Assignment w1 w2 A5H-N 123.919 8.199 K6H-N 120.163 8.222 D7H-N 119.875 8.29 N8H-N 117.697 8.267 N8HD21-ND2 112.639 7.49 N8HD22-ND2 112.639 6.896 E9H-N 118.955 7.9 A10H-N 122.981 8.987 K11H-N 120.68 8.586 I12H-N 121.355 8.485 F13H-N 124.585 8.188 T14H-N 115.599 7.065 V16H-N 121.721 7.554 E17H-N 123.752 8.08 G18H-N 111.032 8.856 E19H-N 122.591 8.703 F20H-N 121.016 9.245 E21H-N 119.643 8.699 G22H-N 111.409 8.433 I23H-N 118.036 9.038 I24H-N 125.502 9.241 I25H-N 125.318 9.236 G26H-N 117.331 10.006 T27H-N 116.749 8.784 E28H-N 118.96 8.789 D29H-N 115.825 8.088 D30H-N 118.07 7.954 I31H-N 120.068 8.348 R32H-N 125.408 9.088 I33H-N 120.141 8.807 Y34H-N 124.284 9.168 K35H-N 124.094 9.338 R36H-N 125.332 8.96 D37H-N 112.956 8.16 E38H-N 123.018 8.234 L39H-N 123.282 8.514 I40H-N 121.278 7.741 E41H-N 117.776 8.936 S42H-N 115.334 7.326 Y44H-N 115.577 7.361 K45H-N 119.119 8.593 E46H-N 121.775 8.25 M47H-N 124.143 8.475 C48H-N 119.479 8.24 I49H-N 124.897 8.167 Y50H-N 128.044 9.368 E51H-N 121.599 8.862 R52H-N 123.834 9.003 R52HE-NE 85.484 7.602 Q53H-N 125.12 9.478 R54H-N 123.204 8.088 I55H-N 126.317 9.642 Y57H-N 123.836 8.282 N58H-N 124.061 8.41 N58HD21-ND2 112.156 7.581 N58HD22-ND2 112.156 6.797 S59H-N 113.211 5.793 T60H-N 109.213 8.148 A61H-N 123.566 7.786 V62H-N 116.831 7.708 L63H-N 122.839 7.332 L64H-N 121.874 7.947 K65H-N 116.011 7.828 Q66H-N 115.939 7.379 Q66HE21-NE2 114.139 7.678 Q66HE22-NE2 114.139 6.759 V67H-N 117.803 7.98 L68H-N 119.371 7.795 V69H-N 119.803 8.803 D70H-N 118.086 7.858 G71H-N 105.274 7.733 F72H-N 118.443 8.073 E73H-N 125.301 8.815 E74H-N 117.207 9.459 L75H-N 123.769 7.421 V76H-N 126.358 9.006 E77H-N 126.844 8.907 V78H-N 119.02 8.067 E79H-N 121.347 8.647 S80H-N 110.397 7.849 G81H-N 111.133 7.547 F82H-N 120.838 9.067 M83H-N 118.99 9.421 V84H-N 122.548 8.312 G85H-N 115.645 8.649 N86H-N 123.483 8.337 N86HD21-ND2 117.99 8.777 N86HD22-ND2 117.99 6.932 V87H-N 122.91 8.526 H88H-N 127.881 8.976 I89H-N 126.96 9.014 V90H-N 124.118 8.631 L91H-N 127.653 8.752 S92H-N 123.607 8.93 G93H-N 116.624 8.909 Q94H-N 124.632 8.853 Q94HE21-NE2 112.05 7.635 Q94HE22-NE2 112.05 6.885 E95H-N 118.788 7.775 V96H-N 123.845 9.277 V97H-N 127.926 9.256 L98H-N 128.806 9.249 E99H-N 120.473 9.253 W100H-N 125.717 9.269 W100HE1-NE1 128.356 10.593 K101H-N 121.328 8.649 S102H-N 119.673 8.609 S103H-N 118.138 7.448 T105H-N 111.039 8.205 D106H-N 121.372 8.114 D107H-N 120.203 8.502 V108H-N 120.512 7.454 L109H-N 122.875 7.757 A110H-N 120.513 8.317 I111H-N 118.681 7.345 S112H-N 117.681 7.659 I113H-N 122.74 8.539 S114H-N 113.564 8.265 K115H-N 