Assignment w1 w2 Q4H-N 119.16 8.326 Q5H-N 120.149 8.183 I6H-N 124.591 8.422 E9H-N 118.142 9.56 V10H-N 118.701 7.335 S11H-N 113.882 8.194 S12H-N 117.07 8.488 Q13H-N 119.78 7.368 Q13HE21-NE2 110.593 7.381 Q13HE22-NE2 110.593 6.672 I14H-N 118.048 7.753 T15H-N 113.005 8.907 D16H-N 126.011 8.746 A17H-N 122.288 7.378 L18H-N 118.759 8.457 T19H-N 116.363 8.354 Q20H-N 119.905 8.002 Q20HE21-NE2 114.282 7.817 Q20HE22-NE2 114.282 6.737 G21H-N 105.664 7.933 L22H-N 123.1 8.221 L23H-N 120.601 8.071 D24H-N 121.744 9.014 G25H-N 104.85 7.617 N26H-N 116.778 8.057 N26HD21-ND2 112.478 6.835 N26HD22-ND2 112.478 7.522 F27H-N 119.821 8.333 L28H-N 114.512 8.819 S29H-N 115.466 7.687 L30H-N 123.501 7.765 L31H-N 118.009 7.281 N32H-N 113.461 7.497 A33H-N 120.331 7.315 I34H-N 120.65 7.006 N35H-N 125.519 8.574 L36H-N 127.17 8.913 E37H-N 120.826 8.286 G38H-N 107.972 8.354 L39H-N 125.274 7.547 L40H-N 118.836 8.012 N41H-N 116.213 8.203 N41HD21-ND2 111.889 7.445 N41HD22-ND2 111.889 6.884 T42H-N 117.866 8.147 I43H-N 121.042 8.172 L44H-N 119.85 8.917 D45H-N 120.58 8.291 Q46H-N 116.539 7.826 Q46HE21-NE2 110.852 7.235 Q46HE22-NE2 110.852 6.693 V47H-N 116.307 8.891 T48H-N 115.569 8.219 G49H-N 107.608 7.778 L50H-N 121.06 7.464 L51H-N 117.22 8.069 N52H-N 117.74 8.154 I53H-N 116.681 7.418 L54H-N 122.042 7.975 V55H-N 117.013 8.239 G56H-N 111.181 7.873 L58H-N 121.992 8.13 L59H-N 123.246 8.087 G60H-N 109.294 8.151 D63H-N 121.587 7.997 A64H-N 122.658 7.902 E65H-N 119.115 8.747 I66H-N 121.255 8.379 K67H-N 123.54 8.872 L68H-N 123.601 8.783 Q69H-N 122.285 8.989 Q69HE21-NE2 109.776 6.47 Q69HE22-NE2 109.776 7.149 D70H-N 116.91 8.258 T71H-N 110.817 7.848 R72H-N 122.251 9.081 L73H-N 123.515 8.386 L74H-N 125.433 8.13 Q75H-N 116.916 7.462 Q75HE21-NE2 112.861 6.828 Q75HE22-NE2 112.861 7.636 L76H-N 127.017 8.193 S77H-N 112.46 8.624 L78H-N 119.851 8.371 E79H-N 119.729 8.974 F80H-N 120.97 8.935 S81H-N 118.425 8.241 D83H-N 114.589 7.704 S84H-N 111.469 8.01 G86H-N 106.363 7.552 I87H-N 119.303 8.36 D88H-N 126.503 9.197 I89H-N 121.923 8.956 W90H-N 126.878 8.911 W90HE1-NE1 129.056 10.199 I91H-N 122.758 9.373 L93H-N 121.764 8.996 E94H-N 121.767 8.849 L95H-N 119.191 8.957 S96H-N 114.607 8.432 V97H-N 124.767 9.325 Y98H-N 129.709 9.187 L99H-N 126.858 8.752 K100H-N 129.361 8.808 L101H-N 123.92 8.592 L102H-N 117.208 8.586 I103H-N 113.228 7.553 L104H-N 120.09 7.592 E105H-N 121.567 8.342 L107H-N 121.947 8.361 T108H-N 114.994 8.227 L109H-N 127.393 9.466 Y110H-N 