NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3472 8.1127 119.0726 56.4636 32.3387 177.3772 2 M 3.8777 8.0379 116.8054 57.7707 32.1557 176.4249 3 K 4.0699 8.7747 120.5883 59.6123 32.8968 177.9851 4 Q 3.9997 8.0801 117.7992 59.1390 28.6760 178.9125 5 L 4.0086 8.1633 119.9652 57.7325 41.6301 179.4086 6 E 3.9570 8.3582 118.5878 59.6098 29.3633 179.0329 7 D 4.3694 8.4250 119.2507 57.4155 40.8699 178.9781 8 K 3.9502 8.0906 120.0549 59.1299 32.0886 179.0043 9 V 3.5517 7.8873 118.6823 66.1673 31.2337 177.8255 10 E 3.9217 8.0183 116.7522 59.3124 29.3512 178.6888 11 E 4.0705 8.2502 118.5873 59.4456 29.9661 178.6744 12 L 4.1672 8.0269 118.9874 57.3618 41.5004 179.5240 13 L 3.9150 7.8984 117.0707 55.7889 41.6927 178.5527 *15 K 4.2720 7.9790 118.5072 56.1686 34.1683 178.0044 16 N 4.3559 8.3928 116.4204 56.5215 38.3397 177.1416 17 Y 4.5076 8.1379 118.3889 61.3626 37.9477 177.9785 18 H 4.1886 8.3760 118.7486 59.4138 29.9100 177.1909 19 L 4.0004 8.0791 120.7570 57.7005 41.4446 179.2904 20 E 3.9909 8.6567 119.0675 59.4305 29.3999 179.1221 21 N 4.3419 8.3569 116.5495 56.3227 38.5442 177.2496 22 E 3.9251 8.1364 119.9354 59.4399 29.4686 179.6232 23 V 3.5477 8.0944 118.2234 65.7895 31.5894 177.8691 24 A 3.9582 8.0702 120.5183 55.2152 18.3552 179.5239 25 R 3.8401 7.9742 117.1443 59.6953 30.0707 178.7782 26 L 4.0538 8.1839 118.8634 57.6106 41.6423 179.5583 27 K 3.9794 8.4216 118.9471 59.1526 31.7026 179.2589 28 K 3.9335 7.9227 119.1823 59.4337 32.4156 178.5126 29 L 4.3602 7.7634 120.3302 57.2267 41.6000 179.4058 30 V 3.6605 8.1516 118.6827 66.2836 31.1804 178.2136 31 G 3.7278 7.9496 103.6716 47.8764 0.0000 174.8675 32 E 4.2227 8.1721 119.6184 57.8274 29.4390 177.1483 33 R 4.1584 7.6296 122.1709 56.3137 30.2598 176.1135 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 4.35 0.00 1.75 2.01 0.00 3.22 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 2 M 8.04 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 3 K 8.77 4.07 0.00 1.95 1.78 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.10 7.81 4 Q 8.08 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 L 8.16 4.01 0.00 1.84 1.71 0.92 1.13 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 6 E 8.36 3.96 0.00 2.16 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 2.33 2.48 0.00 7 D 8.43 4.37 0.00 2.84 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 8.09 3.95 0.00 2.02 1.92 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.31 7.81 9 V 7.89 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 10 E 8.02 3.92 0.00 2.15 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 2.35 2.45 0.00 11 E 8.25 4.07 0.00 2.01 2.13 0.00 0.00 0.00 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 12 L 8.03 4.17 0.00 1.80 1.65 0.90 0.37 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 13 L 7.90 3.91 0.00 1.65 1.71 0.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 7.98 4.27 0.00 2.04 1.89 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 16 N 8.39 4.36 0.00 2.70 2.76 0.00 0.00 7.06 8.16 0.00 0.00 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 Y 8.14 4.51 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.19 0.00 3.23 3.54 0.00 5.67 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 8.08 4.00 0.00 1.91 1.70 0.94 1.01 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 20 E 8.66 3.99 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 21 N 8.36 4.34 0.00 2.88 2.85 0.00 0.00 7.03 7.28 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 22 E 8.14 3.93 0.00 2.11 1.96 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 2.27 2.32 0.00 23 V 8.09 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 24 A 8.07 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.84 0.00 1.90 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 L 8.18 4.05 0.00 1.72 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.42 3.98 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 K 7.92 3.93 0.00 1.89 1.98 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 L 7.76 4.36 0.00 1.97 1.70 0.92 0.64 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 8.15 3.66 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 31 G 7.95 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.17 4.22 0.00 2.21 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 2.32 2.55 0.00 33 R 7.63 4.16 0.00 1.95 1.83 0.00 3.19 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 1.64 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.