Assignment w1 w2 L3H-N 125.91 8.284 I4H-N 121.075 8.007 E5H-N 124.8 8.417 N6H-N 119.249 8.326 N6HD21-ND2 112.769 6.899 N6HD22-ND2 112.769 6.899 L7H-N 122.58 8.21 N8H-N 118.499 8.349 N8HD21-ND2 112.769 6.899 N8HD22-ND2 112.769 6.899 S9H-N 116.356 8.168 D10H-N 122.376 8.335 K11H-N 121.423 8.217 T12H-N 114.339 8.107 F13H-N 121.716 8.11 L14H-N 122.462 7.982 E15H-N 120.563 8.238 Y19H-N 120.614 8.284 T20H-N 113.038 7.853 D21H-N 121.975 8.628 E22H-N 118.667 8.466 G23H-N 107.94 8.152 K25H-N 117.948 7.511 V26H-N 120.0 8.66 Y27H-N 108.824 8.073 F29H-N 119.449 7.814 I30H-N 114.668 7.103 F31H-N 118.167 8.522 G32H-N 109.558 7.874 E33H-N 118.73 8.036 N34H-N 114.2 10.35 G40H-N 105.488 7.382 L41H-N 131.628 8.783 E42H-N 119.298 8.596 A43H-N 119.624 7.571 T44H-N 116.106 7.103 K45H-N 118.026 8.114 K46H-N 118.577 7.439 I47H-N 120.921 8.699 L48H-N 117.385 7.68 S49H-N 114.365 7.373 D50H-N 118.759 8.149 I51H-N 120.862 7.426 E52H-N 129.894 8.754 L53H-N 123.64 6.947 N54H-N 116.666 8.926 N54HD21-ND2 115.11 6.723 N54HD22-ND2 115.11 7.685 E55H-N 117.051 8.918 N56H-N 115.46 8.539 N56HD21-ND2 115.003 7.055 N56HD22-ND2 115.003 7.572 S57H-N 119.402 7.997 K58H-N 123.197 9.836 V59H-N 126.211 9.041 L60H-N 131.356 8.094 D61H-N 127.423 8.957 I62H-N 124.188 9.092 G63H-N 119.277 9.045 S64H-N 115.42 7.766 G65H-N 115.263 9.59 L66H-N 126.141 7.881 G67H-N 99.889 7.682 G68H-N 107.815 7.924 G69H-N 111.774 8.855 C70H-N 120.231 7.969 M71H-N 118.057 8.805 Y72H-N 120.45 8.399 I73H-N 119.621 8.335 N74H-N 118.155 8.592 E75H-N 122.627 8.334 K76H-N 118.17 8.506 Y77H-N 111.396 7.633 G78H-N 107.69 7.88 A79H-N 117.499 5.872 H80H-N 119.875 8.218 T81H-N 115.587 8.812 H82H-N 129.757 8.801 G83H-N 114.419 9.603 I84H-N 124.044 8.973 D85H-N 130.735 8.766 I86H-N 121.751 8.673 C87H-N 123.447 8.826 V91H-N 122.647 7.468 N92H-N 117.639 8.118 N92HD21-ND2 112.72 7.471 N92HD22-ND2 112.72 6.898 M93H-N 119.556 7.471 A94H-N 124.168 8.275 N95H-N 114.074 8.609 E96H-N 120.162 7.772 R97H-N 117.138 7.641 V98H-N 109.56 7.309 S99H-N 117.264 7.289 G100H-N 114.011 8.825 N101H-N 119.651 8.092 N102H-N 121.923 8.617 N102HD21-ND2 111.8 7.55 N102HD22-ND2 111.8 6.86 K103H-N 117.936 8.166 I104H-N 116.598 6.834 I105H-N 125.204 7.75 F106H-N 121.501 7.898 E107H-N 125.75 9.395 A108H-N 129.757 8.781 N109H-N 122.922 8.476 D110H-N 118.748 8.739 I111H-N 128.721 9.127 L112H-N 119.03 8.223 T113H-N 108.444 7.839 K114H-N 124.192 7.293 E115H-N 123.448 8.094 F116H-N 119.939 7.414 E118H-N 117.777 8.019 N119H-N 115.937 8.853 N119HD21-ND2 113.99 7.526 N119HD22-ND2 113.99 6.775 N120H-N 116.244 7.992 F121H-N 111.354 8.287 D122H-N 122.795 9.589 L123H-N 119.108 7.577 I124H-N 127.706 8.696 S126H-N 116.661 7.886 R127H-N 128.6 9.78 D128H-N 126.24 8.79 A129H-N 118.22 9.17 L133H-N 122.426 8.269 S134H-N 117.231 8.707 L135H-N 123.094 9.137 E136H-N 118.191 8.971 N137H-N 119.343 7.55 K138H-N 123.393 9.03 N139H-N 114.746 7.274 N139HD21-ND2 