Assignment w1 w2 A3H-N 128.539 8.398 A4H-N 123.721 8.337 D5H-N 119.224 8.234 I6H-N 121.312 7.994 G7H-N 111.837 8.436 A8H-N 123.239 7.95 G9H-N 107.368 8.346 L10H-N 117.616 7.224 A11H-N 117.757 7.86 D12H-N 118.41 8.017 A13H-N 121.48 8.205 L14H-N 113.41 7.217 T15H-N 106.072 7.624 A16H-N 127.789 8.932 L18H-N 121.01 8.154 D19H-N 124.654 8.758 K21H-N 118.419 8.348 D22H-N 120.045 7.451 K23H-N 121.925 8.416 G24H-N 111.487 8.612 L25H-N 127.196 8.054 Q26H-N 131.782 9.184 Q26HE21-NE2 112.483 7.568 Q26HE22-NE2 112.483 6.571 S27H-N 108.936 7.24 L28H-N 121.826 8.01 T29H-N 123.892 8.81 L30H-N 128.365 8.662 D31H-N 123.194 8.5 Q32H-N 120.692 10.453 Q32HE21-NE2 113.763 7.505 Q32HE22-NE2 113.763 6.725 S33H-N 111.712 8.523 V34H-N 115.971 6.691 R35H-N 125.397 8.184 K36H-N 119.36 8.493 N37H-N 115.488 8.513 N37HD21-ND2 113.149 7.521 N37HD22-ND2 113.149 6.878 E38H-N 118.734 7.793 K39H-N 117.132 8.706 L40H-N 125.335 9.085 K41H-N 129.833 9.263 L42H-N 126.292 8.954 A43H-N 120.789 8.804 A44H-N 120.678 8.117 Q45H-N 116.299 9.035 Q45HE21-NE2 112.018 7.53 Q45HE22-NE2 112.018 6.823 G46H-N 105.419 8.441 A47H-N 124.355 8.152 E48H-N 116.655 8.156 K49H-N 122.922 8.852 T50H-N 120.811 7.91 Y51H-N 127.372 9.432 G52H-N 108.92 9.154 N53H-N 117.281 8.877 G54H-N 114.86 8.949 D55H-N 121.974 7.991 S56H-N 113.088 8.485 L57H-N 126.423 9.004 N58H-N 125.624 8.484 T59H-N 113.77 7.747 G60H-N 114.43 8.869 K61H-N 112.62 6.376 L62H-N 116.704 7.335 K63H-N 119.841 8.506 N64H-N 121.515 8.08 N64HD21-ND2 112.258 7.456 N64HD22-ND2 112.258 6.743 D65H-N 113.37 9.218 K66H-N 113.415 6.443 V67H-N 122.098 8.679 S68H-N 127.048 9.497 R69H-N 122.621 7.848 F70H-N 118.087 9.246 D71H-N 123.565 9.144 F72H-N 119.663 9.094 I73H-N 119.75 8.623 R74H-N 128.407 9.052 Q75H-N 125.481 9.304 Q75HE21-NE2 109.896 6.929 Q75HE22-NE2 109.896 6.546 I76H-N 115.536 8.592 E77H-N 124.858 8.433 V78H-N 126.973 8.879 D79H-N 129.387 9.329 G80H-N 103.293 8.575 Q81H-N 119.688 7.751 L82H-N 123.523 8.418 I83H-N 127.151 9.146 T84H-N 123.099 8.656 L85H-N 125.333 8.967 E86H-N 116.655 7.503 S87H-N 117.941 8.954 G88H-N 108.625 6.932 E89H-N 128.231 9.669 F90H-N 131.583 10.365 Q91H-N 126.465 8.685 Q91HE21-NE2 109.534 6.443 Q91HE22-NE2 109.534 7.096 V92H-N 118.841 8.675 Y93H-N 127.563 8.896 K94H-N 128.378 5.813 Q95H-N 125.809 8.438 S96H-N 117.65 9.057 H97H-N 118.385 10.115 S98H-N 112.298 7.241 A99H-N 116.79 8.418 L100H-N 115.214 8.376 T101H-N 109.441 8.685 A102H-N 120.716 8.459 F103H-N 115.041 8.51 Q104H-N 124.526 9.832 Q104HE21-NE2 116.046 7.417 Q104HE22-NE2 116.046 7.155 T105H-N 126.76 9.566 E106H-N 121.685 9.303 Q107H-N 117.612 7.954 I108H-N 115.049 8.969 Q109H-N 121.959 7.421 Q109HE21-NE2 110.381 7.402 Q109HE22-NE2 110.381 6.407 D110H-N 125.621 8.569 S111H-N 120.732 8.445 E112H-N 119.367 8.246 H113H-N 117.287 7.418 S114H-N 116.771 8.398 G115H-N 112.197 8.733 K116H-N 120.212 7.796 M117H-N 119.755 8.348 V118H-N 118.546 9.242 A119H-N 125.947 8.327 K120H-N 126.149 7.604 R121H-N 122.76 8.308 Q122H-N 121.022 7.529 Q122HE21-NE2 110.547 7.26 Q122HE22-NE2 110.547 