Assignment w1 w2 A2H-N 124.632 8.859 D3H-N 118.117 8.331 D4H-N 120.189 8.025 R5H-N 120.044 8.205 L6H-N 121.986 7.831 N7H-N 121.456 8.89 N7HD21-ND2 115.734 6.867 N7HD22-ND2 115.734 7.965 F8H-N 120.422 8.399 G9H-N 116.343 9.139 D10H-N 120.07 8.038 R11H-N 121.16 8.518 I12H-N 121.381 8.972 L13H-N 119.485 9.275 V14H-N 120.085 9.221 K15H-N 132.853 8.7 A16H-N 133.244 8.899 G18H-N 111.325 8.617 Y19H-N 119.057 7.904 W21H-N 119.984 8.113 W21HE1-NE1 129.703 10.319 W22H-N 126.771 9.265 W22HE1-NE1 130.249 10.572 A24H-N 127.911 9.805 L25H-N 118.143 8.705 L26H-N 123.774 8.431 L27H-N 126.931 8.728 R28H-N 113.851 7.287 R29H-N 121.41 8.516 K30H-N 125.548 9.23 E31H-N 125.024 8.687 T32H-N 116.845 8.516 K33H-N 123.577 8.508 D34H-N 121.901 8.354 S35H-N 116.317 8.272 L36H-N 122.253 8.239 N37H-N 118.101 8.177 N37HD21-ND2 113.106 6.912 N37HD22-ND2 113.106 7.672 T38H-N 113.818 8.187 N39H-N 119.96 8.448 N39HD21-ND2 113.007 6.928 N39HD22-ND2 113.007 7.617 S40H-N 115.345 8.119 S41H-N 117.738 8.314 F42H-N 120.323 8.13 N43H-N 119.878 8.51 N43HD21-ND2 113.06 6.939 N43HD22-ND2 113.06 7.557 V44H-N 121.141 7.94 L45H-N 126.446 8.494 Y46H-N 119.342 9.676 K47H-N 126.448 8.659 L49H-N 118.87 8.352 F50H-N 120.83 8.664 F51H-N 119.041 8.626 D53H-N 119.634 8.453 F54H-N 114.428 8.483 N55H-N 112.673 8.365 N55HD21-ND2 116.352 6.627 N55HD22-ND2 116.352 7.602 F56H-N 117.201 8.089 A57H-N 120.096 8.298 W58H-N 119.959 8.645 W58HE1-NE1 129.349 10.398 V59H-N 117.095 9.707 K60H-N 120.258 8.637 R61H-N 119.91 8.898 N62H-N 113.326 8.417 N62HD21-ND2 111.861 7.655 N62HD22-ND2 111.861 6.885 S63H-N 116.739 8.151 V64H-N 116.083 7.538 K65H-N 122.92 8.97 L67H-N 122.899 7.845 L68H-N 128.304 8.762 D69H-N 122.273 9.047 S70H-N 113.65 8.661 E71H-N 123.719 7.066 I72H-N 122.316 7.73 A73H-N 119.426 7.632 K74H-N 118.638 7.81 F75H-N 120.294 8.048 G77H-N 104.9 7.796 S78H-N 115.225 7.053 S79H-N 117.61 8.443 K80H-N 121.876 7.591 R81H-N 121.09 8.474 K82H-N 122.61 8.15 S83H-N 117.094 8.468 K84H-N 125.142 8.995 E85H-N 118.057 9.107 L86H-N 122.689 7.797 I87H-N 120.377 8.236 E88H-N 117.432 8.299 A89H-N 122.584 7.951 Y90H-N 117.198 8.351 E91H-N 118.661 8.979 A92H-N 121.642 8.177 S93H-N 113.68 7.282 K94H-N 120.124 7.053 T95H-N 109.398 7.407 D98H-N 119.49 8.368 L99H-N 122.864 8.112 K100H-N 119.728 8.312 E101H-N 120.694 8.381 E102H-N 120.737 8.268 S103H-N 115.966 8.354 S104H-N 117.717 8.483 T105H-N 115.312 7.978 D106H-N 122.506 8.075