Assignment w1 w2 L2H-N 122.211 8.752 V3H-N 120.143 9.072 K4H-N 122.239 8.449 L5H-N 122.649 9.14 E6H-N 123.72 8.896 S7H-N 120.186 9.053 S8H-N 118.786 9.388 D9H-N 117.007 9.246 E10H-N 112.358 8.037 K11H-N 118.647 7.234 V12H-N 122.755 8.167 F13H-N 127.718 9.477 E14H-N 122.406 8.666 I15H-N 123.009 9.033 E16H-N 126.83 9.136 K17H-N 126.539 8.939 E18H-N 115.639 9.504 I19H-N 116.52 6.842 A20H-N 120.966 7.667 C21H-N 107.668 7.79 M22H-N 119.195 7.587 S23H-N 110.29 7.505 V24H-N 131.654 7.982 T25H-N 114.474 7.227 I26H-N 122.043 8.207 K27H-N 121.462 8.584 N28H-N 116.044 8.353 N28HD21-ND2 111.26 6.791 N28HD22-ND2 111.26 7.592 M29H-N 120.548 7.934 I30H-N 118.782 8.543 E31H-N 119.776 7.846 D32H-N 117.962 7.766 I33H-N 117.133 8.051 G34H-N 109.761 7.996 E35H-N 121.251 8.307 S36H-N 117.815 8.227 D37H-N 123.168 8.573 S38H-N 116.61 8.084 I40H-N 126.451 8.889 L42H-N 122.272 8.618 N44H-N 112.162 6.918 N44HD21-ND2 111.129 6.498 N44HD22-ND2 111.129 6.498 V45H-N 117.317 7.582 T46H-N 117.921 8.327 S47H-N 118.376 9.817 T48H-N 115.688 7.801 I49H-N 120.415 6.926 L50H-N 122.676 9.109 E51H-N 117.151 8.494 K52H-N 117.947 6.896 V53H-N 119.383 8.491 L54H-N 118.786 8.886 D55H-N 121.317 8.066 Y56H-N 122.487 8.312 C57H-N 118.494 8.586 R58H-N 119.602 8.782 R58HE-NE 83.918 7.432 H59H-N 116.271 8.014 H60H-N 115.948 8.105 H61H-N 119.416 8.23 Q62H-N 116.761 7.621 Q62HE21-NE2 111.14 7.363 Q62HE22-NE2 111.14 6.761 H63H-N 116.875 7.675 G65H-N 109.175 8.467 G66H-N 108.804 8.289 S67H-N 115.726 8.414 G68H-N 110.987 8.566 L69H-N 121.207 8.144 D70H-N 119.084 8.228 D71H-N 119.551 7.992 I72H-N 121.659 8.056 Y75H-N 117.318 8.167 D76H-N 119.905 7.643 R77H-N 119.628 7.878 R77HE-NE 84.67 7.152 D78H-N 119.164 7.822 F79H-N 122.891 8.439 C80H-N 110.315 7.252 K81H-N 123.557 7.294 V82H-N 115.843 7.372 D83H-N 118.829 8.061 Q84H-N 118.384 8.698 Q84HE21-NE2 109.753 7.02 Q84HE22-NE2 109.753 6.779 T86H-N 114.147 7.544 L87H-N 123.52 8.2 F88H-N 115.781 8.161 E89H-N 118.241 8.072 L90H-N 123.168 8.691 I91H-N 121.944 8.169 L92H-N 117.919 7.915 A93H-N 121.924 8.361 A94H-N 121.387 9.036 N95H-N 115.696 8.356 N95HD21-ND2 112.413 7.674 N95HD22-ND2 112.413 6.83 Y96H-N 121.179 8.432 L97H-N 114.98 8.966 D98H-N 125.562 7.841 I99H-N 121.353 7.95 K100H-N 128.101 9.196 L102H-N 116.343 6.434 L103H-N 124.262 7.786 D104H-N 116.898 8.136 V105H-N 115.925 7.666 T106H-N 115.968 7.881 C107H-N 120.558 8.306 K108H-N 119.486 8.22 T109H-N 115.908 7.616 V110H-N 122.0 7.751 A111H-N 121.376 8.155 N112H-N 114.139 7.714 N112HD21-ND2 111.82 6.86 N112HD22-ND2 111.82 7.607 M113H-N 118.929 7.937 I114H-N 116.221 7.653 R115H-N 122.181 7.843 R115HE-NE 85.007 7.341 G116H-N 114.926 7.787