6.808 F123H-N 125.54 8.62 R124H-N 125.264 8.018 I125H-N 121.887 8.462 G126H-N 115.675 8.814 D127H-N 123.737 7.914 I128H-N 119.105 8.258 A129H-N 129.336 8.607 G130H-N 101.232 7.514 E131H-N 121.002 8.225 H132H-N 124.204 8.054 T133H-N 125.345 9.056 S134H-N 121.791 8.834 F135H-N 128.822 9.597 D136H-N 113.108 8.017 K137H-N 117.716 7.34 L138H-N 120.536 6.698 E140H-N 119.063 8.343 G141H-N 104.27 7.241 G142H-N 106.996 8.241 R143H-N 117.762 8.214 A144H-N 126.63 9.03 T145H-N 117.942 8.56 Y146H-N 126.097 10.008 R147H-N 121.042 8.86 G148H-N 114.154 8.916 T149H-N 126.41 9.063 A150H-N 127.54 7.091 F151H-N 117.013 8.536 G152H-N 108.356 8.548 S153H-N 115.173 7.61 D154H-N 124.828 9.894 D155H-N 116.749 7.52 A156H-N 128.246 8.544 G157H-N 106.545 8.406 G158H-N 106.404 7.128 K159H-N 123.93 9.647 L160H-N 126.271 7.706 T161H-N 122.977 8.374 Y162H-N 128.112 9.174 T163H-N 124.549 8.711 I164H-N 123.685 8.927 D165H-N 125.168 8.372 F166H-N 123.597 8.968 A167H-N 122.113 8.266 A168H-N 118.76 7.405 K169H-N 114.394 7.906 Q170H-N 116.433 7.629 Q170HE21-NE2 111.912 7.59 Q170HE22-NE2 111.912 6.596 G171H-N 110.189 8.854 N172H-N 112.667 7.637 N172HD21-ND2 114.078 7.301 N172HD22-ND2 114.078 6.542 G173H-N 106.686 9.103 K174H-N 121.816 9.179 I175H-N 123.4 8.351 E176H-N 122.287 8.492 H177H-N 109.605 8.431 L178H-N 124.374 9.603 K179H-N 122.88 10.002 S180H-N 115.187 7.262 E182H-N 113.034 8.076 L183H-N 112.896 7.126 N184H-N 117.865 6.952 N184HD21-ND2 112.366 7.08 N184HD22-ND2 112.366 7.08 V185H-N 113.276 7.178 D186H-N 118.111 8.827 L187H-N 123.13 8.375 A188H-N 126.289 8.225 A189H-N 122.01 8.275 A190H-N 126.018 8.823 D191H-N 118.646 8.365 I192H-N 119.664 7.915 K193H-N 127.122 9.175 D195H-N 123.239 8.39 K197H-N 120.305 7.74 R198H-N 111.796 8.059 H199H-N 120.255 8.531 A200H-N 123.237 8.492 V201H-N 123.25 9.174 I202H-N 122.699 8.887 S203H-N 122.067 8.416 G204H-N 110.488 7.292 S205H-N 116.497 8.652 V206H-N 117.101 7.4 L207H-N 124.185 8.961 Y208H-N 120.202 8.836 N209H-N 129.805 9.292 N209HD21-ND2 111.59 7.011 N209HD22-ND2 111.59 6.476 Q210H-N 106.396 8.614 Q210HE21-NE2 112.488 6.681 Q210HE22-NE2 112.488 7.391 A211H-N 123.338 7.657 E212H-N 122.631 8.712 K213H-N 126.87 8.835 G214H-N 107.019 7.929 S215H-N 117.334 8.678 Y216H-N 117.645 8.958 S217H-N 115.593 8.837 L218H-N 123.523 9.299 G219H-N 108.999 9.041 I220H-N 120.223 6.853 F221H-N 128.229 9.392 G222H-N 104.634 8.675 K224H-N 118.72 8.366 A225H-N 118.077 7.633 Q226H-N 117.991 9.387 E227H-N 116.638 8.825 V228H-N 109.304 8.343 A229H-N 120.653 8.475 G230H-N 111.104 9.361 S231H-N 115.308 8.889 A232H-N 119.911 9.083 E233H-N 122.744 9.015 V234H-N 124.203 8.792 K235H-N 127.554 8.841 T236H-N 114.463 7.212 V237H-N 120.67 9.582 N238H-N 115.638 7.572 N238HD21-ND2 113.609 6.86 N238HD22-ND2 113.609 7.583 G239H-N 107.65 7.362 I240H-N 122.673 8.672 R241H-N 128.497 9.233 H242H-N 121.131 8.519 I243H-N 119.438 8.723 G244H-N 113.7 9.351 L245H-N 120.798 7.833 A246H-N 122.885 7.906 A247H-N 122.967 9.041 K248H-N 115.734 8.171 Q249H-N 122.746 8.857 H250H-N 124.229 8.622