Assignment w1 w2 D2H-N 118.585 8.365 Q3H-N 117.865 8.116 Q3HE21-NE2 112.239 7.568 Q3HE22-NE2 112.239 6.863 L4H-N 121.788 8.31 T5H-N 112.765 8.756 E6H-N 120.106 9.032 E7H-N 119.169 8.735 Q8H-N 120.34 7.735 Q8HE21-NE2 110.844 7.604 Q8HE22-NE2 110.844 6.719 I9H-N 118.293 8.247 A10H-N 120.311 7.937 E11H-N 119.981 7.814 F12H-N 120.183 8.82 K13H-N 121.349 9.24 E14H-N 120.345 8.082 A15H-N 120.703 7.67 F16H-N 117.681 8.54 S17H-N 110.887 8.434 L18H-N 121.001 7.369 F19H-N 114.607 7.401 D20H-N 122.335 7.325 K21H-N 123.543 8.091 D22H-N 117.017 8.736 G23H-N 110.151 8.034 D24H-N 120.643 8.786 G25H-N 111.827 10.188 T26H-N 109.682 7.613 I27H-N 110.364 8.294 T28H-N 110.649 8.349 T29H-N 112.432 8.322 K30H-N 118.805 7.659 E31H-N 117.375 7.536 L32H-N 120.833 7.39 G33H-N 105.354 8.811 T34H-N 118.279 7.528 V35H-N 122.648 7.987 M36H-N 118.416 8.474 R37H-N 119.41 8.525 R37HE-NE 84.796 7.455 S38H-N 118.869 8.139 L39H-N 120.987 7.356 G40H-N 107.079 7.943 Q41H-N 117.612 7.801 Q41HE21-NE2 111.37 7.516 Q41HE22-NE2 111.37 6.707 N42H-N 116.462 8.681 N42HD21-ND2 112.029 7.547 N42HD22-ND2 112.029 6.75 T44H-N 113.054 8.771 E45H-N 120.397 8.876 A46H-N 120.902 8.343 E47H-N 118.813 7.756 L48H-N 120.002 8.354 Q49H-N 117.432 8.084 D50H-N 118.838 7.86 M51H-N 118.969 7.981 I52H-N 118.971 8.345 N53H-N 117.294 8.286 N53HD21-ND2 111.6 7.796 N53HD22-ND2 111.6 6.922 E54H-N 117.239 7.607 V55H-N 112.794 7.643 D56H-N 121.839 8.467 A57H-N 124.889 8.165 D58H-N 114.833 8.445 G59H-N 108.838 7.932 N60H-N 119.648 9.264 N60HD21-ND2 114.077 7.076 N60HD22-ND2 114.077 7.788 G61H-N 109.948 9.96 T62H-N 110.741 7.589 I63H-N 118.801 8.927 D64H-N 124.115 8.44 F65H-N 118.559 8.674 E67H-N 117.492 8.103 F68H-N 122.375 8.5 L69H-N 118.518 8.486 T70H-N 115.405 7.745 M71H-N 121.286 7.765 M72H-N 117.421 8.053 A73H-N 121.021 8.337 R74H-N 116.524 7.493 R74HE-NE 84.231 7.316 K75H-N 118.078 7.733 M76H-N 117.522 7.98 K77H-N 120.311 7.718 D78H-N 121.381 8.256 T79H-N 114.213 8.013 D80H-N 122.459 8.228 S81H-N 117.491 8.677 E82H-N 121.701 8.793 E83H-N 117.905 8.367 E84H-N 118.947 7.903 I85H-N 119.916 8.117 R86H-N 120.119 8.462 R86HE-NE 85.468 8.826 E87H-N 116.463 8.45 A88H-N 121.745 7.634 F89H-N 113.928 7.747 R90H-N 117.053 8.0 R90HE-NE 84.727 7.471 V91H-N 118.643 7.102 F92H-N 115.979 7.247 D93H-N 120.427 7.571 K94H-N 124.245 8.366 D95H-N 116.626 8.526 G96H-N 109.329 8.23 N97H-N 117.958 8.884 N97HD21-ND2 112.576 7.042 N97HD22-ND2 112.576 7.642 G98H-N 109.496 9.772 Y99H-N 117.08 7.911 I100H-N 116.427 8.724 S101H-N 122.843 9.164 A102H-N 127.48 9.04 A103H-N 119.295 8.463 E104H-N 120.708 7.925 L105H-N 119.936 8.585 R106H-N 117.098 8.42 R106HE-NE 83.221 7.515 H107H-N 118.396 7.806 V108H-N 117.447 8.652 M109H-N 112.168 8.165 T110H-N 103.95 7.505 N111H-N 116.358 7.368 N111HD21-ND2 115.802 6.737 N111HD22-ND2 115.802 7.564 L112H-N 119.671 7.626 G113H-N 106.203 9.128 E114H-N 128.836 9.279 K115H-N 115.949 6.88 L116H-N 121.638 8.462 T117H-N 112.042 9.401 D118H-N 120.34 8.772 E119H-N 117.145 8.422 E120H-N 119.628 7.896 V121H-N 118.581 8.827 D122H-N 122.882 8.353 E123H-N 119.781 7.544 M124H-N 120.458 8.195 I125H-N 115.974 8.304 R126H-N 119.515 7.942 R126HE-NE 83.688 7.592 E127H-N 115.677 7.898 A128H-N 119.085 7.966 D129H-N 118.858 8.387 I130H-N 121.783 7.871 D133H-N 119.301 8.42 Q135H-N 120.373 8.283 Q135HE21-NE2 109.903 7.245 Q135HE22-NE2 109.903 6.388 V136H-N 121.125 9.039 N137H-N 126.843 9.079 N137HD21-ND2 111.844 7.305 N137HD22-ND2 111.844 6.924 Y138H-N 122.651 7.237 E139H-N 125.844 8.215 E140H-N 117.558 7.352 F141H-N 120.08 7.584 V142H-N 118.98 8.548 Q143H-N 117.641 7.608 Q143HE21-NE2 113.102 6.894 Q143HE22-NE2 113.102 7.497 M144H-N 118.519 7.744 M145H-N 114.706 7.935 T146H-N 107.783 7.541 A147H-N 126.375 7.425 K148H-N 126.325 8.114 G3H-N 109.71 8.732 S4H-N 114.511 8.254 E5H-N 124.125 9.241 E6H-N 118.693 8.318 V7H-N 117.376 7.678 S8H-N 116.402 8.019 A9H-N 122.461 8.489 M10H-N 115.429 7.617 V11H-N 119.879 7.975 I12H-N 119.244 7.272 Q13H-N 119.577 8.996 R14H-N 117.433 8.816 R14HE-NE 85.362 8.235 A15H-N 122.443 7.96 F16H-N 121.241 9.383 R17H-N 118.824 8.773 R17HE-NE 87.264 8.001 R18H-N 119.962 7.983 R18HE-NE 84.239 7.43 H19H-N 120.592 7.906 L20H-N 119.072 8.29 L21H-N 120.055 7.636 Q22H-N 118.114 8.088 Q22HE21-NE2 111.529 7.489 Q22HE22-NE2 111.529 6.981 R23H-N 118.258 8.004 R23HE-NE 83.824 7.205 S24H-N 114.751 7.846 L25H-N 122.118 7.791 K26H-N 119.452 7.834 H27H-N 118.465 8.152 A28H-N 124.074 8.148 S29H-N 114.332 8.183 F30H-N 121.467 8.124 L31H-N 127.98 7.716