Assignment w1 w2 L3H-N 123.839 8.47 T4H-N 114.096 8.23 E5H-N 123.159 8.349 G6H-N 109.374 8.359 D7H-N 120.009 7.934 Q8H-N 118.08 8.285 Q8HE21-NE2 112.264 6.805 Q8HE22-NE2 112.264 7.492 Y9H-N 121.773 8.808 K10H-N 121.322 8.246 L11H-N 123.634 8.699 S12H-N 120.007 9.443 G13H-N 107.225 7.104 V14H-N 120.514 8.483 E15H-N 127.607 8.846 V16H-N 127.779 9.036 S17H-N 122.294 9.014 G18H-N 106.842 8.301 N19H-N 119.74 8.475 N19HD21-ND2 112.956 7.729 N19HD22-ND2 112.956 7.216 L20H-N 122.965 8.381 A21H-N 118.962 8.121 G22H-N 103.021 8.159 H23H-N 117.048 7.718 S24H-N 115.154 7.878 A25H-N 124.136 8.612 E26H-N 117.598 8.221 I27H-N 120.095 7.941 E28H-N 121.84 8.714 Q29H-N 116.211 7.361 Q29HE21-NE2 112.211 6.864 Q29HE22-NE2 112.211 7.539 L30H-N 117.307 7.574 T31H-N 106.506 7.441 K32H-N 121.063 6.792 I33H-N 121.027 8.102 E34H-N 126.001 9.008 G36H-N 112.893 8.832 E37H-N 120.935 7.884 L38H-N 123.568 8.501 Y39H-N 121.653 8.868 N40H-N 123.412 7.073 N40HD21-ND2 113.459 7.679 N40HD22-ND2 113.459 6.926 G41H-N 110.995 8.971 T42H-N 117.328 8.078 K43H-N 122.687 7.638 V44H-N 119.087 7.291 T45H-N 115.269 7.857 K46H-N 121.427 7.681 M47H-N 119.031 7.875 E48H-N 117.027 8.207 D49H-N 119.609 8.342 D50H-N 121.756 8.952 I51H-N 122.607 8.297 K52H-N 119.142 8.146 K53H-N 121.042 8.59 L54H-N 121.922 7.79 L55H-N 116.816 8.054 G56H-N 108.369 8.273 R57H-N 123.146 7.692 R57HE-NE 84.683 7.225 Y58H-N 115.169 7.27 G59H-N 106.596 7.372 Y60H-N 122.742 7.642 A61H-N 123.174 6.641 Y62H-N 114.846 9.012 R64H-N 120.874 8.659 R64HE-NE 84.376 7.213 V65H-N 125.403 8.71 Q66H-N 126.264 8.824 Q66HE21-NE2 111.575 7.531 Q66HE22-NE2 111.575 6.79 S67H-N 122.096 8.797 M68H-N 123.295 9.212 E70H-N 125.329 9.028 I71H-N 129.764 8.858 N72H-N 127.389 9.153 N72HD21-ND2 111.833 7.321 N72HD22-ND2 111.833 6.876 D73H-N 123.981 8.856 A74H-N 121.712 8.257 D75H-N 114.114 7.263 K76H-N 116.206 7.746 T77H-N 108.576 8.03 V78H-N 118.769 8.717 K79H-N 128.025 8.418 L80H-N 127.378 8.491 R81H-N 126.455 8.054 R81HE-NE 84.6 7.296 V82H-N 126.615 8.949 N83H-N 127.003 9.138 N83HD21-ND2 111.533 7.341 N83HD22-ND2 111.533 6.79 V84H-N 126.261 8.885 D85H-N 124.415 8.977 A86H-N 127.595 8.432 G87H-N 100.177 7.746 N88H-N 118.822 8.558 N88HD21-ND2 111.604 7.014 N88HD22-ND2 111.604 6.834 R89H-N 122.183 8.017 R89HE-NE 83.986 6.569 F90H-N 123.031 8.542 Y91H-N 119.521 9.137 V92H-N 119.618 8.319 R93H-N 132.157 9.771 R93HE-NE 84.796 8.807 K94H-N 114.725 7.941 I95H-N 122.137 9.358 R96H-N 126.764 8.944 R96HE-NE 83.324 7.414 F97H-N 119.407 8.478 E98H-N 122.437 9.019 G99H-N 111.32 8.795 N100H-N 116.362 9.125 S103H-N 120.584 8.683 A106H-N 116.769 8.545 V107H-N 116.159 7.161 L108H-N 118.592 7.129 R109H-N 117.757 8.561 R110H-N 116.483 7.242 R110HE-NE 84.714 7.319 E111H-N 115.124 7.223 M112H-N 113.146 7.113 G117H-N 112.886 9.237 A118H-N 120.361 6.965 W119H-N 118.107 7.592 W119HE1-NE1 127.709 9.78 L120H-N 125.759 9.226 D123H-N 120.688 8.986 L124H-N 121.628 7.441 V125H-N 123.353 8.077 D126H-N 124.963 8.429 Q127H-N 121.136 8.724 Q127HE21-NE2 109.617 7.319 Q127HE22-NE2 109.617 6.733 G128H-N 105.07 7.76 K129H-N 122.433 7.67 E130H-N 119.01 8.016 R131H-N 118.303 8.139 R131HE-NE 83.956 7.489 L132H-N 118.939 8.123 N133H-N 118.78 8.393 N133HD21-ND2 111.061 7.421 N133HD22-ND2 111.061 6.895 R134H-N 118.266 7.848 R134HE-NE 84.665 7.456 L135H-N 117.426 7.269 G136H-N 102.003 7.248 F137H-N 114.563 5.938 F138H-N 116.768 8.467 E139H-N 123.736 9.438 T140H-N 106.623 7.156 V141H-N 120.953 8.095 D142H-N 126.042 8.927 T143H-N 110.171 8.52 D144H-N 121.056 8.596 T145H-N 119.176 8.204 Q146H-N 124.396 8.89 Q146HE21-NE2 111.281 6.836 Q146HE22-NE2 111.281 7.771 R147H-N 123.601 8.699 R147HE-NE 84.347 7.286 V148H-N 126.962 8.136 G150H-N 112.054 8.706 S151H-N 114.895 7.836 D153H-N 115.098 7.88 Q154H-N 114.834 7.46 Q154HE21-NE2 109.953 7.251 Q154HE22-NE2 109.953 6.402 V155H-N 113.745 8.886 D156H-N 120.467 9.093 V157H-N 121.369 8.516 V158H-N 126.696 8.582 Y159H-N 125.835 8.745 K160H-N 124.782 8.834 V161H-N 119.934 9.071 K162H-N 120.799 7.659 E163H-N 128.123 9.729 R164H-N 120.942 8.312 R164HE-NE 83.96 6.876 N165H-N 121.065 8.793 N165HD21-ND2 112.61 7.598 N165HD22-ND2 112.61 6.908 T166H-N 114.272 8.226 G167H-N 117.1 8.035