Assignment w1 w2 A10H-N 124.0 7.75 A11H-N 122.8 8.73 A12H-N 134.2 9.12 L13H-N 126.561 7.896 A14H-N 128.4 8.99 L15H-N 115.879 7.796 I16H-N 115.211 9.353 L17H-N 127.5 8.29 A18H-N 116.764 8.148 A19H-N 122.4 8.25 C20H-N 120.515 7.535 G21H-N 114.0 9.08 G22H-N 117.465 8.153 Q23H-N 119.441 8.234 Q23HE21-NE2 111.803 6.767 Q23HE22-NE2 111.803 7.152 K24H-N 115.81 7.679 D25H-N 120.5 6.99 S26H-N 118.5 7.95 A27H-N 121.534 8.532 A29H-N 129.62 7.93 A30H-N 115.326 7.744 S31H-N 110.9 7.26 A32H-N 123.503 6.977 S33H-N 120.0 8.52 A34H-N 119.444 7.712 A35H-N 120.941 7.629 A36H-N 124.1 7.34 D37H-N 119.844 8.865 N38H-N 114.625 8.009 N38HD21-ND2 112.177 6.862 N38HD22-ND2 112.177 7.507 G39H-N 107.073 8.061 A40H-N 126.4 8.42 A41H-N 121.708 7.807 K42H-N 116.078 7.769 K43H-N 119.228 8.113 E44H-N 117.922 8.289 I45H-N 120.238 7.876 V46H-N 119.695 7.732 F47H-N 115.245 8.233 G48H-N 111.05 9.023 T49H-N 120.788 8.882 T50H-N 109.835 8.462 V51H-N 128.925 9.337 G52H-N 113.775 9.061 D53H-N 120.6 8.16 F54H-N 120.977 7.697 G55H-N 109.1 7.82 D56H-N 117.9 8.01 M57H-N 120.649 8.43 V58H-N 121.5 8.63 K59H-N 118.5 7.8 E60H-N 117.742 7.925 Q61H-N 114.473 7.183 Q61HE21-NE2 112.049 7.545 Q61HE22-NE2 112.049 6.936 I62H-N 132.323 8.756 Q63H-N 129.4 9.34 Q63HE21-NE2 109.6 7.16 Q63HE22-NE2 109.6 6.88 A64H-N 120.388 8.306 E65H-N 118.552 8.145 L66H-N 118.784 7.668 E67H-N 119.3 9.36 K68H-N 126.643 8.239 K69H-N 115.922 7.327 G70H-N 110.156 7.693 Y71H-N 123.182 8.758 T72H-N 122.76 8.575 V73H-N 127.006 8.46 K74H-N 123.012 7.432 L75H-N 117.457 7.857 V76H-N 111.8 7.3 E77H-N 124.9 8.21 F78H-N 122.176 8.985 T79H-N 104.4 7.31 D80H-N 123.125 9.57 Y81H-N 123.514 8.676 V82H-N 124.975 8.675 R83H-N 124.261 8.278 R83HE-NE 83.228 7.266 N85H-N 118.2 9.03 N85HD21-ND2 113.2 7.81 N85HD22-ND2 113.2 6.86 L86H-N 125.747 8.452 A87H-N 122.792 8.296 L88H-N 119.229 7.016 A89H-N 129.5 9.29 E90H-N 113.3 8.56 G91H-N 113.775 9.061 E92H-N 117.5 8.08 L93H-N 127.1 8.9 D94H-N 124.4 8.77 I95H-N 119.58 7.176 N96H-N 118.5 8.56 N96HD21-ND2 112.4 7.47 N96HD22-ND2 112.4 6.72 V97H-N 121.2 9.66 F98H-N 118.954 8.083 Q99H-N 114.602 7.962 Q99HE21-NE2 111.682 7.578 Q99HE22-NE2 111.682 6.993 K101H-N 115.28 7.45 Y103H-N 119.086 7.514 L104H-N 121.871 7.838 D105H-N 126.152 8.859 D106H-N 118.336 8.032 F107H-N 112.863 6.44 K108H-N 121.625 7.743 K109H-N 119.5 8.31 E110H-N 118.5 7.37 H111H-N 117.236 7.747 N112H-N 117.5 7.747 N112HD21-ND2 111.123 6.91 L113H-N 113.8 7.07 D114H-N 119.781 7.789 I115H-N 120.209 8.97 T116H-N 104.4 7.31 E117H-N 118.006 8.822 V118H-N 113.787 7.156 F119H-N 125.788 9.0 Q120H-N 120.062 8.569 Q120HE21-NE2 109.844 6.654 Q120HE22-NE2 109.844 7.431 T123H-N 118.8 8.94 A124H-N 125.3 8.15 L126H-N 120.0 7.94 G127H-N 114.31 8.788 L128H-N 117.107 7.618 Y129H-N 128.334 9.062 G131H-N 109.274 8.679 K132H-N 124.9 9.45 L133H-N 118.3 7.805 K134H-N 113.005 7.665 S135H-N 116.3 7.67 E137H-N 116.8 8.15 E138H-N 128.4 8.1 V139H-N 116.839 6.94 K140H-N 124.684 8.883 D141H-N 113.923 7.749 G142H-N 114.173 9.003 T144H-N 110.46 7.753 V145H-N 125.678 7.953 S146H-N 109.8 7.91 A147H-N 122.1 8.1 N149H-N 123.0 8.8 N149HD21-ND2 114.1 7.72 