Assignment w1 w2 I2H-N 126.382 8.92 V3H-N 122.729 8.816 Y4H-N 123.842 8.123 K5H-N 123.922 9.168 D6H-N 128.922 9.241 V7H-N 121.288 8.088 I8H-N 121.72 9.145 S9H-N 114.322 9.579 G10H-N 111.09 8.192 D11H-N 119.806 8.188 E12H-N 122.183 9.123 V13H-N 117.464 8.377 V14H-N 116.721 7.068 S15H-N 117.265 6.827 D16H-N 117.012 8.956 A17H-N 120.419 8.038 L18H-N 119.584 7.417 K19H-N 118.998 7.994 I20H-N 130.1 7.959 T21H-N 121.219 9.292 V23H-N 123.403 8.413 M24H-N 124.896 8.557 E25H-N 123.602 9.046 E28H-N 119.223 7.578 E29H-N 122.774 8.635 V30H-N 127.851 8.825 G32H-N 103.861 8.432 L33H-N 116.27 6.962 F34H-N 119.039 8.931 E35H-N 117.912 9.919 V36H-N 115.786 9.266 D37H-N 127.273 8.865 S38H-N 121.827 7.928 A39H-N 120.035 8.541 M40H-N 117.37 8.276 V41H-N 119.116 9.252 A42H-N 125.348 8.431 V43H-N 120.166 8.224 G44H-N 111.924 8.382 G46H-N 108.596 8.277 D47H-N 120.428 8.28 I48H-N 119.777 7.95 D49H-N 124.164 8.332 I50H-N 120.679 8.039 G51H-N 111.586 8.445 F56H-N 118.62 8.135 G60H-N 108.202 8.398 D62H-N 120.121 8.279 E63H-N 121.2 8.338 G64H-N 109.658 8.414 A65H-N 123.479 8.008 D66H-N 119.672 8.309 D67H-N 120.393 8.17 A68H-N 123.934 8.216 T69H-N 112.944 7.975 Q70H-N 123.302 8.36 Q70HE21-NE2 112.27 6.789 Q70HE22-NE2 112.27 7.479 K71H-N 121.358 8.174 E72H-N 118.192 8.913 N73H-N 121.574 8.864 N73HD21-ND2 112.324 7.744 N73HD22-ND2 112.324 7.64 N74H-N 128.791 9.502 N74HD21-ND2 109.16 7.316 N74HD22-ND2 109.16 7.126 V75H-N 121.966 9.052 S76H-N 108.91 7.703 G77H-N 108.457 7.614 S79H-N 114.246 9.585 S80H-N 119.918 7.684 F81H-N 120.935 7.761 A82H-N 120.195 7.536 Y83H-N 118.202 7.547 T84H-N 116.978 8.766 A85H-N 131.52 9.033 M86H-N 121.595 8.379 F88H-N 118.551 7.712 S90H-N 111.911 7.449 E93H-N 122.973 7.777 F94H-N 121.151 7.397 K95H-N 118.935 8.562 S96H-N 112.971 7.638 W97H-N 123.376 8.03 W97HE1-NE1 129.497 10.476 V98H-N 119.629 8.858 K99H-N 121.249 7.188 D100H-N 120.476 7.124 Y101H-N 122.922 8.306 V102H-N 117.478 8.105 R103H-N 118.152 6.945 N104H-N 120.752 8.626 N104HD21-ND2 113.06 8.246 N104HD22-ND2 113.06 6.876 V105H-N 124.427 9.124 R106H-N 119.787 8.136 Q107H-N 115.812 7.901 Q107HE21-NE2 111.658 6.898 Q107HE22-NE2 111.658 7.439 A108H-N 124.428 8.137 L109H-N 119.915 8.873 K110H-N 120.568 8.153 G111H-N 106.492 8.405 S112H-N 113.292 7.649 V114H-N 120.692 7.419 A115H-N 127.946 8.51 V116H-N 121.849 8.567 E117H-N 119.288 9.307 D118H-N 120.301 7.457 I119H-N 123.826 7.79 K120H-N 120.186 8.464 K121H-N 118.999 7.644 F122H-N 119.437 7.517 M123H-N 114.97 8.084 E124H-N 118.983 8.143 E125H-N 119.765 8.103 A126H-N 121.629 7.869 T128H-N 112.71 7.339 F129H-N 120.912 7.911 V130H-N 125.412 8.656 K131H-N 118.262 7.115 W132H-N 118.202 7.547 W132HE1-NE1 129.678 10.424 L133H-N 116.982 8.185 V134H-N 116.727 8.793 D135H-N 120.106 8.664 K136H-N 120.692 7.418 Y137H-N 119.623 7.414 D138H-N 116.171 8.445 D139H-N 117.47 8.407 L140H-N 119.504 7.142 E141H-N 118.983 8.391 F142H-N 118.177 7.978 F143H-N 119.505 9.175 M144H-N 117.61 9.119 S145H-N 113.38 7.955 K146H-N 119.666 8.666 S147H-N 113.844 9.488 M148H-N 117.506 8.474 N149H-N 119.014 8.908 N149HD21-ND2 109.59 7.519 N149HD22-ND2 109.59 7.135 D151H-N 117.136 8.189 A152H-N 122.146 7.164 G153H-N 103.549 8.455 L154H-N 126.604 7.49 I155H-N 119.643 8.758 F156H-N 126.103 7.965 S157H-N 115.397 8.757 Y158H-N 120.549 8.662 Y159H-N 118.092 8.972 K160H-N 126.198 8.737 E161H-N 122.527 8.667 A163H-N 122.993 7.955 C165H-N 117.684 7.851 T167H-N 123.068 8.891 F168H-N 125.976 8.868 V169H-N 122.47 9.292 Y170H-N 122.402 8.583 V171H-N 122.63 9.007 K172H-N 130.6 8.145 S173H-N 114.015 9.996 G174H-N 105.131 8.394 Y175H-N 116.796 7.308 K176H-N 124.932 9.669 V177H-N 123.266 8.258 V178H-N 127.282 8.784 K179H-N 125.312 8.314 F180H-N 125.483 8.753 H188H-N 125.789 7.81