Assignment w1 w2 V3H-N 122.421 6.335 K4H-N 125.111 8.454 L5H-N 128.081 8.774 Q6H-N 122.549 8.99 Q7H-N 128.443 10.03 S8H-N 114.194 8.808 G9H-N 109.29 8.091 S11H-N 109.503 8.0 L12H-N 124.201 7.522 V13H-N 122.508 8.304 K14H-N 124.374 8.069 S16H-N 116.842 9.529 Q17H-N 121.446 7.671 Q17HE21-NE2 112.694 6.874 Q17HE22-NE2 112.694 7.454 T18H-N 114.78 8.094 L19H-N 130.128 8.825 S20H-N 122.078 7.922 L21H-N 124.684 8.783 T22H-N 116.445 8.554 C23H-N 127.787 9.056 S24H-N 123.735 9.09 V25H-N 128.317 8.102 T26H-N 122.571 9.03 D28H-N 115.281 7.471 S29H-N 115.422 9.382 I30H-N 119.519 8.47 T31H-N 109.031 7.662 S32H-N 117.111 7.919 G33H-N 113.323 8.635 Y34H-N 118.053 7.893 W35H-N 117.787 7.722 W35HE1-NE1 128.752 9.684 N36H-N 119.648 8.777 W37H-N 114.783 8.513 W37HE1-NE1 125.886 7.846 I38H-N 123.138 9.746 R39H-N 121.573 9.197 K40H-N 122.642 9.168 F41H-N 129.524 8.871 N44H-N 114.793 8.287 N44HD21-ND2 113.537 6.844 N44HD22-ND2 113.537 7.704 K45H-N 118.143 7.315 F46H-N 122.133 9.067 E47H-N 122.382 9.63 Y48H-N 131.583 9.903 L49H-N 126.869 7.986 G50H-N 103.128 7.276 Y51H-N 112.477 9.204 I52H-N 117.456 9.647 S53H-N 122.279 9.146 Y54H-N 120.891 7.81 G56H-N 111.281 8.177 R57H-N 120.972 7.237 T58H-N 112.928 8.105 Y59H-N 121.576 7.91 Y60H-N 123.35 7.11 N61H-N 121.413 8.281 S63H-N 114.018 8.385 L64H-N 121.07 7.654 K65H-N 117.332 7.459 R67H-N 117.542 7.973 I68H-N 115.366 6.903 S69H-N 116.443 8.325 I70H-N 125.676 8.611 T71H-N 115.507 8.061 R72H-N 114.118 9.086 D73H-N 118.959 8.709 S75H-N 120.734 8.57 K76H-N 119.093 7.417 N77H-N 122.05 8.044 N77HD21-ND2 115.075 7.573 N77HD22-ND2 115.075 7.659 Q78H-N 112.707 7.339 Y79H-N 117.139 8.654 Y80H-N 117.267 8.971 L81H-N 122.684 8.107 Q82H-N 124.94 8.63 Q82HE21-NE2 111.599 6.582 Q82HE22-NE2 111.599 7.373 L83H-N 126.249 8.802 N84H-N 122.61 8.713 N84HD21-ND2 111.939 6.724 N84HD22-ND2 111.939 7.253 S85H-N 113.162 8.491 V86H-N 112.295 7.909 T87H-N 112.908 9.182 T88H-N 113.523 8.671 E89H-N 119.783 8.036 D90H-N 115.488 8.325 T91H-N 121.875 7.613 A92H-N 126.792 8.619 T93H-N 115.18 8.461 Y94H-N 127.104 9.081 Y95H-N 122.836 10.268 C96H-N 116.95 7.422 S97H-N 117.289 7.751 R98H-N 119.479 8.295 Y100H-N 126.015 8.584 Y101H-N 131.826 8.861 R102H-N 118.469 4.114 Y103H-N 117.794 6.409 D104H-N 114.453 7.266 Y105H-N 102.386 7.123 A106H-N 120.73 6.619 I107H-N 121.45 8.006 D108H-N 124.813 8.811 Y109H-N 121.197 7.682 W110H-N 121.369 8.936 W110HE1-NE1 125.778 8.372 G111H-N 110.855 9.525 Q112H-N 116.919 8.505 Q112HE21-NE2 110.454 7.275 Q112HE22-NE2 110.454 7.617 G113H-N 108.473 7.339 T114H-N 119.171 8.229 V116H-N 130.044 8.825 T117H-N 123.242 8.456 V118H-N 127.784 8.14 G119H-N 113.377 8.301 E121H-N 119.717 8.345 E122H-N 120.904 8.533 Q123H-N 119.537 8.16 Y124H-N 120.781 8.053 S125H-N 117.107 7.991 A126H-N 125.519 8.058 Y127H-N 118.277 7.844 A128H-N 124.725 7.961 T129H-N 113.065 8.063 T130H-N 115.485 8.053 G131H-N 111.01 8.329 A132H-N 123.715 8.107 T133H-N 112.801 8.036 A134H-N 126.422 8.211 G135H-N 108.325 8.269 A136H-N 123.654 8.068 G137H-N 108.196 8.36 Q138H-N 119.622 8.082 S139H-N 