Assignment w1 w2 A2H-N 122.445 8.545 S3H-N 115.544 8.009 N4H-N 123.103 7.965 N4HD21-ND2 114.184 7.22 N4HD22-ND2 114.184 7.131 A5H-N 122.314 8.721 A6H-N 117.886 7.891 R7H-N 120.992 7.503 V8H-N 123.707 8.176 V9H-N 119.893 8.329 A10H-N 122.541 7.802 T11H-N 116.946 8.187 A12H-N 125.357 8.641 K13H-N 117.246 7.961 D14H-N 122.162 7.702 F15H-N 119.552 7.97 D16H-N 121.464 8.259 K17H-N 118.806 7.842 V18H-N 110.416 7.198 G19H-N 109.008 7.731 L20H-N 125.244 8.102 G21H-N 108.031 8.046 I22H-N 121.173 8.395 I23H-N 120.647 6.824 G24H-N 103.326 7.412 Y25H-N 124.188 7.861 Y26H-N 117.39 7.594 L27H-N 118.536 8.226 Q28H-N 119.11 8.007 L29H-N 121.623 7.938 Y30H-N 120.084 7.974 A31H-N 121.802 8.504 V32H-N 116.528 8.027 E33H-N 118.609 7.299 L34H-N 120.831 8.168 I35H-N 120.733 8.064 L36H-N 115.519 8.37 S37H-N 113.976 7.523 E38H-N 123.219 7.185 E39H-N 126.955 8.632 D40H-N 119.763 8.56 R41H-N 119.595 7.443 S42H-N 119.463 8.556 Q43H-N 122.535 9.087 Q43HE21-NE2 112.304 7.506 Q43HE22-NE2 112.304 6.831 E44H-N 120.308 8.958 M45H-N 120.968 7.74 T46H-N 120.159 8.19 A47H-N 124.729 8.292 L48H-N 122.244 7.723 A49H-N 120.883 8.21 T50H-N 113.676 7.891 E51H-N 123.445 7.877 L52H-N 121.629 8.67 L53H-N 119.996 8.336 D54H-N 120.632 7.884 T55H-N 121.006 8.279 I56H-N 125.465 8.872 E57H-N 119.951 8.024 A58H-N 122.402 8.026 F59H-N 122.034 8.243 K60H-N 117.415 7.978 K61H-N 119.54 7.853 E62H-N 121.166 7.956 I63H-N 117.896 7.652 G64H-N 108.028 7.654 G65H-N 108.488 7.817 E66H-N 121.078 8.195 S67H-N 116.37 8.205 E68H-N 122.388 8.17 A69H-N 124.265 7.931 E70H-N 121.086 8.447 D71H-N 120.21 8.308 S72H-N 116.137 7.954 D73H-N 122.5 8.384 K74H-N 123.374 8.338 S75H-N 116.404 8.409 L76H-N 123.753 8.068 H77H-N 120.235 7.955 V78H-N 121.721 7.953 M79H-N 119.138 8.132 N80H-N 117.0 8.195 T81H-N 116.021 7.952 L82H-N 119.041 7.655 I83H-N 118.063 7.455 H84H-N 116.118 7.168 D85H-N 122.411 8.576 Q86H-N 122.561 8.715 Q86HE21-NE2 114.38 6.788 Q86HE22-NE2 114.38 7.194 E87H-N 121.616 8.073 K88H-N 119.006 7.525 A89H-N 121.945 8.472 K90H-N 117.743 6.684 I91H-N 117.216 7.196 Y92H-N 122.201 8.466 M93H-N 117.42 8.269 L94H-N 125.183 8.733 N95H-N 121.517 8.951 F96H-N 122.778 8.454 T97H-N 117.115 8.209 M98H-N 119.373 8.958 S99H-N 114.517 7.708 L100H-N 125.126 7.277 Y101H-N 120.94 8.858 N102H-N 119.067 8.7 E103H-N 119.558 7.599 K104H-N 120.218 8.311 L105H-N 122.11 8.604 K106H-N 119.031 7.339 Q107H-N 121.417 7.59 L108H-N 120.629 8.45 K109H-N 119.584 7.295 D110H-N 116.95 7.807 G111H-N 114.046 8.554 W113H-N 123.139 8.671 W113HE1-NE1 131.204 10.348 D114H-N 121.44 6.95 V115H-N 118.386 8.181 M116H-N 120.354 7.661 L117H-N 125.774 8.179 K118H-N 118.471 7.359 R119H-N 117.838 8.316 S120H-N 117.258 8.598 L121H-N 