Assignment w1 w2 S3H-N 123.685 8.359 S5H-N 108.603 8.239 S6H-N 122.596 8.315 G8H-N 107.981 7.937 Y9H-N 118.864 7.58 M10H-N 118.708 9.472 D11H-N 120.963 8.534 L12H-N 125.705 9.066 M13H-N 123.373 8.675 F15H-N 114.433 8.391 I16H-N 121.741 7.974 N17H-N 125.783 8.772 N17HD21-ND2 110.157 6.945 N17HD22-ND2 110.157 7.571 K18H-N 127.094 8.942 A19H-N 119.408 7.99 G20H-N 104.314 7.54 C21H-N 117.387 7.122 E22H-N 120.264 8.614 C23H-N 124.539 8.951 L24H-N 129.283 9.109 N25H-N 118.32 9.066 N25HD21-ND2 115.21 6.25 N25HD22-ND2 115.21 9.189 E26H-N 117.853 7.719 S27H-N 120.565 8.502 D28H-N 124.539 8.824 E29H-N 117.162 8.133 H30H-N 120.264 7.298 G31H-N 109.302 8.004 F32H-N 118.32 9.407 D33H-N 116.61 8.83 N34H-N 114.65 7.414 N34HD21-ND2 111.867 7.597 N34HD22-ND2 111.867 7.285 C35H-N 114.588 7.675 L36H-N 117.775 6.759 R37H-N 116.804 6.983 R37HE-NE 85.046 7.5 K38H-N 127.494 8.668 D39H-N 125.628 8.267 T40H-N 106.971 8.021 T41H-N 116.235 8.045 F42H-N 114.899 7.761 L43H-N 124.073 8.759 E44H-N 122.207 8.55 S45H-N 120.497 8.632 D46H-N 117.076 7.715 C47H-N 114.199 8.851 D48H-N 119.253 8.154 E49H-N 118.164 10.332 Q50H-N 120.095 8.238 Q50HE21-NE2 111.09 7.161 Q50HE22-NE2 111.09 7.545 L51H-N 116.61 8.051 L52H-N 122.985 7.449 I53H-N 128.661 9.471 T54H-N 125.24 9.526 V55H-N 124.462 9.463 A56H-N 127.96 6.72 F57H-N 118.553 8.309 N58H-N 120.264 9.804 N58HD21-ND2 110.934 6.825 N58HD22-ND2 110.934 7.59 Q59H-N 114.665 7.929 Q59HE21-NE2 112.023 7.773 Q59HE22-NE2 112.023 6.901 V61H-N 116.532 8.882 K62H-N 117.62 8.586 L63H-N 118.706 7.988 Y64H-N 118.631 8.745 S65H-N 112.567 8.483 M66H-N 120.186 9.178 K67H-N 122.052 8.409 F68H-N 130.524 9.595 Q69H-N 119.408 8.533 Q69HE21-NE2 108.135 6.301 Q69HE22-NE2 108.135 7.204 G70H-N 106.349 8.653 D72H-N 117.464 8.063 N73H-N 117.69 7.367 N73HD21-ND2 111.789 7.28 N73HD22-ND2 111.789 7.708 G74H-N 110.155 8.829 Q75H-N 114.51 7.778 Q75HE21-NE2 111.323 5.676 Q75HE22-NE2 111.323 6.891 G76H-N 106.116 8.074 K78H-N 119.797 8.239 Y79H-N 121.896 7.639 V80H-N 123.063 8.533 K81H-N 120.963 9.012 I82H-N 121.119 8.65 F83H-N 127.261 9.777 I84H-N 112.256 8.207 N85H-N 116.842 8.819 N85HD21-ND2 112.256 7.856 N85HD22-ND2 112.256 7.456 L86H-N 118.864 8.086 R88H-N 115.055 7.122 R88HE-NE 84.424 7.215 S89H-N 116.22 8.33 M90H-N 124.384 8.155 D91H-N 120.264 7.501 F92H-N 116.072 7.832 E93H-N 120.264 8.148 E94H-N 120.497 8.251 A95H-N 124.277 8.121 E96H-N 117.154 7.671 R97H-N 114.601 7.369 R97HE-NE 81.625 8.375 S98H-N 115.565 7.616 E99H-N 126.872 8.931 T101H-N 119.875 8.631 Q102H-N 115.598 7.611 Q102HE21-NE2 107.202 6.693 Q102HE22-NE2 107.202 7.418 A103H-N 129.439 8.832 L104H-N 122.052 8.956 E105H-N 122.363 8.482 L106H-N 128.039 8.842 T107H-N 116.448 9.721 E108H-N 116.376 8.862 D109H-N 115.988 7.682 D110H-N 121.041 7.646 I111H-N 105.083 6.626 K112H-N 118.864 6.656 E113H-N 118.553 8.602 D114H-N 115.958 8.14 G115H-N 110.856 8.264 I116H-N 125.161 8.481 V117H-N 127.494 9.016 L119H-N 120.574 7.866 R120H-N 121.974 9.195 R120HE-NE 81.858 8.194 Y121H-N 125.628 7.702 V122H-N 120.652 7.948 K123H-N 117.62 8.264 F124H-N 118.087 7.67 Q125H-N 114.665 7.619 Q125HE21-NE2 113.422 6.031 Q125HE22-NE2 113.422 7.187 N126H-N 118.553 8.243 N126HD21-ND2 110.468 7.332 N126HD22-ND2 110.468 6.562 V127H-N 124.695 9.027 N128H-N 124.384 10.174 N128HD21-ND2 112.645 7.352 N128HD22-ND2 112.645 6.87 S129H-N 114.043 8.348 V130H-N 120.419 9.258 T131H-N 125.317 9.454 I132H-N 127.728 10.198 F133H-N 128.35 9.707 V134H-N 129.048 9.192 Q135H-N 125.939 8.371 Q135HE21-NE2 110.079 7.75 Q135HE22-NE2 110.079 6.52 S136H-N 108.837 7.738 N137H-N 115.754 8.83 N137HD21-ND2 114.744 6.633 N137HD22-ND2 114.744 7.281 Q138H-N 114.588 8.307 Q138HE21-NE2 111.323 6.657 Q138HE22-NE2 111.323 7.388 G139H-N 105.88 9.371 E140H-N 120.341 7.878 E141H-N 118.76 8.568 E142H-N 121.974 8.98 T143H-N 101.883 7.151 T144H-N 119.797 8.533 R145H-N 122.673 8.594 R145HE-NE 86.756 6.432 I146H-N 119.097 8.906 S147H-N 122.985 9.523 Y148H-N 120.264 7.117 F149H-N 129.204 7.671 T150H-N 113.266 7.976 F151H-N 116.765 8.295 I152H-N 121.663 8.799 G153H-N 114.071 9.203 T154H-N 118.242 8.748 V156H-N 123.55 8.223 Q157H-N 121.034 8.538 Q157HE21-NE2 112.178 7.526 Q157HE22-NE2 112.178 6.877 A158H-N 126.484 8.282 T159H-N 113.655 8.204 N160H-N 120.963 8.534 N160HD21-ND2 112.8 7.629 N160HD22-ND2 112.8 6.907 M161H-N 121.041 8.425 N162H-N 118.871 8.408 N162HD21-ND2 113.113 7.577 N162HD22-ND2 113.113 6.904 D163H-N 120.108 8.103 F164H-N 120.159 8.026 K165H-N 122.752 8.121 S166H-N 116.687 8.21 G167H-N 110.622 8.216 S169H-N 116.402 8.528 S170H-N 117.775 8.324 G171H-N 116.842 8.052