Assignment w1 w2 S2H-N 115.698 8.686 V3H-N 122.291 8.42 V4H-N 125.171 8.355 G5H-N 113.649 8.625 G6H-N 108.765 8.342 L7H-N 121.826 8.257 G8H-N 110.113 8.572 G9H-N 109.683 8.457 Y10H-N 117.491 7.715 M11H-N 120.64 9.036 L12H-N 121.274 8.128 G13H-N 115.327 9.396 S14H-N 113.618 8.355 A15H-N 125.446 8.774 M16H-N 121.551 8.844 S17H-N 116.11 8.469 R18H-N 126.555 8.708 R18HE-NE 85.699 6.861 M20H-N 122.117 8.774 I21H-N 124.73 6.567 H22H-N 121.909 8.238 F23H-N 124.702 10.453 G24H-N 109.08 9.048 N25H-N 114.319 7.226 N25HD21-ND2 116.153 7.593 N25HD22-ND2 116.153 7.503 D26H-N 123.341 9.053 W27H-N 120.599 8.556 W27HE1-NE1 129.592 10.248 E28H-N 120.41 8.217 D29H-N 119.086 7.964 R30H-N 120.034 8.048 R30HE-NE 85.223 7.463 Y31H-N 120.932 8.274 Y32H-N 120.393 9.007 R33H-N 117.29 7.903 R33HE-NE 84.819 7.491 E34H-N 115.453 7.88 N35H-N 115.304 7.564 N35HD21-ND2 116.779 6.761 N35HD22-ND2 116.779 6.533 M36H-N 118.308 7.85 Y37H-N 116.256 7.604 R38H-N 118.595 7.526 R38HE-NE 84.627 7.321 Y39H-N 120.6 7.349 N41H-N 115.601 8.456 N41HD21-ND2 109.046 7.519 N41HD22-ND2 109.046 6.823 Q42H-N 113.685 7.252 Q42HE21-NE2 112.872 7.959 Q42HE22-NE2 112.872 7.045 V43H-N 112.912 8.558 Y44H-N 121.465 8.473 Y45H-N 110.787 8.6 R46H-N 121.269 8.07 R46HE-NE 85.094 7.004 V48H-N 120.698 8.465 D49H-N 123.91 8.53 Q50H-N 118.297 8.529 Q50HE21-NE2 112.368 7.645 Q50HE22-NE2 112.368 6.939 G51H-N 108.097 8.666 S52H-N 117.464 7.792 N53H-N 119.092 8.607 N53HD21-ND2 114.537 7.726 N53HD22-ND2 114.537 6.755 Q54H-N 121.618 8.752 Q54HE21-NE2 112.304 7.498 Q54HE22-NE2 112.304 6.957 N55H-N 116.013 8.393 N55HD21-ND2 113.034 7.638 N55HD22-ND2 113.034 7.001 N56H-N 118.955 8.65 N56HD21-ND2 112.084 7.782 N56HD22-ND2 112.084 7.039 F57H-N 122.281 8.443 V58H-N 120.405 9.189 H59H-N 117.199 8.251 D60H-N 118.684 7.836 C61H-N 119.407 8.292 V62H-N 124.954 9.289 N63H-N 116.022 7.651 N63HD21-ND2 112.222 7.674 N63HD22-ND2 112.222 6.829 I64H-N 118.329 8.573 T65H-N 118.699 8.167 I66H-N 120.882 8.525 K67H-N 122.748 8.015 Q68H-N 116.233 8.366 Q68HE21-NE2 110.136 6.781 Q68HE22-NE2 110.136 6.741 H69H-N 117.919 8.11 T70H-N 114.122 8.223 V71H-N 122.059 8.001 T72H-N 115.376 8.109 T73H-N 115.011 8.039 T74H-N 116.57 8.21 T75H-N 116.277 8.004 K76H-N 121.275 7.924 G77H-N 109.131 8.164 E78H-N 120.047 7.806 N79H-N 119.935 8.53 N79HD21-ND2 113.18 7.59 N79HD22-ND2 113.18 6.873 F80H-N 122.205 8.666 T81H-N 116.369 9.508 E82H-N 119.904 9.159 T83H-N 116.467 7.983 D84H-N 120.223 7.516 V85H-N 119.732 8.254 K86H-N 119.287 7.708 M87H-N 118.719 8.237 M88H-N 118.366 8.747 E89H-N 118.329 8.388 R90H-N 117.014 7.339 R90HE-NE 83.251 7.313 V91H-N 119.379 8.24 V92H-N 120.758 8.958 E93H-N 120.307 8.226 Q94H-N 115.551 7.26 Q94HE21-NE2 111.856 7.45 Q94HE22-NE2 111.856 6.827 M95H-N 119.365 8.313 C96H-N 118.981 9.236 V97H-N 123.536 8.356 T98H-N 118.412 8.102 Q99H-N 122.484 8.875 Q99HE21-NE2 115.048 7.251 Q99HE22-NE2 115.048 6.961 Y100H-N 120.281 8.62 Q101H-N 119.551 8.143 Q101HE21-NE2 111.036 7.431 Q101HE22-NE2 111.036 6.847 K102H-N 118.667 7.666 E103H-N 118.552 8.418 S104H-N 115.407 8.554 Q105H-N 120.765 7.563 Q105HE21-NE2 113.161 7.683 Q105HE22-NE2 113.161 6.837 A106H-N 120.241 7.572 Y107H-N 119.547 7.933 Y108H-N 119.174 8.094 D109H-N 120.337 8.321 G110H-N 107.709 7.848 R111H-N 119.807 7.777 R111HE-NE 84.518 7.206 R112H-N 121.709 8.177 R112HE-NE 84.658 7.225 S113H-N 117.38 8.418 S114H-N 122.802 8.033