111.367 6.702 N139HD22-ND2 111.367 7.073 K140H-N 117.56 7.76 L141H-N 119.265 8.317 F142H-N 119.822 8.462 Q143H-N 119.875 8.204 Q143HE21-NE2 111.343 6.803 Q143HE22-NE2 111.343 7.448 K144H-N 121.56 7.487 C145H-N 114.175 8.548 Y146H-N 117.826 8.112 K147H-N 118.121 7.034 W148H-N 116.438 8.439 W148HE1-NE1 128.074 10.579 L149H-N 123.852 7.843 G153H-N 111.299 8.451 T154H-N 116.047 7.759 L155H-N 130.242 9.164 L156H-N 130.514 9.212 I157H-N 124.889 8.963 T158H-N 112.55 8.774 D159H-N 123.643 9.05 Y160H-N 121.532 8.342 C161H-N 120.766 9.025 A162H-N 122.361 8.229 T163H-N 111.33 7.862 E164H-N 124.28 8.913 K165H-N 122.439 8.329 E166H-N 118.866 8.893 N167H-N 115.067 8.255 W168H-N 121.517 7.857 W168HE1-NE1 127.264 9.697 D169H-N 120.791 7.357 D170H-N 119.859 8.6 E171H-N 120.5 8.46 F172H-N 123.373 8.603 K173H-N 116.982 8.604 E174H-N 118.936 7.923 Y175H-N 122.971 7.791 V176H-N 117.193 7.982 K177H-N 119.859 7.599 Q178H-N 118.921 8.346 R179H-N 115.304 7.18 K180H-N 113.604 7.48 Y181H-N 116.341 7.08 T182H-N 119.077 8.664 L183H-N 126.004 8.837 I184H-N 116.807 8.284 T185H-N 111.765 8.819 V186H-N 120.938 8.831 E187H-N 117.933 8.613 E188H-N 120.375 8.223 Y189H-N 125.286 8.379 A190H-N 120.015 8.171 D191H-N 117.77 7.859 I192H-N 123.524 7.998 L193H-N 119.28 7.524 T194H-N 117.685 8.504 A195H-N 127.447 8.451 C196H-N 115.559 7.599 N197H-N 108.333 7.618 N197HD21-ND2 112.006 6.523 N197HD22-ND2 112.006 6.523 F198H-N 116.075 7.517 K199H-N 120.053 8.962 N200H-N 115.559 8.717 V201H-N 116.95 8.086 V202H-N 133.873 9.707 S203H-N 118.917 8.255 K204H-N 120.969 8.869 D205H-N 121.257 8.556 L206H-N 129.359 9.292 S207H-N 119.449 9.098 Y209H-N 124.077 7.927 W210H-N 120.64 8.87 N211H-N 114.92 8.17 N211HD21-ND2 110.195 7.398 N211HD22-ND2 110.195 7.398 Q212H-N 119.358 7.704 L213H-N 120.856 8.257 L214H-N 118.214 7.938 E215H-N 117.467 7.765 V216H-N 121.77 8.061 H218H-N 122.733 8.366 L221H-N 120.872 8.067 H222H-N 113.651 7.316 E223H-N 120.578 9.006 N224H-N 115.884 7.569 K225H-N 122.049 7.015 E226H-N 116.904 8.6 E227H-N 119.371 7.942 F228H-N 120.888 8.333 L229H-N 117.482 8.528 K230H-N 117.709 7.248 L231H-N 118.343 7.088 F232H-N 118.51 8.032 S233H-N 112.334 7.623 E234H-N 112.334 7.623 K235H-N 118.405 8.365 K236H-N 118.714 7.797 F237H-N 121.485 7.916 I238H-N 119.289 8.509 S239H-N 113.507 7.65 L240H-N 124.169 7.786 D241H-N 120.497 8.604 D242H-N 119.723 8.773 G243H-N 108.062 8.323 W244H-N 126.407 9.462 S245H-N 114.908 8.372 R246H-N 122.27 7.903 K247H-N 119.577 7.588 I248H-N 120.84 8.325 K249H-N 121.726 7.738 D250H-N 120.074 8.568 S251H-N 118.057 8.263 K252H-N 122.279 7.742 R253H-N 116.619 7.571 K254H-N 112.514 7.689 M255H-N 118.292 7.728 Q256H-N 117.232 7.269 R257H-N 122.858 8.163 W258H-N 125.832 8.201 G259H-N 114.292 8.789 Y260H-N 123.061 7.75 F261H-N 123.894 8.509 K262H-N 122.764 8.529 A263H-N 127.004 9.15 T264H-N 110.35 8.956 K265H-N 122.686 8.116 N266H-N 122.686 8.116