Assignment w1 w2 Q3H-N 115.685 8.442 Q3HE21-NE2 112.467 6.949 Q3HE22-NE2 112.467 7.358 E4H-N 121.941 8.161 S5H-N 116.36 8.291 R6H-N 122.139 7.935 R7H-N 119.527 7.952 L8H-N 120.237 8.12 S9H-N 116.214 8.86 I10H-N 122.927 8.133 Q11H-N 118.893 8.25 Q11HE21-NE2 111.135 6.799 Q11HE22-NE2 111.135 7.41 R12H-N 119.56 8.272 I14H-N 120.174 8.597 Q15H-N 119.677 8.105 Q15HE21-NE2 111.487 6.88 Q15HE22-NE2 111.487 7.508 S16H-N 116.542 8.115 L17H-N 124.87 8.496 V18H-N 119.345 8.54 H19H-N 116.521 7.944 A20H-N 121.753 9.83 C21H-N 112.237 7.913 Q22H-N 115.939 7.32 Q22HE21-NE2 111.958 6.954 Q22HE22-NE2 111.958 7.353 C23H-N 124.452 7.268 R24H-N 130.523 8.854 N25H-N 119.613 7.553 N25HD21-ND2 111.495 7.44 N25HD22-ND2 111.495 7.833 A26H-N 130.841 9.185 N27H-N 113.345 8.52 N27HD21-ND2 113.192 6.9 N27HD22-ND2 113.192 7.621 C28H-N 123.463 7.224 S29H-N 125.781 8.811 L30H-N 125.656 7.851 S32H-N 112.707 8.625 C33H-N 126.2 6.679 Q34H-N 115.529 7.87 Q34HE21-NE2 111.148 6.808 Q34HE22-NE2 111.148 7.404 K35H-N 117.144 8.34 M36H-N 117.485 8.163 K37H-N 120.83 9.337 R38H-N 118.965 7.399 V39H-N 123.14 8.42 V40H-N 118.716 8.195 Q41H-N 119.193 8.31 Q41HE21-NE2 111.895 6.872 Q41HE22-NE2 111.895 7.456 H42H-N 118.579 8.152 T43H-N 113.599 7.997 K44H-N 120.27 7.381 G45H-N 125.48 7.61 C46H-N 123.457 6.898 R48H-N 122.731 8.575 K49H-N 118.409 8.663 G52H-N 129.89 7.879 G53H-N 128.949 7.765 C54H-N 122.429 8.8 V56H-N 121.605 7.75 C57H-N 124.26 8.884 K58H-N 117.129 8.133 Q59H-N 117.943 7.318 L60H-N 120.67 8.667 I61H-N 119.837 8.78 A62H-N 122.779 7.675 L63H-N 118.291 7.983 C64H-N 118.409 8.663 C65H-N 118.996 8.672 Y66H-N 120.65 7.837 H67H-N 117.149 8.323 A68H-N 121.519 8.693 K69H-N 114.376 7.126 H70H-N 113.369 6.884 C71H-N 123.813 6.969 Q72H-N 128.43 9.101 Q72HE21-NE2 112.584 6.773 Q72HE22-NE2 112.584 7.332 E73H-N 123.251 8.331 K75H-N 121.35 8.779 C76H-N 124.209 7.59 V78H-N 128.606 8.962 C81H-N 124.104 7.66 L82H-N 115.95 8.17 N83H-N 116.117 7.826 N83HD21-ND2 111.767 7.31 N83HD22-ND2 111.767 7.712 I84H-N 121.553 8.607 K85H-N 119.992 8.855 H86H-N 117.237 8.1 K87H-N 119.118 7.685 L88H-N 119.305 8.23 R89H-N 118.302 7.765 Q90H-N 119.45 7.851 Q90HE21-NE2 112.171 6.802 Q90HE22-NE2 112.171 7.358 Q91H-N 120.675 8.71 Q91HE21-NE2 112.398 6.798 Q91HE22-NE2 112.398 7.567 Q92H-N 126.7 7.945 Q92HE21-NE2 112.236 6.772 Q92HE22-NE2 112.236 7.486 M3H-N 121.881 8.23 A4H-N 126.758 8.269 E6H-N 121.693 8.468 D7H-N 120.873 8.574 N9H-N 117.19 8.301 N9HD21-ND2 110.925 6.779 N9HD22-ND2 110.925 7.336 E10H-N 122.354 7.366 E11H-N 120.391 8.618 A12H-N 122.378 8.28 V13H-N 116.653 7.773 S14H-N 115.328 8.288 Q15H-N 119.35 7.775 Q15HE21-NE2 111.779 6.745 Q15HE22-NE2 111.779 7.492 I16H-N 117.427 7.217 F17H-N 117.389 8.37 D19H-N 123.618 9.127 S20H-N 112.914 8.624 V21H-N 123.28 7.38 M22H-N 117.825 7.638 L23H-N 119.633 8.102 A24H-N 120.682 7.464 V25H-N 112.53 7.668 Q26H-N 121.794 7.806 Q26HE21-NE2 112.72 6.877 Q26HE22-NE2 112.72 7.595 E27H-N 120.41 8.34 G28H-N 109.255 8.295 I29H-N 119.126 7.889 D30H-N 123.665 8.442 L31H-N 122.359 8.141 L32H-N 120.762 8.84 T33H-N 113.606 7.728 F34H-N 123.6 8.181 A37H-N 125.277 8.37 G39H-N 109.831 8.503 S40H-N 116.937 8.8 E42H-N 125.966 7.948