Assignment w1 w2 A3H-N 125.338 8.215 F4H-N 119.08 7.933 F5H-N 121.401 7.897 A6H-N 125.155 7.988 T7H-N 113.016 7.908 R8H-N 123.58 8.248 I10H-N 125.622 8.225 S11H-N 120.468 8.214 A12H-N 127.099 8.12 K14H-N 123.095 8.549 V15H-N 125.125 8.564 T16H-N 118.169 9.084 K17H-N 121.056 7.501 K18H-N 121.923 9.051 V19H-N 113.563 8.763 F20H-N 116.301 8.861 F21H-N 115.298 9.248 K22H-N 123.339 9.127 I23H-N 125.143 8.898 S24H-N 121.976 9.167 I25H-N 123.757 8.909 N26H-N 128.233 9.797 G27H-N 102.525 8.767 E28H-N 120.681 7.726 D29H-N 124.922 8.726 A30H-N 128.235 9.118 G31H-N 105.855 7.859 T32H-N 115.074 8.115 I33H-N 125.223 9.18 K34H-N 123.439 8.418 F35H-N 120.649 9.433 G36H-N 108.337 9.37 L37H-N 121.672 8.96 F38H-N 125.253 8.543 G39H-N 107.073 7.976 D40H-N 118.894 8.562 D41H-N 118.957 7.194 V42H-N 111.587 7.808 K44H-N 122.315 10.749 T45H-N 124.036 10.263 A46H-N 125.875 9.148 E47H-N 117.593 8.106 N48H-N 116.016 7.187 F49H-N 117.291 7.034 R50H-N 118.703 8.696 A51H-N 118.373 8.644 L52H-N 122.402 8.033 C53H-N 118.984 7.873 T54H-N 107.736 7.809 G55H-N 110.477 8.078 E56H-N 117.364 8.012 K57H-N 119.485 9.281 G58H-N 105.911 7.449 M59H-N 124.325 8.538 G60H-N 110.935 8.062 K61H-N 124.873 10.877 L62H-N 118.852 8.861 G63H-N 105.016 7.52 K64H-N 118.446 7.72 L66H-N 125.291 8.561 H67H-N 123.372 7.745 Y68H-N 121.859 8.59 K69H-N 122.346 5.782 G70H-N 117.121 9.575 S71H-N 116.593 8.21 F73H-N 120.51 8.433 H74H-N 119.241 7.458 R75H-N 123.429 7.002 V76H-N 128.449 9.308 I77H-N 127.08 8.578 N79H-N 117.624 9.674 N79HD21-ND2 113.495 7.391 N79HD22-ND2 113.495 6.805 F80H-N 114.003 7.589 M81H-N 111.867 8.159 I82H-N 113.422 8.315 Q83H-N 126.787 9.268 Q83HE21-NE2 109.922 7.075 Q83HE22-NE2 109.922 6.864 G84H-N 110.257 7.312 G85H-N 105.784 8.764 D86H-N 124.484 10.329 I87H-N 115.594 6.547 T88H-N 109.901 8.021 S89H-N 116.316 8.79 G90H-N 108.221 7.288 N91H-N 112.775 7.542 G92H-N 109.968 9.484 Y93H-N 121.149 7.971 G94H-N 111.464 8.979 G95H-N 108.359 8.419 E96H-N 118.383 7.006 S97H-N 116.639 7.915 I98H-N 111.762 8.431 Y99H-N 119.63 7.811 G100H-N 107.197 7.218 K102H-N 116.365 7.78 F103H-N 116.774 8.9 A104H-N 122.041 8.211 D105H-N 119.011 8.67 E106H-N 129.95 9.173 S107H-N 106.314 6.171 F108H-N 124.689 8.789 K109H-N 118.673 8.005 I110H-N 117.843 7.439 T111H-N 115.714 7.852 H112H-N 119.198 9.313 D113H-N 120.028 7.483 G114H-N 104.531 7.218 G116H-N 108.119 8.762 L117H-N 119.451 7.684 L118H-N 121.253 7.562 S119H-N 118.022 8.341 M120H-N 123.423 8.361 A121H-N 126.457 7.761 N122H-N 114.329 8.432 S123H-N 113.939 8.856 G124H-N 110.312 8.08 N126H-N 119.528 8.979 N126HD21-ND2 113.661 7.305 N126HD22-ND2 113.661 7.804 T127H-N 109.986 10.154 N128H-N 120.436 7.259 G129H-N 110.665 9.152 S130H-N 117.259 8.414 Q131H-N 123.486 8.235 F132H-N 117.833 7.923 F133H-N 116.516 9.794 I134H-N 118.675 9.2 T135H-N 116.836 9.242 T136H-N 110.598 8.702 V137H-N 115.812 7.721 C139H-N 116.71 7.786 W141H-N 116.006 6.892 L142H-N 120.086 7.225 N143H-N 120.337 7.556 G144H-N 110.962 9.507 K145H-N 114.277 7.517 H146H-N 118.106 7.355 V147H-N 124.748 8.25 V148H-N 131.877 8.759 F149H-N 117.602 8.16 G150H-N 111.29 7.044 K151H-N 113.652 8.642 V152H-N 122.937 9.2 I153H-N 122.048 8.921 E154H-N 122.373 7.616 G155H-N 111.524 9.0 M156H-N 122.984 8.904 E157H-N 118.172 9.879 I158H-N 122.248 7.679 V159H-N 121.491 7.205 K160H-N 116.469 8.131 K161H-N 122.412 7.6 I162H-N 119.976 8.185 E163H-N 119.182 8.427 S164H-N 111.647 7.599 L165H-N 122.849 7.859 G166H-N 105.547 7.601 S167H-N 109.901 7.912 S169H-N 110.416 8.097 G170H-N 111.752 7.996 T171H-N 119.112 7.599 K173H-N 119.355 9.131 A174H-N 118.628 7.438 K175H-N 119.938 8.231 I176H-N 132.343 9.202 I177H-N 123.747 8.935 I178H-N 123.552 8.09 A179H-N 135.474 8.759 D180H-N 111.043 8.083 C181H-N 116.133 8.932 G182H-N 103.004 6.82 E183H-N 120.102 8.921 I184H-N 124.893 8.446 T185H-N 121.635 8.432 E186H-N 123.65 8.454