125.311 9.389 V111H-N 126.461 8.613 R112H-N 125.427 8.592 T113H-N 121.602 8.725 D114H-N 127.116 8.374 I115H-N 123.492 8.857 R116H-N 128.317 9.059 V117H-N 128.381 8.966 Q118H-N 125.061 8.217 Q118HE21-NE2 112.673 6.69 Q118HE22-NE2 112.673 8.008 L119H-N 124.637 9.112 R120H-N 121.786 8.966 L121H-N 123.317 8.403 E122H-N 126.194 9.001 S123H-N 115.43 8.434 D124H-N 123.991 8.41 E125H-N 118.685 8.797 D126H-N 118.424 8.162 G127H-N 108.246 8.029 K128H-N 121.244 7.914 Y129H-N 120.461 8.221 R130H-N 118.958 9.05 L131H-N 121.547 8.534 A132H-N 127.732 9.15 F133H-N 123.531 8.757 G134H-N 117.902 8.501 H135H-N 118.052 7.267 C136H-N 124.833 7.698 S137H-N 121.982 8.613 L138H-N 121.876 8.615 L139H-N 121.278 8.882 R141H-N 123.064 8.814 A142H-N 119.844 7.798 I143H-N 121.685 8.269 E144H-N 124.883 9.344 L145H-N 125.704 8.981 Q146H-N 127.45 8.927 Q146HE21-NE2 111.054 6.675 Q146HE22-NE2 111.054 7.188 S147H-N 114.553 8.083 L151H-N 119.566 8.013 V155H-N 115.879 7.147 V158H-N 110.547 7.462 L159H-N 123.466 8.049 G160H-N 105.952 8.572 T161H-N 119.045 7.643 I162H-N 122.652 7.822 E163H-N 119.765 8.863 N164H-N 117.969 8.065 A165H-N 122.2 7.992 L166H-N 119.355 8.676 G167H-N 107.049 8.482 N168H-N 119.574 7.837 N168HD21-ND2 112.578 7.609 N168HD22-ND2 112.578 6.819 F169H-N 121.169 7.972 I170H-N 118.652 8.454 T171H-N 107.997 7.822 E172H-N 119.558 8.398 D173H-N 119.823 8.01 L174H-N 119.204 8.041 G175H-N 105.791 7.545 A176H-N 122.617 7.582 G177H-N 101.436 7.656 L178H-N 118.754 7.912 C179H-N 116.922 8.533 T181H-N 115.165 7.453 L182H-N 122.581 7.614 N183H-N 118.412 7.973 N183HD21-ND2 110.363 6.679 N183HD22-ND2 110.363 6.526 S184H-N 115.385 7.56 L185H-N 121.244 7.951 V186H-N 116.284 8.176 S187H-N 115.156 8.031 N188H-N 117.882 7.304 N188HD21-ND2 113.342 6.771 N188HD22-ND2 113.342 7.552 L189H-N 121.336 7.069 D190H-N 121.805 8.385 L191H-N 125.878 8.408 Q192H-N 117.825 8.611 L193H-N 119.699 7.409 V194H-N 119.239 7.881 N195H-N 117.622 8.451 N195HD21-ND2 111.013 6.776 N195HD22-ND2 111.013 7.398 N196H-N 118.684 7.871 N196HD21-ND2 110.041 7.285 N196HD22-ND2 110.041 6.912 L197H-N 120.576 7.988 I198H-N 119.123 8.405 N199H-N 116.216 7.951 N199HD21-ND2 111.684 7.47 N199HD22-ND2 111.684 6.719 L200H-N 119.945 7.784 I201H-N 118.712 7.853 L202H-N 119.711 8.323 D203H-N 118.409 8.017 R204H-N 119.014 7.528 A205H-N 121.424 7.86 N206H-N 116.262 7.906 V207H-N 119.156 7.68 D208H-N 123.283 8.201 L209H-N 123.124 8.074 S210H-N 117.258 8.284 V211H-N 125.094 7.506