Assignment w1 w2 F3H-N 121.337 8.398 M4H-N 122.104 8.243 L5H-N 124.657 8.491 T6H-N 120.788 9.05 T7H-N 120.427 8.83 L8H-N 129.746 9.233 I9H-N 123.018 8.587 Y10H-N 124.461 8.039 R11H-N 117.517 8.605 R11HE-NE 84.781 7.42 S12H-N 119.265 9.474 Q13H-N 116.67 9.207 Q13HE21-NE2 111.506 7.9 Q13HE22-NE2 111.506 6.964 V14H-N 115.636 8.284 H15H-N 123.353 8.582 D17H-N 116.402 9.179 R18H-N 118.899 7.28 V21H-N 123.376 8.561 D22H-N 124.605 8.401 L23H-N 128.342 8.288 D24H-N 118.777 7.975 A25H-N 122.506 7.69 L26H-N 119.102 7.418 V27H-N 119.133 8.232 H28H-N 121.641 8.226 R29H-N 118.84 7.833 A30H-N 119.521 7.843 S31H-N 111.108 8.642 S32H-N 112.039 7.368 K33H-N 122.119 7.874 N34H-N 116.821 8.557 N34HD21-ND2 103.316 7.096 N34HD22-ND2 103.316 6.96 L35H-N 118.714 7.43 L37H-N 115.619 6.96 G38H-N 108.442 8.301 I39H-N 124.471 7.916 T40H-N 116.648 8.742 G41H-N 101.519 7.556 I42H-N 112.706 7.923 L43H-N 125.884 8.552 L44H-N 125.506 9.959 F45H-N 118.247 8.291 N46H-N 121.701 7.847 N46HD21-ND2 113.885 7.998 N46HD22-ND2 113.885 7.485 L48H-N 119.739 7.524 Q49H-N 117.347 8.802 Q49HE21-NE2 110.993 7.687 Q49HE22-NE2 110.993 6.874 F50H-N 118.761 8.657 F51H-N 121.221 8.446 Q52H-N 129.479 8.196 Q52HE21-NE2 111.483 8.631 Q52HE22-NE2 111.483 7.155 V53H-N 123.365 8.436 L54H-N 125.832 9.179 E55H-N 118.805 9.142 G56H-N 107.838 8.829 T57H-N 113.188 8.867 E58H-N 123.24 8.622 E59H-N 116.776 9.0 A60H-N 122.965 7.614 L61H-N 117.846 8.444 E62H-N 119.793 8.624 S63H-N 113.341 7.46 L64H-N 121.837 7.857 F65H-N 119.705 9.47 S66H-N 113.327 7.66 E67H-N 121.08 7.137 I68H-N 121.779 8.276 Q69H-N 119.71 8.391 Q69HE21-NE2 111.557 6.616 Q69HE22-NE2 111.557 5.888 S70H-N 112.216 7.027 D71H-N 127.161 7.416 R73H-N 118.437 9.142 R73HE-NE 82.856 8.763 H74H-N 114.29 8.239 H74HE2-ND1 164.263 11.06 R75H-N 114.629 9.362 R75HE-NE 84.918 7.07 D76H-N 118.05 8.702 V77H-N 118.073 7.913 V78H-N 131.425 9.511 E79H-N 128.013 8.884 L80H-N 127.019 9.311 M81H-N 116.762 7.58 R82H-N 124.954 8.181 R82HE-NE 84.396 7.739 D83H-N 124.864 8.615 Y84H-N 119.705 8.556 S85H-N 116.7 8.684 A86H-N 125.82 8.723 Y87H-N 114.195 7.586 R88H-N 122.154 8.52 R89H-N 129.281 11.667 R89HE-NE 85.729 7.508 F90H-N 120.878 9.437 H91H-N 117.239 7.633 G92H-N 112.08 8.794 T93H-N 116.322 7.776 G94H-N 115.002 8.762 M95H-N 114.096 7.452 R96H-N 123.679 7.427 R96HE-NE 84.542 7.225 I97H-N 120.891 8.646 L98H-N 127.872 8.896 D99H-N 125.12 9.085 L100H-N 123.395 9.054 R101H-N 116.441 8.486 R101HE-NE 84.442 9.149 L102H-N 116.01 7.89 F103H-N 117.399 7.438 E104H-N 119.969 8.63 T105H-N 117.537 8.723 D106H-N 119.473 8.693 G107H-N 108.36 7.932 A108H-N 125.09 8.504 L109H-N 117.297 7.935 E110H-N 117.183 7.817 E111H-N 119.218 7.616 I112H-N 117.569 7.834 L113H-N 119.434 8.177 R114H-N 118.922 7.701 R114HE-NE 84.615 7.393 F115H-N 115.058 7.537 S116H-N 116.094 7.678 T117H-N 113.457 8.387 F118H-N 121.352 8.246 G119H-N 108.617 8.284 V120H-N 116.802 7.748 T121H-N 115.098 7.919 E122H-N 123.077 8.058 V124H-N 114.469 7.73 N125H-N 118.567 8.018 N125HD21-ND2 113.066 7.672 N125HD22-ND2 113.066 6.989 D126H-N 122.166 8.016 R127H-N 122.382 8.678 M128H-N 118.235 8.486 F129H-N 120.091 8.705 R130H-N 120.758 8.532 L131H-N 120.702 7.956 L132H-N 120.902 8.392 S133H-N 113.539 8.332 A134H-N 123.732 7.649 F135H-N 118.873 7.584 I136H-N 117.95 7.755 A137H-N 120.474 8.081 D138H-N 116.219 7.891 G139H-N 108.127 7.703 G140H-N 107.871 8.121 R141H-N 119.386 7.639 Y142H-N 120.114 8.237 C143H-N 120.395 8.304 L144H-N 124.909 8.297 E146H-N 122.459 8.348 L148H-N 128.363 7.883