 64.1142 37.1056 178.7309 18 R 3.9005 8.0093 119.7814 59.4436 30.0370 178.3544 19 E 4.0077 8.2395 118.3904 59.4311 29.3251 179.6821 20 S 4.1339 8.2368 115.1532 61.7540 62.9975 176.3907 21 N 4.3234 8.2952 119.2203 56.4776 38.2021 177.2461 22 Q 4.0885 8.3429 120.8972 59.0996 28.9700 177.8746 23 Y 4.0315 8.0140 120.6735 61.0192 38.8917 177.6433 24 T 3.8603 8.2496 117.0185 67.1610 68.5199 175.9715 25 D 4.2893 8.6755 120.5972 57.6381 40.3760 178.4282 26 H 4.1562 8.3464 118.9413 59.2213 29.9568 177.5472 27 K 3.7681 7.9715 120.4561 58.9150 31.8690 178.9184 28 F 4.1225 8.3437 121.2116 61.9362 39.2133 177.0393 29 H 4.2619 8.0635 115.2901 58.7730 28.5219 177.8924 30 Q 3.9253 7.5458 118.7308 59.0358 28.5701 178.8641 31 L 3.9693 7.6900 119.6071 57.4393 41.4482 179.4442 32 E 3.6499 8.1990 119.0780 59.3394 29.2879 178.4651 33 N 4.1063 8.2554 117.4657 57.1383 38.7768 176.7194 34 R 3.8877 7.6920 119.1203 59.2407 30.0893 178.3796 35 L 3.9766 8.3157 119.3493 57.8000 41.6685 179.1124 36 D 4.3303 8.3451 119.1775 57.4439 40.7450 179.0831 37 K 4.0537 7.8361 118.9986 58.8831 32.0331 179.3473 38 L 3.8823 7.6197 120.6676 58.1318 42.1704 178.6022 39 E 3.9102 8.4469 119.6725 59.0126 29.4551 178.5538 40 K 3.8712 7.8830 119.1692 59.7814 32.1705 178.8616 41 R 3.8826 7.9386 118.1862 59.2788 29.8425 178.8384 42 L 4.0859 8.0258 120.1518 57.9159 42.0192 178.9594 43 L 3.9515 7.8776 118.9448 57.6410 41.4391 179.1875 44 K 3.8787 8.3639 119.8199 59.2638 31.8895 178.2526 45 L 4.0966 7.4368 118.8998 57.3988 42.2368 178.3831 46 L 3.9727 8.1188 118.9440 57.9736 41.3758 179.4640 47 A 4.0733 8.2476 119.6955 54.6074 18.3137 179.1453 48 S 4.2672 7.7418 111.9234 61.6273 62.6591 175.2301 49 S 4.0314 8.5877 115.2703 62.0967 61.7240 175.7837 50 A 4.2708 8.3197 126.1719 54.7045 18.5602 178.9204 51 A 4.2275 7.6665 118.9872 54.2826 18.4323 178.8393 52 L 4.7085 8.0281 115.5019 54.4932 42.1109 177.2690 53 N 4.6065 7.7883 117.3305 52.1928 39.7777 174.6966 54 S 4.0755 8.1870 116.1671 58.3284 64.7923 172.7101 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 *-4 H 8.30 4.75 0.00 2.85 3.14 0.00 7.15 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.82 3.89 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 1.20 0.00 0.00 -2 L 8.13 3.88 0.00 1.71 1.69 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.15 3.84 0.00 1.86 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.56 7.81 0 T 7.80 3.93 4.37 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 1.21 0.00 0.00 1 A 8.36 4.04 1.36 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 2 N 8.40 4.43 0.00 2.93 2.89 0.00 0.00 6.77 6.99 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 3 S 8.33 4.23 0.00 4.09 4.14 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 4 Y 8.32 4.12 0.00 3.13 3.23 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 5 T 8.17 3.81 4.43 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 1.21 0.00 0.00 6 D 8.33 4.32 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.55 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 1.00 0.00 0.00 0.95 0.00 0.00 8 T 7.35 3.70 4.02 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 0.00 0.00 0.53 0.00 0.00 9 V 7.91 3.53 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 1.05 0.00 0.00 0.95 0.00 0.00 10 S 7.75 4.03 0.00 4.00 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 11 N 8.06 4.34 0.00 2.74 2.82 0.00 0.00 6.73 7.27 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 12 S 7.95 4.03 0.00 3.98 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 13 T 8.07 3.84 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 1.20 0.00 0.00 14 K 7.90 3.98 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 15 K 8.03 3.92 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 16 A 8.20 4.01 1.34 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 0.00 0.00 0.00 17 I 7.75 3.73 1.99 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 1.40 0.76 0.90 0.00 0.00 18 R 8.01 3.90 0.00 2.10 2.04 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 19 E 8.24 4.01 0.00 2.06 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 2.34 2.55 0.00 20 S 8.24 4.13 0.00 3.97 3.93 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 21 N 8.30 4.32 0.00 2.87 2.86 0.00 0.00 6.73 7.29 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 22 Q 8.34 4.09 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 23 Y 8.01 4.03 0.00 3.26 3.20 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 24 T 8.25 3.86 4.45 0.00 0.00 0.00 0.00 0.00 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 25 D 8.68 4.29 0.00 2.76 2.64 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 0.00 0.00 0.00 0.00 26 H 8.35 4.16 0.00 3.15 3.28 0.00 5.78 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 27 K 7.97 3.77 0.00 1.67 1.70 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.84 1.30 7.81 28 F 8.34 4.12 0.00 3.17 3.27 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 29 H 8.06 4.26 0.00 3.33 3.25 0.00 5.69 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 30 Q 7.55 3.93 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 L 7.69 3.97 0.00 1.71 1.58 0.90 0.75 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 32 E 8.20 3.65 0.00 1.80 1.79 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 1.47 1.96 0.00 33 N 8.26 4.11 0.00 2.74 2.98 0.00 0.00 6.95 7.20 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 34 R 7.69 3.89 0.00 2.07 1.85 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 35 L 8.32 3.98 0.00 1.74 1.65 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.35 4.33 0.00 2.82 2.68 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 37 K 7.84 4.05 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.65 7.81 38 L 7.62 3.88 0.00 1.83 1.82 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.45 3.91 0.00 2.10 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 0.00 2.29 2.31 0.00 40 K 7.88 3.87 0.00 1.87 1.92 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 41 R 7.94 3.88 0.00 2.15 1.97 0.00 3.16 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 42 L 8.03 4.09 0.00 1.76 1.81 0.92 0.49 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 43 L 7.88 3.95 0.00 1.96 1.69 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.36 3.88 0.00 1.92 1.99 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 45 L 7.44 4.10 0.00 1.84 1.81 0.92 0.57 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 46 L 8.12 3.97 0.00 1.85 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.25 4.07 1.34 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 0.00 0.00 0.00 48 S 7.74 4.27 0.00 4.00 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 49 S 8.59 4.03 0.00 4.06 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 50 A 8.32 4.27 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 51 A 7.67 4.23 1.40 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 0.00 0.00 0.00 52 L 8.03 4.71 0.00 1.89 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.79 4.61 0.00 2.61 2.71 0.00 0.00 7.08 8.90 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 54 S 8.19 4.08 0.00 4.05 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 0.00 * Residues marked with a * may have inaccurate shift predictions.