Assignment w1 w2 G1H-N 109.896 8.378 L2H-N 120.86 8.289 Y3H-N 127.15 9.027 S4H-N 111.56 9.318 S5H-N 115.8 7.459 L6H-N 123.972 7.52 A9H-N 117.46 8.625 K10H-N 117.364 7.254 R11H-N 118.68 7.41 E12H-N 118.035 8.267 E13H-N 119.81 7.444 V14H-N 119.54 7.938 E15H-N 118.25 8.094 K16H-N 118.86 8.319 L17H-N 120.82 8.02 L18H-N 117.8 8.205 N19H-N 118.847 8.613 N19HD21-ND2 113.1 7.625 N19HD22-ND2 113.1 6.695 G20H-N 104.836 7.803 S21H-N 115.37 7.567 A22H-N 124.206 8.334 G23H-N 108.886 8.613 D24H-N 119.161 8.534 T25H-N 116.0 7.864 W26H-N 118.67 8.287 W26HE1-NE1 130.381 10.298 R27H-N 122.263 6.341 H28H-N 120.604 7.37 L29H-N 120.734 8.365 A30H-N 118.919 8.384 G31H-N 103.97 7.679 E32H-N 122.387 7.724 L33H-N 117.748 7.813 G34H-N 105.744 7.636 Y35H-N 119.55 7.958 Q36H-N 123.108 9.767 Q36HE21-NE2 113.45 7.406 Q36HE22-NE2 113.45 6.858 E38H-N 116.204 9.493 H39H-N 120.31 7.424 I40H-N 120.39 7.95 D41H-N 117.99 8.142 S42H-N 115.373 7.485 F43H-N 120.335 7.787 T44H-N 110.175 7.777 H45H-N 116.164 7.473 E46H-N 119.465 7.229 A47H-N 123.121 8.624 C48H-N 114.618 7.962 V50H-N 114.288 7.935 R51H-N 120.7 7.253 A52H-N 121.849 7.371 L53H-N 120.978 7.999 L54H-N 117.377 7.973 A55H-N 120.7 8.086 S56H-N 111.963 7.446 W57H-N 125.6 9.032 W57HE1-NE1 130.2 10.27 A58H-N 114.481 8.312 T59H-N 106.369 7.238 Q60H-N 121.193 7.701 Q60HE21-NE2 110.9 7.174 Q60HE22-NE2 110.9 6.942 D61H-N 121.43 8.623 S62H-N 108.5 7.437 A63H-N 127.5 7.077 T64H-N 115.344 7.802 L65H-N 122.107 8.686 D66H-N 116.774 8.592 A67H-N 123.457 8.285 L68H-N 121.963 7.952 L69H-N 117.44 8.633 A70H-N 119.971 8.132 A71H-N 121.297 7.61 L72H-N 116.48 8.009 R73H-N 118.3 7.983 R74H-N 120.307 7.916 I75H-N 110.637 7.274 Q76H-N 113.647 7.714 Q76HE21-NE2 112.3 7.388 Q76HE22-NE2 112.3 6.732 R77H-N 117.152 8.029 A78H-N 123.065 8.121 D79H-N 116.575 8.916 L80H-N 120.881 7.497 V81H-N 117.403 7.158 E82H-N 118.645 8.023 S83H-N 113.57 7.668 L84H-N 120.278 7.727 C85H-N 116.2 7.855 S86H-N 116.68 7.813 E87H-N 122.629 8.456 S88H-N 116.6 8.321 T89H-N 115.756 8.144 A90H-N 126.28 8.233 T91H-N 113.047 8.061 S92H-N 119.479 8.215 V94H-N 123.36 7.618 A1H-N 126.045 8.464 Q2H-N 119.668 8.266 Q2HE21-NE2 112.163 6.788 K3H-N 122.943 8.297 S4H-N 117.426 8.393 I5H-N 121.967 8.182 Q6H-N 122.765 8.257 E7H-N 121.814 8.215 I8H-N 121.483 8.071 Q9H-N 123.535 8.337 E10H-N 121.812 8.279 L11H-N 122.436 8.096 D12H-N 120.58 8.28 K13H-N 121.023 8.057 D14H-N 120.845 8.265 D15H-N 121.146 8.17 E16H-N 122.492 8.534 S17H-N 115.728 8.336 L18H-N 122.75 7.894 R19H-N 119.929 7.944 K20H-N 119.009 8.038 Y21H-N 120.668 7.927 K22H-N 120.14 8.128 E23H-N 119.533 8.182 A24H-N 122.75 7.881 L25H-N 119.426 7.773 L26H-N 119.938 7.798 G27H-N 107.906 8.056 R28H-N 119.995 7.899 V29H-N 120.66 8.001 A30H-N 127.541 8.28 V31H-N 118.94 8.027 S32H-N 118.694 8.21 A33H-N 126.031 