Assignment w1 w2 S4H-N 118.024 8.192 I5H-N 122.31 7.959 F6H-N 124.528 8.185 T7H-N 119.971 7.95 T9H-N 112.912 7.978 N10H-N 120.503 8.187 Q11H-N 120.365 8.099 Q11HE21-NE2 112.67 7.377 Q11HE22-NE2 112.67 6.722 I12H-N 122.482 7.971 R13H-N 126.172 8.318 L14H-N 124.429 8.182 T15H-N 113.64 7.994 N16H-N 121.159 8.513 N16HD21-ND2 113.183 6.87 N16HD22-ND2 113.183 7.495 V17H-N 118.829 7.775 A18H-N 129.053 8.509 V19H-N 125.002 8.613 V20H-N 126.934 7.867 R21H-N 126.124 8.404 M22H-N 125.86 9.548 K23H-N 126.811 8.658 R24H-N 125.876 8.826 A25H-N 129.224 9.202 G26H-N 104.242 8.525 K27H-N 122.168 7.795 R28H-N 121.223 7.592 F29H-N 120.163 8.37 E30H-N 119.687 9.419 I31H-N 112.188 8.348 A32H-N 124.375 9.381 C33H-N 119.783 8.624 Y34H-N 123.411 8.628 N36H-N 115.038 8.877 K37H-N 117.26 7.758 V39H-N 120.092 8.298 G40H-N 109.475 7.911 W41H-N 124.342 8.101 W41HE1-NE1 129.878 10.008 S43H-N 112.219 8.097 G44H-N 110.021 7.309 V45H-N 117.787 7.6 E46H-N 120.666 6.928 K47H-N 122.171 8.205 D48H-N 122.638 8.863 L49H-N 128.717 8.814 D50H-N 116.529 8.354 E51H-N 115.874 7.537 V52H-N 117.376 7.34 L53H-N 119.674 7.838 Q54H-N 121.399 8.841 T55H-N 109.403 7.123 H56H-N 126.823 8.924 S57H-N 113.837 7.391 V58H-N 122.445 7.875 F59H-N 125.3 9.239 V60H-N 116.863 8.56 N61H-N 114.949 6.861 N61HD21-ND2 112.842 7.545 N61HD22-ND2 112.842 6.965 V62H-N 129.299 9.562 S63H-N 117.663 8.387 K64H-N 117.543 6.988 G65H-N 111.041 7.918 Q66H-N 118.453 7.708 Q66HE21-NE2 110.654 7.364 Q66HE22-NE2 110.654 6.693 V67H-N 129.704 8.772 A68H-N 126.855 8.578 K69H-N 122.179 8.911 K70H-N 125.877 8.877 E71H-N 115.987 9.523 D72H-N 119.875 7.014 L73H-N 120.518 7.69 I74H-N 119.034 8.121 S75H-N 115.531 7.751 A76H-N 120.233 7.631 F77H-N 112.468 8.664 G78H-N 109.978 8.143 T79H-N 112.728 7.169 D80H-N 119.983 7.616 D81H-N 121.786 8.061 Q82H-N 126.78 8.455 Q82HE21-NE2 111.187 7.373 Q82HE22-NE2 111.187 6.632 T83H-N 118.195 8.037 E84H-N 121.416 7.397 I85H-N 120.482 7.699 C86H-N 118.335 8.416 K87H-N 117.138 7.545 Q88H-N 121.004 7.596 Q88HE21-NE2 111.584 7.484 Q88HE22-NE2 111.584 6.952 I89H-N 120.936 8.256 L90H-N 120.531 8.447 T91H-N 113.02 7.555 K92H-N 117.628 8.013 G93H-N 109.511 8.654 E94H-N 119.412 8.938 V95H-N 129.872 8.979 Q96H-N 127.833 8.801 V97H-N 123.849 8.323 S98H-N 120.927 8.534 D99H-N 122.989 8.531 K100H-N 120.708 8.155 E101H-N 120.953 7.956 R102H-N 121.556 8.166 T104H-N 115.478 8.105 Q105H-N 122.328 8.213 Q108H-N 120.404 7.998 M109H-N 119.394 8.133 F110H-N 120.315 8.103 R111H-N 118.131 7.555 D112H-N 124.506 8.878 I113H-N 121.547 8.284 A114H-N 120.923 7.758 T115H-N 113.803 8.123 I116H-N 122.157 7.362 V117H-N 117.983 7.814 A118H-N 118.714 8.294 D119H-N 116.543 8.076 K120H-N 114.691 7.539 C121H-N 113.899 7.196 V122H-N 113.386 8.872 N123H-N 121.576 7.684 E125H-N 117.986 8.171 T126H-N 106.69 6.793 K127H-N 115.76 8.195 R128H-N 114.157 7.073 Y130H-N 