Assignment w1 w2 E2H-N 126.936 8.82 I3H-N 126.547 8.807 Q4H-N 129.353 8.855 Q4HE21-NE2 111.449 7.701 Q4HE22-NE2 111.449 6.836 K5H-N 123.231 8.955 K6H-N 131.494 8.854 L7H-N 116.263 7.619 V8H-N 120.084 8.177 D9H-N 128.543 8.359 S11H-N 114.587 8.59 K12H-N 120.792 8.269 Y13H-N 122.178 7.847 G14H-N 104.155 8.726 T15H-N 113.454 7.266 K16H-N 114.964 7.864 C17H-N 111.68 8.633 Y19H-N 117.857 8.009 T20H-N 111.703 8.22 M21H-N 123.423 8.288 K22H-N 126.574 8.057 K24H-N 121.101 8.549 Y25H-N 113.565 7.8 I26H-N 122.396 8.96 T27H-N 125.284 9.862 V28H-N 128.933 8.85 H29H-N 121.1 8.695 H29HE2-ND1 166.171 11.708 N30H-N 120.442 7.713 N30HD21-ND2 107.508 7.155 N30HD22-ND2 107.508 6.666 T31H-N 113.388 8.221 Y32H-N 117.929 8.949 N33H-N 114.872 8.223 D34H-N 121.984 8.329 A35H-N 122.768 7.282 A37H-N 125.552 10.386 E38H-N 117.4 10.154 N39H-N 120.148 7.059 N39HD21-ND2 111.21 7.633 N39HD22-ND2 111.21 6.999 E40H-N 120.335 8.055 V41H-N 119.168 8.51 S42H-N 114.972 8.199 Y43H-N 121.023 8.233 M44H-N 120.305 7.624 I45H-N 110.879 8.393 S46H-N 114.76 7.465 N47H-N 118.452 7.068 N47HD21-ND2 119.664 7.575 N47HD22-ND2 119.664 5.77 N48H-N 118.642 8.705 N48HD21-ND2 113.034 7.51 N48HD22-ND2 113.034 6.874 N49H-N 118.63 8.568 E50H-N 123.783 8.863 V51H-N 119.82 7.858 S52H-N 118.646 8.242 F53H-N 109.044 6.609 H54H-N 114.056 7.526 H54HE2-ND1 168.612 12.266 I55H-N 118.07 8.084 A56H-N 127.946 9.292 V57H-N 121.795 9.16 D58H-N 128.516 9.386 D59H-N 113.493 9.76 K60H-N 121.431 9.387 K61H-N 121.022 9.247 A62H-N 121.54 8.441 I63H-N 121.225 9.077 Q64H-N 129.406 9.481 Q64HE21-NE2 110.678 7.562 Q64HE22-NE2 110.678 6.946 G65H-N 111.278 8.816 I66H-N 120.349 7.115 L68H-N 121.02 8.067 E69H-N 108.915 7.185 R70H-N 120.335 7.824 R70HE-NE 83.902 7.007 N71H-N 121.213 8.336 N71HD21-ND2 104.255 5.149 N71HD22-ND2 104.255 2.578 A72H-N 114.577 8.22 W73H-N 122.038 7.537 W73HE1-NE1 128.667 9.849 A74H-N 125.752 7.713 C75H-N 113.965 9.514 G76H-N 107.839 8.467 D77H-N 118.642 8.242 G78H-N 112.671 8.541 N79H-N 125.128 8.746 N79HD21-ND2 113.989 7.527 N79HD22-ND2 113.989 6.85 G80H-N 107.759 8.206 S81H-N 111.777 8.008 G82H-N 118.128 9.574 N83H-N 125.936 9.723 N83HD21-ND2 110.935 8.813 N83HD22-ND2 110.935 6.998 R84H-N 112.774 8.39 R84HE-NE 80.905 7.801 Q85H-N 115.308 8.1 Q85HE21-NE2 112.626 7.686 Q85HE22-NE2 112.626 6.956 S86H-N 117.764 7.316 I87H-N 123.849 8.396 S88H-N 130.369 11.857 V89H-N 127.306 9.331 E90H-N 127.275 9.506 I91H-N 122.023 7.617 C92H-N 125.154 8.197 Y93H-N 103.016 6.603 S94H-N 112.95 7.655 K95H-N 126.352 7.262 S96H-N 114.865 10.076 G97H-N 108.967 7.509 G98H-N 112.529 9.096 D99H-N 119.266 8.567 R100H-N 116.042 8.613 R100HE-NE 85.97 6.931 Y101H-N 117.929 6.822 Y102H-N 118.729 7.564 K103H-N 119.675 8.185 A104H-N 124.279 7.585 E105H-N 120.068 8.627 D106H-N 118.935 7.815 N107H-N 121.657 8.446 N107HD21-ND2 109.11 7.978 N107HD22-ND2 109.11 5.868 A108H-N 123.695 8.809 V109H-N 120.16 7.86 D110H-N 118.188 6.75 V111H-N 119.182 7.798 V112H-N 119.777 9.041 R113H-N 119.554 8.421 R113HE-NE 82.672 7.216 Q114H-N 119.331 8.207 Q114HE21-NE2 111.963 7.309 Q114HE22-NE2 111.963 7.186 L115H-N 120.956 8.329 M116H-N 118.386 8.661 S117H-N 112.324 7.588 M118H-N 120.185 8.055 Y119H-N 111.777 7.303 N120H-N 120.782 7.73 I121H-N 121.289 8.034 I123H-N 121.37 8.762 E124H-N 120.993 9.319 N125H-N 121.886 8.513 N125HD21-ND2 107.759 6.574 N125HD22-ND2 107.759 6.871 V126H-N 124.55 7.645 R127H-N 125.128 9.723 R127HE-NE 83.386 7.473 T128H-N 108.576 7.913 H129H-N 122.716 6.541 Q130H-N 120.62 8.386 Q130HE21-NE2 112.409 7.82 Q130HE22-NE2 112.409 6.707 S131H-N 115.263 7.969 W132H-N 119.58 7.505 W132HE1-NE1 130.132 10.573 S133H-N 107.268 7.383 G134H-N 112.864 9.101 K135H-N 122.559 6.692 Y136H-N 128.444 8.783 C137H-N 129.44 8.102 H139H-N 128.438 9.57 R140H-N 122.261 7.145 R140HE-NE 83.098 7.116 M141H-N 115.595 6.651 L142H-N 116.947 7.988 A143H-N 124.281 8.337 E144H-N 112.333 7.914 G145H-N 110.049 7.711 R146H-N 116.016 8.737 R146HE-NE 83.058 9.661 W147H-N 122.721 8.56 W147HE1-NE1 129.181 10.225 G148H-N 105.678 8.52 A149H-N 124.538 8.34 F150H-N 122.39 7.922 I151H-N 118.939 7.821 Q152H-N 118.642 7.778 K153H-N 120.127 7.822 V154H-N 120.78 8.005 K155H-N 119.15 8.156 N156H-N 115.301 8.056 N156HD21-ND2 116.8 6.861 N156HD22-ND2 116.8 8.704 G157H-N 109.181 8.115 N158H-N 118.652 8.287 V159H-N 119.916 7.954 A160H-N 127.69 8.329 T161H-N 113.813 8.092 T162H-N 116.312 8.089 S163H-N 119.924 8.299 T165H-N 118.888 7.712