Assignment w1 w2 A3H-N 125.94 8.433 A4H-N 123.556 8.263 D5H-N 120.523 8.261 L6H-N 121.097 8.283 E7H-N 121.518 9.137 L8H-N 117.214 8.295 E9H-N 120.924 8.667 R10H-N 132.313 9.451 A11H-N 126.988 9.053 A12H-N 116.145 7.662 D13H-N 119.698 8.554 V14H-N 121.604 8.957 K15H-N 124.201 6.963 W16H-N 123.0 8.82 W16HE1-NE1 129.814 10.04 E17H-N 132.074 9.214 D18H-N 126.592 8.734 Q19H-N 117.887 8.751 Q19HE21-NE2 112.034 6.822 Q19HE22-NE2 112.034 7.562 A20H-N 123.133 7.358 E21H-N 121.158 8.068 I22H-N 123.532 8.253 S23H-N 120.415 8.826 G24H-N 109.637 8.344 S25H-N 114.322 7.512 S26H-N 112.681 8.39 I28H-N 117.805 8.068 L29H-N 126.813 8.74 S30H-N 118.818 8.92 I31H-N 119.416 8.291 T32H-N 115.858 8.908 I33H-N 124.516 8.623 S34H-N 123.627 8.832 E35H-N 119.589 8.838 D36H-N 114.406 7.709 G37H-N 107.447 8.064 S38H-N 116.895 8.033 M39H-N 125.939 9.17 S40H-N 114.565 8.443 I41H-N 124.144 8.91 K42H-N 129.562 8.661 E47H-N 122.151 8.471 Q48H-N 121.644 8.486 T49H-N 115.991 8.271 L50H-N 124.864 8.387 G51H-N 109.791 8.442 S55H-N 115.566 8.364 G56H-N 110.809 8.533 E60H-N 121.154 8.309 F61H-N 120.679 8.336 A62H-N 126.042 8.117 G63H-N 107.177 7.633 V64H-N 119.038 7.828 L65H-N 125.286 8.108 W66H-N 121.659 7.952 W66HE1-NE1 128.987 10.042 D67H-N 121.666 8.266 V68H-N 121.036 7.954 S70H-N 117.42 8.402 V74H-N 119.837 8.187 G75H-N 112.072 8.43 K76H-N 121.004 8.207 A77H-N 124.982 8.431 D81H-N 119.416 7.783 G82H-N 107.56 8.798 A83H-N 122.533 9.377 Y84H-N 122.717 9.506 R85H-N 116.594 9.17 I86H-N 121.076 8.816 K87H-N 126.301 9.562 Q88H-N 121.343 9.18 Q88HE21-NE2 110.94 7.481 Q88HE22-NE2 110.94 6.757 K89H-N 131.18 9.184 G90H-N 115.574 7.976 I91H-N 120.578 8.412 L92H-N 118.69 8.3 G93H-N 107.203 7.405 Y94H-N 120.715 8.964 S95H-N 115.389 8.603 Q96H-N 125.159 9.368 I97H-N 119.92 8.646 G98H-N 107.772 7.696 A99H-N 123.594 9.138 G100H-N 104.159 8.789 V101H-N 115.725 8.39 Y102H-N 134.432 10.09 K103H-N 127.768 8.975 E104H-N 126.073 9.303 G105H-N 104.651 8.586 T106H-N 117.019 7.478 F107H-N 126.127 9.007 H108H-N 126.799 7.972 T109H-N 116.641 8.946 M110H-N 116.709 8.638 W111H-N 125.294 7.426 W111HE1-NE1 128.691 10.239 H112H-N 111.409 9.145 V113H-N 119.2 7.044 T114H-N 100.665 6.258 R115H-N 120.963 8.904 G116H-N 100.91 6.809 A117H-N 120.615 7.333 V118H-N 120.31 8.421 L119H-N 122.335 7.921 M120H-N 116.682 8.26 H121H-N 119.848 8.821 K122H-N 128.348 9.511 G123H-N 104.334 8.78 K124H-N 121.861 7.884 R125H-N 123.381 