NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2598 8.1127 120.8598 56.0885 32.7662 176.7643 2 M 3.7780 8.0356 116.1826 58.1372 32.2503 177.1510 3 K 3.9912 8.8229 120.6388 59.3679 32.8393 178.2963 4 Q 3.9634 7.9552 117.9918 58.8817 28.6871 177.9979 5 L 3.9167 7.9684 121.2115 58.3762 42.2983 178.6348 6 E 3.9173 8.2620 118.3889 59.7857 29.4169 179.2349 7 D 4.5448 8.2109 118.4205 56.7343 41.0480 178.8781 8 K 4.0721 8.0440 119.3010 59.1290 32.0539 179.4510 9 V 3.6849 8.1504 118.9550 65.4561 31.3042 177.6702 10 E 3.9936 7.7282 118.0761 58.6692 29.5105 177.8999 11 E 3.9080 8.1215 119.5258 59.4141 29.4400 178.8351 12 L 3.9934 7.5588 117.0779 57.9577 41.7998 179.2577 13 L 4.1527 7.7553 117.4923 57.9438 41.8228 179.0016 14 S 4.2656 8.3625 113.2205 61.3686 62.2116 178.1055 15 K 4.0069 8.1519 120.0268 56.5921 32.3566 178.6319 *17 Y 4.5814 7.8594 120.9005 58.1065 40.5617 176.1906 18 H 4.0213 8.3980 118.6673 59.3452 29.8638 176.7527 19 L 3.8565 8.1583 120.8514 58.1562 41.4974 179.5393 20 E 3.9328 8.0934 117.5107 59.4156 29.4596 179.1226 21 N 4.1496 7.7558 115.8604 56.2924 38.6622 177.1186 22 E 3.8461 8.1389 120.1685 59.5617 29.4535 179.7133 23 V 3.5310 8.0888 118.1386 65.9173 31.6703 177.7413 24 A 3.9539 8.0849 120.5682 55.2651 18.1192 179.6581 25 R 3.8649 7.8931 116.9529 59.5665 29.8263 178.6664 26 L 3.9423 7.9797 118.7287 57.6279 41.6771 179.3474 27 K 3.9320 7.7983 117.7404 58.2384 31.7367 179.2905 28 K 4.1136 7.5029 118.4115 58.9331 31.9889 179.1435 29 L 4.0306 8.1064 118.2000 56.7591 41.6257 177.8472 30 V 4.1576 7.2772 115.4670 61.8951 32.3291 176.2871 31 G 3.9842 7.8456 106.4669 46.1161 0.0000 173.9665 32 E 4.2457 7.4074 118.6204 55.9443 30.2428 177.0859 33 R 4.2023 8.2863 117.2536 56.4033 29.6817 175.2113 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 1 R 8.11 4.26 0.00 1.86 1.89 0.00 3.17 0.00 0.00 3.33 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 8.04 3.78 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.69 0.00 3 K 8.82 3.99 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.59 7.81 4 Q 7.96 3.96 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 5 L 7.97 3.92 0.00 1.76 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.26 3.92 0.00 2.17 2.00 0.00 0.00 0.00 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 2.40 0.00 7 D 8.21 4.54 0.00 2.90 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 8 K 8.04 4.07 0.00 2.07 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 V 8.15 3.68 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 0.99 0.00 0.00 0.98 0.00 0.00 10 E 7.73 3.99 0.00 2.13 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 2.28 2.29 0.00 11 E 8.12 3.91 0.00 2.09 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 0.00 2.32 2.37 0.00 12 L 7.56 3.99 0.00 1.87 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.76 4.15 0.00 1.77 1.73 0.91 0.73 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 14 S 8.36 4.27 0.00 3.95 4.08 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 15 K 8.15 4.01 0.00 1.86 1.86 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.70 7.81 *17 Y 7.86 4.58 0.00 3.11 3.28 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 18 H 8.40 4.02 0.00 3.34 3.49 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.16 3.86 0.00 1.79 1.70 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.09 3.93 0.00 2.06 1.92 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 2.38 2.39 0.00 21 N 7.76 4.15 0.00 2.66 2.67 0.00 0.00 7.03 6.94 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 22 E 8.14 3.85 0.00 1.98 1.92 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 2.21 2.21 0.00 23 V 8.09 3.53 2.12 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 0.98 0.00 0.00 0.95 0.00 0.00 24 A 8.08 3.95 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 25 R 7.89 3.86 0.00 2.02 2.01 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 26 L 7.98 3.94 0.00 1.92 1.69 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.80 3.93 0.00 1.73 2.04 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 28 K 7.50 4.11 0.00 2.04 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 29 L 8.11 4.03 0.00 1.75 1.73 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.28 4.16 2.25 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 0.77 0.00 0.00 0.92 0.00 0.00 31 G 7.85 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 0.00 0.00 0.00 32 E 7.41 4.25 0.00 2.09 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 2.34 2.38 0.00 33 R 8.29 4.20 0.00 1.85 1.83 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.