Assignment w1 w2 A2H-N 125.025 8.238 K3H-N 122.146 8.248 Q5H-N 119.056 8.294 Q5HE21-NE2 112.55 7.43 Q5HE22-NE2 112.55 6.834 I6H-N 124.965 8.476 K8H-N 119.533 8.183 D9H-N 118.828 7.348 K10H-N 124.433 8.445 S11H-N 111.151 8.663 K12H-N 124.532 7.644 V13H-N 119.777 7.795 A14H-N 128.867 9.305 G15H-N 105.338 7.575 Y16H-N 118.499 9.043 I17H-N 122.868 9.324 E18H-N 126.307 9.216 I19H-N 122.061 8.966 D21H-N 117.815 9.689 A22H-N 117.601 7.512 D23H-N 119.235 8.094 I24H-N 116.465 7.086 K25H-N 133.923 9.387 E26H-N 123.658 8.879 V28H-N 120.471 8.214 Y29H-N 127.9 9.411 G31H-N 106.927 8.522 A33H-N 122.213 7.479 T34H-N 115.504 7.923 E36H-N 115.485 8.265 Q37H-N 121.319 7.678 L38H-N 116.728 8.376 N39H-N 116.11 7.531 N39HD21-ND2 112.817 7.567 N39HD22-ND2 112.817 6.879 R40H-N 121.317 7.693 R40HE-NE 85.576 7.12 G41H-N 105.984 7.918 V42H-N 116.388 8.33 S43H-N 117.304 8.219 F44H-N 121.182 8.003 A45H-N 120.944 7.936 E46H-N 114.718 8.28 E47H-N 121.16 9.028 N48H-N 117.386 8.355 N48HD21-ND2 113.182 7.566 N48HD22-ND2 113.182 6.844 E49H-N 119.155 7.521 S50H-N 116.221 8.515 L51H-N 123.094 8.66 D52H-N 119.473 8.238 D53H-N 121.4 7.555 Q54H-N 120.608 8.597 N55H-N 114.588 7.9 N55HD21-ND2 110.926 7.395 N55HD22-ND2 110.926 6.184 I56H-N 125.976 7.687 S57H-N 121.481 8.624 I58H-N 126.071 9.056 A59H-N 130.017 9.363 G60H-N 102.533 8.205 H61H-N 117.143 9.173 T62H-N 111.163 7.977 F63H-N 126.058 8.699 I64H-N 122.159 8.598 D65H-N 116.91 8.322 R66H-N 119.515 7.646 R66HE-NE 84.045 6.78 N68H-N 113.54 8.41 N68HD21-ND2 112.103 7.678 N68HD22-ND2 112.103 6.95 Y69H-N 120.847 7.873 Q70H-N 127.463 9.204 Q70HE21-NE2 107.399 7.401 Q70HE22-NE2 107.399 6.812 F71H-N 121.004 8.173 T72H-N 121.467 8.737 N73H-N 117.594 9.77 N73HD21-ND2 112.196 7.422 N73HD22-ND2 112.196 6.874 L74H-N 121.565 7.413 K75H-N 113.615 7.893 A76H-N 122.276 7.783 A77H-N 119.873 7.92 K78H-N 121.898 8.423 K79H-N 121.445 8.539 G80H-N 116.495 9.185 S81H-N 118.651 8.404 M82H-N 121.979 8.46 V83H-N 121.662 8.854 Y84H-N 124.532 9.324 F85H-N 125.8 9.517 K86H-N 130.564 9.264 V87H-N 122.479 8.096 G88H-N 116.549 8.914 N89H-N 124.394 8.969 N89HD21-ND2 112.522 7.532 N89HD22-ND2 112.522 6.875 E90H-N 121.323 8.276 T91H-N 120.366 8.67 R92H-N 128.466 9.379 R92HE-NE 86.144 7.542 K93H-N 122.146 8.482 Y94H-N 120.383 9.191 K95H-N 120.013 9.238 M96H-N 126.199 9.286 S98H-N 109.439 8.285 I99H-N 125.843 8.504 V102H-N 113.004 7.581 K103H-N 124.189 8.813 T105H-N 105.061 7.203 D106H-N 122.177 7.906 V107H-N 118.43 7.466 E108H-N 123.651 8.366 V109H-N 119.874 7.91 L110H-N 124.528 8.047 D111H-N 120.95 8.184 E112H-N 120.731 8.304 Q113H-N 119.88 8.245 Q113HE21-NE2 112.289 7.546 Q113HE22-NE2 112.289 6.772 K114H-N 121.541 8.084 G115H-N 109.839 8.375 K116H-N 119.771 8.135 D117H-N 120.277 8.023 K118H-N 121.803 8.829 Q119H-N 117.515 8.92 Q119HE21-NE2 110.957 7.366 Q119HE22-NE2 110.957 6.579 L120H-N 124.899 8.915 T121H-N 123.105 9.31 L122H-N 128.011 9.406 I123H-N 123.299 9.183 T124H-N 118.114 9.482 C125H-N 119.803 7.999 D126H-N 121.614 8.778 D127H-N 121.082 9.346 Y128H-N 124.718 8.772 N129H-N 128.359 8.064 N129HD21-ND2 113.182 7.759 N129HD22-ND2 113.182 6.79 E130H-N 123.677 8.8 K131H-N 118.212 8.159 T132H-N 106.435 7.111 G133H-N 112.088 8.3 V134H-N 115.595 6.676 W135H-N 124.931 8.488 W135HE1-NE1 130.528 10.351 E136H-N 124.263 8.713 K137H-N 119.167 8.257 R138H-N 124.871 8.137 R138HE-NE 84.295 7.231 K139H-N 120.568 8.067 I140H-N 116.913 9.048 F141H-N 123.473 9.075 A143H-N 133.374 9.509 T144H-N 115.292 8.707 E145H-N 127.175 8.918 V146H-N 126.99 8.452 K147H-N 127.1 8.52 T148H-N 111.625 8.629 R149H-N 122.847 8.425 E150H-N 122.546 8.558 S151H-N 116.335 8.397 G152H-N 110.851 8.411 S153H-N 115.684 8.16 I154H-N 122.59 8.176 E155H-N 124.54 8.352 F156H-N 120.988 8.25