Assignment w1 w2 K2H-N 124.086 8.671 D3H-N 128.425 8.597 G4H-N 107.914 8.561 T5H-N 116.066 7.953 Y6H-N 127.899 9.718 Y7H-N 124.218 8.832 A8H-N 127.045 8.121 E9H-N 113.765 8.217 A10H-N 124.021 8.517 D11H-N 117.972 8.392 D12H-N 114.159 7.66 F13H-N 118.695 8.685 D14H-N 122.64 8.883 E15H-N 117.907 9.183 S16H-N 115.934 8.466 G17H-N 109.031 8.239 W18H-N 119.221 8.297 W18HE1-NE1 128.902 10.134 K19H-N 128.294 10.122 D20H-N 127.702 8.195 T21H-N 111.924 9.447 V22H-N 120.273 8.744 T23H-N 120.602 8.12 I24H-N 129.477 9.813 E25H-N 127.505 8.737 V26H-N 128.162 9.315 K27H-N 128.754 9.22 N28H-N 127.308 10.561 N28HD21-ND2 113.365 7.606 N28HD22-ND2 113.365 6.992 G29H-N 104.955 10.048 K30H-N 118.63 7.506 I31H-N 123.232 9.843 V32H-N 121.654 9.125 S33H-N 115.145 7.587 V34H-N 123.56 8.905 D35H-N 124.284 9.008 N37H-N 120.01 8.297 N37HD21-ND2 112.341 7.788 N37HD22-ND2 112.341 7.594 A38H-N 118.301 9.037 I39H-N 117.249 8.751 N40H-N 126.453 9.542 N40HD21-ND2 110.276 6.445 N40HD22-ND2 110.276 4.043 K41H-N 129.872 8.634 D42H-N 117.512 8.363 G43H-N 107.782 7.631 G44H-N 107.782 8.319 D45H-N 121.391 8.319 D46H-N 117.578 8.268 K47H-N 120.931 8.165 D48H-N 119.024 8.839 T49H-N 117.315 8.121 L50H-N 121.522 8.51 S51H-N 113.239 8.92 N53H-N 115.803 7.909 N53HD21-ND2 111.789 7.645 N53HD22-ND2 111.789 6.784 G54H-N 108.111 7.836 G55H-N 107.651 8.663 Y56H-N 122.048 8.019 K57H-N 128.031 8.099 M58H-N 122.508 8.444 V59H-N 120.273 8.18 E60H-N 122.771 8.29 Y61H-N 121.421 8.312 G62H-N 111.398 8.363 G63H-N 108.374 7.982 A64H-N 123.823 8.18 Q65H-N 118.695 8.261 Q65HE21-NE2 112.348 6.761 Q65HE22-NE2 112.348 7.49 A66H-N 123.823 7.953 E67H-N 119.419 8.612 W68H-N 132.946 9.963 W68HE1-NE1 129.539 11.41 A72H-N 120.536 8.334 E73H-N 116.329 7.338 K74H-N 118.104 7.25 V75H-N 122.903 7.425 E76H-N 119.353 8.473 A77H-N 117.578 7.828 Y78H-N 121.588 7.872 L79H-N 119.221 7.953 V80H-N 119.747 7.77 E81H-N 120.405 8.121 K82H-N 115.08 8.473 Q83H-N 111.267 8.971 Q83HE21-NE2 119.679 9.102 Q83HE22-NE2 119.679 8.218 D84H-N 115.277 6.671 T86H-N 108.966 8.539 D87H-N 124.547 7.462 I88H-N 120.733 7.528 K89H-N 124.086 6.708 Y90H-N 126.256 9.059 K91H-N 119.287 9.022 D92H-N 118.301 7.792 D94H-N 118.432 8.011 G95H-N 103.706 7.836 H96H-N 117.907 8.92 T97H-N 117.315 9.931 D98H-N 126.453 9.0 A99H-N 122.574 8.502 I100H-N 116.394 7.513 S101H-N 123.823 8.737 G102H-N 113.568 8.883 A103H-N 122.903 8.011 T104H-N 115.408 9.044 I105H-N 115.014 7.228 K106H-N 120.733 8.707 V107H-N 112.713 8.422 K108H-N 124.875 7.242 K109H-N 116.131 8.737 F110H-N 114.751 6.568 F111H-N 117.512 7.132 D112H-N 120.602 8.861 L113H-N 121.062 7.828 A114H-N 122.574 8.583 Q115H-N 114.948 7.975 Q115HE21-NE2 111.142 7.176 Q115HE22-NE2 111.142 6.95 K116H-N 120.076 7.396 A117H-N 121.062 8.678 L118H-N 112.844 7.33 K119H-N 122.377 7.513 D120H-N 118.235 8.217 A121H-N 121.917 7.609 E122H-N 117.118 7.916 K123H-N 121.325 7.975 L124H-N 123.1 8.239 E125H-N 121.062 8.297 H126H-N 119.682 8.261