NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.9125 8.4545 109.7364 45.3961 0.0000 174.1257 *2 V 3.5819 8.3205 118.6128 63.8663 31.8186 177.5491 *3 I 3.8276 8.0064 118.6129 63.0825 36.8164 179.0375 *4 D 4.4416 8.9719 121.0610 58.7931 40.0406 184.6674 *5 T 3.7114 7.8038 116.4888 66.0634 68.9382 177.1187 *6 S 4.3598 8.8275 120.9062 63.1723 62.2980 177.8478 7 A 4.3935 7.9479 125.6219 55.4320 18.4162 180.6275 *8 V 3.6695 7.8266 120.3453 66.7929 31.6959 181.9762 *9 E 4.2371 8.4091 121.7476 61.9672 29.3099 182.0197 *10 S 4.3342 7.8029 119.3194 63.2617 62.2691 178.3560 11 A 4.2828 8.0300 126.6819 55.4622 18.0563 180.2650 *12 I 3.6726 8.2621 121.7148 66.2378 35.4523 181.9239 *13 T 4.0011 8.1572 118.8778 66.6220 68.1135 178.5666 *14 D 4.9437 7.9594 123.9305 58.4656 40.0311 181.0064 15 G 4.1398 9.2759 110.0785 48.5018 0.0000 176.1645 *16 Q 4.1477 7.9332 122.1675 59.1848 28.5458 181.0480 17 G 4.4178 8.7797 112.4195 48.0847 0.0000 176.3208 *18 D 4.5786 9.1702 127.2863 58.0477 39.7467 180.9456 *19 M 4.3416 8.0412 122.2685 60.9328 31.4222 184.4545 *20 K 4.1998 7.7611 123.9564 59.5328 31.8054 180.8206 21 A 4.2839 7.7779 123.6812 55.7015 18.2255 180.5145 *22 I 3.8316 7.7464 118.7185 65.1488 35.5641 180.7921 23 G 3.9257 8.2702 107.8904 47.4481 0.0000 176.2113 24 G 3.5866 8.3194 110.5195 48.4516 0.0000 176.0557 *25 Y 4.0805 8.3778 126.7824 62.2888 36.9428 181.1003 *26 I 4.0165 8.3015 125.0719 65.6691 35.5239 181.2215 *27 V 3.9890 7.8935 121.7134 65.5757 31.2944 180.3589 28 G 3.8636 8.2604 106.1309 47.9145 0.0000 175.6703 29 A 4.0933 7.9446 125.9428 55.3278 18.3924 180.2978 *30 L 4.0548 7.9448 123.1724 60.3321 40.7161 182.6826 *31 V 3.9421 7.9545 122.0289 66.4802 31.7112 180.8973 *32 I 4.1535 7.7481 123.1288 65.5027 35.2262 180.9867 *33 L 4.1921 8.0316 124.1491 59.3497 40.7178 180.9986 34 A 4.2269 8.2897 124.4451 55.7313 18.1604 180.6966 *35 V 3.6290 7.5621 117.8573 66.1218 31.5840 181.9972 36 A 4.2963 8.3317 121.0222 54.9388 18.1471 179.7467 37 G 3.7158 7.9318 106.5372 48.7219 0.0000 176.4811 *38 L 4.0775 7.9797 127.1096 59.6235 41.0576 181.4600 *39 I 3.9817 7.8290 123.9265 65.8814 35.2878 180.3117 *40 Y 4.2578 8.5359 125.5750 62.5277 36.6653 180.9206 *41 S 4.2916 8.4150 123.4889 64.0274 62.1143 179.0381 *42 M 4.3521 8.3951 125.9359 60.2452 31.2281 181.1013 *43 L 4.4581 8.0159 125.0619 59.7458 41.2234 181.6976 *44 R 4.4238 8.8537 122.9555 60.8249 29.4851 181.3882 *45 K 4.4481 7.9416 120.4522 58.0774 33.1591 180.8730 *46 A 4.3112 7.8626 125.1394 52.4862 18.8841 176.0575 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 G 8.45 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 V 8.32 3.58 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 0.70 0.00 0.00 0.93 0.00 0.00 *3 I 8.01 3.83 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 1.27 1.10 0.91 0.00 0.00 *4 D 8.97 4.44 0.00 2.59 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 *5 T 7.80 3.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *6 S 8.83 4.36 0.00 3.61 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 7 A 7.95 4.39 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.67 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 0.80 0.00 0.00 0.93 0.00 0.00 *9 E 8.41 4.24 0.00 1.97 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 2.25 2.23 0.00 *10 S 7.80 4.33 0.00 3.71 3.91 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 0.00 0.00 0.00 11 A 8.03 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.67 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 1.38 0.70 0.91 0.00 0.00 *13 T 8.16 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *14 D 7.96 4.94 0.00 2.63 2.65 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 15 G 9.28 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.15 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 17 G 8.78 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.17 4.58 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.04 4.34 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *20 K 7.76 4.20 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 21 A 7.78 4.28 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 *22 I 7.75 3.83 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 1.45 0.70 0.91 0.00 0.00 23 G 8.27 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 24 G 8.32 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.08 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 I 8.30 4.02 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 1.38 0.54 0.91 0.00 0.00 *27 V 7.89 3.99 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 0.73 0.00 0.00 0.93 0.00 0.00 28 G 8.26 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.94 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 L 7.94 4.05 0.00 1.70 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *31 V 7.95 3.94 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 0.90 0.00 0.00 0.93 0.00 0.00 *32 I 7.75 4.15 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 1.38 0.54 0.91 0.00 0.00 *33 L 8.03 4.19 0.00 1.66 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.29 4.23 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 V 7.56 3.63 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 0.79 0.00 0.00 0.93 0.00 0.00 36 A 8.33 4.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.93 3.72 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 0.00 0.00 0.00 *38 L 7.98 4.08 0.00 1.66 1.69 0.92 0.89 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 *39 I 7.83 3.98 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 1.38 0.53 0.91 0.00 0.00 *40 Y 8.54 4.26 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 S 8.42 4.29 0.00 3.72 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 *42 M 8.40 4.35 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 *43 L 8.02 4.46 0.00 1.75 1.61 0.92 0.76 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 *44 R 8.85 4.42 0.00 1.86 1.87 0.00 3.21 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 *45 K 7.94 4.45 0.00 1.83 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.29 7.81 *46 A 7.86 4.31 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.