Assignment w1 w2 S2H-N 115.838 8.721 K3H-N 123.662 8.682 T4H-N 114.286 8.227 G5H-N 110.919 8.321 T6H-N 114.221 8.127 K7H-N 125.36 8.602 I8H-N 125.241 8.465 T9H-N 121.782 8.36 F10H-N 125.138 8.698 Y11H-N 117.862 9.016 E12H-N 120.75 9.206 D13H-N 115.057 8.062 K14H-N 118.029 8.584 N15H-N 113.159 9.273 N15HD21-ND2 112.856 7.516 N15HD22-ND2 112.856 6.79 F16H-N 112.352 8.002 Q17H-N 116.723 6.266 Q17HE21-NE2 113.109 7.217 Q17HE22-NE2 113.109 6.917 G18H-N 105.292 8.382 R19H-N 119.582 8.514 R19HE-NE 84.787 7.325 R20H-N 118.306 8.191 R20HE-NE 85.679 7.614 Y21H-N 122.944 8.934 D22H-N 126.637 7.545 C23H-N 118.647 8.747 D24H-N 122.458 8.566 C25H-N 115.735 8.269 D26H-N 118.339 8.167 C27H-N 123.076 9.466 A28H-N 130.729 9.245 D29H-N 113.144 7.629 F30H-N 124.001 8.627 H31H-N 122.425 8.747 T32H-N 110.533 7.634 Y33H-N 119.703 7.277 L34H-N 118.536 7.318 S35H-N 120.816 9.604 R36H-N 117.501 7.959 R36HE-NE 84.527 6.781 C37H-N 117.882 9.784 N38H-N 121.815 8.499 N38HD21-ND2 116.254 8.548 N38HD22-ND2 116.254 8.162 S39H-N 108.83 8.397 I40H-N 119.031 9.095 K41H-N 125.051 9.041 V42H-N 125.747 9.326 E43H-N 127.961 8.548 G44H-N 108.237 8.44 G45H-N 111.239 8.101 T46H-N 113.433 8.05 W47H-N 126.505 8.578 W47HE1-NE1 127.337 9.472 A48H-N 124.958 9.527 V49H-N 117.591 9.078 Y50H-N 119.394 8.876 E51H-N 124.119 9.624 R52H-N 114.265 8.265 R52HE-NE 83.506 7.021 N54H-N 113.92 9.933 N54HD21-ND2 113.519 7.389 N54HD22-ND2 113.519 6.801 F55H-N 112.332 7.427 A56H-N 121.427 6.355 G57H-N 105.338 8.441 Y58H-N 121.237 8.308 I61H-N 122.766 8.177 L62H-N 131.906 9.647 Q64H-N 120.797 8.556 Q64HE21-NE2 112.036 7.577 Q64HE22-NE2 112.036 6.919 G65H-N 111.618 8.664 E66H-N 117.301 8.329 Y67H-N 118.722 9.259 E69H-N 112.414 6.916 Y70H-N 121.509 8.411 Q71H-N 123.624 8.522 Q71HE21-NE2 109.32 7.177 Q71HE22-NE2 109.32 6.218 R72H-N 117.507 8.045 R72HE-NE 83.245 7.715 W73H-N 116.449 7.279 W73HE1-NE1 130.2 9.988 M74H-N 113.023 7.654 G75H-N 105.496 7.561 L76H-N 120.844 7.544 N77H-N 111.949 7.305 N77HD21-ND2 115.75 7.861 N77HD22-ND2 115.75 7.216 D78H-N 114.427 7.717 R79H-N 118.863 7.875 R79HE-NE 84.966 7.377 L80H-N 122.605 7.15 S81H-N 108.999 8.73 S82H-N 109.98 7.659 C83H-N 112.86 9.737 R84H-N 119.275 10.101 R84HE-NE 83.509 6.585 A85H-N 127.241 8.238 V86H-N 122.913 8.077 H87H-N 126.089 8.671 L88H-N 126.688 8.694 S90H-N 117.685 8.702 G91H-N 111.263 8.636 G92H-N 107.367 8.064 Q93H-N 117.994 7.817 Q93HE21-NE2 112.86 7.518 Q93HE22-NE2 112.86 6.878 Y94H-N 118.674 8.36 I96H-N 128.741 9.043 Q97H-N 116.341 8.853 Q97HE21-NE2 109.297 7.905 Q97HE22-NE2 109.297 6.407 F99H-N 117.17 8.085 E100H-N 121.303 8.936 K101H-N 112.888 7.87 G102H-N 106.342 8.6 F104H-N 111.449 7.91 S105H-N 113.35 6.477 G106H-N 106.203 8.376 Q107H-N 120.499 8.769 Q107HE21-NE2 114.457 6.922 M108H-N 124.755 7.747 Y109H-N 122.248 8.228 E110H-N 122.958 8.804 T111H-N 118.041 8.866 T112H-N 114.985 8.166 E113H-N 121.668 8.45 D114H-N 118.792 8.336 C115H-N 121.171 8.993 S117H-N 111.71 7.177 I118H-N 131.975 8.68 M119H-N 123.633 8.968 E120H-N 117.678 7.674 Q121H-N 113.859 7.288 Q121HE21-NE2 111.295 7.052 Q121HE22-NE2 111.295 6.803 F122H-N 113.644 7.84 H123H-N 114.341 7.498 M124H-N 115.407 6.93 R125H-N 118.548 8.877 R125HE-NE 84.608 7.274 E126H-N 115.148 7.611 I127H-N 118.678 8.131 S129H-N 106.454 8.02 C130H-N 115.162 9.951 E134H-N 125.309 8.871 I138H-N 119.343 9.459 F139H-N 125.207 8.969 Y140H-N 116.484 8.962 E141H-N 122.355 9.247 L142H-N 113.38 8.071 N144H-N 112.883 9.686 N144HD21-ND2 112.539 7.389 N144HD22-ND2 112.539 6.763 Y145H-N 112.156 7.884 R146H-N 116.539 6.143 R146HE-NE 85.194 7.047 G147H-N 105.72 8.37 R148H-N 120.71 8.606 R148HE-NE 85.296 7.539 Y150H-N 116.554 8.736 L151H-N 125.603 8.283 L152H-N 130.999 9.31 E156H-N 121.467 7.969 R158H-N 124.876 8.984 R158HE-NE 85.606 7.505 K159H-N 115.159 7.874 I161H-N 114.002 7.188 D162H-N 123.951 8.157 W163H-N 116.661 7.602 W163HE1-NE1 130.637 9.764 G164H-N 107.973 7.82 A165H-N 123.907 7.109 A166H-N 122.22 8.683 S167H-N 114.001 7.643 A169H-N 123.212 7.471 V170H-N 126.093 7.297 Q171H-N 118.929 8.541 Q171HE21-NE2 114.525 7.711 Q171HE22-NE2 114.525 7.109 S172H-N 112.064 8.36 F173H-N 111.679 8.937 R174H-N 115.999 9.537 R174HE-NE 84.01 6.689 R175H-N 121.774 8.487 R175HE-NE 85.467 6.747 I176H-N 121.395 7.88 V177H-N 124.695 8.076 E178H-N 127.921 7.919