Assignment w1 w2 S6H-N 117.965 8.358 G7H-N 110.727 8.39 E8H-N 120.676 8.236 I9H-N 123.002 8.268 I11H-N 121.658 8.155 C12H-N 125.628 8.446 K14H-N 119.655 8.142 V15H-N 118.273 8.642 T16H-N 116.354 8.163 Q17H-N 122.146 9.119 Q17HE21-NE2 111.173 7.14 Q17HE22-NE2 111.173 6.853 S18H-N 119.494 8.699 I19H-N 126.004 9.009 H20H-N 128.119 8.838 I21H-N 124.038 8.899 E22H-N 123.963 8.444 K23H-N 121.978 8.593 S24H-N 116.513 8.528 D25H-N 122.491 8.437 T26H-N 112.716 8.176 A27H-N 124.434 8.183 A28H-N 120.361 7.898 D29H-N 118.174 8.002 T30H-N 111.057 7.996 G32H-N 105.386 8.416 F33H-N 115.655 7.674 S34H-N 113.981 8.543 L35H-N 122.368 8.755 S36H-N 116.866 9.388 S37H-N 118.662 8.558 V38H-N 124.802 8.973 E39H-N 126.148 8.685 E40H-N 126.106 8.732 D41H-N 126.037 9.339 G42H-N 103.555 8.594 I43H-N 121.603 7.776 R44H-N 127.765 8.74 R45H-N 124.086 8.892 R45HE-NE 85.43 7.327 L46H-N 122.723 8.377 Y47H-N 119.902 8.872 V48H-N 121.045 9.143 N49H-N 129.749 9.252 N49HD21-ND2 112.823 6.878 N49HD22-ND2 112.823 6.878 S50H-N 111.272 7.523 V51H-N 119.566 8.596 K52H-N 126.543 8.373 G55H-N 107.911 7.683 L56H-N 117.067 8.571 A57H-N 119.717 8.314 S58H-N 114.078 8.864 K59H-N 120.236 7.663 K60H-N 115.928 7.409 G61H-N 105.573 7.715 L62H-N 122.77 7.493 K63H-N 123.609 8.524 A64H-N 122.723 8.551 G65H-N 112.652 9.148 D66H-N 122.589 7.951 E67H-N 122.282 8.561 I68H-N 126.573 8.799 L69H-N 126.968 9.209 E70H-N 116.604 7.724 I71H-N 118.806 8.569 N72H-N 126.491 9.648 N72HD21-ND2 111.793 7.652 N72HD22-ND2 111.793 5.004 N73H-N 106.64 8.844 N73HD21-ND2 113.134 7.567 N73HD22-ND2 113.134 6.822 R74H-N 120.222 8.107 A75H-N 126.047 8.541 A76H-N 122.538 7.891 D77H-N 113.473 8.427 A78H-N 120.905 7.636 L79H-N 119.018 7.176 N80H-N 119.554 7.342 N80HD21-ND2 112.925 7.079 N80HD22-ND2 112.925 7.656 M83H-N 122.542 8.18 L84H-N 117.673 7.936 K85H-N 117.536 7.659 D86H-N 119.339 7.721 F87H-N 119.434 8.783 L88H-N 117.401 8.322 S89H-N 112.59 7.782 Q90H-N 122.417 7.499 Q90HE21-NE2 112.841 6.827 Q90HE22-NE2 112.841 7.533 S92H-N 112.571 7.223 L93H-N 124.642 8.842 G94H-N 112.915 8.42 L95H-N 123.178 9.054 L96H-N 125.674 8.374 V97H-N 123.868 9.133 R98H-N 124.167 9.159 T99H-N 121.393 8.777 Y100H-N 122.734 8.338 E102H-N 121.094 8.492 L103H-N 124.065 8.333 E104H-N 122.641 8.449 E105H-N 122.723 8.493 G106H-N 110.568 8.529 V107H-N 119.044 7.921 E108H-N 124.771 8.594 S109H-N 117.454 8.391 G110H-N 110.829 8.285 S112H-N 116.492 8.529 G114H-N 116.888 8.056