Assignment w1 w2 F3H-N 124.345 8.616 T4H-N 122.448 7.222 V5H-N 123.674 8.039 S6H-N 125.564 9.738 T7H-N 116.655 9.682 T8H-N 115.663 8.92 E9H-N 121.537 8.374 D10H-N 120.866 7.46 L11H-N 117.949 8.05 Q12H-N 117.588 7.971 Q12HE21-NE2 111.657 6.948 Q12HE22-NE2 111.657 7.442 R13H-N 121.695 7.457 Y14H-N 119.715 8.656 R15H-N 119.798 9.013 T16H-N 115.935 7.862 E17H-N 122.239 8.785 C18H-N 118.811 8.863 V19H-N 120.32 8.782 S20H-N 112.771 7.778 S21H-N 116.868 8.663 L22H-N 118.546 7.829 N23H-N 118.801 7.794 N23HD21-ND2 112.319 7.518 N23HD22-ND2 112.319 6.772 I24H-N 120.087 8.009 A26H-N 124.353 8.718 D27H-N 114.937 8.978 Y28H-N 118.506 7.361 V29H-N 118.419 7.181 E30H-N 115.365 7.433 K31H-N 119.023 6.742 F32H-N 119.665 8.518 K33H-N 120.284 8.28 K34H-N 117.625 7.341 W35H-N 119.046 7.946 W35HE1-NE1 129.053 10.328 E36H-N 121.293 7.596 F37H-N 119.064 8.159 E39H-N 121.796 8.465 D40H-N 122.212 7.866 D41H-N 120.044 8.788 T42H-N 118.198 8.152 T43H-N 119.934 8.169 M44H-N 119.654 8.738 C45H-N 113.985 8.266 Y46H-N 125.857 7.814 I47H-N 120.242 7.987 K48H-N 118.632 7.817 C49H-N 117.971 7.693 V50H-N 121.459 8.045 F51H-N 119.179 8.772 N52H-N 121.059 9.59 N52HD21-ND2 107.854 7.232 N52HD22-ND2 107.854 7.908 K53H-N 121.961 8.118 M54H-N 114.168 7.76 Q55H-N 112.686 7.883 Q55HE21-NE2 111.669 7.533 Q55HE22-NE2 111.669 6.714 L56H-N 111.112 8.299 F57H-N 118.252 7.082 D58H-N 132.906 7.945 D59H-N 124.97 8.667 T60H-N 112.193 8.127 E61H-N 120.834 9.131 G62H-N 111.948 8.273 L64H-N 126.446 7.873 V65H-N 123.319 7.766 D66H-N 117.698 8.429 N67H-N 120.342 7.258 N67HD21-ND2 110.064 8.21 N67HD22-ND2 110.064 7.015 L68H-N 121.103 8.282 V69H-N 117.809 8.273 H70H-N 114.936 7.315 Q71H-N 118.88 8.512 L72H-N 113.476 8.251 A73H-N 119.529 7.593 H74H-N 114.44 8.417 G75H-N 106.981 8.598 R76H-N 121.202 7.708 D77H-N 120.991 8.375 A78H-N 128.079 8.549 E79H-N 117.318 8.292 E80H-N 121.057 7.861 V81H-N 118.873 7.856 R82H-N 121.197 8.61 T83H-N 113.297 7.723 E84H-N 119.792 7.378 V85H-N 119.715 8.711 L86H-N 117.706 8.466 K87H-N 117.603 7.325 C88H-N 114.862 7.918 V89H-N 123.148 7.465 D90H-N 128.553 8.3 K91H-N 119.253 8.259 N92H-N 117.565 7.797 N92HD21-ND2 107.888 6.305 N92HD22-ND2 107.888 7.323 T93H-N 115.93 7.878 D94H-N 118.463 8.075 N95H-N 114.826 7.445 N95HD21-ND2 112.619 6.762 N95HD22-ND2 112.619 7.523 N96H-N 116.238 7.744 N96HD21-ND2 114.505 7.466 N96HD22-ND2 114.505 6.935 A97H-N 128.572 9.253 C98H-N 113.798 8.212 H99H-N 118.84 7.918 W100H-N 121.006 8.681 W100HE1-NE1 128.916 9.729 A101H-N 120.497 7.94 F102H-N 117.145 7.928 R103H-N 118.886 8.52 G104H-N 106.394 7.333 F105H-N 120.285 7.587 K106H-N 117.699 8.353 C107H-N 120.734 7.407 F108H-N 122.39 8.91 Q109H-N 116.75 8.008 K110H-N 121.124 8.041 N111H-N 115.904 7.605 N111HD21-ND2 116.185 7.171 N111HD22-ND2 116.185 7.584 N112H-N 113.164 7.899 N112HD21-ND2 113.361 7.647 N112HD22-ND2 113.361 6.852 L113H-N 120.372 8.212 S114H-N 117.119 8.459 K117H-N 124.953 8.065 A118H-N 127.184 8.271 S119H-N 115.866 8.271 I120H-N 122.656 8.141 K121H-N 126.379 8.355 K122H-N 125.108 8.503 D123H-N 127.485 7.996