Assignment w1 w2 S2H-N 110.845 8.128 I3H-N 121.74 7.989 E4H-N 125.919 8.47 I5H-N 123.008 8.222 Y6H-N 109.451 7.513 D8H-N 117.358 7.904 D9H-N 121.829 8.196 G10H-N 107.549 8.569 N11H-N 118.906 8.401 N11HD21-ND2 111.422 7.04 N11HD22-ND2 111.422 7.04 T12H-N 123.337 8.924 L13H-N 113.368 7.287 Y15H-N 113.244 7.966 Q16H-N 126.124 7.339 V17H-N 119.464 7.821 F18H-N 125.732 9.038 L19H-N 119.111 8.067 N20H-N 128.285 8.604 N20HD21-ND2 107.649 7.048 N20HD22-ND2 107.649 7.092 L21H-N 120.695 8.46 E22H-N 125.375 8.137 N23H-N 117.223 8.826 N23HD21-ND2 111.746 6.937 N23HD22-ND2 111.746 7.492 E24H-N 123.855 8.969 H25H-N 119.645 8.657 Y26H-N 115.549 7.534 Y27H-N 122.147 7.64 A28H-N 119.007 8.448 Q29H-N 119.82 8.079 Q29HE21-NE2 109.647 6.7 Q29HE22-NE2 109.647 6.923 A30H-N 121.467 7.941 I31H-N 115.706 7.924 Q32H-N 120.527 7.831 Q32HE21-NE2 111.037 6.742 Q32HE22-NE2 111.037 7.331 L33H-N 121.489 7.766 A34H-N 118.091 7.556 Q35H-N 116.676 8.334 Q35HE21-NE2 111.592 6.654 Q35HE22-NE2 111.592 7.288 L36H-N 121.639 7.494 F37H-N 110.907 6.188 A38H-N 117.99 6.927 H39H-N 109.894 8.714 E40H-N 123.721 7.704 V41H-N 109.801 7.288 D42H-N 119.336 8.665 D43H-N 121.828 8.511 N44H-N 116.193 8.286 N44HD21-ND2 114.286 6.867 N44HD22-ND2 114.286 7.806 G45H-N 108.325 8.01 Q46H-N 120.227 8.056 Q46HE21-NE2 112.077 6.765 Q46HE22-NE2 112.077 7.438 L47H-N 115.545 8.714 D48H-N 128.549 8.954 L49H-N 125.216 8.964 A50H-N 121.199 8.108 K51H-N 120.307 7.833 K51HZ1-NZ 71.878 7.665 K51HZ2-NZ 71.878 7.665 K51HZ3-NZ 71.878 7.665 A52H-N 123.136 9.07 L53H-N 120.525 8.614 K54H-N 118.646 7.415 K55H-N 120.303 7.968 A56H-N 121.141 8.459 Q57H-N 115.455 8.324 Q57HE21-NE2 110.181 6.638 Q57HE22-NE2 110.181 7.143 A58H-N 118.966 7.305 Q59H-N 119.797 7.47 Q59HE21-NE2 113.611 7.023 Q59HE22-NE2 113.611 7.743 D61H-N 114.032 8.579 L62H-N 119.064 7.494 A63H-N 123.325 8.317 I64H-N 123.63 8.935 I65H-N 123.488 8.739 A66H-N 122.21 7.653 T67H-N 124.268 8.351 N68H-N 125.73 7.953 N68HD21-ND2 110.272 6.643 N68HD22-ND2 110.272 7.149 N69H-N 117.824 7.794 N69HD21-ND2 112.969 6.846 N69HD22-ND2 112.969 7.833 M70H-N 122.784 8.859 T71H-N 120.043 8.601 L72H-N 127.863 9.352 K73H-N 125.476 8.518 K74H-N 124.268 8.363 S75H-N 115.492 7.89 F76H-N 114.848 7.298 S77H-N 112.94 8.187 T78H-N 107.509 7.367 L79H-N 123.239 8.698 S80H-N 111.862 7.91 A81H-N 121.743 8.963 L82H-N 125.158 9.094 T83H-N 120.865 8.413 T84H-N 117.148 7.643 T85H-N 119.316 7.636 L86H-N 118.332 7.665 S87H-N 112.919 8.335 E88H-N 114.548 8.342 Q89H-N 120.634 8.051 Q89HE21-NE2 112.196 7.335 Q89HE22-NE2 112.196 6.622 L90H-N 120.656 8.183 K91H-N 121.389 8.301 I92H-N 118.304 7.352 E93H-N 110.376 5.915 G94H-N 110.446 8.528 V95H-N 113.666 8.079 L96H-N 121.818 