NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.8675 8.0132 120.2555 56.3417 32.2347 177.3568 2 M 3.9338 7.9746 117.6693 57.5677 31.6924 176.4171 3 K 4.0856 8.7711 120.0266 58.6494 33.0285 178.5049 4 Q 4.1558 7.9677 118.3521 59.1326 28.7867 178.1401 5 I 3.8330 7.4739 120.0478 64.4240 37.1956 178.3435 6 E 4.0625 8.0403 119.6205 59.1815 29.2959 178.8794 7 D 4.3843 7.8526 119.1784 57.1915 40.8648 178.8382 8 K 3.9228 7.7092 118.7165 59.4567 32.1771 178.7163 9 L 3.9710 7.8847 119.3001 58.1385 41.4743 179.5441 10 E 3.9855 8.1141 117.8549 59.1790 29.4402 178.9765 11 E 3.9266 8.1606 119.5360 59.2904 29.6726 178.9202 12 I 3.7091 8.2600 120.2330 64.2830 37.1462 178.3766 13 L 3.7317 8.1500 120.0840 57.7535 41.4275 179.6893 14 S 4.3016 8.2895 115.2739 61.6796 62.8486 176.7922 15 K 4.0113 8.1245 122.1705 59.3916 31.8637 178.8801 16 L 3.9666 7.9334 119.5327 57.7410 41.4725 178.9442 17 Y 4.2843 7.5982 116.6993 61.4948 37.7687 178.0786 18 H 4.1591 8.2926 118.9865 59.5917 29.8007 177.3211 19 I 3.7395 7.9578 121.4078 64.3080 37.0438 178.1728 20 E 3.9751 8.6530 119.9375 59.6311 29.2602 179.2618 21 N 4.4262 8.7581 116.8689 56.1245 38.6901 177.4639 22 E 4.0188 8.3967 120.5583 59.3196 29.5924 179.5263 23 G 3.6471 8.4454 105.8866 47.7308 0.0000 175.6166 24 A 4.0611 7.9240 122.8240 54.7391 18.3182 179.6474 25 R 3.8552 8.1065 116.7692 59.7229 30.2262 179.0922 26 I 3.6742 7.5799 118.7275 64.2662 37.1426 178.3031 27 K 3.8632 8.0733 120.1656 59.6434 31.8481 178.8506 28 K 3.9629 8.0103 117.3202 60.0590 32.0245 178.5186 29 L 3.9277 8.1923 118.2648 57.5292 41.5029 178.7992 30 L 4.1774 8.1531 120.8342 57.8092 43.3093 179.6793 31 G 3.8523 7.9365 108.1875 44.1483 0.0000 174.1311 *32 E 4.1718 7.8099 118.3754 56.2565 30.5318 177.5209 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 8.01 4.87 0.00 1.86 1.99 0.00 3.19 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 2 M 7.97 3.93 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 3 K 8.77 4.09 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.47 7.81 4 Q 7.97 4.16 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 5 I 7.47 3.83 2.07 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 0.84 0.91 0.00 0.00 6 E 8.04 4.06 0.00 2.14 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 2.39 0.00 7 D 7.85 4.38 0.00 2.81 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 7.71 3.92 0.00 1.98 1.79 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 9 L 7.88 3.97 0.00 1.90 1.71 0.92 0.92 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 10 E 8.11 3.99 0.00 2.02 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 2.55 2.47 0.00 11 E 8.16 3.93 0.00 2.26 2.12 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 2.30 2.35 0.00 12 I 8.26 3.71 2.02 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 1.50 0.49 0.86 0.00 0.00 13 L 8.15 3.73 0.00 1.77 1.56 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.29 4.30 0.00 4.03 3.98 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 15 K 8.12 4.01 0.00 2.12 1.78 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.53 7.81 16 L 7.93 3.97 0.00 1.61 1.53 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.60 4.28 0.00 3.16 2.93 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 18 H 8.29 4.16 0.00 3.32 3.55 0.00 5.78 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 I 7.96 3.74 1.87 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 1.55 0.72 0.91 0.00 0.00 20 E 8.65 3.98 0.00 2.37 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 0.00 2.36 2.37 0.00 21 N 8.76 4.43 0.00 2.85 2.85 0.00 0.00 7.03 7.64 0.00 0.00 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 8.40 4.02 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 2.19 2.34 0.00 23 G 8.45 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.06 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 8.11 3.86 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 26 I 7.58 3.67 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 1.40 0.70 0.91 0.00 0.00 27 K 8.07 3.86 0.00 2.00 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 28 K 8.01 3.96 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.63 7.81 29 L 8.19 3.93 0.00 1.80 1.65 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.15 4.18 0.00 1.77 1.77 0.92 1.00 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 31 G 7.94 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 7.81 4.17 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.