Assignment w1 w2 N3H-N 121.07 8.705 N4H-N 119.46 8.46 H5H-N 119.818 8.121 E6H-N 121.55 8.447 I7H-N 119.65 8.107 D8H-N 120.52 8.349 T9H-N 115.65 8.048 I10H-N 123.78 7.892 L11H-N 118.84 8.29 S12H-N 114.85 8.306 T13H-N 117.83 7.823 L14H-N 120.61 7.575 R15H-N 119.91 8.007 M16H-N 113.73 7.177 E17H-N 117.3 7.167 A18H-N 123.01 7.522 D19H-N 123.8 8.699 S21H-N 115.57 8.672 L22H-N 119.01 8.39 H23H-N 121.49 7.928 L25H-N 114.9 7.21 F26H-N 115.33 7.246 E27H-N 119.33 7.26 Q28H-N 119.52 7.085 F29H-N 117.44 8.504 E30H-N 115.65 7.279 K31H-N 118.98 7.561 F32H-N 115.77 8.875 Y33H-N 118.68 8.075 E34H-N 121.55 8.131 E35H-N 114.81 7.757 K36H-N 116.78 7.201 L37H-N 120.99 7.89 W38H-N 121.07 6.681 W38HE1-NE1 129.472 10.345 F39H-N 120.51 8.994 Q40H-N 122.83 8.468 Q40HE21-NE2 112.269 7.485 Q40HE22-NE2 112.269 6.886 L41H-N 119.81 8.542 S42H-N 115.58 8.522 E43H-N 124.55 7.817 S44H-N 118.53 8.289 L45H-N 122.7 8.916 T46H-N 119.72 8.911 K47H-N 119.41 7.568 F48H-N 118.82 8.07 F49H-N 119.01 9.293 D50H-N 115.74 7.733 D51H-N 122.63 7.159 A52H-N 132.79 9.19 K53H-N 116.08 9.518 S54H-N 113.56 8.45 T55H-N 117.35 7.34 L57H-N 116.96 8.393 R58H-N 117.86 7.307 L59H-N 119.74 8.905 R60H-N 117.28 8.27 L61H-N 121.94 8.386 Y62H-N 123.86 9.445 D63H-N 118.3 9.294 N64H-N 112.6 8.186 F65H-N 117.85 7.85 V66H-N 118.1 7.806 S67H-N 110.69 7.338 K68H-N 118.67 7.136 F69H-N 113.84 7.275 Y70H-N 120.61 7.074 D71H-N 115.63 8.228 K72H-N 117.94 7.74 I73H-N 113.26 6.776 N74H-N 122.37 8.601 N74HD21-ND2 114.85 7.91 N74HD22-ND2 114.85 7.21 Q75H-N 125.137 9.021 L76H-N 117.37 8.114 S77H-N 117.55 7.609 V78H-N 118.59 7.356 V79H-N 115.89 7.52 K80H-N 119.66 7.646 Y81H-N 120.1 8.13 L82H-N 122.61 7.904 L83H-N 119.42 8.864 A84H-N 120.244 8.209 S85H-N 116.26 7.812 L86H-N 118.52 7.548 K87H-N 122.02 7.13 D88H-N 117.51 8.309 S89H-N 114.26 7.546 K90H-N 125.42 8.656 D91H-N 120.49 7.859 F92H-N 123.43 7.742 D93H-N 118.578 8.265 E94H-N 124.28 7.859 S95H-N 116.19 8.118 L96H-N 119.63 8.267 K97H-N 120.131 7.543 Y98H-N 117.727 8.057 L99H-N 121.06 8.268 D100H-N 119.56 8.685 D101H-N 120.32 8.437 L102H-N 121.6 7.673 K103H-N 120.03 8.128 A104H-N 120.42 8.148 Q105H-N 119.63 8.025 F106H-N 120.39 8.579 Q107H-N 119.28 8.727 E108H-N 121.573 8.451 L109H-N 120.541 8.039 D110H-N 119.45 7.962 S111H-N 116.36 8.045 K112H-N 120.956 7.685 K113H-N 120.09 7.811 Q114H-N 120.35 8.264 R115H-N 121.63 8.381 N117H-N 122.456 8.533 G118H-N 109.83 8.421 S119H-N 116.048 8.327 K120H-N 123.27 8.35 G123H-N 109.62 8.552 D124H-N 121.634 8.507 G125H-N 107.187 8.235 I126H-N 121.826 8.574 L127H-N 119.165 7.738 L128H-N 117.768 7.601 I129H-N 120.296 8.259 D130H-N 121.274 9.108 S131H-N 120.36 7.918 E132H-N 121.066 7.685 I133H-N 127.53 9.537 A134H-N 122.054 8.039 R135H-N 117.69 8.058 T136H-N 117.26 8.067 Y137H-N 122.62 8.429 L138H-N 120.057 7.816 L139H-N 117.895 7.834 K140H-N 116.964 7.327 N141H-N 116.53 8.144 N141HD21-ND2 110.96 6.688 N141HD22-ND2 110.96 7.431 D142H-N 120.854 8.423 L143H-N 121.5 7.777 V144H-N 120.08 7.929 K145H-N 120.05 7.402 