Assignment w1 w2 Q3H-N 122.005 8.408 Q3HE21-NE2 112.029 7.562 Q3HE22-NE2 112.029 6.828 T4H-N 117.882 8.334 I5H-N 127.927 9.099 K6H-N 131.988 10.696 C7H-N 131.971 9.511 V8H-N 129.106 7.638 V9H-N 127.105 8.389 V10H-N 116.9 8.867 G11H-N 107.414 6.583 D12H-N 118.532 8.35 G13H-N 105.409 8.637 A14H-N 123.193 9.476 V15H-N 110.8 7.673 G16H-N 109.807 8.531 K17H-N 126.203 9.517 T18H-N 119.13 9.212 C19H-N 119.432 9.376 L20H-N 121.863 8.174 L21H-N 118.627 7.431 I22H-N 121.698 8.782 S23H-N 119.097 8.868 Y24H-N 117.782 8.005 T25H-N 106.294 7.767 T26H-N 110.239 8.129 N27H-N 116.194 7.636 N27HD21-ND2 112.634 6.82 N27HD22-ND2 112.634 7.446 K28H-N 118.88 7.69 F29H-N 125.903 8.547 S31H-N 117.509 8.11 D39H-N 115.013 7.748 N40H-N 115.143 7.971 N40HD21-ND2 112.814 6.608 N40HD22-ND2 112.814 7.251 Y41H-N 117.274 8.841 A42H-N 122.263 7.548 V43H-N 118.328 8.756 T44H-N 121.542 8.609 V45H-N 127.619 9.437 M46H-N 123.205 8.493 I47H-N 125.955 9.169 G48H-N 121.49 9.157 G49H-N 105.361 8.62 E50H-N 121.196 7.75 Y52H-N 121.47 9.164 T53H-N 118.445 8.81 L54H-N 131.771 9.51 G55H-N 116.172 9.738 L56H-N 125.872 8.713 F57H-N 123.529 8.992 T59H-N 119.475 8.342 A60H-N 124.914 8.28 G61H-N 123.055 8.183 L62H-N 116.877 7.88 E63H-N 122.592 9.102 D64H-N 118.158 8.619 L71H-N 118.842 7.498 S72H-N 112.695 7.99 Y73H-N 120.26 7.247 Q75H-N 115.238 9.036 Q75HE21-NE2 112.111 7.548 Q75HE22-NE2 112.111 6.82 T76H-N 117.073 7.441 D77H-N 124.711 8.891 V78H-N 116.66 7.612 F79H-N 122.716 8.376 L80H-N 119.623 8.991 V81H-N 125.19 8.842 C82H-N 124.405 9.009 F83H-N 118.317 8.931 S84H-N 113.994 8.126 V85H-N 121.14 8.65 V86H-N 108.337 7.617 S87H-N 113.227 7.82 S90H-N 121.25 8.069 F91H-N 125.736 7.479 E92H-N 119.97 8.187 N93H-N 114.902 8.137 N93HD21-ND2 116.73 6.759 N93HD22-ND2 116.73 10.273 V94H-N 124.538 7.886 K95H-N 115.807 6.684 E96H-N 113.158 7.665 K97H-N 116.355 8.105 W98H-N 120.7 7.748 W98HE1-NE1 133.817 11.703 V99H-N 117.319 8.616 E101H-N 117.662 7.566 I102H-N 113.455 8.247 T103H-N 113.492 7.865 H104H-N 120.462 7.585 H105H-N 113.883 7.183 C106H-N 117.722 8.509 K108H-N 116.728 8.814 T109H-N 120.971 7.629 F111H-N 112.883 8.224 L112H-N 120.431 8.688 L113H-N 122.587 8.093 V114H-N 126.436 9.244 G115H-N 115.781 8.792 T116H-N 116.19 9.26 Q117H-N 109.218 9.393 I118H-N 106.624 7.657 D119H-N 119.688 8.744 L120H-N 118.428 7.945 R121H-N 117.376 7.291 D122H-N 112.223 7.112 D123H-N 122.761 7.276 S125H-N 113.079 8.337 T126H-N 122.42 7.948 I127H-N 122.027 8.253 E128H-N 120.869 8.274 K129H-N 121.258 7.933 L130H-N 119.158 8.169 A131H-N 123.15 8.516 K132H-N 120.963 8.084 N133H-N 116.278 7.44 N133HD21-ND2 112.732 6.936 N133HD22-ND2 112.732 7.44 K134H-N 114.567 8.133 Q135H-N 116.55 8.14 Q135HE21-NE2 110.704 6.841 Q135HE22-NE2 110.704 7.492 K136H-N 119.172 8.007 I138H-N 122.795 9.16 T139H-N 119.065 8.011 E141H-N 115.3 8.592 T142H-N 118.824 7.601 A143H-N 126.141 7.609 E144H-N 118.554 8.815 K145H-N 119.418 7.316 L146H-N 120.267 7.336 A147H-N 119.44 8.513 R148H-N 116.681 7.744 D149H-N 122.557 8.466 L150H-N 115.947 8.383 K151H-N 112.386 7.663 A152H-N 120.276 8.268 V153H-N 121.363 8.74 K154H-N 108.891 6.921 Y155H-N 120.883 8.639 V156H-N 122.092 8.306 E157H-N 113.69 8.043 C158H-N 112.254 8.858 S159H-N 110.81 8.28 A160H-N 132.942 9.349 L161H-N 118.999 7.404 T162H-N 106.783 8.117 Q163H-N 113.332 7.493 Q163HE21-NE2 111.643 6.541 Q163HE22-NE2 111.643 7.26 K164H-N 124.396 7.875 G165H-N 115.129 9.178 L166H-N 121.585 7.425 K167H-N 117.41 8.591 N168H-N 115.401 8.136 N168HD21-ND2 114.33 7.338 N168HD22-ND2 114.33 7.99 V169H-N 117.555 7.373 F170H-N 114.663 6.41 D171H-N 121.437 8.015 E172H-N 116.457 8.076 A173H-N 124.458 7.982 I174H-N 116.722 7.739 L175H-N 117.272 7.686 A176H-N 119.391 7.93 A177H-N 118.207 7.704 L178H-N 116.018 7.485 E179H-N 121.831 7.55