121.201 9.677 T131H-N 107.656 7.122 V132H-N 121.752 8.612 I133H-N 117.684 7.425 L134H-N 122.034 7.278 I135H-N 120.168 7.726 E136H-N 121.528 8.997 R137H-N 118.128 7.679 A138H-N 123.615 7.879 M139H-N 117.291 8.651 K140H-N 121.505 8.051 D141H-N 123.066 8.234 I142H-N 109.357 7.215 H143H-N 118.983 7.796 Y144H-N 119.197 7.997 S145H-N 124.066 7.317 V146H-N 123.881 8.206 K147H-N 125.303 8.21 T148H-N 111.61 8.5 N149H-N 117.194 8.022 N149HD21-ND2 111.997 7.481 N149HD22-ND2 111.997 6.656 K150H-N 117.814 6.884 S151H-N 120.636 8.946 T152H-N 116.769 9.032 K153H-N 121.012 7.81 Q154H-N 118.4 7.692 Q155H-N 117.472 7.956 A156H-N 121.762 8.298 L157H-N 115.335 7.214 E158H-N 120.303 7.249 V159H-N 121.277 8.352 I160H-N 120.233 8.008 K161H-N 116.368 7.024 Q162H-N 117.159 7.6 Q162HE21-NE2 110.78 7.471 Q162HE22-NE2 110.78 6.773 L163H-N 120.595 8.964 K164H-N 118.85 7.758 E165H-N 114.613 7.06 K166H-N 116.129 7.674 M167H-N 118.704 8.3 K168H-N 118.315 8.279 I169H-N 127.686 8.326 E170H-N 123.137 8.222 R171H-N 126.671 9.024 A172H-N 127.857 7.809 H173H-N 113.591 8.245 M174H-N 118.222 8.654 R175H-N 125.529 8.592 L176H-N 127.576 9.033 R177H-N 119.316 8.711 F178H-N 126.252 9.515 I179H-N 122.799 8.345 L180H-N 124.832 9.121 V182H-N 122.926 8.533 N183H-N 118.777 8.619 E184H-N 118.895 8.276 G185H-N 108.252 8.109 K186H-N 121.099 8.095 K187H-N 118.527 7.438 L188H-N 120.292 7.911 K189H-N 119.093 8.204 E190H-N 115.726 7.301 K191H-N 118.049 7.275 L192H-N 115.755 7.781 K193H-N 118.71 7.33 L195H-N 116.993 7.802 I196H-N 116.877 7.205 K197H-N 125.28 8.256 V198H-N 115.62 7.133 I199H-N 127.811 8.809 E200H-N 129.658 8.99 S201H-N 111.347 7.824 E202H-N 122.132 8.19 D203H-N 124.694 8.658 Y204H-N 125.895 8.897 G205H-N 115.141 7.653 Q206H-N 128.201 8.75 Q206HE21-NE2 112.85 7.459 Q206HE22-NE2 112.85 6.742 Q207H-N 113.837 7.905 L208H-N 124.264 8.95 E209H-N 126.824 8.494 I210H-N 127.469 8.685 V211H-N 127.443 8.352 C212H-N 122.454 9.185 L213H-N 118.015 8.528 I214H-N 113.221 8.715 D215H-N 123.845 9.338 G217H-N 103.529 9.073 C218H-N 117.552 8.138 F219H-N 120.651 7.867 R220H-N 118.447 8.732 E221H-N 119.361 8.356 I222H-N 120.304 7.579 D223H-N 119.917 8.023 E224H-N 116.591 7.891 L225H-N 121.975 7.991 I226H-N 117.997 8.24 K227H-N 122.333 7.75 K228H-N 118.776 8.182 E229H-N 116.277 8.647 T230H-N 103.842 7.462 K231H-N 122.143 7.792 G232H-N 104.349 8.22 K233H-N 118.25 7.55 G234H-N 105.073 8.129 S235H-N 114.844 8.759 L236H-N 122.377 8.318 E237H-N 124.654 8.92 V238H-N 125.389 8.892 L239H-N 129.322 9.081 N240H-N 111.028 7.605 N240HD21-ND2 112.892 7.452 N240HD22-ND2 112.892 6.748 L241H-N 117.125 8.259 K242H-N 123.337 8.597 D243H-N 126.273 8.466 V244H-N 121.148 8.025 E245H-N 126.819 8.587 E246H-N 123.127 8.407 G247H-N 109.963 8.418 D248H-N 120.708 7.964 E249H-N 120.922 8.182 K250H-N 121.703 7.988 F251H-N 121.809 8.246 E252H-N 126.235 7.706