A146H-N 117.65 7.704 R147H-N 117.41 7.941 L149H-N 119.99 7.883 L150H-N 122.23 8.713 D151H-N 121.792 8.705 D152H-N 121.283 7.593 L153H-N 123.02 8.187 E154H-N 120.584 8.662 K155H-N 116.73 7.442 T156H-N 117.71 7.802 L157H-N 121.782 8.388 D158H-N 117.783 7.756 K159H-N 115.952 7.285 K160H-N 120.79 7.491 D161H-N 121.614 8.363 S162H-N 113.32 7.977 I163H-N 124.363 8.189 L165H-N 127.664 8.604 R166H-N 115.718 8.592 I167H-N 118.17 7.645 T168H-N 116.529 7.387 N169H-N 118.9 9.13 S170H-N 113.41 7.573 F171H-N 121.64 8.279 Y172H-N 118.64 8.761 S173H-N 116.294 8.587 T174H-N 120.125 8.332 N175H-N 120.36 8.663 S176H-N 113.44 8.305 Q177H-N 122.35 7.621 Q177HE21-NE2 111.025 6.794 Q177HE22-NE2 111.025 6.64 Y178H-N 120.95 7.991 F179H-N 117.643 8.016 K180H-N 121.748 8.575 F181H-N 120.435 8.097 K182H-N 116.212 7.505 N183H-N 116.06 7.729 N183HD21-ND2 112.34 6.701 N183HD22-ND2 112.34 7.47 D184H-N 119.646 8.007 F185H-N 122.92 6.888 N186H-N 114.88 8.312 S187H-N 113.682 7.538 F188H-N 124.415 8.835 Y189H-N 123.136 8.207 Y190H-N 114.18 7.506 T191H-N 117.78 8.895 S192H-N 120.937 7.616 L193H-N 121.28 7.422 L194H-N 122.075 7.045 Y195H-N 122.62 8.344 L196H-N 118.744 8.295 S197H-N 114.0 7.876 T198H-N 109.66 7.429 L199H-N 121.472 6.691 E200H-N 123.9 8.179 S202H-N 110.0 7.822 T203H-N 118.56 7.882 S204H-N 120.26 8.271 I205H-N 123.37 7.972 T206H-N 118.08 8.737 L207H-N 123.28 8.788 A208H-N 119.79 8.51 E209H-N 118.6 7.697 R210H-N 121.59 8.447 Q211H-N 118.04 8.74 Q211HE21-NE2 110.944 7.342 Q211HE22-NE2 110.944 6.82 Q212H-N 117.95 7.768 Q212HE21-NE2 115.564 7.876 Q212HE22-NE2 115.564 6.746 L213H-N 120.29 7.908 A214H-N 122.35 8.427 Y215H-N 120.704 8.301 D216H-N 120.8 9.095 L217H-N 123.33 9.34 S218H-N 116.76 7.748 I219H-N 121.198 8.313 S220H-N 115.65 7.891 A221H-N 124.21 7.983 L222H-N 115.91 7.661 L223H-N 113.64 7.622 G224H-N 108.29 8.24 D225H-N 129.15 9.161 K226H-N 117.85 8.896 I227H-N 121.93 6.843 Y228H-N 123.29 8.395 N229H-N 117.24 7.122 N229HD21-ND2 113.326 7.679 N229HD22-ND2 113.326 6.929 F230H-N 123.24 8.477 G231H-N 109.18 8.695 E232H-N 121.21 8.005 L233H-N 120.05 7.544 L234H-N 114.67 8.288 H235H-N 113.14 7.518 H236H-N 126.65 8.115 I238H-N 125.15 11.83 M239H-N 120.33 8.143 E240H-N 119.38 7.872 T241H-N 107.13 7.532 I242H-N 113.12 7.225 V243H-N 122.47 7.369 N244H-N 117.112 8.311 N244HD21-ND2 114.373 6.893 N244HD22-ND2 114.373 7.554 D245H-N 121.23 7.433 S246H-N 124.43 9.008 N247H-N 120.36 9.009 N247HD21-ND2 116.358 6.944 N247HD22-ND2 116.358 7.999 Y248H-N 115.04 8.251 D249H-N 123.13 7.796 W250H-N 117.62 8.176 W250HE1-NE1 130.346 10.148 L251H-N 125.42 6.28 F252H-N 117.9 7.034 Q253H-N 118.35 8.365 Q253HE21-NE2 112.691 7.762 Q253HE22-NE2 112.691 6.783 L254H-N 121.77 8.519 L255H-N 118.18 8.142 N256H-N 118.27 8.443 N256HD21-ND2 112.249 6.713 N256HD22-ND2 112.249 7.37 A257H-N 121.82 8.19 L258H-N 116.84 7.891 T259H-N 113.066 7.612 V260H-N 110.8 7.541 G261H-N 112.48 7.511 D262H-N 119.67 8.262 F263H-N 124.3 7.92 D264H-N 119.91 8.526 K265H-N 122.35 7.92 F266H-N 118.85 8.256 