Assignment w1 w2 N1H-N 120.403 8.467 N1HD21-ND2 112.689 7.521 N1HD22-ND2 112.689 6.833 L2H-N 121.8 8.098 S3H-N 116.621 8.26 I4H-N 121.909 8.039 G5H-N 111.693 8.284 D6H-N 120.327 8.099 T7H-N 114.311 8.174 T8H-N 115.841 8.144 S9H-N 117.676 8.144 I10H-N 122.205 7.961 I11H-N 121.603 7.764 Q12H-N 121.21 7.963 Q12HE21-NE2 111.919 7.381 Q12HE22-NE2 111.919 6.785 L13H-N 121.273 7.804 F14H-N 116.64 7.788 K15H-N 121.2 7.842 N16H-N 117.419 8.188 N16HD21-ND2 112.441 7.485 N16HD22-ND2 112.441 6.78 F17H-N 120.22 7.932 T18H-N 116.976 7.89 S22H-N 111.461 8.061 V23H-N 124.109 6.777 A24H-N 121.859 7.249 T25H-N 116.234 8.494 F26H-N 124.89 8.31 I27H-N 119.041 8.595 S28H-N 114.628 8.504 N29H-N 119.63 8.075 N29HD21-ND2 113.204 7.508 N29HD22-ND2 113.204 7.508 F30H-N 120.321 8.887 H31H-N 115.354 8.582 S32H-N 113.86 7.84 I33H-N 122.7 7.87 V34H-N 120.22 7.84 Q35H-N 112.011 7.554 Q35HE21-NE2 111.248 7.151 Q35HE22-NE2 111.248 6.771 S36H-N 111.043 7.197 S37H-N 117.942 7.653 K38H-N 129.773 8.902 T39H-N 113.712 8.024 L40H-N 121.7 8.098 L41H-N 121.25 8.678 N42H-N 116.479 8.066 N42HD21-ND2 111.897 7.681 N42HD22-ND2 111.897 6.84 L43H-N 121.097 7.74 D45H-N 120.803 7.976 V46H-N 115.095 8.01 A47H-N 122.21 7.56 E48H-N 111.654 7.185 E49H-N 116.318 7.377 L52H-N 117.286 8.297 E53H-N 119.882 7.461 F54H-N 120.27 8.246 A55H-N 121.343 8.58 K56H-N 117.418 7.801 C57H-N 118.08 8.087 M58H-N 117.9 8.3 E60H-N 115.8 7.499 L61H-N 120.4 8.1 V62H-N 121.037 8.568 L63H-N 119.225 7.728 K64H-N 116.523 7.556 S65H-N 115.278 8.366 A66H-N 123.689 8.771 N67H-N 116.074 8.367 N67HD21-ND2 112.766 7.597 N67HD22-ND2 112.766 6.884 S68H-N 116.02 8.087 L69H-N 119.547 7.567 G70H-N 104.806 7.583 V71H-N 117.729 7.174 L72H-N 127.271 8.959 N73H-N 114.774 8.28 N73HD21-ND2 112.85 6.965 N73HD22-ND2 112.85 7.804 H75H-N 113.989 8.137 L76H-N 120.279 7.258 I77H-N 116.594 7.027 A78H-N 123.121 7.81 N79H-N 116.079 8.318 N79HD21-ND2 112.562 7.63 N79HD22-ND2 112.562 6.945 N80H-N 119.005 8.166 N80HD21-ND2 109.833 7.434 N80HD22-ND2 109.833 6.663 I81H-N 121.527 8.308 Y82H-N 120.757 8.435 Q83H-N 115.306 8.702 Q83HE21-NE2 111.148 7.451 Q83HE22-NE2 111.148 6.819 S84H-N 115.703 7.894 V85H-N 120.21 7.91 V86H-N 113.714 7.997 S87H-N 113.807 7.805 N88H-N 119.139 7.465 N88HD21-ND2 115.267 7.904 N88HD22-ND2 115.267 6.891 L89H-N 120.812 7.66 D90H-N 116.745 8.42 I91H-N 116.435 7.671 L92H-N 121.51 7.656 H93H-N 116.3 7.865 S95H-N 115.961 8.453 