Assignment w1 w2 A2H-N 120.713 8.89 M3H-N 119.976 8.564 G4H-N 110.337 8.444 G5H-N 108.807 8.3 K6H-N 120.91 8.226 T7H-N 115.136 8.271 S8H-N 117.641 8.283 W9H-N 123.02 8.138 W9HE1-NE1 129.68 10.218 E10H-N 123.531 8.32 K11H-N 120.189 7.845 G12H-N 109.234 8.409 S13H-N 114.849 7.982 L14H-N 124.382 8.764 V15H-N 124.074 8.446 S16H-N 123.697 8.774 G19H-N 108.095 8.139 L20H-N 122.318 7.335 Q21H-N 126.042 8.138 M22H-N 123.619 9.268 L23H-N 122.154 8.657 L24H-N 124.436 8.546 V25H-N 128.899 9.083 K26H-N 128.861 8.559 E27H-N 123.468 7.893 G28H-N 107.054 8.945 V29H-N 122.226 8.297 Q30H-N 119.419 9.221 N31H-N 119.056 8.108 N31HD21-ND2 112.85 7.542 N31HD22-ND2 112.85 6.808 A32H-N 123.495 7.441 K33H-N 120.997 8.9 T34H-N 108.903 6.669 D35H-N 117.851 8.177 V36H-N 117.736 7.701 V37H-N 129.546 8.133 V38H-N 127.604 7.679 N39H-N 122.641 8.98 S40H-N 121.343 8.36 V41H-N 119.936 9.022 L43H-N 118.954 8.395 D44H-N 110.995 7.556 L45H-N 111.903 8.231 V46H-N 119.195 7.11 L47H-N 127.805 9.504 S48H-N 110.8 7.788 R49H-N 119.86 7.136 G50H-N 108.218 7.897 L52H-N 119.742 8.27 S53H-N 115.242 7.831 K54H-N 123.26 8.695 S55H-N 115.509 7.673 L56H-N 123.335 7.666 L57H-N 120.892 8.555 E58H-N 118.72 8.483 K59H-N 117.145 7.193 A60H-N 120.749 8.972 G61H-N 103.107 7.846 E63H-N 121.666 9.54 L64H-N 117.836 7.372 Q65H-N 115.085 6.63 E66H-N 118.213 7.027 E67H-N 121.024 8.61 L68H-N 120.64 7.981 D69H-N 117.857 8.394 T70H-N 117.119 7.961 V71H-N 123.018 8.866 G72H-N 106.979 8.63 Q73H-N 118.577 7.387 G74H-N 108.226 8.287 V75H-N 118.403 7.536 A76H-N 127.838 8.372 V77H-N 127.336 8.342 S78H-N 122.159 8.907 M79H-N 119.617 8.473 G80H-N 114.254 9.635 T81H-N 119.823 8.211 V82H-N 126.409 8.166 L83H-N 128.12 9.607 K84H-N 124.897 8.688 T85H-N 114.484 9.46 S86H-N 116.849 9.601 S87H-N 110.905 7.294 W88H-N 120.977 7.593 W88HE1-NE1 129.661 10.489 N89H-N 119.198 8.794 L90H-N 118.884 8.043 D91H-N 118.19 8.575 C92H-N 114.597 7.024 R93H-N 119.251 8.787 Y94H-N 112.226 7.786 V95H-N 120.716 8.592 L96H-N 124.406 8.493 H97H-N 126.525 9.646 V98H-N 116.36 9.23 V99H-N 126.803 8.355 A100H-N 130.123 8.23 E102H-N 114.902 7.883 W103H-N 124.128 8.881 W103HE1-NE1 129.63 10.309 S107H-N 114.417 6.917 L111H-N 121.567 7.619 K112H-N 118.511 7.738 I113H-N 117.714 8.165 M114H-N 118.539 8.022 E115H-N 118.878 8.302 D116H-N 118.854 8.441 I117H-N 121.286 8.549 I118H-N 121.042 7.884 R119H-N 119.117 8.289 E120H-N 119.752 8.832 C121H-N 115.297 8.447 M122H-N 120.388 7.511 E123H-N 120.608 8.607 I124H-N 121.426 9.086 T125H-N 117.733 7.359 E126H-N 120.631 7.917 S127H-N 119.273 8.742 L128H-N 122.089 7.565 S129H-N 112.065 8.252 L130H-N 118.189 7.401 K131H-N 116.805 8.698 S132H-N 111.161 7.641 I133H-N 118.173 7.912 A134H-N 128.025 8.005 F135H-N 119.104 9.334 A137H-N 121.801 8.702 I138H-N 119.908 7.786 G144H-N 104.787 7.714 K147H-N 124.757 8.846 N148H-N 115.796 8.771 I149H-N 121.266 6.745 F150H-N 119.775 8.454 A151H-N 119.014 7.611 E152H-N 114.392 7.113 L153H-N 120.978 7.855 I154H-N 119.274 8.226 I155H-N 123.004 7.339 S156H-N 115.178 8.284 E157H-N 122.536 8.404 V158H-N 122.732 8.385 F159H-N 120.606 8.677 S163H-N 114.065 7.888 T169H-N 111.639 9.136 L170H-N 127.92 9.15 Q171H-N 124.122 9.132 Q171HE21-NE2 111.247 7.032 Q171HE22-NE2 111.247 7.563 E172H-N 118.591 7.869 V173H-N 122.944 9.068 H174H-N 127.164 9.512 F175H-N 124.05 9.237 L176H-N 128.541 8.224 L177H-N 126.689 8.72 H178H-N 124.412 8.852 S180H-N 113.379 9.581 D181H-N 125.635 8.58 H182H-N 122.015 7.93 E183H-N 119.178 9.007 N184H-N 118.846 7.5 I185H-N 121.292 8.377 Q186H-N 121.109 8.445 A187H-N 120.915 7.82 F188H-N 116.693 8.748 D190H-N 122.308 8.815 E191H-N 121.278 7.536 F192H-N 121.168 8.868 A193H-N 119.087 8.06 R194H-N 117.378 7.79 R195H-N 116.311 7.55 A196H-N 122.724 7.488 N197H-N 122.857 7.742