Assignment w1 w2 Q3H-N 118.609 8.196 Q3HE21-NE2 112.559 6.846 Q3HE22-NE2 112.559 7.547 L4H-N 122.031 8.289 T5H-N 113.046 8.75 E6H-N 120.378 9.019 E7H-N 119.459 8.728 Q8H-N 120.674 7.716 Q8HE21-NE2 111.225 6.693 Q8HE22-NE2 111.225 7.604 I9H-N 118.607 8.222 A10H-N 120.522 7.908 E11H-N 120.344 7.778 F12H-N 120.437 8.783 K13H-N 121.646 9.228 E14H-N 120.618 8.062 A15H-N 120.957 7.645 F16H-N 117.945 8.52 S17H-N 111.178 8.417 L18H-N 121.275 7.345 F19H-N 114.829 7.369 D20H-N 122.617 7.3 K21H-N 123.809 8.06 D22H-N 117.261 8.72 G23H-N 110.414 7.998 D24H-N 120.847 8.753 G25H-N 112.17 10.172 T26H-N 110.078 7.59 T28H-N 110.892 8.323 T29H-N 112.718 8.294 K30H-N 119.103 7.637 E31H-N 117.729 7.506 L32H-N 121.082 7.363 G33H-N 105.652 8.794 T34H-N 118.509 7.501 V35H-N 122.97 7.956 M36H-N 118.66 8.448 R37H-N 119.701 8.502 S38H-N 119.219 8.108 L39H-N 121.244 7.332 G40H-N 107.391 7.926 Q41H-N 117.942 7.766 Q41HE21-NE2 111.487 6.668 Q41HE22-NE2 111.487 7.506 N42H-N 116.767 8.658 N42HD21-ND2 112.34 6.732 N42HD22-ND2 112.34 7.526 T44H-N 113.333 8.751 E45H-N 120.685 8.854 A46H-N 121.164 8.321 E47H-N 119.089 7.728 L48H-N 120.319 8.337 Q49H-N 117.75 8.063 D50H-N 119.087 7.831 M51H-N 119.27 7.942 I52H-N 119.26 8.323 N53H-N 117.551 8.255 N53HD21-ND2 111.939 6.908 N53HD22-ND2 111.939 7.777 E54H-N 117.536 7.576 V55H-N 113.232 7.632 D56H-N 122.155 8.454 A57H-N 125.145 8.15 D58H-N 115.031 8.433 G59H-N 109.177 7.907 N60H-N 119.953 9.254 N60HD21-ND2 114.51 7.059 N60HD22-ND2 114.51 7.776 G61H-N 110.393 9.978 T62H-N 110.958 7.559 I63H-N 119.045 8.905 D64H-N 124.712 8.551 F65H-N 118.917 8.644 E67H-N 117.877 8.066 F68H-N 122.64 8.46 L69H-N 118.851 8.458 T70H-N 115.696 7.729 M71H-N 121.623 7.74 M72H-N 117.748 8.029 A73H-N 121.342 8.317 R74H-N 116.803 7.475 K75H-N 118.39 7.712 M76H-N 117.645 7.923 K77H-N 120.565 7.674 D78H-N 121.708 8.266 T79H-N 114.405 7.981 D80H-N 122.779 8.248 S81H-N 117.341 8.557 E82H-N 122.617 8.791 E83H-N 117.948 8.355 E84H-N 119.0 7.857 I85H-N 119.679 8.038 R86H-N 120.515 8.487 E87H-N 116.498 8.396 A88H-N 122.272 7.59 F89H-N 114.099 7.664 R90H-N 117.572 7.998 V91H-N 118.92 7.056 F92H-N 116.53 7.334 D93H-N 120.664 7.535 K94H-N 125.129 8.424 D95H-N 116.93 8.482 G96H-N 109.819 8.299 N97H-N 118.025 8.78 N97HD21-ND2 112.681 7.013 N97HD22-ND2 112.681 7.606 G98H-N 109.87 9.677 Y99H-N 117.691 7.961 I100H-N 116.243 8.702 S101H-N 122.445 9.108 A102H-N 128.587 9.02 A103H-N 119.743 8.462 E104H-N 120.939 7.861 L105H-N 119.996 8.51 R106H-N 117.518 8.408 H107H-N 119.044 7.793 V108H-N 117.875 8.56 M109H-N 112.266 8.176 T110H-N 103.947 7.478 N111H-N 116.567 7.438 N111HD21-ND2 116.339 6.724 N111HD22-ND2 116.339 7.509 L112H-N 120.035 7.653 G113H-N 106.226 9.022 E114H-N 129.87 9.316 K115H-N 115.897 6.828 L116H-N 122.585 8.447 T117H-N 111.965 9.293 D118H-N 120.522 8.742 E119H-N 117.458 8.401 E120H-N 119.686 7.836 V121H-N 119.23 8.685 D122H-N 123.005 8.334 E123H-N 120.309 7.377 M124H-N 121.925 8.002 I125H-N 115.607 8.29 R126H-N 120.04 7.775 E127H-N 115.527 7.814 A128H-N 120.005 8.005 D129H-N 119.236 8.338 I130H-N 122.419 7.813 G132H-N 108.327 8.196 D133H-N 119.607 8.39 Q135H-N 120.669 8.306 Q135HE21-NE2 110.262 6.394 Q135HE22-NE2 110.262 7.263 V136H-N 120.86 9.084 N137H-N 126.864 9.047 Y138H-N 122.537 7.198 E139H-N 126.404 8.191 E140H-N 117.564 7.339 F141H-N 119.997 7.364 V142H-N 119.431 8.413 Q143H-N 118.482 7.798 M144H-N 119.08 7.754 M145H-N 114.172 7.838 T146H-N 107.983 7.575 A147H-N 126.376 7.395 K148H-N 126.442 8.097 S4H-N 115.924 8.179 K5H-N 124.096 8.456 R6H-N 120.715 8.189 K7H-N 121.311 8.292 Q8H-N 119.967 8.347 E9H-N 120.732 8.876 E10H-N 119.109 7.934 V11H-N 116.473 7.814 S12H-N 115.895 7.973 A13H-N 123.361 8.348 I14H-N 117.173 7.676 I15H-N 119.87 7.671 I16H-N 119.97 7.441 Q17H-N 120.401 9.105 R18H-N 117.024 9.081 A19H-N 122.81 7.983 Y20H-N 122.236 9.325 R21H-N 118.222 8.652 R22H-N 119.497 7.934 Y23H-N 123.132 7.881 L24H-N 120.413 8.441 L25H-N 118.616 7.496 K26H-N 118.783 7.616 Q27H-N 116.972 7.734 K28H-N 119.342 7.74 V29H-N 118.304 7.643 K30H-N 125.12 8.051 K31H-N 128.57 7.918 D78H-N 122.441 8.603 T79H-N 113.332 7.999 D80H-N 122.524 8.221 S81H-N 116.818 8.475 K7H-N 120.922 8.215 Q8H-N 119.434 8.252 E9H-N 120.909 8.724 E10H-N 119.254 7.99 A13H-N 123.391 8.397