125.307 8.25 W122H-N 120.444 7.873 W122HE1-NE1 129.163 10.349 C123H-N 120.188 8.271 C124H-N 116.76 8.208 I125H-N 121.167 8.073 D126H-N 124.812 8.778 L127H-N 122.531 8.888 F128H-N 117.44 8.956 S129H-N 115.372 8.454 C130H-N 125.612 8.217 I131H-N 120.29 7.894 L132H-N 116.603 7.863 H133H-N 116.971 7.816 L134H-N 117.079 8.593 W135H-N 115.55 7.727 W135HE1-NE1 130.711 10.092 K136H-N 119.841 6.58 E137H-N 115.25 8.549 N138H-N 116.578 8.337 N138HD21-ND2 111.99 7.654 N138HD22-ND2 111.99 6.907 I139H-N 120.835 7.138 S140H-N 123.319 8.714 T142H-N 113.59 8.265 S143H-N 120.935 7.889 T144H-N 121.291 8.802 N145H-N 120.336 7.942 N145HD21-ND2 112.488 7.014 N145HD22-ND2 112.488 7.603 S146H-N 116.106 7.865 L147H-N 122.988 8.104 Q148H-N 118.47 8.394 Q148HE21-NE2 110.402 7.132 Q148HE22-NE2 110.402 6.672 K149H-N 121.079 7.828 R150H-N 118.275 6.918 I151H-N 119.938 7.339 K152H-N 120.529 7.556 Y153H-N 118.819 8.622 C154H-N 116.613 8.195 K155H-N 118.011 7.819 I156H-N 121.133 8.663 Y157H-N 119.541 8.623 L158H-N 122.643 8.415 S159H-N 115.738 8.012 K160H-N 118.015 8.306 A162H-N 123.634 8.134 K163H-N 115.135 7.709 G164H-N 108.439 7.713 E165H-N 119.259 8.124 I166H-N 117.562 7.039 G167H-N 119.412 7.365 I1H-N 121.311 7.469 N2H-N 122.727 8.173 N2HD21-ND2 113.274 7.675 N2HD22-ND2 113.274 6.827 I3H-N 120.527 8.096 D4H-N 122.165 8.157 K5H-N 119.537 8.023 L6H-N 120.242 8.024 Q7H-N 117.985 8.536 Q7HE21-NE2 111.367 7.186 Q7HE22-NE2 111.367 6.707 L14H-N 120.61 8.333 D15H-N 121.268 8.199 L16H-N 120.218 7.858 I17H-N 121.582 7.948 E18H-N 120.974 7.869 Q19H-N 118.52 8.407 Q19HE21-NE2 112.963 7.467 Q19HE22-NE2 112.963 6.751 G20H-N 108.998 8.059 D21H-N 124.022 8.522 E22H-N 121.333 7.768 L23H-N 120.82 8.113 Q24H-N 118.698 8.282 Q24HE21-NE2 114.779 7.718 Q24HE22-NE2 114.779 6.79 E25H-N 120.75 7.499 V26H-N 120.317 7.763 L27H-N 121.374 7.731 A28H-N 121.695 7.896 M29H-N 117.652 7.778 N30H-N 117.853 8.009 N30HD21-ND2 113.293 7.626 N30HD22-ND2 113.293 6.958 N31H-N 117.684 7.951 N31HD21-ND2 113.775 7.55 N31HD22-ND2 113.775 7.032 N32H-N 119.399 8.319 N32HD21-ND2 113.467 7.563 N32HD22-ND2 113.467 6.827 S33H-N 115.453 8.297 G34H-N 110.851 8.328 E35H-N 120.859 8.244 L36H-N 124.226 8.337 D37H-N 116.994 8.188 D38H-N 118.967 7.701 I39H-N 122.002 7.388 S40H-N 123.873 8.626 D41H-N 126.917 8.665 A42H-N 120.624 8.228 E43H-N 119.725 7.68 L44H-N 123.199 7.916 D45H-N 119.475 8.547 A46H-N 121.999 7.583 E47H-N 121.181 7.918 L48H-N 121.293 8.39 D49H-N 120.996 8.305 A50H-N 121.256 7.447 L51H-N 119.836 7.882 A52H-N 122.986 8.292 Q53H-N 117.68 7.768 Q53HE21-NE2 113.371 7.461 Q53HE22-NE2 113.371 6.666 E54H-N 120.662 7.869 D55H-N 120.362 8.049 F56H-N 120.873 7.949 T57H-N 116.419 7.97 L58H-N 127.234 8.093