Assignment w1 w2 S8H-N 117.735 8.507 N9H-N 121.268 8.68 A10H-N 124.354 8.348 T11H-N 112.269 8.122 G12H-N 110.879 8.223 Q14H-N 120.311 8.419 Q14HE21-NE2 112.997 7.479 Q14HE22-NE2 112.997 6.878 F15H-N 120.318 7.845 V16H-N 125.686 6.404 S17H-N 121.482 8.341 G18H-N 113.175 9.638 V19H-N 106.48 7.787 I20H-N 122.551 9.148 V21H-N 127.077 9.241 K22H-N 129.47 9.435 I23H-N 128.4 8.576 I24H-N 124.085 8.694 S25H-N 122.187 9.037 T26H-N 115.333 8.23 E27H-N 120.722 8.138 L29H-N 125.86 8.343 G31H-N 101.755 7.029 R32H-N 121.289 8.868 K33H-N 119.572 8.62 Q34H-N 117.967 8.153 V35H-N 120.412 8.123 R36H-N 119.742 8.528 D37H-N 118.39 9.051 T38H-N 117.982 7.956 L39H-N 119.503 7.904 A40H-N 121.018 9.232 A41H-N 117.425 7.066 I42H-N 118.203 8.122 S43H-N 114.443 8.39 E44H-N 117.306 8.139 V45H-N 127.262 8.143 L46H-N 125.846 8.976 Y47H-N 115.656 7.245 V48H-N 124.687 8.136 D49H-N 127.664 8.967 L50H-N 125.948 7.856 L51H-N 130.258 8.973 E52H-N 123.969 8.61 G53H-N 114.883 8.936 D54H-N 120.433 8.183 T55H-N 109.592 8.974 E56H-N 117.452 7.146 C57H-N 114.922 8.795 H58H-N 116.194 8.193 A59H-N 126.365 9.459 R60H-N 122.0 8.403 F61H-N 125.984 9.189 K62H-N 119.122 9.091 T63H-N 103.848 7.647 E65H-N 118.63 8.886 D66H-N 121.145 8.067 A67H-N 123.51 7.243 Q68H-N 116.752 8.404 A69H-N 120.76 7.828 V70H-N 117.172 6.892 I71H-N 119.362 7.214 N72H-N 118.729 8.668 N72HD21-ND2 111.695 7.754 N72HD22-ND2 111.695 7.095 A73H-N 123.315 7.716 Y74H-N 119.644 7.746 T75H-N 113.887 8.468 E76H-N 121.773 7.733 I77H-N 121.228 8.349 N78H-N 117.772 8.326 N78HD21-ND2 110.33 7.065 N78HD22-ND2 110.33 7.194 K79H-N 119.286 7.585 K80H-N 116.488 7.618 H81H-N 116.726 7.819 C82H-N 117.102 7.797 W83H-N 127.33 9.886 K84H-N 122.34 9.152 L85H-N 123.186 8.252 E86H-N 119.705 8.587 I87H-N 125.723 8.929 L88H-N 127.413 8.607 S89H-N 115.245 8.757 G90H-N 108.88 9.056 D91H-N 126.437 9.192 H92H-N 117.849 8.321 E93H-N 121.08 7.498 Q94H-N 118.478 7.984 Q94HE21-NE2 111.561 7.541 Q94HE22-NE2 111.561 6.872 R95H-N 117.883 8.533 Y96H-N 121.125 7.78 W97H-N 117.784 7.992 W97HE1-NE1 130.9 10.98 Q98H-N 117.921 8.11 Q98HE21-NE2 112.415 7.678 Q98HE22-NE2 112.415 6.399 K99H-N 118.371 7.442 I100H-N 117.044 7.371 L101H-N 120.529 8.022 V102H-N 119.329 7.806 D103H-N 122.566 8.275 R104H-N 120.57 8.203 Q105H-N 119.103 8.178 Q105HE21-NE2 112.35 7.592 Q105HE22-NE2 112.35 6.924 A106H-N 123.609 8.099 K107H-N 119.015 8.085 L108H-N 121.654 8.058 N109H-N 118.688 8.33 N109HD21-ND2 112.962 7.658 N109HD22-ND2 112.962 6.977 Q110H-N 121.25 8.162 R112H-N 121.594 8.533 E113H-N 122.04 8.484 K114H-N 123.419 8.456 K115H-N 123.331 8.43 R116H-N 123.502 8.599 G117H-N 110.826 8.647 T118H-N 113.264 8.151 E119H-N 123.807 8.655 K120H-N 122.532 8.385 L121H-N 124.079 8.291 I122H-N 123.091 8.289 T123H-N 119.455 8.292 K124H-N 124.959 8.367 A125H-N 132.022 8.092