Assignment w1 w2 Q1H-N 122.713 8.384 R2H-N 123.064 8.257 A3H-N 126.861 8.273 N6H-N 125.238 8.246 C7H-N 120.693 8.254 A9H-N 123.058 8.352 G10H-N 111.636 8.925 W11H-N 121.518 8.585 Q12H-N 119.49 9.632 L14H-N 122.608 8.388 G15H-N 120.468 9.131 D16H-N 126.695 8.698 R17H-N 118.472 8.086 C18H-N 115.444 8.346 I19H-N 121.562 10.204 Y20H-N 126.099 8.409 Y21H-N 129.296 7.869 E22H-N 131.322 8.718 T23H-N 115.392 7.414 T24H-N 123.081 9.377 A25H-N 131.32 8.599 M26H-N 121.044 8.543 T27H-N 111.791 7.38 W28H-N 122.0 7.976 A29H-N 115.954 8.92 L30H-N 119.498 7.687 A31H-N 126.739 8.974 E32H-N 122.614 8.32 T33H-N 116.926 8.061 N34H-N 122.584 8.82 C35H-N 114.886 8.498 M36H-N 122.074 8.445 K37H-N 124.647 8.454 L38H-N 117.444 7.458 G39H-N 104.594 7.609 G40H-N 109.621 8.57 H41H-N 119.484 8.535 L42H-N 124.651 9.48 A43H-N 123.607 9.268 S44H-N 113.305 6.564 H46H-N 123.1 9.872 S47H-N 112.305 7.048 Q48H-N 119.55 7.58 E49H-N 119.999 8.563 E50H-N 122.02 8.892 H51H-N 120.009 7.571 S52H-N 112.818 9.04 F53H-N 122.126 8.046 I54H-N 120.53 7.942 Q55H-N 119.476 7.837 Q55HE21-NE2 109.552 6.845 Q55HE22-NE2 109.552 6.686 T56H-N 110.298 7.573 L57H-N 119.472 7.236 N58H-N 114.877 7.698 N58HD21-ND2 112.216 7.332 N58HD22-ND2 112.216 6.612 A59H-N 121.552 8.745 G60H-N 107.117 7.979 V61H-N 121.047 7.823 V62H-N 117.535 7.605 W63H-N 121.554 9.314 I64H-N 112.818 8.197 G65H-N 104.079 8.956 G66H-N 113.329 7.581 S67H-N 116.2 8.936 A68H-N 126.698 7.963 C69H-N 115.494 8.267 L70H-N 121.635 7.967 Q71H-N 119.01 7.765 A72H-N 128.265 8.56 G73H-N 110.2 9.03 A74H-N 125.668 7.457 W75H-N 123.1 7.582 T76H-N 113.844 8.909 W77H-N 121.041 8.999 S78H-N 123.085 9.672 D79H-N 118.981 7.988 G80H-N 107.678 8.192 T81H-N 113.844 8.156 M83H-N 124.133 8.869 N84H-N 122.037 9.069 N84HD21-ND2 115.126 8.007 N84HD22-ND2 115.126 7.576 F85H-N 124.133 8.875 R86H-N 123.099 7.307 S87H-N 112.092 2.964 W88H-N 121.157 7.027 C89H-N 122.592 10.165 S90H-N 116.85 8.912 T91H-N 121.039 8.326 K92H-N 120.679 8.149 D94H-N 118.906 7.874 D95H-N 119.495 8.21 L97H-N 128.753 8.627 A98H-N 116.423 7.695 A99H-N 124.163 7.614 C100H-N 112.807 7.664 C101H-N 118.491 8.346 M102H-N 124.13 8.303 Q103H-N 121.578 8.904 M104H-N 120.055 8.663 T105H-N 111.32 7.667 A106H-N 118.427 8.331 A107H-N 120.009 7.093 A108H-N 124.55 8.846 D109H-N 112.82 7.925 Q110H-N 115.4 8.251 C111H-N 109.736 6.789 W112H-N 121.555 8.799 D113H-N 119.505 9.008 C117H-N 125.296 8.86 A119H-N 121.544 8.13 S120H-N 114.861 7.885 H121H-N 122.07 8.936 K122H-N 123.629 8.706 S123H-N 109.739 8.729 V124H-N 114.631 7.199 C125H-N 123.1 9.599 A126H-N 120.442 9.513 M127H-N 120.492 9.116 T128H-N 116.932 8.448 F129H-N 123.098 8.646