Assignment w1 w2 A3H-N 123.372 8.979 I4H-N 119.605 8.596 A5H-N 128.359 8.776 K6H-N 125.862 9.296 Y7H-N 112.425 7.248 D8H-N 117.717 8.316 F9H-N 120.963 8.389 K10H-N 128.713 7.272 A11H-N 126.482 8.057 T12H-N 113.355 8.942 A13H-N 123.338 7.415 D14H-N 118.499 8.619 D15H-N 115.23 8.098 E16H-N 119.506 7.446 L17H-N 123.59 8.089 S18H-N 116.618 7.722 F19H-N 115.731 8.706 K20H-N 121.228 9.589 R21H-N 120.807 9.076 G22H-N 115.171 8.848 D23H-N 122.053 8.46 I24H-N 119.51 8.13 L25H-N 127.635 8.749 K26H-N 121.456 8.387 L28H-N 127.14 8.883 S32H-N 117.396 8.452 D33H-N 120.354 8.076 Q34H-N 120.351 7.931 Q34HE22-NE2 112.707 7.559 W36H-N 119.674 7.734 Y37H-N 119.679 9.117 K38H-N 122.586 8.895 A39H-N 129.789 9.228 E40H-N 117.959 8.874 L41H-N 124.16 8.695 N42H-N 127.174 9.612 N42HD21-ND2 113.519 7.054 N42HD22-ND2 113.519 7.677 G43H-N 105.267 9.548 K44H-N 122.665 7.749 D45H-N 120.191 8.203 G46H-N 105.267 8.759 F47H-N 119.047 9.351 I48H-N 113.04 9.542 K50H-N 122.41 7.971 N51H-N 112.309 8.384 Y52H-N 119.605 7.672 I53H-N 111.482 7.255 E54H-N 120.835 8.667 M55H-N 125.86 9.023 K56H-N 123.788 8.269 H58H-N 120.674 8.405 W60H-N 119.947 8.836 W60HE1-NE1 132.162 10.828 K64H-N 127.241 8.709 I65H-N 121.505 7.275 R67H-N 125.869 9.023 A68H-N 118.092 9.206 K69H-N 117.466 6.851 A70H-N 122.715 8.063 E71H-N 115.308 8.181 E72H-N 120.82 7.792 M73H-N 116.94 8.016 L74H-N 117.947 8.191 S75H-N 114.11 8.224 K76H-N 117.175 6.755 Q77H-N 117.995 7.314 R78H-N 118.339 8.623 H79H-N 116.654 7.699 D80H-N 122.617 8.582 G81H-N 111.447 9.426 A82H-N 124.813 7.494 F83H-N 117.965 7.262 L84H-N 112.079 8.773 I85H-N 119.521 9.334 R86H-N 123.357 9.275 E87H-N 122.905 8.544 S88H-N 120.656 8.549 E89H-N 127.945 9.053 S90H-N 113.638 8.31 A91H-N 126.827 7.518 G93H-N 114.127 8.999 D94H-N 120.522 7.934 F95H-N 118.449 9.245 S96H-N 115.879 9.468 L97H-N 127.63 9.624 S98H-N 124.518 9.183 V99H-N 122.21 9.224 K100H-N 128.825 9.171 F101H-N 128.184 8.638 G102H-N 121.001 9.334 N103H-N 123.9 8.733 D104H-N 119.075 7.873 V105H-N 120.248 8.255 Q106H-N 125.7 9.0 H107H-N 118.761 8.53 F108H-N 121.496 10.26 K109H-N 126.115 9.611 V110H-N 124.111 8.137 L111H-N 132.391 8.396 R112H-N 115.825 7.802 D113H-N 121.351 7.957 A115H-N 122.803 8.059 G116H-N 107.538 8.012 Y118H-N 118.279 8.847 F119H-N 116.889 9.153 L120H-N 112.059 8.757 V123H-N 121.941 8.156 K124H-N 121.766 7.656 N126H-N 118.063 9.392 S127H-N 107.133 7.427 L131H-N 122.64 6.766 D133H-N 115.439 7.528 R136H-N 116.448 7.331 S137H-N 107.198 7.095 T138H-N 120.073 7.19 S141H-N 110.948 7.625 R142H-N 124.307 8.601 N143H-N 115.089 8.051 Q144H-N 117.782 7.515 I146H-N 124.134 7.929 F147H-N 126.087 8.426 L148H-N 118.952 8.127 R149H-N 123.335 8.24 D150H-N 121.276 8.582 E152H-N 125.456 8.84 Q153H-N 123.506 8.681 V154H-N 123.284 8.278 Q156H-N 120.669 8.414 Q157H-N 122.653 8.375 T159H-N 116.363 8.491 Y160H-N 122.812 8.719 V161H-N 112.132 8.754 Q162H-N 120.644 9.081 Q162HE21-NE2 111.977 6.605 Q162HE22-NE2 111.977 6.961 A163H-N 127.095 8.665 L164H-N 126.385 9.434 F165H-N 112.781 7.164 D166H-N 118.315 8.414 F167H-N 121.516 8.313 D168H-N 127.977 7.595 Q170H-N 119.997 8.835 E171H-N 116.593 7.305 D172H-N 121.156 8.58 G173H-N 110.47 8.704 E174H-N 120.091 7.528 L175H-N 126.996 9.152 G176H-N 108.418 8.175 F177H-N 112.985 7.998 R178H-N 120.446 9.269 R179H-N 120.671 9.118 G180H-N 115.001 8.548 D181H-N 122.299 8.291 F182H-N 117.893 8.452 I183H-N 123.504 9.004 H184H-N 127.455 8.524 V185H-N 128.713 8.734 M186H-N 125.949 9.098 D187H-N 116.549 7.488 N188H-N 126.075 8.052 S189H-N 115.586 8.109 D190H-N 126.791 8.507 N192H-N 113.221 8.545 W193H-N 122.625 8.854 W193HE1-NE1 128.973 9.458 W194H-N 125.685 8.543 K195H-N 119.405 8.536 G196H-N 115.206 9.692 A197H-N 120.779 8.867 A198H-N 123.364 8.597 G200H-N 105.266 8.72 Q201H-N 120.531 8.074 T202H-N 112.887 8.388 G203H-N 108.402 9.053 M204H-N 117.338 8.929 F205H-N 118.309 9.571 R207H-N 125.305 7.693 N208H-N 114.24 8.43 Y209H-N 119.321 7.719 V210H-N 109.875 7.427 T211H-N 113.676 8.523 V213H-N 118.864 7.946 N214H-N 122.357 8.576 R215H-N 121.485 8.265 N216H-N 120.471 8.373 V217H-N 123.37 7.441