Assignment w1 w2 D2H-N 120.408 8.65 Q3H-N 119.406 8.349 L4H-N 122.558 8.276 T5H-N 112.406 8.661 E6H-N 120.053 9.017 E7H-N 118.929 8.666 Q8H-N 119.631 7.727 I9H-N 119.286 8.356 A10H-N 120.74 8.038 E11H-N 118.942 7.848 F12H-N 119.64 8.607 K13H-N 122.92 9.215 E14H-N 119.254 7.733 A15H-N 121.803 8.028 F16H-N 118.544 8.755 S17H-N 112.66 8.095 L18H-N 120.184 7.405 F19H-N 114.926 7.085 D20H-N 116.333 7.759 K21H-N 123.905 7.658 D22H-N 113.617 8.171 G23H-N 108.896 7.724 D24H-N 120.446 8.484 G25H-N 112.712 10.627 T26H-N 111.977 8.241 I27H-N 126.544 9.93 T28H-N 115.935 8.389 T29H-N 112.731 9.171 K30H-N 120.172 7.604 E31H-N 121.065 7.717 L32H-N 119.776 8.639 G33H-N 105.213 8.704 T34H-N 117.782 7.995 V35H-N 121.773 7.846 M36H-N 117.819 8.608 R37H-N 118.513 8.517 S38H-N 118.269 7.966 L39H-N 120.296 7.434 G40H-N 106.425 7.894 Q41H-N 117.557 7.798 Q41HE21-NE2 110.556 7.41 Q41HE22-NE2 110.556 6.779 N42H-N 116.151 8.702 N42HD21-ND2 114.422 7.767 N42HD22-ND2 114.422 6.968 T44H-N 112.272 8.665 E45H-N 120.212 8.823 A46H-N 120.147 8.27 E47H-N 118.332 7.695 L48H-N 119.439 8.127 Q49H-N 117.775 8.247 Q49HE21-NE2 112.455 7.516 Q49HE22-NE2 112.455 6.931 D50H-N 119.405 8.121 M51H-N 118.728 7.922 I52H-N 117.735 7.588 N53H-N 117.691 8.709 N53HD21-ND2 110.953 7.837 N53HD22-ND2 110.953 6.972 E54H-N 115.838 7.69 V55H-N 110.912 7.215 D56H-N 120.629 7.761 A57H-N 131.226 8.244 D58H-N 113.496 8.258 G59H-N 108.087 7.613 N60H-N 118.324 8.195 G61H-N 112.871 10.573 T62H-N 108.099 7.694 I63H-N 123.323 8.824 D64H-N 127.718 8.893 F65H-N 118.282 8.988 E67H-N 116.98 8.174 F68H-N 122.872 8.671 L69H-N 119.155 8.675 T70H-N 114.017 7.546 M71H-N 119.16 7.618 M72H-N 115.879 8.189 A73H-N 120.06 7.897 R74H-N 116.115 7.477 K75H-N 118.389 7.773 M76H-N 117.535 7.975 K77H-N 119.562 7.755 D78H-N 120.459 8.165 T79H-N 113.759 8.04 D80H-N 122.666 8.427 S81H-N 117.057 8.456 E82H-N 122.235 8.51 E83H-N 119.203 8.225 E84H-N 117.902 8.116 I85H-N 119.58 8.002 R86H-N 121.213 8.375 E87H-N 117.579 8.361 A88H-N 120.095 8.353 F89H-N 118.86 8.835 R90H-N 114.46 7.628 V91H-N 117.632 7.412 F92H-N 114.928 7.206 D93H-N 114.746 7.891 K94H-N 124.29 7.418 D95H-N 113.716 8.443 G96H-N 109.038 7.901 N97H-N 119.49 8.433 N97HD21-ND2 116.123 8.092 N97HD22-ND2 116.123 7.406 G98H-N 112.415 10.765 Y99H-N 115.788 7.695 I100H-N 126.892 10.276 S101H-N 123.234 8.996 A102H-N 122.755 9.335 A103H-N 118.198 8.316 E104H-N 119.337 7.945 L105H-N 120.144 8.627 R106H-N 117.74 8.713 H107H-N 117.72 7.887 V108H-N 119.959 8.44 M109H-N 115.295 8.436 T110H-N 115.318 8.126 N111H-N 122.63 7.999 N111HD21-ND2 111.625 7.517 N111HD22-ND2 111.625 6.72 L112H-N 117.455 7.906 G113H-N 107.043 7.914 E114H-N 119.028 7.859 K115H-N 123.982 8.654 L116H-N 124.274 8.053 T117H-N 113.635 9.126 D118H-N 120.87 8.913 E119H-N 118.815 8.627 E120H-N 120.193 7.775 V121H-N 121.619 8.027 D122H-N 119.587 8.185 E123H-N 119.238 8.19 M124H-N 118.205 7.771 I125H-N 119.224 7.877 R126H-N 117.057 8.512 E127H-N 115.021 8.281 A128H-N 116.627 7.225 N129H-N 117.321 7.898 I130H-N 127.388 8.276 D131H-N 116.226 8.412 G132H-N 108.352 7.677 D133H-N 120.564 8.428 G134H-N 112.342 10.318 Q135H-N 114.483 7.979 Q135HE21-NE2 108.133 6.504 Q135HE22-NE2 108.133 5.976 V136H-N 124.979 9.145 N137H-N 128.916 9.629 N137HD21-ND2 111.858 7.504 N137HD22-ND2 111.858 7.329 Y138H-N 118.187 8.343 E139H-N 117.957 8.034 E140H-N 119.391 8.705 F141H-N 123.444 8.474 V142H-N 118.366 8.612 Q143H-N 119.002 7.803 Q143HE21-NE2 111.126 7.352 Q143HE22-NE2 111.126 6.709 M144H-N 116.678 7.389 M145H-N 112.325 7.305 T146H-N 108.155 7.473 A147H-N 126.675 7.861 K148H-N 126.4 8.008 S2H-N 120.637 8.193 R3H-N 125.365 8.654 A4H-N 120.862 8.193 K5H-N 118.064 7.9 A6H-N 120.253 7.778 N7H-N 118.243 8.372 W8H-N 121.805 8.533 W8HE1-NE1 129.285 10.381 L9H-N 118.722 8.264 R10H-N 120.684 8.264 A11H-N 121.482 8.067 F12H-N 117.615 9.052 N13H-N 116.425 8.602 K14H-N 119.958 8.076 V15H-N 121.488 8.41 R16H-N 119.209 8.639 M17H-N 117.427 7.701 Q18H-N 119.752 7.733 L19H-N 120.063 8.151 Q20H-N 118.054 7.911 E21H-N 119.803 7.975 A22H-N 121.648 7.726 R23H-N 117.484 7.645 G24H-N 107.622 7.961 E25H-N 120.497 8.163 G26H-N 108.85 8.35 E27H-N 120.369 8.142 M28H-N 120.436 8.348 S29H-N 115.589 8.125 K30H-N 122.255 7.986 S31H-N 114.856 7.972 L32H-N 123.172 8.017 W33H-N 117.409 7.636 W33HE1-NE1 130.113 9.797 F34H-N 119.308 7.377 K35H-N 123.484 7.864 G36H-N 115.197 7.381