Assignment w1 w2 Y4H-N 122.816 9.304 A5H-N 117.393 7.626 R6H-N 121.946 8.72 V7H-N 118.818 9.158 R8H-N 121.254 8.847 A9H-N 124.929 9.159 V10H-N 120.584 8.454 V11H-N 127.836 8.443 M12H-N 125.703 8.982 T13H-N 114.935 9.588 R14H-N 126.143 7.667 D15H-N 126.298 8.49 D16H-N 125.132 8.685 S17H-N 114.724 8.375 S18H-N 114.492 7.785 G19H-N 111.683 8.181 G20H-N 107.564 7.888 W21H-N 120.619 8.39 L22H-N 124.126 9.356 L24H-N 127.864 8.817 G25H-N 114.965 9.074 G26H-N 109.111 7.925 S27H-N 113.407 8.144 G28H-N 109.315 8.185 L29H-N 122.056 8.472 S30H-N 118.33 9.051 S31H-N 117.088 9.133 V32H-N 132.209 9.78 T33H-N 119.037 9.275 V34H-N 122.197 8.082 F35H-N 125.446 9.211 K36H-N 120.345 8.555 V37H-N 126.13 9.131 H39H-N 120.534 8.528 Q40H-N 121.857 8.791 Q40HE21-NE2 112.276 7.604 Q40HE22-NE2 112.276 6.857 E41H-N 119.631 8.882 E42H-N 120.858 8.42 N43H-N 117.642 8.436 N43HD21-ND2 112.818 7.659 N43HD22-ND2 112.818 7.012 G44H-N 108.09 8.175 C45H-N 119.325 8.206 A46H-N 125.754 8.408 D47H-N 117.965 7.936 F48H-N 119.536 8.944 F49H-N 118.348 8.667 I50H-N 117.32 8.588 R51H-N 126.8 9.141 G52H-N 113.564 9.969 E53H-N 125.904 9.015 R54H-N 129.297 9.455 L55H-N 126.013 8.691 R56H-N 115.603 8.492 D57H-N 113.518 7.4 K58H-N 115.753 8.119 M59H-N 118.505 7.484 V60H-N 127.841 8.929 V61H-N 122.056 8.212 L62H-N 121.949 7.582 E63H-N 127.863 8.836 C64H-N 121.947 9.119 M65H-N 125.634 8.909 L66H-N 124.77 8.316 K67H-N 117.85 6.617 K68H-N 117.516 8.783 D69H-N 115.654 7.992 L70H-N 121.157 7.158 I71H-N 127.395 8.419 Y72H-N 131.437 8.893 N73H-N 126.639 9.015 N73HD21-ND2 114.211 6.807 N73HD22-ND2 114.211 6.722 K74H-N 124.663 8.589 V75H-N 125.541 7.757 T76H-N 111.347 8.586 T78H-N 99.242 7.798 F79H-N 124.174 7.826 H80H-N 126.583 7.973 H81H-N 115.173 8.556 W82H-N 117.555 9.415 K83H-N 122.341 8.993 I84H-N 125.126 8.867 D85H-N 128.192 9.373 D86H-N 118.346 8.737 K87H-N 121.818 8.461 K88H-N 120.865 7.945 F89H-N 119.928 8.071 G90H-N 104.777 8.139 L91H-N 119.032 8.551 T92H-N 115.742 8.51 F93H-N 126.47 9.184 Q94H-N 118.553 10.359 Q94HE21-NE2 112.755 7.471 Q94HE22-NE2 112.755 7.04 S95H-N 108.513 7.466 A97H-N 120.658 8.072 D98H-N 121.219 7.752 A99H-N 122.284 6.884 R100H-N 116.313 7.848 A101H-N 122.129 7.911 F102H-N 122.138 8.406 D103H-N 117.931 8.207 R104H-N 116.326 8.094 G105H-N 107.566 7.894 I106H-N 122.203 8.115 R107H-N 117.925 8.072 R108H-N 119.655 7.94 A109H-N 122.392 7.708 I110H-N 115.752 8.092 E111H-N 122.044 7.92 D112H-N 120.933 7.906 I113H-N 122.555 8.084 S114H-N 115.456 7.968 Q115H-N 120.044 7.982 Q115HE21-NE2 112.237 7.536 Q115HE22-NE2 112.237 6.842 G116H-N 108.479 8.148 C117H-N 119.823 8.175 E119H-N 121.265 8.542 S120H-N 122.063 7.952