Assignment w1 w2 A2H-N 124.206 8.67 Q3H-N 119.21 8.349 Q3HE21-NE2 111.985 6.822 Q3HE22-NE2 111.985 7.497 D4H-N 121.153 8.335 V5H-N 122.818 7.914 D6H-N 125.316 8.766 E7H-N 125.316 9.672 C8H-N 113.103 8.074 S9H-N 113.936 7.426 L10H-N 121.708 7.362 G11H-N 108.107 8.097 A12H-N 125.316 7.948 N13H-N 122.263 8.436 N13HD21-ND2 107.771 7.009 N13HD22-ND2 107.771 7.138 C15H-N 118.655 8.0 E16H-N 121.153 8.471 H17H-N 113.381 8.748 A18H-N 116.712 8.734 G19H-N 102.556 7.14 K20H-N 121.153 8.299 C21H-N 127.814 8.762 I22H-N 131.7 9.646 N23H-N 126.426 9.065 N23HD21-ND2 111.622 6.149 N23HD22-ND2 111.622 7.635 T24H-N 116.989 7.977 L25H-N 123.373 8.662 G26H-N 115.879 9.134 S27H-N 112.826 6.93 F28H-N 118.377 8.884 E29H-N 119.487 9.741 C30H-N 116.712 8.764 Q31H-N 124.761 9.555 Q31HE21-NE2 110.991 6.782 Q31HE22-NE2 110.991 7.566 C32H-N 124.761 8.919 L33H-N 122.54 8.665 Q34H-N 118.655 8.18 Q34HE21-NE2 112.143 6.86 Q34HE22-NE2 112.143 7.605 G35H-N 110.05 8.635 Y36H-N 117.822 7.99 T37H-N 115.046 9.354 G38H-N 108.663 7.864 R40H-N 116.434 9.301 C41H-N 111.993 7.915 E42H-N 120.875 10.958 I43H-N 123.373 8.749 D44H-N 126.426 8.407 V45H-N 128.924 7.904 N46H-N 124.761 8.551 N46HD21-ND2 107.492 6.731 N46HD22-ND2 107.492 7.356 E47H-N 126.704 8.815 C48H-N 113.381 8.346 V49H-N 122.54 7.269 S50H-N 113.659 7.578 N51H-N 115.324 7.856 N51HD21-ND2 112.429 6.691 N51HD22-ND2 112.429 7.472 C53H-N 118.377 7.972 Q54H-N 121.708 8.466 Q54HE21-NE2 111.397 6.732 Q54HE22-NE2 111.397 7.208 N55H-N 111.993 8.792 N55HD21-ND2 110.464 6.722 N55HD22-ND2 110.464 7.568 D56H-N 112.271 8.594 A57H-N 118.377 6.946 T58H-N 116.157 7.987 C59H-N 127.259 8.895 L60H-N 131.145 9.645 D61H-N 125.316 8.392 Q62H-N 125.871 7.94 Q62HE21-NE2 109.439 6.688 Q62HE22-NE2 109.439 6.992 I63H-N 122.818 8.463 G64H-N 118.099 9.377 E65H-N 112.826 6.957 F66H-N 112.826 7.004 Q67H-N 118.099 8.531 Q67HE21-NE2 110.302 6.609 Q67HE22-NE2 110.302 7.405 C68H-N 122.263 9.278 I69H-N 126.149 9.429 C70H-N 123.928 8.653 M71H-N 120.875 8.599 G73H-N 109.218 8.479 Y74H-N 117.822 7.855 E75H-N 117.544 9.447 G76H-N 106.165 8.213 V77H-N 123.373 9.261 H78H-N 113.659 9.055 C79H-N 115.324 8.081 E80H-N 117.544 10.584 V81H-N 125.038 8.847 N82H-N 125.871 8.651 N82HD21-ND2 111.65 6.857 N82HD22-ND2 111.65 7.632 T83H-N 126.149 8.219 D84H-N 127.959 8.999 E85H-N 128.369 8.88 C86H-N 113.936 8.31 A87H-N 125.316 7.205 S88H-N 109.773 7.724 S89H-N 111.993 7.886 C91H-N 114.769 7.398 L92H-N 124.575 8.573 H93H-N 111.438 8.484 N94H-N 107.83 8.612 N94HD21-ND2 112.34 6.833 N94HD22-ND2 112.34 7.47 G95H-N 104.499 7.817 R96H-N 122.131 8.271 C97H-N 126.426 8.854 L98H-N 119.487 9.051 D99H-N 125.038 8.726 K100H-N 125.885 8.186 I101H-N 119.276 7.795 N102H-N 119.366 8.003 E103H-N 111.716 7.127 F104H-N 114.214 7.582 Q105H-N 112.747 9.734 C106H-N 120.32 9.058 E107H-N 125.549 9.546 C108H-N 125.316 8.985 T110H-N 114.476 8.212 G111H-N 112.826 8.63 F112H-N 118.932 7.719