NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1739 8.1127 119.7066 56.0970 31.8475 176.5909 *3 K 4.0810 8.8188 128.1208 57.6434 33.5255 177.6079 4 Q 4.3782 7.3602 116.6340 56.3705 28.2202 178.2775 *6 E 4.2802 8.3569 118.0475 56.7452 31.6845 177.4362 7 D 4.4864 8.6018 118.6911 57.3481 40.9224 178.3277 8 K 4.2796 7.7875 118.5723 56.9645 32.3613 177.7213 *10 E 4.4324 8.3740 117.8257 56.1649 31.3236 178.2450 11 E 4.2392 8.0311 117.4459 56.6814 29.2505 178.1245 *13 L 4.0072 8.0321 119.1222 54.6721 43.9679 177.9107 14 S 4.5193 8.2799 112.8232 61.5004 62.4249 177.1353 15 K 4.5157 8.0630 119.1712 56.8533 31.5078 178.0837 *17 Y 4.9546 8.0654 117.8148 58.6968 39.8119 177.1824 18 H 4.7597 8.3603 117.5540 56.7736 29.6083 176.4187 *20 E 4.2248 8.2946 119.4146 55.7865 31.3148 176.4601 21 N 4.4927 8.4648 117.1477 56.7628 39.0666 176.6252 22 E 4.3237 8.1198 117.3280 56.5685 29.6527 177.6554 *24 A 4.4010 8.1954 120.3912 52.0074 20.4386 180.6984 25 R 4.1916 7.9127 113.7030 56.9039 29.6129 178.2831 *27 K 4.1637 8.1626 117.5697 55.8769 33.8098 176.7656 28 K 4.0748 8.3397 118.4731 59.5502 32.2446 179.9291 29 L 4.1114 8.0844 120.5926 55.0340 40.9736 178.3530 *31 G 3.9312 8.0886 105.4458 44.3413 0.0000 173.5137 32 E 4.2612 8.1813 124.3967 56.4203 29.8209 175.6833 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 4.17 0.00 2.02 1.08 0.00 3.12 0.00 0.00 3.33 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 *3 K 8.82 4.08 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 4 Q 7.36 4.38 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 *6 E 8.36 4.28 0.00 2.11 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 2.22 2.34 0.00 7 D 8.60 4.49 0.00 2.83 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 8 K 7.79 4.28 0.00 1.86 1.79 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 *10 E 8.37 4.43 0.00 2.28 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 2.32 2.27 0.00 11 E 8.03 4.24 0.00 2.15 2.10 0.00 0.00 0.00 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 2.26 0.00 *13 L 8.03 4.01 0.00 1.64 1.99 0.74 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.28 4.52 0.00 4.00 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 8.06 4.52 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.59 7.81 *17 Y 8.07 4.95 0.00 3.28 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 18 H 8.36 4.76 0.00 3.30 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.29 4.22 0.00 2.09 2.17 0.00 0.00 0.00 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 2.33 0.00 21 N 8.46 4.49 0.00 3.05 3.06 0.00 0.00 6.99 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 E 8.12 4.32 0.00 2.06 1.91 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 2.30 2.30 0.00 *24 A 8.20 4.40 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.19 0.00 2.01 2.09 0.00 3.14 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 *27 K 8.16 4.16 0.00 1.79 2.00 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 K 8.34 4.07 0.00 1.83 2.01 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.38 7.81 29 L 8.08 4.11 0.00 1.76 1.61 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.09 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 0.00 0.00 0.00 32 E 8.18 4.26 0.00 2.10 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 2.23 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.