Assignment w1 w2 S3H-N 115.578 8.32 Y4H-N 122.864 9.319 A5H-N 117.431 7.624 R6H-N 121.984 8.722 V7H-N 118.945 9.164 R8H-N 120.977 8.837 A9H-N 124.564 9.134 V10H-N 120.578 8.366 V11H-N 127.726 8.453 M12H-N 126.064 9.161 T13H-N 114.567 9.553 R14H-N 125.626 7.492 D15H-N 125.998 8.482 D16H-N 124.771 8.673 S17H-N 114.801 8.386 S18H-N 114.569 7.791 G19H-N 111.605 8.18 G20H-N 107.553 7.878 W21H-N 120.577 8.36 W21HE1-NE1 129.538 10.05 L22H-N 124.619 9.421 L24H-N 128.003 8.791 G25H-N 114.049 9.069 G26H-N 108.834 7.858 S27H-N 113.431 8.227 G28H-N 109.222 8.163 L29H-N 121.476 8.467 S30H-N 118.193 8.982 S31H-N 117.019 9.153 V32H-N 132.328 9.789 T33H-N 118.933 9.302 V34H-N 122.029 8.034 F35H-N 125.573 9.2 K36H-N 120.504 8.52 V37H-N 126.118 9.116 H39H-N 120.325 8.544 Q40H-N 121.811 8.794 Q40HE21-NE2 112.285 7.601 Q40HE22-NE2 112.285 6.85 E41H-N 119.628 8.859 E42H-N 120.908 8.423 N43H-N 117.634 8.441 N43HD21-ND2 112.851 7.666 N43HD22-ND2 112.851 7.011 G44H-N 108.075 8.176 C45H-N 119.301 8.206 A46H-N 125.753 8.411 D47H-N 117.985 7.943 F48H-N 119.466 8.925 F49H-N 118.181 8.66 I50H-N 117.532 8.61 R51H-N 126.828 9.146 G52H-N 113.331 9.909 E53H-N 125.939 9.044 R54H-N 129.13 9.459 L55H-N 125.917 8.654 R56H-N 115.54 8.465 D57H-N 113.517 7.407 K58H-N 115.57 8.126 M59H-N 118.526 7.476 V60H-N 127.896 8.918 V61H-N 122.468 8.235 L62H-N 121.388 7.553 E63H-N 127.74 8.817 C64H-N 122.205 9.168 M65H-N 125.715 8.957 L66H-N 124.997 8.306 K67H-N 118.392 6.739 K68H-N 117.451 8.77 D69H-N 115.697 7.991 L70H-N 121.246 7.155 I71H-N 127.573 8.433 Y72H-N 131.587 8.859 N73H-N 126.417 9.015 N73HD21-ND2 114.247 6.834 N73HD22-ND2 114.247 6.777 K74H-N 124.641 8.634 V75H-N 124.772 7.792 T76H-N 111.464 8.585 T78H-N 99.244 7.815 F79H-N 124.721 7.877 H80H-N 126.706 7.909 H81H-N 115.489 8.668 W82H-N 117.673 9.409 W82HE1-NE1 129.538 10.074 K83H-N 122.144 8.943 I84H-N 125.98 8.858 D85H-N 128.129 9.36 D86H-N 118.389 8.729 K87H-N 121.738 8.457 K88H-N 121.107 7.973 F89H-N 120.168 8.025 G90H-N 104.976 8.33 L91H-N 118.977 8.473 R92H-N 120.908 8.468 F93H-N 125.685 8.935 Q94H-N 118.698 10.274 Q94HE21-NE2 112.5 7.523 Q94HE22-NE2 112.5 7.015 S95H-N 108.71 7.476 A97H-N 120.738 8.08 D98H-N 121.066 7.74 A99H-N 122.238 6.874 R100H-N 116.36 7.875 A101H-N 121.89 7.903 F102H-N 122.075 8.408 D103H-N 117.929 8.238 R104H-N 116.324 8.07 G105H-N 107.359 7.888 I106H-N 122.223 8.146 R107H-N 117.99 8.069 R108H-N 119.615 7.935 A109H-N 122.391 7.724 I110H-N 115.746 8.069 E111H-N 121.89 7.924 D112H-N 120.955 7.917 I113H-N 122.446 8.098 S114H-N 115.59 7.953 Q115H-N 120.044 7.997 Q115HE21-NE2 112.25 7.537 Q115HE22-NE2 112.25 6.85 G116H-N 108.493 8.146 C117H-N 119.822 8.185 E119H-N 121.238 8.539 S120H-N 122.052 7.952