NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2672 8.1127 120.8601 56.4904 32.3684 176.9988 2 M 3.8303 8.0905 117.0028 57.6164 31.7830 176.6144 3 K 3.8853 8.8452 120.8444 59.7442 33.1908 178.1218 4 Q 3.9140 8.0397 117.9022 59.2731 28.6490 179.9422 5 I 3.7155 7.6312 120.0135 64.4606 37.2183 178.2360 6 E 3.9726 8.0759 119.9518 59.1564 29.4087 178.4579 7 D 4.3909 8.7557 119.5543 57.2778 40.8524 178.9265 8 K 4.1840 7.9559 118.7566 59.3983 32.0539 179.4227 9 L 4.0384 8.1378 119.3964 57.8798 41.4887 179.4733 10 E 4.0637 8.4331 118.5932 59.2487 29.1393 179.1084 11 E 4.0016 7.9954 118.1088 59.4654 29.5586 179.1552 12 I 3.8739 7.6383 119.0054 64.3503 37.2383 178.1760 13 L 4.1438 7.7754 118.9121 57.3172 42.7483 179.3129 14 S 4.4595 7.8592 115.2429 58.9613 58.8740 173.6388 *16 Y 4.7650 7.4952 121.2784 58.4345 40.7054 178.0678 17 H 4.2450 8.2324 116.3952 58.9236 28.7633 177.5104 18 I 3.9082 7.6977 122.2763 63.8861 36.9633 177.8306 19 E 3.9671 8.2517 118.6971 59.8101 29.3637 179.2257 20 N 4.3692 8.5315 116.4206 56.3198 38.1487 177.3767 21 E 3.9653 8.7269 120.2876 59.3542 29.5601 179.2931 22 L 4.0021 8.3027 119.1275 57.9353 41.7053 179.3726 23 A 3.9923 8.1518 120.5969 55.3611 18.1578 179.7125 24 R 3.9018 7.9395 117.0007 59.4145 30.0522 178.8614 25 I 3.6938 8.0100 120.0916 64.1141 37.0368 178.0359 26 K 3.8275 8.1590 120.5961 59.5388 31.9594 178.6138 27 K 3.9184 7.8658 119.2069 59.6366 31.9555 178.8280 28 L 4.0710 8.0707 118.2611 57.5432 41.5987 178.8321 29 L 4.2861 8.0368 117.2304 55.4397 41.5999 177.7228 30 G 3.7618 7.5063 107.4113 45.0621 0.0000 173.3407 31 E 4.1329 8.2416 126.0256 56.3637 31.1469 173.9619 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 4.27 0.00 1.86 1.99 0.00 3.17 0.00 0.00 3.34 7.33 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 8.09 3.83 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 2.68 2.72 0.00 3 K 8.85 3.89 0.00 1.91 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.38 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.59 7.81 4 Q 8.04 3.91 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 5 I 7.63 3.72 2.04 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 1.41 0.65 0.91 0.00 0.00 6 E 8.08 3.97 0.00 2.22 1.94 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 0.00 2.31 2.35 0.00 7 D 8.76 4.39 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 0.00 2.00 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 9 L 8.14 4.04 0.00 1.85 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.43 4.06 0.00 2.00 2.01 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 2.34 2.51 0.00 11 E 8.00 4.00 0.00 2.18 2.02 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 2.35 2.45 0.00 12 I 7.64 3.87 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 1.51 0.65 0.89 0.00 0.00 13 L 7.78 4.14 0.00 1.93 1.81 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.86 4.46 0.00 4.02 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 *16 Y 7.50 4.77 0.00 2.99 2.99 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 0.00 0.00 0.00 17 H 8.23 4.24 0.00 3.22 3.36 0.00 5.65 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 18 I 7.70 3.91 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.09 0.90 0.00 0.00 19 E 8.25 3.97 0.00 2.28 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 0.00 2.40 2.37 0.00 20 N 8.53 4.37 0.00 2.95 2.90 0.00 0.00 7.10 7.73 0.00 0.00 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 E 8.73 3.97 0.00 2.15 2.01 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 2.34 2.49 0.00 22 L 8.30 4.00 0.00 1.89 1.73 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.15 3.99 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 24 R 7.94 3.90 0.00 1.98 2.18 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 I 8.01 3.69 2.00 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 1.41 0.64 0.91 0.00 0.00 26 K 8.16 3.83 0.00 1.82 1.95 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 27 K 7.87 3.92 0.00 1.94 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 28 L 8.07 4.07 0.00 1.91 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.04 4.29 0.00 1.89 1.72 0.92 1.15 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 30 G 7.51 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.24 4.13 0.00 2.10 1.94 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 0.00 2.21 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.