119.865 7.996 M116H-N 117.315 7.701 I117H-N 112.206 7.567 S118H-N 115.744 7.713 D119H-N 128.149 7.994 V4H-N 119.77 8.188 S5H-N 119.598 8.339 M6H-N 121.1 8.116 G7H-N 109.692 8.035 M8H-N 118.576 8.055 V9H-N 115.589 9.107 K10H-N 120.858 8.739 L11H-N 120.389 8.166 D12H-N 122.358 7.952 K13H-N 115.899 8.163 G14H-N 109.711 8.474 F15H-N 117.485 7.523 D16H-N 120.331 8.082 A17H-N 119.706 7.169 L18H-N 117.216 6.641 N19H-N 119.442 8.657 N19HD21-ND2 112.62 7.621 N19HD22-ND2 112.62 6.81 Y20H-N 122.117 8.079 R21H-N 122.567 9.263 A22H-N 123.742 8.371 I23H-N 121.974 8.061 G24H-N 116.743 9.079 T25H-N 118.032 8.736 D26H-N 124.065 8.509 S27H-N 117.854 9.155 V28H-N 119.797 9.225 A29H-N 122.052 8.583 S30H-N 115.313 8.901 F31H-N 121.82 8.895 R32H-N 120.69 8.121 G33H-N 113.247 8.652 V34H-N 115.993 8.685 R35H-N 129.794 9.182 R35HE-NE 85.122 7.657 D36H-N 130.134 9.005 G37H-N 116.55 9.438 D38H-N 127.809 8.688 M39H-N 118.644 7.884 V40H-N 121.678 8.759 R41H-N 125.032 8.925 C42H-N 124.48 8.886 I43H-N 126.694 9.004 G44H-N 107.937 7.6 E45H-N 118.859 8.437 G46H-N 110.274 7.677 M49H-N 119.983 8.266 V50H-N 121.859 8.555 I51H-N 121.369 8.453 G52H-N 106.777 8.67 H53H-N 118.922 8.312 A54H-N 126.288 8.582 D55H-N 121.783 8.764 I56H-N 126.847 8.956 N57H-N 119.844 8.201 N57HD21-ND2 116.05 8.068 N57HD22-ND2 116.05 7.113 E58H-N 122.771 7.855 M59H-N 117.741 8.158 R60H-N 118.225 8.287 R61H-N 117.768 7.661 M62H-N 117.126 7.9 I63H-N 122.562 8.306 V64H-N 121.133 8.367 E65H-N 122.201 8.343 G66H-N 107.515 7.585 S67H-N 110.893 8.084 M68H-N 117.725 7.146 R69H-N 123.801 9.319 V70H-N 120.131 8.381 E71H-N 125.618 8.607 Q72H-N 124.781 8.988 Q72HE21-NE2 110.24 7.645 Q72HE22-NE2 110.24 6.788 E73H-N 126.342 8.684 E74H-N 122.843 9.087 N75H-N 117.207 8.617 N75HD21-ND2 113.286 7.518 N75HD22-ND2 113.286 6.924 G76H-N 106.483 7.856 L77H-N 119.25 9.173 L78H-N 124.086 8.744 V79H-N 130.823 9.799 E80H-N 125.798 9.234 D81H-N 112.539 9.109 C82H-N 112.094 8.314 V83H-N 124.616 7.935 W84H-N 128.517 9.568 W84HE1-NE1 129.436 10.127 I85H-N 120.567 9.318 R86H-N 124.604 9.076 V87H-N 123.289 8.647 S88H-N 122.387 8.782 D90H-N 119.077 8.277 G91H-N 107.383 7.66 V92H-N 121.101 8.376 T93H-N 121.928 9.112 I94H-N 126.42 8.811 D95H-N 127.128 9.044 G96H-N 110.564 9.042 R97H-N 119.417 7.956 D98H-N 122.38 8.419 S99H-N 121.543 8.345 A104H-N 122.993 7.939 V105H-N 119.009 8.645 D107H-N 117.208 7.816 V108H-N 118.833 7.155 V109H-N 122.234 7.93 Y110H-N 121.128 9.126 R111H-N 118.472 7.979 S112H-N 114.359 7.691 S113H-N 113.833 7.53 A114H-N 118.743 8.853 F115H-N 122.284 8.298 I116H-N 124.171 8.587