Assignment w1 w2 N3H-N 125.313 8.88 N3HD21-ND2 110.202 7.047 N3HD22-ND2 110.202 8.589 T5H-N 114.943 8.816 V6H-N 119.858 8.822 F7H-N 118.979 9.009 F8H-N 116.86 9.589 D9H-N 124.141 9.313 I10H-N 124.262 9.09 A11H-N 132.327 9.644 V12H-N 118.352 8.97 D13H-N 130.914 9.871 G14H-N 101.643 8.588 E15H-N 123.263 8.082 L17H-N 125.889 9.219 G18H-N 102.454 7.276 R19H-N 121.166 8.397 R19HE-NE 85.908 9.062 V20H-N 126.746 9.405 S21H-N 120.226 8.82 F22H-N 118.84 9.549 E23H-N 123.251 8.787 L24H-N 122.418 8.214 F25H-N 124.649 8.897 A26H-N 128.959 8.486 D27H-N 114.066 9.071 K28H-N 117.963 7.553 V29H-N 114.267 8.39 K31H-N 123.63 10.678 T32H-N 123.898 10.303 A33H-N 125.627 9.337 E34H-N 117.21 8.058 N35H-N 115.531 7.164 N35HD21-ND2 115.276 6.836 N35HD22-ND2 115.276 9.031 F36H-N 117.887 7.051 R37H-N 120.923 8.959 A38H-N 119.055 8.707 L39H-N 120.692 8.237 S40H-N 119.187 7.925 T41H-N 108.412 8.017 G42H-N 108.266 7.622 E43H-N 118.58 8.042 K44H-N 118.37 9.136 G45H-N 105.529 7.972 F46H-N 113.593 6.451 G47H-N 104.568 7.76 Y48H-N 113.731 6.928 K49H-N 124.907 8.505 G50H-N 117.846 9.539 S51H-N 116.414 8.418 C52H-N 114.985 9.982 F53H-N 122.837 8.719 H54H-N 120.388 7.691 R55H-N 122.246 7.101 I56H-N 125.826 9.289 I57H-N 128.47 8.859 G59H-N 114.531 9.833 F60H-N 120.918 8.374 M61H-N 111.93 8.305 C62H-N 116.566 8.781 Q63H-N 125.315 9.694 Q63HE21-NE2 110.35 7.7 Q63HE22-NE2 110.35 6.828 G64H-N 110.158 7.524 G65H-N 106.16 9.399 D66H-N 123.77 9.997 F67H-N 116.121 6.677 T68H-N 108.843 7.318 R69H-N 121.919 8.699 N71H-N 112.446 7.59 N71HD21-ND2 110.109 7.614 N71HD22-ND2 110.109 6.772 G72H-N 110.393 9.663 T73H-N 111.973 7.947 G74H-N 113.901 8.708 G75H-N 108.895 8.168 K76H-N 115.107 7.01 S77H-N 113.985 7.724 I78H-N 111.203 8.586 Y79H-N 120.817 8.081 G80H-N 106.279 7.105 E81H-N 123.764 9.052 K82H-N 111.708 7.829 F83H-N 116.287 9.137 E84H-N 119.514 9.309 D85H-N 118.714 8.63 E86H-N 131.59 9.482 N87H-N 106.686 7.046 N87HD21-ND2 116.93 6.873 N87HD22-ND2 116.93 8.009 F88H-N 112.955 8.371 I89H-N 119.636 8.319 L90H-N 117.017 7.694 K91H-N 119.004 8.207 H92H-N 122.467 10.71 H92HD1-ND1 169.305 12.34 T93H-N 110.574 7.356 G94H-N 107.257 7.544 G96H-N 109.952 9.315 I97H-N 121.434 6.816 L98H-N 128.207 7.946 S99H-N 117.92 8.423 M100H-N 122.571 8.592 A101H-N 125.812 7.933 N102H-N 112.923 8.011 N102HD21-ND2 119.969 6.218 N102HD22-ND2 119.969 7.801 A103H-N 123.303 8.802 G104H-N 109.067 8.142 N106H-N 118.972 8.874 N106HD21-ND2 116.269 7.779 N106HD22-ND2 116.269 7.142 T107H-N 110.132 10.191 N108H-N 120.539 7.405 N108HD21-ND2 109.156 7.065 N108HD22-ND2 109.156 6.874 G109H-N 110.622 9.173 S110H-N 117.007 8.796 Q111H-N 124.597 8.434 Q111HE21-NE2 111.402 7.458 Q111HE22-NE2 111.402 6.137 F112H-N 117.132 8.105 F113H-N 117.221 9.875 I114H-N 118.487 9.078 C115H-N 125.993 9.695 T116H-N 115.517 8.815 A117H-N 121.498 7.611 K118H-N 119.793 8.731 T119H-N 118.494 7.459 E120H-N 125.746 9.534 W121H-N 116.661 7.459 L122H-N 119.829 6.846 D123H-N 120.979 7.659 G124H-N 110.432 9.533 K125H-N 114.766 7.427 H126H-N 119.565 7.562 V127H-N 125.213 8.529 V128H-N 132.999 9.58 F129H-N 117.784 8.1 G130H-N 110.96 7.305 K131H-N 114.974 8.398 V132H-N 123.801 9.089 K133H-N 131.812 9.521 E134H-N 118.288 7.586 G135H-N 107.883 8.714 M136H-N 122.519 8.891 N137H-N 114.385 8.953 N137HD21-ND2 114.884 7.793 N137HD22-ND2 114.884 7.069 I138H-N 124.229 7.677 V139H-N 121.877 7.292 E140H-N 117.188 8.305 A141H-N 121.087 7.554 M142H-N 117.689 8.318 E143H-N 115.472 7.813 R144H-N 115.275 7.121 R144HE-NE 84.837 7.146 F145H-N 115.119 7.606 G146H-N 104.598 7.51 S147H-N 109.909 8.164 R148H-N 120.115 8.887 N149H-N 111.788 7.904 N149HD21-ND2 112.953 7.443 N149HD22-ND2 112.953 5.767 G150H-N 109.986 8.115 K151H-N 120.086 7.598 T152H-N 116.654 8.898 S153H-N 116.974 9.454 K154H-N 119.458 7.583 K155H-N 121.67 8.831 I156H-N 134.213 9.637 T157H-N 116.976 9.276 I158H-N 121.577 8.604 A159H-N 132.377 8.917 D160H-N 111.46 8.1 C161H-N 116.035 8.634 G162H-N 104.087 6.856 Q163H-N 121.045 9.123 Q163HE21-NE2 110.781 7.23 Q163HE22-NE2 110.781 8.19 L164H-N 125.936 8.66 E165H-N 125.437 8.154