A96H-N 123.739 7.739 V98H-N 119.5 7.905 N99H-N 116.868 7.19 L100H-N 122.0 8.15 Y101H-N 119.175 8.485 A102H-N 119.146 8.34 N103H-N 115.114 8.468 N103HD21-ND2 111.165 7.348 N103HD22-ND2 111.165 6.72 A104H-N 122.177 7.944 M105H-N 118.515 8.28 A106H-N 120.152 8.222 G107H-N 102.97 8.305 S108H-N 117.158 7.507 L109H-N 119.871 8.221 F110H-N 122.0 8.7 L111H-N 122.916 8.356 E112H-N 114.503 7.458 G113H-N 106.532 7.56 I114H-N 118.096 7.485 L115H-N 120.347 6.477 N116H-N 124.575 9.655 N116HD21-ND2 115.578 7.606 N116HD22-ND2 115.578 6.613 S117H-N 112.9 8.763 D118H-N 120.265 8.439 N119H-N 116.385 7.897 N119HD21-ND2 106.82 7.305 N119HD22-ND2 106.82 7.21 A120H-N 122.909 7.435 A121H-N 117.723 8.567 T122H-N 116.278 7.865 L123H-N 122.623 8.98 A124H-N 123.301 8.036 K125H-N 117.16 7.472 K126H-N 120.733 8.138 C127H-N 116.65 8.564 A128H-N 122.529 8.51 N129H-N 118.497 8.818 N129HD21-ND2 110.744 7.585 N129HD22-ND2 110.744 6.81 D130H-N 121.75 8.543 M131H-N 119.964 7.878 E132H-N 121.017 8.664 A133H-N 120.189 7.843 F134H-N 118.599 7.752 A135H-N 121.85 8.548 K136H-N 116.4 7.855 K137H-N 116.815 7.312 M138H-N 117.754 7.585 V139H-N 117.583 7.713 E140H-N 122.109 8.148 I141H-N 120.492 7.914 G142H-N 117.601 7.892 N1H-N 120.403 8.467 N1HD21-ND2 112.689 7.521 N1HD22-ND2 112.689 6.833 L2H-N 121.8 8.098 S3H-N 116.621 8.26 I4H-N 121.909 8.039 G5H-N 111.693 8.284 D6H-N 120.327 8.099 T7H-N 114.311 8.174 T8H-N 115.841 8.144 S9H-N 117.676 8.144 I10H-N 122.205 7.961 I11H-N 121.603 7.764 Q12H-N 121.21 7.963 Q12HE21-NE2 111.919 7.381 Q12HE22-NE2 111.919 6.785 L13H-N 121.273 7.804 F14H-N 116.64 7.788 K15H-N 121.2 7.842 N16H-N 117.419 8.188 N16HD21-ND2 112.441 7.485 N16HD22-ND2 112.441 6.78 F17H-N 120.22 7.932 T18H-N 116.976 7.89 S22H-N 111.461 8.061 V23H-N 124.109 6.777 A24H-N 121.859 7.249 T25H-N 116.234 8.494 F26H-N 124.89 8.31 I27H-N 119.041 8.595 S28H-N 114.628 8.504 N29H-N 119.63 8.075 N29HD21-ND2 113.204 7.508 N29HD22-ND2 113.204 7.508 F30H-N 120.321 8.887 H31H-N 115.354 8.582 S32H-N 113.86 7.84 I33H-N 122.7 7.87 V34H-N 120.22 7.84 Q35H-N 112.011 7.554 Q35HE21-NE2 111.248 7.151 Q35HE22-NE2 111.248 6.771 S36H-N 111.043 7.197 S37H-N 117.942 7.653 K38H-N 129.773 8.902 T39H-N 113.712 8.024 L40H-N 121.7 8.098 L41H-N 121.25 8.678 N42H-N 116.479 8.066 N42HD21-ND2 111.897 7.681 N42HD22-ND2 111.897 6.84 L43H-N 121.097 7.74 D45H-N 120.803 7.976 V46H-N 115.095 8.01 A47H-N 122.21 7.56 E48H-N 