8.408 I126H-N 125.675 9.392 E127H-N 125.106 8.656 W130H-N 123.643 7.872 W130HE1-NE1 129.868 10.132 A131H-N 125.303 7.125 D132H-N 117.019 7.478 V133H-N 125.305 8.319 K134H-N 120.649 7.707 K135H-N 115.496 7.589 D136H-N 116.809 7.989 L137H-N 117.085 7.761 I138H-N 117.92 8.631 S139H-N 120.911 10.014 Y140H-N 120.343 9.434 G141H-N 112.307 8.438 G142H-N 107.578 7.476 G143H-N 105.755 8.367 W144H-N 119.398 8.013 W144HE1-NE1 130.779 10.655 K145H-N 127.239 11.388 L146H-N 117.331 5.842 E147H-N 120.679 9.137 G148H-N 108.928 7.737 E149H-N 125.431 8.778 W150H-N 129.539 9.492 W150HE1-NE1 131.33 10.663 K151H-N 130.08 7.342 E152H-N 121.134 7.52 G153H-N 112.956 7.877 E154H-N 119.757 7.888 V156H-N 109.669 8.815 Q157H-N 116.392 9.084 V158H-N 121.041 8.896 L159H-N 131.624 8.28 A160H-N 123.063 7.798 L161H-N 129.664 7.838 E162H-N 120.301 7.987 G164H-N 111.39 8.89 K165H-N 118.153 7.748 N166H-N 120.27 8.753 N166HD21-ND2 112.854 7.068 N166HD22-ND2 112.854 7.71 R168H-N 122.982 7.881 A169H-N 126.914 8.492 V170H-N 122.053 8.449 Q171H-N 129.88 9.37 T172H-N 117.396 9.106 K173H-N 127.433 7.956 G175H-N 107.331 8.669 L176H-N 117.403 8.561 F177H-N 119.142 9.447 K178H-N 122.467 9.252 T179H-N 115.155 8.049 A181H-N 122.05 8.341 G182H-N 107.872 7.488 T183H-N 116.595 8.703 I184H-N 123.398 9.096 G185H-N 111.487 9.11 A186H-N 123.555 7.027 V187H-N 116.461 9.219 S188H-N 127.219 9.724 L189H-N 118.748 6.944 D190H-N 125.657 8.769 F191H-N 122.948 7.378 S192H-N 114.285 9.366 T195H-N 119.714 12.2 S196H-N 130.63 13.087 G197H-N 112.205 10.195 S198H-N 115.961 8.504 I200H-N 119.711 8.4 I201H-N 125.963 9.846 D202H-N 122.065 8.865 K203H-N 115.843 7.98 K204H-N 118.16 7.784 G205H-N 109.443 8.726 K206H-N 119.625 8.51 V207H-N 123.12 9.106 V208H-N 120.501 9.038 G209H-N 104.406 7.552 L210H-N 116.749 9.315 Y211H-N 121.034 8.805 G212H-N 112.831 8.115 N213H-N 122.619 9.511 G214H-N 112.816 7.869 V215H-N 111.633 8.41 V216H-N 118.114 7.798 T217H-N 117.85 8.992 S219H-N 111.213 7.938 G220H-N 110.719 8.123 A221H-N 123.931 7.268 Y222H-N 122.796 8.162 V223H-N 125.985 7.957 S224H-N 117.035 8.507 A225H-N 129.675 9.539 I226H-N 122.435 7.868 A227H-N 130.323 7.464 Q228H-N 124.539 8.308 T229H-N 118.345 8.04 E230H-N 121.363 7.787 K231H-N 122.827 8.34 S232H-N 120.023 8.784 I233H-N 123.262 8.299 E234H-N 124.479 8.386 D235H-N 121.753 8.365 N236H-N 119.728 8.412 E238H-N 120.296 8.4 I239H-N 121.545 8.029 E240H-N 129.794 7.995