Assignment w1 w2 L3H-N 123.183 8.274 R4H-N 124.863 8.854 G6H-N 113.215 8.685 D7H-N 119.938 7.993 Y14H-N 110.37 7.68 L15H-N 114.37 8.383 G16H-N 107.414 8.185 R17H-N 124.649 8.065 R17HE-NE 83.927 7.185 F18H-N 121.525 8.164 Y19H-N 118.86 8.588 Q20H-N 115.91 7.857 Q20HE21-NE2 115.733 7.946 Q20HE22-NE2 115.733 6.858 D21H-N 120.34 7.794 L22H-N 116.569 7.632 K23H-N 117.123 7.567 D24H-N 121.88 8.822 R25H-N 116.617 7.62 R25HE-NE 86.238 7.104 D26H-N 120.034 7.995 V27H-N 117.877 7.634 T28H-N 121.462 8.265 F29H-N 129.796 9.048 S30H-N 117.777 7.607 A32H-N 117.827 8.378 T33H-N 114.776 7.364 I34H-N 121.362 8.282 E35H-N 119.803 8.545 N36H-N 115.955 7.513 N36HD21-ND2 112.717 7.681 N36HD22-ND2 112.717 6.905 E37H-N 117.896 8.572 L38H-N 125.242 9.077 I39H-N 120.819 8.003 K40H-N 119.156 7.472 F41H-N 124.241 8.931 C42H-N 115.847 8.817 R43H-N 121.644 7.81 E44H-N 114.066 7.298 A45H-N 123.423 7.188 R46H-N 121.278 9.228 E49H-N 116.797 7.882 N50H-N 118.757 6.717 N50HD21-ND2 113.594 7.748 N50HD22-ND2 113.594 7.086 R51H-N 117.784 7.288 L52H-N 119.066 7.542 C53H-N 115.758 7.567 Y54H-N 121.922 8.092 Y55H-N 120.619 8.479 I56H-N 109.784 7.821 G57H-N 106.283 7.532 A58H-N 121.472 8.281 T59H-N 106.219 7.05 D60H-N 120.525 8.727 D61H-N 115.746 8.448 A62H-N 122.904 7.243 A63H-N 124.651 8.148 T64H-N 112.03 7.748 I66H-N 118.35 7.686 I67H-N 122.152 7.454 N68H-N 120.614 8.47 N68HD21-ND2 112.418 7.681 N68HD22-ND2 112.418 6.915 E69H-N 117.277 8.168 V70H-N 114.701 7.771 S71H-N 115.731 8.677 K72H-N 120.178 7.528 L74H-N 119.103 7.684 A75H-N 119.142 7.751 H76H-N 113.619 7.275 H77H-N 114.5 8.029 I78H-N 122.693 7.646 V80H-N 120.679 8.484 E81H-N 120.623 9.827 K82H-N 117.499 7.155 I83H-N 121.933 7.678 C84H-N 117.03 8.707 K86H-N 119.324 7.603 L87H-N 120.427 8.424 K88H-N 119.38 7.99 K89H-N 113.949 7.056 K90H-N 118.111 7.434 D91H-N 117.036 7.961 S92H-N 122.29 8.793 Q93H-N 121.05 8.645 Q93HE21-NE2 112.97 7.898 Q93HE22-NE2 112.97 6.66 I94H-N 117.376 7.532 K98H-N 119.494 7.318 Y99H-N 120.545 8.785 D100H-N 121.793 8.737 K101H-N 121.691 8.425 Q102H-N 121.818 8.404 Q102HE21-NE2 112.257 7.563 Q102HE22-NE2 112.257 6.875 I103H-N 122.597 8.333 D104H-N 125.104 8.436 L105H-N 126.486 8.766 S106H-N 114.365 8.585 T107H-N 109.438 7.559 V108H-N 121.922 7.415 D109H-N 124.796 8.246 L110H-N 125.808 8.599 K111H-N 112.352 7.957 K112H-N 117.031 7.549 L113H-N 120.434 7.161 R114H-N 118.238 8.702 V115H-N 122.497 8.911 K116H-N 116.466 8.353 E117H-N 117.685 6.963 L118H-N 121.27 7.68 K119H-N 117.255 8.296 K120H-N 118.308 7.048 I121H-N 118.333 6.964 L122H-N 115.382 6.572 D123H-N 120.978 8.85 D124H-N 122.295 8.553 W125H-N 119.794 7.467 W125HE1-NE1 125.71 9.78 G126H-N 108.451 8.178 E127H-N 119.773 8.091 T128H-N 112.87 8.353 C132H-N 118.489 7.353 A133H-N 126.184 9.277 E134H-N 117.521 8.27 S136H-N 111.523 8.82 D137H-N 121.927 7.639 Y138H-N 118.008 7.334 I139H-N 118.948 8.165 R140H-N 118.486 7.929 K141H-N 119.194 7.442 I142H-N 119.465 8.603 N143H-N 117.311 8.595 N143HD21-ND2 109.715 7.265 N143HD22-ND2 109.715 6.631 E144H-N 119.528 8.043 L145H-N 116.85 7.876 M146H-N 122.178 8.387 K148H-N 114.718 7.351 Y149H-N 115.33 6.961 A150H-N 124.482 8.459 K152H-N 119.671 8.326 A153H-N 124.201 7.966 A154H-N 121.571 8.192 S155H-N 113.38 8.035 A156H-N 124.845 7.966 R157H-N 119.576 8.007 T158H-N 113.604 8.276 D159H-N 122.38 8.455 L160H-N 127.06 7.618