Assignment w1 w2 N13H-N 121.681 8.524 F14H-N 121.263 8.075 C15H-N 122.374 8.311 D16H-N 121.894 7.535 I17H-N 113.965 8.96 T18H-N 117.431 8.744 I19H-N 127.671 9.207 T20H-N 127.487 9.639 A22H-N 115.347 7.124 T23H-N 119.72 8.134 N24H-N 126.579 8.498 R25H-N 117.515 7.528 D26H-N 121.83 8.366 V27H-N 120.716 8.36 N28H-N 120.467 8.163 V29H-N 119.323 9.312 D30H-N 120.967 8.356 R31H-N 123.054 8.227 S32H-N 113.96 8.676 A33H-N 124.221 7.509 N34H-N 121.425 8.839 I35H-N 121.521 8.164 D36H-N 129.853 8.93 L37H-N 124.602 8.898 S38H-N 117.753 8.243 F39H-N 125.074 9.103 T40H-N 116.716 8.319 I41H-N 128.87 9.793 R42H-N 126.108 8.714 Q43H-N 121.325 9.121 Q45H-N 129.651 9.078 Q45HE21-NE2 112.24 7.56 Q45HE22-NE2 112.24 6.75 R46H-N 115.974 8.771 C47H-N 120.264 7.283 A48H-N 127.273 7.333 D49H-N 122.185 8.808 A50H-N 121.399 7.148 G51H-N 106.466 7.73 M52H-N 118.74 7.768 R53H-N 124.435 8.971 I54H-N 121.029 7.816 K55H-N 130.661 8.925 A56H-N 128.397 9.523 W57H-N 118.953 8.951 W57HE1-NE1 131.169 10.182 G58H-N 111.317 8.668 E59H-N 114.833 8.916 A60H-N 121.467 8.492 N61H-N 119.254 8.609 H62H-N 117.021 8.743 G63H-N 106.537 8.16 L65H-N 118.659 8.549 L66H-N 126.11 8.7 I67H-N 126.665 9.317 K68H-N 127.45 9.278 Q70H-N 125.401 8.331 G71H-N 117.642 9.153 G72H-N 108.804 8.292 N73H-N 118.824 8.433 N73HD21-ND2 112.58 6.93 N73HD22-ND2 112.58 7.68 K74H-N 123.628 8.77 S75H-N 116.845 8.552 A76H-N 124.959 7.605 G77H-N 104.934 7.457 F78H-N 116.444 8.845 T79H-N 123.713 9.014 L80H-N 125.265 8.162 A81H-N 124.698 8.597 S82H-N 111.816 8.914 R84H-N 123.153 8.065 F85H-N 123.015 8.658 S86H-N 117.879 8.794 Y87H-N 120.932 8.455 I88H-N 121.716 8.17 N90H-N 116.645 8.456 N91H-N 125.606 7.918 A93H-N 121.686 6.065 N94H-N 119.609 8.433 I95H-N 123.94 8.242 M96H-N 126.425 8.198 N97H-N 119.716 8.324 G98H-N 108.209 7.88 F99H-N 113.156 6.885 V100H-N 120.785 9.428 L101H-N 129.923 8.354 T102H-N 119.596 9.436 N103H-N 120.839 8.705 G105H-N 114.716 9.723 V106H-N 120.706 7.384 Y107H-N 124.844 8.75 Q108H-N 123.166 7.623 L109H-N 128.857 9.119 G110H-N 116.808 9.417 M111H-N 122.908 8.606 Q112H-N 123.871 8.364 G113H-N 110.482 8.369 S114H-N 116.268 9.322 I115H-N 124.716 9.555 T116H-N 122.787 6.893 A118H-N 115.42 7.13 L121H-N 120.3 8.15 G124H-N 113.74 8.84 L125H-N 120.3 8.17 Y126H-N 124.086 9.531 E127H-N 118.686 9.726 V128H-N 121.281 8.709 V129H-N 128.334 8.713 L130H-N 128.29 8.803 N131H-N 124.03 7.885 A132H-N 120.041 8.595 E133H-N 117.993 9.438 L134H-N 122.491 8.469 V135H-N 121.424 9.153 T136H-N 115.054 8.521 N137H-N 119.819 8.56 D138H-N 119.466 8.134 N139H-N 120.456 8.471 K140H-N 120.303 8.165 Q141H-N 120.02 8.074 Q141HE21-NE2 112.2 7.73 Q141HE22-NE2 112.2 6.7 N142H-N 119.938 8.312 A143H-N 124.753 8.162 T144H-N 112.006 7.975 A145H-N 127.748 8.016 V146H-N 120.203 8.094 A147H-N 129.524 8.428 K148H-N 122.292 8.984 T149H-N 115.188 8.167 A150H-N 128.15 9.02 T151H-N 116.24 8.519 S152H-N 123.929 9.067 T153H-N 122.549 8.568 I154H-N 131.195 9.181 T155H-N 127.23 8.811 V156H-N 130.443 9.358 V157H-N 131.641 8.642