D267H-N 118.1 8.606 S268H-N 113.072 7.75 L269H-N 121.8 8.047 I270H-N 120.01 8.514 K271H-N 118.97 7.559 V272H-N 115.57 7.244 Q273H-N 117.31 7.904 Q273HE21-NE2 108.05 6.409 Q273HE22-NE2 108.05 5.822 I274H-N 118.58 8.344 S275H-N 112.09 7.206 K276H-N 119.28 7.311 I277H-N 120.59 7.646 I279H-N 115.86 8.589 L280H-N 119.91 7.386 A281H-N 121.4 7.698 Q282H-N 115.87 8.4 Q282HE21-NE2 110.722 7.307 Q282HE22-NE2 110.722 6.741 H283H-N 115.71 7.379 E284H-N 123.46 7.264 S285H-N 113.55 8.91 F286H-N 123.173 7.906 L287H-N 121.903 8.397 R288H-N 117.41 8.395 Q289H-N 118.93 7.936 Q289HE21-NE2 111.687 7.805 Q289HE22-NE2 111.687 7.216 K290H-N 120.39 8.133 I291H-N 117.02 7.8 C292H-N 123.88 7.708 L293H-N 120.37 8.417 M294H-N 117.18 8.711 T295H-N 115.76 8.191 L296H-N 125.71 8.093 I297H-N 115.81 8.091 E298H-N 121.037 8.245 T299H-N 114.98 7.972 V300H-N 118.2 7.826 F301H-N 118.6 8.321 V302H-N 118.98 8.793 K303H-N 116.3 7.716 N304H-N 117.37 7.516 N304HD21-ND2 112.242 7.468 N304HD22-ND2 112.242 6.694 I305H-N 117.26 7.675 R306H-N 122.37 8.545 M307H-N 120.0 7.452 L308H-N 125.16 8.942 S309H-N 119.3 9.488 F310H-N 120.84 8.7 E311H-N 121.44 8.94 D312H-N 121.17 8.356 I313H-N 120.57 8.046 S314H-N 120.34 8.813 K315H-N 119.62 8.26 A316H-N 118.7 7.546 T317H-N 102.3 7.781 H318H-N 114.03 7.622 L319H-N 120.65 7.533 K321H-N 124.19 8.913 D322H-N 114.83 8.478 N323H-N 116.68 8.16 N323HD21-ND2 110.01 7.176 N323HD22-ND2 110.01 6.928 V324H-N 120.73 7.472 E325H-N 122.43 9.085 H326H-N 116.91 8.103 L327H-N 121.14 7.412 V328H-N 118.25 8.156 M329H-N 117.83 8.55 R330H-N 122.3 8.146 A331H-N 121.86 8.107 I332H-N 118.95 8.281 S333H-N 120.48 8.736 L334H-N 119.83 8.132 G335H-N 107.11 7.987 L336H-N 117.05 8.069 L337H-N 113.06 7.175 K338H-N 121.28 9.026 G339H-N 110.15 8.222 S340H-N 113.47 8.829 I341H-N 123.41 8.802 D342H-N 128.45 8.949 Q343H-N 123.73 8.955 Q343HE21-NE2 113.646 6.795 Q343HE22-NE2 113.646 8.396 V344H-N 119.54 7.957 N345H-N 114.72 7.504 N345HD21-ND2 118.526 6.905 N345HD22-ND2 118.526 8.915 E346H-N 117.32 7.259 L347H-N 117.74 7.693 V348H-N 125.55 9.428 T349H-N 123.12 8.79 I350H-N 126.94 8.928 S351H-N 123.0 9.192 W352H-N 124.2 7.914 W352HE1-NE1 130.729 10.225 V353H-N 123.66 6.746 Q354H-N 126.35 7.065 Q354HE21-NE2 111.589 7.591 Q354HE22-NE2 111.589 6.849 R356H-N 118.86 7.03 I357H-N 121.3 7.88 I358H-N 124.022 8.031 S359H-N 119.83 8.302 G360H-N 110.956 8.556 D361H-N 120.5 8.222 Q362H-N 120.28 8.265 Q362HE21-NE2 110.84 7.31 Q362HE22-NE2 110.84 6.798 I363H-N 123.14 8.199 E372H-N 120.22 7.85 W373H-N 121.592 8.275 W373HE1-NE1 129.74 10.078 N374H-N 118.9 8.446 D375H-N 124.65 7.981 Q376H-N 120.33 8.312 V377H-N 120.51 8.089 E378H-N 120.52 7.946 K379H-N 121.62 8.36 L380H-N 121.563 8.142 G381H-N 108.71 8.264 K382H-N 120.78 8.012 K383H-N 121.34 8.142 M384H-N 121.55 8.395 E385H-N 122.36 8.41 A386H-N 125.16 8.312 R387H-N 120.34 8.314 G388H-N 109.82 8.422 Q389H-N 119.975 8.228 S390H-N 117.1 8.358 I391H-N 121.592 8.102 W392H-N 121.652 8.164 W392HE1-NE1 129.732 10.141 V393H-N 120.172 7.92