8.522 G97H-N 109.906 8.332 I98H-N 115.387 8.106 S99H-N 115.354 8.101 Q100H-N 117.326 8.347 D101H-N 110.865 8.178 T102H-N 120.656 7.77 Y103H-N 120.555 8.046 I104H-N 122.702 8.875 Q105H-N 124.233 7.928 Q105HE21-NE2 109.476 6.71 Q105HE22-NE2 109.476 6.923 N106H-N 117.989 7.672 N106HD21-ND2 110.626 7.378 N106HD22-ND2 110.626 6.987 I107H-N 113.665 8.069 L108H-N 122.825 8.551 S109H-N 129.904 8.363 H110H-N 121.851 8.345 A111H-N 123.27 8.474 F112H-N 121.679 8.197 C113H-N 120.597 8.362 D114H-N 119.326 8.056 L115H-N 116.185 8.159 T117H-N 110.523 8.648 D120H-N 115.506 7.839 K121H-N 129.44 8.999 W123H-N 123.828 8.458 W123HE1-NE1 132.812 10.6 H125H-N 117.297 8.598 I126H-N 120.85 9.339 N127H-N 124.975 8.564 N127HD21-ND2 113.33 6.868 N127HD22-ND2 113.33 7.83 A128H-N 125.752 8.348 Q129H-N 121.367 8.632 Q129HE21-NE2 112.062 6.777 Q129HE22-NE2 112.062 7.478 D131H-N 118.874 8.176 A132H-N 122.171 8.15 G133H-N 106.78 8.243 H134H-N 117.527 8.054 S135H-N 116.029 8.523 V136H-N 122.838 8.487 T137H-N 119.927 8.644 S138H-N 114.617 9.298 Y139H-N 127.677 9.65 S140H-N 116.201 8.291 Y141H-N 128.182 9.767 S142H-N 119.214 8.321 L143H-N 120.299 8.511 F144H-N 112.517 8.313 I145H-N 105.765 7.602 V146H-N 119.305 9.58 S147H-N 120.007 7.968 Q148H-N 116.765 8.535 G149H-N 115.599 8.608 E150H-N 124.732 9.024 E151H-N 115.633 8.902 T152H-N 106.824 7.669 G153H-N 110.862 7.539 A154H-N 130.486 8.915 M155H-N 116.154 7.793 M156H-N 119.574 8.991 A157H-N 127.35 8.609 A158H-N 121.831 9.146 G159H-N 116.463 7.337 L161H-N 113.66 6.743 I162H-N 119.348 7.631 I163H-N 131.372 9.319 T164H-N 124.446 9.732 V165H-N 121.295 8.629 T166H-N 121.98 9.533 N168H-N 118.434 7.939 N168HD21-ND2 113.448 7.695 N168HD22-ND2 113.448 6.976 T169H-N 111.639 7.781 A170H-N 124.543 8.194 I171H-N 120.451 8.266 S172H-N 117.42 8.027 D173H-N 121.622 8.842 I174H-N 116.648 8.319 F175H-N 119.189 8.502 N176H-N 121.281 7.144 N176HD21-ND2 112.115 7.351 N176HD22-ND2 112.115 6.648 T177H-N 121.163 8.365 K178H-N 123.684 8.835 K178HZ1-NZ 71.562 8.32 K178HZ2-NZ 71.562 8.32 K178HZ3-NZ 71.562 8.32 D179H-N 123.297 8.516 W180H-N 106.653 8.328 W180HE1-NE1 132.91 10.572 R181H-N 110.386 8.524 R181HE-NE 111.898 7.593 L182H-N 118.093 7.671 T183H-N 106.754 8.113 L184H-N 123.057 9.398 Q185H-N 117.632 8.167 Q185HE21-NE2 113.584 6.994 Q185HE22-NE2 113.584 7.706 E187H-N 118.78 7.519 E188H-N 111.844 7.408 I189H-N 118.535 7.324 T190H-N 104.686 6.776 I191H-N 128.396 9.473 G192H-N 115.274 9.523 V193H-N 122.189 8.716 K194H-N 124.417 8.227 G195H-N 106.816 8.113 F196H-N 113.526 7.657 Q197H-N 122.439 8.346 Q197HE22-NE2 111.981 7.396 V198H-N 118.821 8.009 V199H-N 109.916 8.739 T200H-N 116.695 8.426 L202H-N 123.134 8.149 G203H-N 117.092 8.612