111.654 7.185 E49H-N 116.318 7.377 L52H-N 117.286 8.297 E53H-N 119.882 7.461 F54H-N 120.27 8.246 A55H-N 121.343 8.58 K56H-N 117.418 7.801 C57H-N 118.08 8.087 M58H-N 117.9 8.3 E60H-N 115.8 7.499 L61H-N 120.4 8.1 V62H-N 121.037 8.568 L63H-N 119.225 7.728 K64H-N 116.523 7.556 S65H-N 115.278 8.366 A66H-N 123.689 8.771 N67H-N 116.074 8.367 N67HD21-ND2 112.766 7.597 N67HD22-ND2 112.766 6.884 S68H-N 116.02 8.087 L69H-N 119.547 7.567 G70H-N 104.806 7.583 V71H-N 117.729 7.174 L72H-N 127.271 8.959 N73H-N 114.774 8.28 N73HD21-ND2 112.85 6.965 N73HD22-ND2 112.85 7.804 H75H-N 113.989 8.137 L76H-N 120.279 7.258 I77H-N 116.594 7.027 A78H-N 123.121 7.81 N79H-N 116.079 8.318 N79HD21-ND2 112.562 7.63 N79HD22-ND2 112.562 6.945 N80H-N 119.005 8.166 N80HD21-ND2 109.833 7.434 N80HD22-ND2 109.833 6.663 I81H-N 121.527 8.308 Y82H-N 120.757 8.435 Q83H-N 115.306 8.702 Q83HE21-NE2 111.148 7.451 Q83HE22-NE2 111.148 6.819 S84H-N 115.703 7.894 V85H-N 120.21 7.91 V86H-N 113.714 7.997 S87H-N 113.807 7.805 N88H-N 119.139 7.465 N88HD21-ND2 115.267 7.904 N88HD22-ND2 115.267 6.891 L89H-N 120.812 7.66 D90H-N 116.745 8.42 I91H-N 116.435 7.671 L92H-N 121.51 7.656 H93H-N 116.3 7.865 S95H-N 115.961 8.453 A96H-N 123.739 7.739 V98H-N 119.5 7.905 N99H-N 116.868 7.19 L100H-N 122.0 8.15 Y101H-N 119.175 8.485 A102H-N 119.146 8.34 N103H-N 115.114 8.468 N103HD21-ND2 111.165 7.348 N103HD22-ND2 111.165 6.72 A104H-N 122.177 7.944 M105H-N 118.515 8.28 A106H-N 120.152 8.222 G107H-N 102.97 8.305 S108H-N 117.158 7.507 L109H-N 119.871 8.221 F110H-N 122.0 8.7 L111H-N 122.916 8.356 E112H-N 114.503 7.458 G113H-N 106.532 7.56 I114H-N 118.096 7.485 L115H-N 120.347 6.477 N116H-N 124.575 9.655 N116HD21-ND2 115.578 7.606 N116HD22-ND2 115.578 6.613 S117H-N 112.9 8.763 D118H-N 120.265 8.439 N119H-N 116.385 7.897 N119HD21-ND2 106.82 7.305 N119HD22-ND2 106.82 7.21 A120H-N 122.909 7.435 A121H-N 117.723 8.567 T122H-N 116.278 7.865 L123H-N 122.623 8.98 A124H-N 123.301 8.036 K125H-N 117.16 7.472 K126H-N 120.733 8.138 C127H-N 116.65 8.564 A128H-N 122.529 8.51 N129H-N 118.497 8.818 N129HD21-ND2 110.744 7.585 N129HD22-ND2 110.744 6.81 D130H-N 121.75 8.543 M131H-N 119.964 7.878 E132H-N 121.017 8.664 A133H-N 120.189 7.843 F134H-N 118.599 7.752 A135H-N 121.85 8.548 K136H-N 116.4 7.855 K137H-N 116.815 7.312 M138H-N 117.754 7.585 V139H-N 117.583 7.713 E140H-N 122.109 8.148 I141H-N 120.492 7.914 G142H-N 117.601 7.892