NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3799 0.0000 0.0000 61.6951 32.6125 176.1343 2 P 4.2491 0.0000 0.0000 61.4796 31.9084 174.8313 3 G 3.8130 8.1414 109.8510 44.5516 0.0000 171.0516 4 P 4.5530 0.0000 0.0000 60.9937 32.2552 174.3791 5 P 4.2860 0.0000 0.0000 62.4048 31.5977 176.8659 6 G 3.8447 8.3349 110.4837 44.5676 0.0000 171.3997 7 P 4.4673 0.0000 0.0000 61.2554 31.9235 175.1595 8 P 4.3310 0.0000 0.0000 62.5893 31.7761 177.2797 9 G 3.8756 8.2425 110.2728 44.1386 0.0000 171.2059 10 P 4.5318 0.0000 0.0000 61.0749 32.1184 174.1659 11 P 4.5481 0.0000 0.0000 62.4174 33.3153 178.9148 12 G 3.6975 8.6987 112.0079 46.0866 0.0000 176.6516 *15 G 3.6953 8.9488 111.5430 44.1818 0.0000 170.3177 16 P 4.5621 0.0000 0.0000 60.9669 32.2765 174.3546 17 P 4.3066 0.0000 0.0000 62.4076 31.6136 176.7852 18 G 3.8753 8.3132 110.3758 44.2099 0.0000 171.4726 19 P 4.4114 0.0000 0.0000 61.5724 31.8222 174.6643 20 P 4.3046 0.0000 0.0000 62.7542 31.7413 176.4988 21 G 3.8912 8.2414 109.8664 43.9634 0.0000 171.3735 22 P 4.5324 0.0000 0.0000 61.0953 32.1300 174.2803 23 P 4.4094 0.0000 0.0000 62.2151 31.8194 176.2161 24 G 3.8728 8.2226 108.7801 44.2264 0.0000 172.1195 25 P 4.4012 0.0000 0.0000 62.7585 31.2919 176.8045 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 P 0.00 4.38 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 2 P 0.00 4.25 0.00 2.14 2.02 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 3 G 8.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.55 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 5 P 0.00 4.29 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 G 8.33 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.47 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 P 0.00 4.33 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 G 8.24 3.88 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 0.00 0.00 0.00 10 P 0.00 4.53 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 11 P 0.00 4.55 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 12 G 8.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 17 P 0.00 4.31 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 18 G 8.31 3.88 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 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 20 P 0.00 4.30 0.00 2.08 2.04 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 21 G 8.24 3.89 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 0.00 0.00 0.00 22 P 0.00 4.53 0.00 2.19 2.08 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 23 P 0.00 4.41 0.00 2.18 2.09 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 24 G 8.22 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.40 0.00 2.05 1.98 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.