Assignment w1 w2 V9H-N 119.556 8.041 R10H-N 124.768 8.43 N11H-N 120.36 8.457 N11HD21-ND2 112.639 7.596 N11HD22-ND2 112.639 6.912 L12H-N 123.172 8.289 A13H-N 124.276 8.251 Q14H-N 119.138 8.213 Q14HE21-NE2 112.528 6.859 Q14HE22-NE2 112.528 7.549 G15H-N 110.283 8.217 R17H-N 120.75 8.468 G18H-N 109.039 8.186 C19H-N 120.202 8.686 E20H-N 116.666 8.768 H21H-N 122.363 9.308 Y22H-N 114.825 7.884 D23H-N 121.961 8.45 R24H-N 116.815 7.543 R24HE-NE 90.031 7.153 A25H-N 121.56 8.925 C26H-N 109.218 6.868 L27H-N 115.799 8.273 L28H-N 118.999 8.811 K29H-N 121.975 7.952 A30H-N 134.335 9.273 C32H-N 120.108 8.764 C33H-N 114.996 7.417 D34H-N 121.26 8.381 K35H-N 117.678 7.236 L36H-N 120.58 8.099 Y37H-N 121.137 8.8 T38H-N 116.835 9.451 C39H-N 109.04 7.298 R40H-N 121.898 9.232 L41H-N 126.347 9.168 C42H-N 126.65 8.925 H43H-N 117.433 7.607 D44H-N 119.029 8.737 T45H-N 111.798 7.637 N46H-N 118.183 7.1 N46HD21-ND2 116.781 7.306 N46HD22-ND2 116.781 8.006 E47H-N 116.984 7.179 H49H-N 113.627 6.9 Q50H-N 119.729 8.742 Q50HE21-NE2 112.006 6.819 Q50HE22-NE2 112.006 7.496 L51H-N 128.205 9.685 D52H-N 128.869 9.325 R53H-N 125.882 8.538 R53HE-NE 82.736 6.83 F54H-N 120.233 8.008 K55H-N 117.138 7.688 V56H-N 119.468 6.518 K57H-N 124.975 9.299 E58H-N 122.174 8.854 V59H-N 109.266 8.934 Q60H-N 120.089 9.104 Q60HE21-NE2 109.914 7.122 Q60HE22-NE2 109.914 6.544 C61H-N 128.758 7.648 I62H-N 127.029 8.072 N63H-N 122.395 9.194 N63HD21-ND2 117.172 7.171 N63HD22-ND2 117.172 8.024 C64H-N 120.179 9.065 E65H-N 115.329 7.28 K66H-N 121.843 8.238 L67H-N 136.55 9.0 Q68H-N 124.362 9.437 Q68HE21-NE2 111.939 6.903 Q68HE22-NE2 111.939 8.701 H69H-N 118.467 8.859 A70H-N 120.909 7.831 Q71H-N 116.451 7.289 Q71HE21-NE2 113.051 8.04 Q71HE22-NE2 113.051 7.051 Q72H-N 116.478 8.518 Q72HE21-NE2 110.818 7.698 Q72HE22-NE2 110.818 6.609 T73H-N 108.262 7.143 C74H-N 123.363 7.726 E75H-N 130.014 9.255 D76H-N 123.395 9.184 C77H-N 120.067 8.734 S78H-N 113.313 7.535 T79H-N 120.185 7.904 L80H-N 128.819 8.519 F81H-N 129.714 9.131 G82H-N 100.491 6.953 E83H-N 127.136 8.472 Y84H-N 119.085 9.432 Y85H-N 125.105 7.414 C86H-N 128.934 7.23 S87H-N 123.079 8.055 I88H-N 124.618 7.974 C89H-N 119.769 8.566 H90H-N 111.319 7.392 L91H-N 115.593 6.25 F92H-N 121.698 6.768 D93H-N 123.694 9.283 K94H-N 120.733 8.984 D95H-N 121.268 9.038 K96H-N 131.414 9.427 R97H-N 115.119 9.02 Q98H-N 117.914 9.301 Q98HE21-NE2 112.783 8.398 Q98HE22-NE2 112.783 7.815 Y99H-N 115.113 8.385 H100H-N 120.717 8.868 C101H-N 131.309 7.436 E102H-N 129.668 9.418 S103H-N 116.937 7.827 C104H-N 126.673 9.352 G105H-N 106.145 8.132 I106H-N 107.705 6.439 C107H-N 122.333 7.017 R108H-N 121.054 8.572 I109H-N 119.051 7.911 G110H-N 113.108 6.94 K112H-N 123.491 9.058 E113H-N 115.085 9.148 D114H-N 120.105 7.816 F115H-N 119.513 8.024 F116H-N 118.394 9.534 H117H-N 121.264 8.844 C118H-N 131.887 8.097 L119H-N 130.634 8.948 L123H-N 114.836 6.572 C124H-N 118.873 6.402 L125H-N 124.25 8.799 T126H-N 112.609 8.163 T127H-N 114.458 8.05 N128H-N 120.562 8.468 N128HD21-ND2 113.957 7.634 N128HD22-ND2 113.957 7.048 L129H-N 118.067 8.164 R130H-N 126.39 7.766 K132H-N 118.939 7.716 H133H-N 116.248 7.689 C135H-N 126.82 8.022 I136H-N 122.568 8.123 E137H-N 124.589 8.4 S138H-N 117.549 8.386 G139H-N 110.85 8.326 S141H-N 116.466 8.514