117.473 8.291 W140H-N 123.456 8.217 W140HE1-NE1 129.809 10.167 Y141H-N 122.339 8.092 G142H-N 108.422 7.124 E143H-N 120.53 8.208 E145H-N 130.152 8.602 L146H-N 128.032 9.13 T147H-N 118.838 9.475 Q148H-N 128.041 9.758 S149H-N 117.301 8.271 A151H-N 124.33 8.95 I152H-N 116.308 7.712 M153H-N 124.711 9.183 S154H-N 117.863 8.486 A155H-N 125.628 8.509 S156H-N 117.753 8.727 L157H-N 121.016 8.319 G158H-N 111.567 9.482 E159H-N 120.819 7.679 Q160H-N 121.904 8.24 Q160HE21-NE2 111.309 6.646 Q160HE22-NE2 111.309 7.197 V161H-N 125.104 8.423 T162H-N 121.231 8.249 M163H-N 125.154 9.03 T164H-N 112.062 8.969 C165H-N 127.588 9.561 T166H-N 123.632 9.362 A167H-N 129.394 9.34 S168H-N 114.948 8.744 S169H-N 114.236 7.422 S170H-N 113.56 8.023 V171H-N 123.175 8.148 S172H-N 120.292 6.748 S173H-N 122.297 8.46 S174H-N 117.207 7.818 Y175H-N 115.938 7.634 L176H-N 123.543 6.163 H177H-N 123.364 8.395 W178H-N 115.371 9.506 W178HE1-NE1 130.469 10.287 Y179H-N 118.433 9.863 Q180H-N 122.357 9.156 Q180HE21-NE2 111.947 6.386 Q180HE22-NE2 111.947 6.686 Q181H-N 128.633 9.453 K182H-N 131.166 8.663 S185H-N 113.931 7.875 K188H-N 117.934 8.498 L189H-N 127.868 9.271 W190H-N 133.168 9.142 W190HE1-NE1 121.894 5.388 I191H-N 116.426 7.955 Y192H-N 121.713 9.106 S193H-N 122.423 11.656 T194H-N 111.671 9.254 S195H-N 116.382 8.982 N196H-N 119.566 7.577 N196HD21-ND2 115.949 6.29 N196HD22-ND2 115.949 7.168 L197H-N 124.413 8.33 A198H-N 124.571 7.734 S199H-N 114.373 8.137 V201H-N 125.055 7.228 A203H-N 120.223 8.178 F205H-N 120.728 7.869 S206H-N 112.135 8.794 S207H-N 115.819 8.431 S208H-N 115.329 8.456 G209H-N 108.837 8.104 S210H-N 109.305 7.153 G211H-N 111.066 8.643 T212H-N 116.37 8.461 S213H-N 116.195 7.648 Y214H-N 125.875 8.779 S215H-N 115.794 9.257 L216H-N 125.975 8.443 T217H-N 122.309 9.08 I218H-N 125.519 8.952 S219H-N 122.42 8.969 R220H-N 117.921 6.202 M221H-N 123.705 8.483 E222H-N 128.427 8.986 A223H-N 125.026 9.164 E224H-N 113.503 8.708 D225H-N 120.68 8.043 A226H-N 123.527 7.188 A227H-N 126.85 8.294 T228H-N 114.123 7.922 Y229H-N 125.063 8.727 Y230H-N 122.269 9.677 C231H-N 115.641 7.524 Q232H-N 123.385 8.705 Q233H-N 119.832 8.374 S234H-N 116.036 9.298 W235H-N 124.16 8.424 W235HE1-NE1 129.871 10.076 K236H-N 119.811 8.993 A237H-N 128.369 7.91 T240H-N 109.189 7.16 F241H-N 117.572 8.797 G242H-N 108.762 9.213 G243H-N 104.129 8.057 G244H-N 107.422 7.6 T245H-N 118.882 8.161 K246H-N 130.479 8.618 L247H-N 130.562 8.983 E248H-N 126.149 8.973 I249H-N 119.84 8.354 A250H-N 131.694 8.354 A251H-N 124.989 8.221 A252H-N 123.533 8.179 L253H-N 121.49 8.126 E254H-N 121.027 8.264 L12H-N 124.508 7.507 V13H-N 121.592 8.285 K14H-N 124.049 8.151 S16H-N 116.468 9.459 T18H-N 114.58 8.06 V86H-N 111.971 7.894 T87H-N 112.783 9.199 T88H-N 113.603 8.767 E89H-N 119.965 8.076 T117H-N 123.511 8.45 V118H-N 127.954 8.113 G119H-N 114.047 8.503 E121H-N 121.127 8.659 E122H-N 122.551 8.596 Q123H-N 120.514 8.288 Y124H-N 120.757 8.127 S125H-N 117.391 8.091 A126H-N 125.765 8.134 Y127H-N 118.162 7.868 W140H-N 123.251 8.162 Y141H-N 122.198 8.047 G142H-N 108.411 7.155