Assignment w1 w2 Q3H-N 117.064 8.509 Q3HE21-NE2 112.908 7.007 Q3HE22-NE2 112.908 7.788 E4H-N 121.574 7.95 S5H-N 115.674 8.511 R6H-N 122.441 8.276 R7H-N 119.491 8.015 L8H-N 120.359 8.158 S9H-N 116.178 8.09 I10H-N 122.84 8.396 Q11H-N 119.144 8.142 Q11HE21-NE2 111.336 6.886 Q11HE22-NE2 111.336 7.498 R12H-N 120.186 8.33 C13H-N 121.574 8.242 I14H-N 120.012 8.493 Q15H-N 119.665 8.468 Q15HE21-NE2 111.683 6.929 Q15HE22-NE2 111.683 7.585 S16H-N 117.062 8.409 L17H-N 125.564 8.235 V18H-N 119.665 8.603 H19H-N 116.094 8.083 A20H-N 121.747 8.796 C21H-N 111.875 7.909 Q22H-N 116.021 7.357 Q22HE21-NE2 113.072 7.07 Q22HE22-NE2 113.072 7.431 C23H-N 124.35 7.229 R24H-N 129.729 8.966 N25H-N 120.186 7.823 N25HD21-ND2 111.683 7.114 N25HD22-ND2 111.683 7.917 A26H-N 130.423 9.248 N27H-N 113.766 8.085 N27HD21-ND2 113.592 6.978 N27HD22-ND2 113.592 7.715 C28H-N 123.309 7.209 S29H-N 124.87 8.922 L30H-N 128.341 8.513 S32H-N 112.551 8.537 C33H-N 126.085 7.523 Q34H-N 115.711 8.102 Q34HE21-NE2 111.683 6.958 Q34HE22-NE2 111.683 7.581 K35H-N 117.93 8.093 M36H-N 117.062 8.237 K37H-N 120.186 9.107 R38H-N 118.971 7.781 V39H-N 123.829 8.289 V40H-N 119.665 8.318 Q41H-N 118.45 8.263 Q41HE21-NE2 112.377 6.96 Q41HE22-NE2 112.377 7.555 H42H-N 118.971 8.309 T43H-N 114.32 8.056 K44H-N 120.012 7.531 G45H-N 103.528 7.143 C46H-N 123.656 6.988 K47H-N 127.82 9.06 R48H-N 122.615 8.537 K49H-N 117.583 8.522 T50H-N 113.245 7.992 G52H-N 106.651 7.972 G53H-N 107.519 7.765 C54H-N 122.615 8.099 V56H-N 121.227 7.645 C57H-N 122.615 8.565 K58H-N 116.889 7.956 Q59H-N 116.889 7.359 Q59HE21-NE2 106.482 6.453 Q59HE22-NE2 106.482 6.972 L60H-N 118.103 8.303 I61H-N 118.624 8.804 A62H-N 124.003 7.796 L63H-N 117.583 8.011 C64H-N 118.277 8.818 C65H-N 118.971 8.793 Y66H-N 121.574 8.369 H67H-N 117.409 8.633 A68H-N 122.094 8.725 K69H-N 114.807 7.362 H70H-N 112.898 7.011 C71H-N 123.829 7.012 Q72H-N 128.341 9.181 Q72HE21-NE2 112.725 6.839 Q72HE22-NE2 112.725 7.388 E73H-N 123.309 8.396 N74H-N 124.87 8.921 N74HD21-ND2 113.072 7.044 N74HD22-ND2 113.072 7.686 K75H-N 121.574 8.847 C76H-N 124.35 7.191 V78H-N 128.688 8.974 C81H-N 124.176 7.686 L82H-N 114.98 8.267 N83H-N 116.542 7.917 N83HD21-ND2 112.377 7.123 N83HD22-ND2 112.377 7.787 I84H-N 121.747 8.788 K85H-N 119.665 8.954 H86H-N 116.542 8.043 K87H-N 119.318 7.822 L88H-N 119.144 8.405 R89H-N 118.45 7.826 Q90H-N 119.318 7.935 Q90HE21-NE2 112.377 6.899 Q90HE22-NE2 112.377 7.447 Q91H-N 120.706 8.141 Q91HE21-NE2 112.551 6.888 Q91HE22-NE2 112.551 7.642 Q92H-N 126.953 8.042 Q92HE21-NE2 112.551 6.855 Q92HE22-NE2 112.551 7.565 S5H-N 117.16 8.437 E6H-N 123.053 8.458 V7H-N 121.173 8.15 H8H-N 125.31 8.495 S10H-N 116.533 8.889 R11H-N 122.803 8.442 L12H-N 122.552 8.133 Q13H-N 121.298 8.44 Q13HE21-NE2 112.647 6.915 Q13HE22-NE2 112.647 7.597 T14H-N 115.154 8.257 T15H-N 115.029 8.24 D16H-N 122.427 8.293 N17H-N 118.916 8.272 N17HD21-ND2 112.772 6.934 N17HD22-ND2 112.772 7.627 L18H-N 121.173 8.204 L19H-N 117.286 7.416 M21H-N 116.784 8.932 S22H-N 119.167 8.956 E24H-N 116.283 8.877 E25H-N 121.298 7.789 F26H-N 119.543 8.73 D27H-N 121.549 8.587 E28H-N 119.793 7.383 V29H-N 118.54 8.246 S30H-N 115.154 8.384 R31H-N 121.549 7.683 R31HE-NE 84.31 7.476 I32H-N 119.167 7.703 V33H-N 116.157 8.293 G34H-N 108.258 7.868 S35H-N 116.408 8.366 V36H-N 122.928 7.897 E37H-N 124.057 8.468 F38H-N 122.427 8.222 D39H-N 120.044 8.602 S40H-N 114.527 8.143 M41H-N 120.044 7.93 M42H-N 117.035 7.784 N43H-N 117.537 7.96 N43HD21-ND2 112.772 6.94 N43HD22-ND2 112.772 7.629 T44H-N 114.026 8.039 V45H-N 125.812 7.69