Assignment w1 w2 A2H-N 127.11 8.79 E3H-N 120.601 8.48 A4H-N 126.59 8.466 V5H-N 123.149 8.549 S6H-N 119.668 8.653 I7H-N 116.618 8.863 S8H-N 121.213 8.188 Y9H-N 117.013 7.825 D10H-N 118.578 8.619 V12H-N 117.582 7.884 Y13H-N 112.828 6.568 G14H-N 99.381 7.652 N15H-N 119.989 7.188 N15HD21-ND2 112.578 7.548 N15HD22-ND2 112.578 6.877 G17H-N 103.574 7.605 Q18H-N 122.559 7.42 Q18HE21-NE2 112.59 7.745 Q18HE22-NE2 112.59 7.146 S19H-N 121.591 8.914 M20H-N 131.057 8.976 N21H-N 113.12 8.474 N21HD21-ND2 111.253 7.46 N21HD22-ND2 111.253 6.863 T22H-N 106.573 7.51 V23H-N 112.167 7.022 A24H-N 120.08 8.744 C25H-N 112.481 6.959 S26H-N 116.392 8.037 N27H-N 120.075 8.648 N27HD21-ND2 113.125 7.671 N27HD22-ND2 113.125 7.018 G28H-N 106.703 8.48 K29H-N 121.628 8.65 F30H-N 116.724 8.728 G31H-N 105.287 7.358 L32H-N 118.514 8.197 A33H-N 120.968 8.392 A34H-N 118.462 8.336 K35H-N 115.752 7.32 Y36H-N 117.382 8.301 T38H-N 106.752 7.749 L39H-N 118.096 8.585 G40H-N 103.229 8.574 D41H-N 116.653 7.42 L42H-N 120.567 7.825 A44H-N 126.244 8.222 F45H-N 119.417 8.179 N47H-N 136.295 9.429 N47HD21-ND2 110.48 7.51 N47HD22-ND2 110.48 6.913 V48H-N 113.553 8.009 G49H-N 101.142 7.654 G50H-N 108.24 9.1 I51H-N 111.814 7.263 D53H-N 119.369 8.409 I54H-N 120.772 8.28 D56H-N 111.708 5.932 W57H-N 119.187 7.852 W57HE1-NE1 129.2 10.122 N58H-N 115.116 8.164 N58HD21-ND2 113.089 7.606 N58HD22-ND2 113.089 6.906 N59H-N 120.1 7.945 N59HD21-ND2 111.482 7.423 N59HD22-ND2 111.482 6.917 D60H-N 119.582 8.265 Q61H-N 120.731 8.555 Q61HE21-NE2 113.803 7.541 Q61HE22-NE2 113.803 6.957 N62H-N 112.954 9.035 N62HD21-ND2 113.414 7.794 N62HD22-ND2 113.414 6.893 C63H-N 123.089 8.265 G64H-N 109.113 9.45 T65H-N 107.247 7.468 C66H-N 124.042 9.493 W67H-N 128.751 9.411 W67HE1-NE1 132.405 10.893 K68H-N 126.398 9.526 V69H-N 129.898 8.976 T70H-N 118.739 8.452 V71H-N 121.307 9.186 N73H-N 113.731 8.769 N73HD21-ND2 114.526 7.601 N73HD22-ND2 114.526 6.977 R74H-N 116.68 7.383 R74HE-NE 84.044 6.628 N75H-N 122.827 8.988 N75HD21-ND2 113.694 7.748 N75HD22-ND2 113.694 7.065 I77H-N 113.166 7.977 F78H-N 119.582 8.265 I79H-N 122.372 9.685 L80H-N 128.726 8.605 G81H-N 113.906 9.972 V82H-N 116.002 8.637 D83H-N 115.384 7.482 S84H-N 115.113 8.249 G85H-N 118.112 8.436 K86H-N 121.372 8.586 G87H-N 103.817 8.444 N88H-N 117.26 7.055 N88HD21-ND2 114.8 7.368 N88HD22-ND2 114.8 6.784 F89H-N 112.852 8.317 N90H-N 125.504 8.546 N90HD21-ND2 108.62 7.471 N90HD22-ND2 108.62 6.476 V91H-N 113.622 8.925 S92H-N 112.951 7.221 Q94H-N 119.452 10.406 Q94HE21-NE2 110.732 7.865 Q94HE22-NE2 110.732 7.381 A95H-N 123.02 8.209 F96H-N 119.66 8.549 T97H-N 118.189 8.67 E98H-N 123.981 8.058 L99H-N 118.273 8.126 T100H-N 103.775 8.009 G101H-N 113.049 8.377 S102H-N 113.434 8.045 T103H-N 110.573 8.325 D104H-N 121.313 8.491 A105H-N 121.533 8.235 G106H-N 105.839 7.825 R107H-N 120.409 8.171 R107HE-NE 83.638 7.216 V108H-N 123.686 8.84 N109H-N 123.677 8.788 N109HD21-ND2 112.148 7.537 N109HD22-ND2 112.148 6.851 D110H-N 117.447 8.266 I111H-N 111.648 7.767 Q112H-N 119.449 8.148 Q112HE21-NE2 112.224 7.435 Q112HE22-NE2 112.224 6.749 Y113H-N 117.801 8.331 E114H-N 116.889 8.573 K115H-N 129.328 8.766 V116H-N 120.164 8.564 S117H-N 114.26 8.41 A118H-N 125.42 9.17 D119H-N 118.408 8.904 N120H-N 119.975 7.835 N120HD21-ND2 117.45 7.535 N120HD22-ND2 117.45 7.093 C121H-N 118.013 7.367 K122H-N 107.563 7.254 M123H-N 115.551 7.143 V125H-N 119.583 8.268 A126H-N 129.644 8.273