N149HD22-ND2 114.1 6.91 D150H-N 121.154 8.32 S152H-N 122.718 9.335 N153H-N 116.159 7.948 F154H-N 118.075 9.08 A155H-N 121.9 7.97 V157H-N 122.2 8.03 L158H-N 116.624 7.509 V159H-N 120.934 8.198 M160H-N 120.217 6.948 L161H-N 126.831 9.597 D162H-N 119.6 7.55 E163H-N 113.7 7.18 L164H-N 120.5 7.3 G165H-N 111.2 8.34 W166H-N 117.412 8.071 W166HE1-NE1 129.092 10.3 I167H-N 119.427 7.425 K168H-N 123.762 9.822 L169H-N 120.505 8.244 K170H-N 120.444 7.545 D171H-N 118.2 8.32 G172H-N 105.921 7.817 I173H-N 119.577 7.577 L176H-N 121.959 8.139 T177H-N 118.332 8.406 A178H-N 123.7 7.93 S179H-N 113.711 7.514 K180H-N 117.711 7.339 A181H-N 120.169 8.078 D182H-N 117.965 8.17 I183H-N 121.3 8.32 A184H-N 120.574 8.452 E185H-N 119.841 8.292 L187H-N 113.163 8.093 K188H-N 123.052 9.136 N189H-N 120.2 8.478 I190H-N 127.429 8.0 K191H-N 124.899 8.915 I192H-N 126.034 8.765 V193H-N 119.67 8.059 E194H-N 128.398 9.025 L195H-N 121.45 9.668 E196H-N 120.47 8.394 A197H-N 127.21 8.47 A198H-N 128.96 8.717 Q199H-N 121.544 8.732 Q199HE21-NE2 112.258 7.647 Q199HE22-NE2 112.258 6.926 L200H-N 120.104 8.61 S203H-N 110.46 7.88 R204H-N 120.796 9.527 R204HE-NE 83.632 7.281 A205H-N 123.21 8.023 D206H-N 122.553 8.095 V207H-N 119.9 9.37 D208H-N 110.119 7.76 F209H-N 125.679 9.03 A210H-N 118.21 9.534 V211H-N 123.26 8.473 V212H-N 120.3 7.85 N213H-N 118.3 8.154 G214H-N 104.86 7.578 N215H-N 116.93 8.354 Y216H-N 115.592 7.05 A217H-N 123.963 8.449 I218H-N 116.966 8.189 S219H-N 112.315 7.928 S220H-N 113.114 7.808 G221H-N 101.43 8.532 M222H-N 125.36 8.533 K223H-N 121.324 8.406 L224H-N 122.812 8.377 T225H-N 121.63 9.147 E226H-N 123.0 8.417 A227H-N 123.021 9.49 L228H-N 128.24 8.991 F229H-N 117.644 9.361 Q230H-N 126.481 8.977 Q230HE21-NE2 112.314 7.173 Q230HE22-NE2 112.314 7.719 E231H-N 123.439 8.081 S233H-N 116.856 8.044 F234H-N 119.861 7.917 A235H-N 119.713 8.83 Y236H-N 115.624 7.47 V237H-N 117.686 7.652 N238H-N 119.91 7.945 S240H-N 113.784 8.441 A241H-N 122.035 7.661 V242H-N 128.363 9.132 K243H-N 120.32 8.078 T244H-N 114.28 8.652 A245H-N 120.965 7.519 D246H-N 118.275 8.458 K247H-N 122.783 9.488 D248H-N 119.862 7.514 S249H-N 118.722 8.677 Q250H-N 123.433 8.459 Q250HE21-NE2 110.851 6.491 Q250HE22-NE2 110.851 7.42 W251H-N 123.257 8.093 W251HE1-NE1 129.993 10.32 L252H-N 124.86 8.652 K253H-N 121.57 7.755 D254H-N 119.64 8.433 V255H-N 128.491 8.126 T256H-N 116.917 8.22 E257H-N 124.499 8.379 A258H-N 120.496 7.846 Y259H-N 126.538 8.942 N260H-N 120.26 7.684 S261H-N 117.029 7.789 D262H-N 122.765 7.395 A263H-N 120.496 7.846 F264H-N 122.045 7.791 K265H-N 117.804 7.464 A266H-N 122.791 8.05 A268H-N 121.222 7.943 H269H-N 118.551 8.833 K270H-N 125.64 11.502 R271H-N 113.574 7.968 R271HE-NE 80.454 7.294 F272H-N 122.218 8.815 E273H-N 114.266 8.14 G274H-N 109.307 8.108 Y275H-N 123.632 7.796 K276H-N 118.566 10.29 S277H-N 116.598 8.721 A279H-N 123.975 8.089 A280H-N 123.106 8.356 W281H-N 116.867 8.298 W281HE1-NE1 128.891 10.214 N282H-N 114.978 8.288 N282HD21-ND2 111.424 6.922 N282HD22-ND2 111.424 7.633 E283H-N 117.889 8.401 G284H-N 110.098 8.915 A285H-N 129.854 8.913 A286H-N 126.843 9.072 K287H-N 120.35 7.629