8.237 D34H-N 121.744 8.111 N36H-N 117.301 8.524 N36HD21-ND2 114.064 7.77 N36HD22-ND2 114.064 6.902 V37H-N 120.81 7.574 N39H-N 118.544 8.901 N39HD21-ND2 117.92 7.578 N39HD22-ND2 117.92 7.881 V40H-N 114.16 7.705 V41H-N 125.93 8.432 V42H-N 130.198 8.885 T43H-N 116.425 8.622 L45H-N 122.19 7.827 T46H-N 123.196 9.388 V48H-N 127.11 9.075 C49H-N 129.343 8.733 S51H-N 113.35 7.814 A52H-N 124.181 6.986 G54H-N 106.168 7.109 L56H-N 126.867 8.783 T61H-N 110.25 8.41 G62H-N 110.436 7.338 D63H-N 120.299 8.155 L64H-N 126.521 8.496 E65H-N 118.93 8.182 S66H-N 114.49 7.691 F67H-N 120.242 7.071 K68H-N 116.493 7.572 K69H-N 115.409 7.349 Q70H-N 119.122 7.55 L74H-N 124.731 8.481 E76H-N 122.175 8.01 V78H-N 115.091 7.015 E79H-N 121.477 8.253 Y80H-N 121.495 9.297 R81H-N 114.883 8.466 R81HE-NE 83.493 7.31 I82H-N 122.1 8.21 K83H-N 127.31 9.17 I84H-N 129.48 9.561 S85H-N 122.82 8.65 F86H-N 117.83 8.458 R87H-N 119.807 9.333 R87HE-NE 84.24 7.274 V88H-N 122.225 8.856 N89H-N 121.676 9.66 R90H-N 116.942 8.827 R90HE-NE 83.728 7.475 E91H-N 120.923 9.022 I92H-N 120.5 8.341 V93H-N 126.337 8.496 S94H-N 120.237 8.674 G95H-N 112.48 8.165 M96H-N 117.289 8.352 K97H-N 123.75 8.39 Y98H-N 123.92 8.648 I99H-N 128.128 8.718 Q100H-N 124.32 8.546 H101H-N 129.028 9.451 T102H-N 119.79 8.698 Y103H-N 126.951 9.944 R104H-N 120.461 8.947 K105H-N 127.7 9.55 G106H-N 103.82 8.759 V107H-N 121.315 7.816 K108H-N 127.928 8.715 I109H-N 123.581 8.942 D110H-N 118.971 7.56 K111H-N 122.611 8.036 T112H-N 120.546 8.574 D113H-N 123.211 7.901 Y114H-N 119.934 9.224 M115H-N 123.277 8.844 V116H-N 128.647 8.501 G117H-N 107.047 7.662 S118H-N 116.043 7.957 Y119H-N 121.96 8.223 G120H-N 106.913 8.493 R122H-N 117.513 8.209 A123H-N 125.331 8.752 E124H-N 116.9 7.95 E125H-N 123.6 8.649 Y126H-N 122.1 8.915 E127H-N 114.664 8.117 F128H-N 124.3 9.211 L129H-N 128.18 7.673 T130H-N 113.518 8.492 V132H-N 120.137 8.083 E133H-N 127.594 8.757 E134H-N 118.338 8.267 A135H-N 129.4 9.17 K137H-N 114.71 8.035 G138H-N 110.938 8.382 M139H-N 119.157 8.536 L140H-N 116.54 8.381 A141H-N 119.88 7.448 R142H-N 118.073 7.085 G143H-N 109.72 8.957 S144H-N 115.337 8.388 Y145H-N 126.35 9.532 S146H-N 118.38 8.877 I147H-N 126.867 9.124 K148H-N 124.506 9.012 S149H-N 123.968 8.88 R150H-N 121.544 8.741 F151H-N 126.8 9.155 T152H-N 123.178 9.023 D153H-N 121.186 8.734 D155H-N 119.509 8.229 K156H-N 114.48 8.311 T157H-N 118.184 7.883 D158H-N 129.266 9.0 H159H-N 124.66 8.071 L160H-N 114.84 7.593 S161H-N 121.599 8.312 W162H-N 123.33 9.127 W162HE1-NE1 122.689 7.277 E163H-N 120.88 8.315 W164H-N 120.695 9.07 W164HE1-NE1 130.206 9.984 L166H-N 121.4 8.69 T167H-N 121.65 9.321 I168H-N 127.5 9.141 K169H-N 126.664 8.142 K170H-N 120.289 8.815 D171H-N 113.76 7.481 W172H-N 117.194 8.167 W172HE1-NE1 130.746 10.283 K173H-N 114.702 7.676 D174H-N 126.014 7.817