NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6589 8.2827 119.2046 53.6816 39.8327 174.5751 4 K 3.6870 8.4826 114.2460 57.6190 32.1674 177.9261 5 R 3.9160 8.6998 119.2427 59.5095 30.8191 176.9006 6 N 4.5458 7.7927 115.8268 55.3951 38.7574 177.3879 7 V 3.8490 7.5890 119.2312 65.3466 31.6238 177.3098 8 E 4.1590 8.1951 116.9105 58.0730 28.3383 178.0557 9 L 4.2346 7.4787 119.4030 56.9112 40.7937 177.6643 10 L 4.1054 7.7556 116.8963 55.4979 41.7445 177.5712 11 A 3.9611 7.8033 119.0108 52.7164 19.3817 177.5588 12 T 4.3255 7.5831 110.5871 62.6687 68.3474 176.0414 13 L 4.1566 7.3863 121.2043 57.5185 41.6349 179.1355 14 K 4.0783 7.5955 117.4127 58.7647 31.7468 178.9513 15 E 3.9683 7.7304 118.9282 59.1319 29.3085 178.4890 16 N 4.3601 7.9907 115.4542 55.9616 39.0320 176.8170 17 L 4.1054 7.7085 121.8315 58.1360 42.2230 178.6639 18 E 3.9800 8.2506 118.5497 59.5624 29.2972 179.3668 19 R 4.0337 7.6744 115.1885 57.8856 30.1272 177.6349 20 A 4.5453 7.8093 119.5012 50.3536 20.2481 177.5572 21 Q 4.2240 8.6079 113.7213 56.0897 29.9017 176.7922 22 G 3.4529 9.7165 114.2228 47.4723 0.0000 174.6787 *56 N 4.7645 9.1688 122.2128 53.3153 41.7808 176.7166 57 T 4.0864 7.7019 114.2088 65.8428 68.4638 176.5027 58 L 4.1548 7.8224 121.4167 57.4808 41.9810 178.6015 59 I 3.8559 7.5054 118.7527 63.9525 37.1595 177.5305 60 R 4.0834 7.6495 118.9919 58.8716 29.8324 178.5470 61 L 4.0904 7.5958 117.9110 57.4116 41.5377 178.2773 62 A 4.4409 7.4453 116.8795 52.6886 18.7722 178.0287 63 L 4.3063 7.4882 119.3794 56.5753 42.5059 178.1265 64 K 4.2257 7.5747 115.4991 57.5302 32.4321 177.5539 65 E 4.3520 8.0498 117.3158 56.2958 30.1036 175.4667 66 L 4.7718 6.7117 117.1595 54.7223 44.2099 175.9759 67 G 3.7795 7.9172 111.6677 46.5198 0.0000 173.0818 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 N 8.28 4.66 0.00 2.77 2.72 0.00 0.00 6.72 5.87 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 4 K 8.48 3.69 0.00 1.94 1.77 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.55 7.81 5 R 8.70 3.92 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 6 N 7.79 4.55 0.00 2.79 2.84 0.00 0.00 6.55 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 7 V 7.59 3.85 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 1.07 0.00 0.00 0.96 0.00 0.00 8 E 8.20 4.16 0.00 1.98 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 2.51 0.00 9 L 7.48 4.23 0.00 1.76 1.87 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.76 4.11 0.00 1.74 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.80 3.96 1.33 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 0.00 0.00 0.00 12 T 7.58 4.33 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 1.29 0.00 0.00 13 L 7.39 4.16 0.00 1.89 1.69 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.60 4.08 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.58 7.81 15 E 7.73 3.97 0.00 2.08 2.15 0.00 0.00 0.00 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 2.34 0.00 16 N 7.99 4.36 0.00 2.84 2.86 0.00 0.00 6.85 7.85 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 17 L 7.71 4.11 0.00 1.84 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.25 3.98 0.00 2.17 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 2.35 2.51 0.00 19 R 7.67 4.03 0.00 1.77 1.99 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 20 A 7.81 4.55 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.22 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 22 G 9.72 3.45 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 0.00 0.00 0.00 0.00 *56 N 9.17 4.76 0.00 2.79 2.92 0.00 0.00 6.82 7.05 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 57 T 7.70 4.09 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 1.21 0.00 0.00 58 L 7.82 4.15 0.00 1.71 1.66 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.51 3.86 2.01 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 1.52 0.65 0.91 0.00 0.00 60 R 7.65 4.08 0.00 2.01 1.91 0.00 3.09 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 L 7.60 4.09 0.00 1.84 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.45 4.44 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 63 L 7.49 4.31 0.00 2.06 1.76 0.92 0.39 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 64 K 7.57 4.23 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.65 7.81 65 E 8.05 4.35 0.00 1.95 1.95 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 2.23 2.29 0.00 66 L 6.71 4.77 0.00 1.73 1.67 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.92 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 * Residues marked with a * may have inaccurate shift predictions.