NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1210 7.8827 120.7861 61.0184 40.1663 177.4569 3 V 3.3551 7.6591 119.6358 64.8388 31.1529 174.4673 4 E 3.9063 8.7988 118.8656 59.5380 30.1599 177.9438 5 Q 4.1518 8.0508 116.2400 58.6465 28.9550 178.2921 6 C 4.6527 8.3516 116.0591 57.7785 41.2260 174.1185 7 C 4.2859 7.8926 118.3403 59.4843 31.6273 173.3638 *9 S 4.3911 7.5572 111.6290 58.2927 62.6387 172.1149 10 I 4.6825 8.2226 111.0236 59.3082 40.0360 173.2628 11 C 5.2281 8.4293 115.8639 53.0932 39.6519 173.9354 12 S 4.7661 8.9676 116.0927 57.2648 65.4718 175.3691 13 L 4.0145 8.2227 122.2622 57.9669 41.4538 179.0786 14 Y 4.2992 7.7287 116.5762 61.1546 37.8624 178.2449 15 Q 4.1025 8.2310 119.0700 58.8496 28.7515 178.6934 16 L 4.3252 7.9316 119.8411 57.6971 41.7657 179.1160 17 E 4.1015 8.0186 118.2677 58.7612 29.1188 178.5904 18 N 4.3970 7.8786 115.7579 55.0818 38.5402 175.0618 19 Y 4.5761 7.4987 116.4848 57.7488 38.5369 175.6691 20 C 4.4885 7.6113 117.8111 59.4557 29.1143 173.5372 21 N 4.5505 8.5318 117.5699 53.6485 38.3291 175.4129 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 2 I 7.88 4.12 1.09 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.66 0.00 0.00 3 V 7.66 3.36 2.06 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 1.08 0.00 0.00 0.88 0.00 0.00 4 E 8.80 3.91 0.00 1.99 1.97 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 2.30 2.47 0.00 5 Q 8.05 4.15 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 6 C 8.35 4.65 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 7 C 7.89 4.29 0.00 2.88 3.12 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 0.00 0.00 0.00 0.00 *9 S 7.56 4.39 0.00 3.90 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 10 I 8.22 4.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.92 0.00 0.00 11 C 8.43 5.23 0.00 3.24 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 12 S 8.97 4.77 0.00 4.17 4.11 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 0.00 0.00 0.00 13 L 8.22 4.01 0.00 1.31 1.59 0.81 0.80 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 14 Y 7.73 4.30 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.10 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 7.93 4.33 0.00 1.98 1.79 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.02 4.10 0.00 2.23 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 2.56 0.00 18 N 7.88 4.40 0.00 2.36 2.38 0.00 0.00 6.83 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.50 4.58 0.00 3.13 2.98 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 20 C 7.61 4.49 0.00 3.02 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 21 N 8.53 4.55 0.00 2.72 2.73 0.00 0.00 6.81 7.58 0.00 0.00 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.