Assignment w1 w2 G2H-N 110.854 8.549 S3H-N 115.57 8.247 G4H-N 110.833 8.252 I6H-N 120.699 8.107 D7H-N 126.289 8.35 K9H-N 116.779 8.305 E10H-N 119.049 7.85 L11H-N 120.104 7.655 L12H-N 117.445 7.771 K13H-N 120.854 7.596 G14H-N 107.855 8.279 L15H-N 119.635 7.793 D16H-N 118.844 7.954 S17H-N 112.33 8.155 F18H-N 117.604 8.054 L19H-N 119.738 7.47 T20H-N 111.901 9.181 D22H-N 115.18 7.613 G23H-N 107.865 7.907 E24H-N 114.586 7.247 V25H-N 123.031 8.261 K26H-N 125.488 8.414 S27H-N 111.089 8.028 V28H-N 118.947 8.873 D29H-N 120.119 8.238 G30H-N 107.386 8.014 I31H-N 120.295 7.608 A32H-N 124.572 7.92 K33H-N 118.41 7.378 I34H-N 119.289 8.109 F35H-N 121.178 8.961 S36H-N 112.694 7.543 L37H-N 120.867 7.243 M38H-N 121.423 8.362 K39H-N 115.721 7.781 E40H-N 115.213 6.956 A41H-N 123.587 7.612 K43H-N 119.791 7.978 V45H-N 116.513 8.671 S46H-N 117.471 6.823 R47H-N 119.577 8.046 C48H-N 114.326 8.512 T49H-N 117.94 7.73 Y50H-N 118.755 7.753 L51H-N 117.511 8.297 N52H-N 116.252 7.957 N52HD21-ND2 112.345 6.799 N52HD22-ND2 112.345 7.406 I53H-N 119.064 7.425 I54H-N 120.831 7.495 L55H-N 119.216 8.376 Q56H-N 114.549 7.63 Q56HE21-NE2 111.56 6.791 Q56HE22-NE2 111.56 7.349 T57H-N 116.737 7.598 R58H-N 126.548 8.885 A59H-N 124.572 7.681 E61H-N 115.369 9.636 V62H-N 119.861 7.067 L63H-N 119.298 7.426 V64H-N 118.111 8.642 K65H-N 120.156 7.316 F66H-N 116.766 8.006 I67H-N 118.107 7.496 D68H-N 122.393 8.527 V69H-N 111.369 7.974 G70H-N 103.374 7.05 G71H-N 110.922 7.954 Y72H-N 120.292 7.56 K73H-N 123.0 7.555 L74H-N 120.763 7.973 L75H-N 116.164 7.828 N76H-N 118.061 7.435 S77H-N 117.301 7.848 W78H-N 122.508 8.724 W78HE1-NE1 130.234 10.443 L79H-N 125.702 9.241 T80H-N 115.548 8.339 Y81H-N 122.475 8.054 S82H-N 117.34 8.645 K83H-N 122.287 8.556 T84H-N 116.48 8.259 T85H-N 107.717 7.452 N86H-N 121.458 7.603 N86HD21-ND2 111.5 6.809 N86HD22-ND2 111.5 7.473 N87H-N 117.659 8.376 N87HD21-ND2 112.02 6.536 N87HD22-ND2 112.02 7.78 I88H-N 124.001 8.123 L90H-N 117.51 7.167 L91H-N 120.61 8.465 Q92H-N 117.511 8.817 Q92HE21-NE2 109.13 6.51 Q92HE22-NE2 109.13 6.864 Q93H-N 116.44 7.566 Q93HE21-NE2 109.78 6.567 Q93HE22-NE2 109.78 6.77 I94H-N 122.433 9.026 L95H-N 121.329 8.697 L96H-N 118.669 8.403 T97H-N 118.049 8.0 L98H-N 121.541 8.84 Q99H-N 117.173 8.191 Q99HE21-NE2 110.201 6.303 Q99HE22-NE2 110.201 7.718 H100H-N 115.513 7.459 L101H-N 117.102 7.493 L103H-N 122.833 7.665 T104H-N 116.722 10.152 V105H-N 117.323 8.548 D106H-N 117.332 7.277 H107H-N 118.901 6.952 L108H-N 115.977 7.678 K109H-N 114.46 7.378 Q110H-N 117.062 7.723 Q110HE21-NE2 109.565 6.741 Q110HE22-NE2 109.565 7.215 N111H-N 110.422 7.432 N111HD21-ND2 111.0 6.808 N111HD22-ND2 111.0 7.475 T113H-N 118.385 8.296 A114H-N 121.979 8.73 K115H-N 119.035 7.714 L116H-N 120.749 8.383 V117H-N 119.897 8.753 K118H-N 121.027 8.417 Q119H-N 121.02 8.435 Q119HE21-NE2 110.575 6.78 Q119HE22-NE2 110.575 7.396 L120H-N 121.364 8.263 S121H-N 113.311 8.071 K122H-N 117.943 7.202 S123H-N 111.494 8.121 S124H-N 116.808 8.001 E125H-N 126.524 8.995 D126H-N 121.332 7.965 E127H-N 128.495 8.948 E128H-N 119.147 8.168 L129H-N 123.679 8.851 R130H-N 118.251 8.351 K131H-N 119.392 8.033 L132H-N 121.671 7.874 A133H-N 119.549 8.702 S134H-N 112.306 8.116 V135H-N 124.865 7.901 L136H-N 121.51 7.706 V137H-N 115.522 7.97 S138H-N 114.628 7.692 D139H-N 124.844 8.617 W140H-N 122.58 8.998 W140HE1-NE1 128.52 10.644 M141H-N 119.813 9.118 A142H-N 121.305 7.681 V143H-N 120.875 7.823 I144H-N 120.529 8.301 R145H-N 118.992 8.415 S146H-N 113.793 7.916 Q147H-N 119.577 7.772 Q147HE21-NE2 112.2 6.836 Q147HE22-NE2 112.2 7.511 S148H-N 115.219 8.004 G149H-N 110.649 8.338 G151H-N 108.802 8.302 S152H-N 115.739 8.32 G153H-N 110.927 8.51 S156H-N 115.519 8.201 D157H-N 121.891 8.401 L158H-N 120.844 8.043 D159H-N 120.251 8.07 Y160H-N 120.924 8.057 D161H-N 120.258 8.266 S162H-N 115.058 7.988 V163H-N 118.344 7.819 Q164H-N 123.125 8.074 Q164HE21-NE2 111.91 6.719 Q164HE22-NE2 111.91 7.35 Y166H-N 116.698 7.65 F167H-N 117.753 7.7 Y168H-N 120.258 7.773 C169H-N 120.829 8.027 D170H-N 123.07 8.308 E171H-N 120.602 8.316 E172H-N 121.254 8.305 E173H-N 122.082 8.29 N174H-N 125.268 7.996 N174HD21-ND2 112.985 6.804 N174HD22-ND2 112.985 7.454