Assignment w1 w2 H3H-N 120.402 8.357 M4H-N 123.042 8.383 I5H-N 126.778 7.898 R6H-N 127.314 8.387 Q11H-N 118.369 8.187 Q11HE21-NE2 111.818 6.97 Q11HE22-NE2 111.818 7.775 L12H-N 121.133 7.594 R13H-N 118.774 8.954 A14H-N 120.045 8.156 Q15H-N 120.182 7.36 L16H-N 118.345 8.493 N17H-N 114.212 7.637 N17HD21-ND2 112.452 7.608 N17HD22-ND2 112.452 6.844 E18H-N 119.971 7.824 G19H-N 108.017 7.346 L20H-N 124.798 8.735 R21H-N 122.811 8.179 A22H-N 119.178 7.551 A23H-N 113.513 7.15 Y24H-N 118.691 8.881 L25H-N 124.652 9.333 L26H-N 127.663 9.711 L27H-N 121.207 7.878 G28H-N 113.319 9.675 N29H-N 113.942 7.918 N29HD21-ND2 109.542 7.473 N29HD22-ND2 109.542 6.737 D30H-N 121.37 7.87 L32H-N 119.864 7.958 L33H-N 119.247 7.432 L34H-N 121.855 8.412 Q35H-N 118.139 7.727 Q35HE21-NE2 116.471 8.04 Q35HE22-NE2 116.471 6.34 E36H-N 118.164 8.486 S37H-N 115.23 7.817 Q38H-N 123.825 8.313 Q38HE21-NE2 111.101 7.33 Q38HE22-NE2 111.101 6.505 D39H-N 118.568 8.623 A40H-N 123.031 7.796 V41H-N 115.762 7.69 R42H-N 115.806 8.05 Q43H-N 119.866 8.379 Q43HE21-NE2 111.266 7.389 Q43HE22-NE2 111.266 6.826 V44H-N 121.585 7.789 A45H-N 121.368 8.613 A46H-N 122.681 8.657 A47H-N 121.097 7.554 Q48H-N 116.019 7.825 Q48HE21-NE2 112.016 7.032 Q48HE22-NE2 112.016 7.208 G49H-N 105.717 7.731 F50H-N 120.834 8.308 E51H-N 120.767 7.517 E52H-N 119.545 7.358 H53H-N 122.407 8.13 H54H-N 122.782 8.253 T55H-N 120.85 8.603 F56H-N 123.525 9.26 S57H-N 118.249 8.739 I58H-N 126.337 8.531 D59H-N 129.463 9.337 N61H-N 113.485 8.784 N61HD21-ND2 114.402 6.917 N61HD22-ND2 114.402 7.785 T62H-N 121.033 7.778 D63H-N 126.521 8.637 W64H-N 125.762 7.979 N65H-N 115.725 8.131 N65HD21-ND2 114.373 7.938 N65HD22-ND2 114.373 7.037 A66H-N 123.361 7.396 I67H-N 118.905 6.609 F68H-N 118.407 8.526 S69H-N 114.864 8.402 L70H-N 122.504 7.424 C71H-N 114.928 7.542 Q72H-N 116.374 7.55 Q72HE21-NE2 111.446 7.22 Q72HE22-NE2 111.446 6.829 A73H-N 124.488 7.928 M74H-N 119.208 8.304 S75H-N 115.821 8.129 L76H-N 122.767 8.107 F77H-N 117.464 7.95 A78H-N 123.863 8.039 S79H-N 114.787 8.024 R80H-N 122.773 8.249 Q81H-N 119.622 8.362 T82H-N 111.643 9.122 L83H-N 125.041 8.941 L84H-N 128.472 8.98 L85H-N 125.34 9.234 L86H-N 122.965 8.418 L87H-N 122.714 8.708 E89H-N 124.097 9.11 N90H-N 113.502 8.594 N90HD21-ND2 112.829 6.985 N90HD22-ND2 112.829 7.601 G91H-N 106.783 8.106 N93H-N 120.287 6.755 A95H-N 120.742 8.015 I96H-N 118.526 8.216 N97H-N 119.727 8.884 E98H-N 121.328 7.685 Q99H-N 118.192 7.065 Q99HE21-NE2 110.822 6.789 Q99HE22-NE2 110.822 6.5 L100H-N 117.411 8.344 L101H-N 120.758 7.818 T102H-N 120.453 7.778 L103H-N 122.299 8.196 T104H-N 108.241 8.359 G105H-N 107.503 7.427 L106H-N 119.35 7.727 L107H-N 116.462 6.862 H108H-N 116.264 6.745 D109H-N 117.16 8.678 D110H-N 119.128 8.923 L111H-N 124.173 7.88 L112H-N 128.139 8.512 L113H-N 128.437 7.807 I114H-N 127.403 9.717 V115H-N 127.121 9.158 R116H-N 127.691 9.02 G117H-N 113.022 8.809 N118H-N 116.419 8.756 N118HD21-ND2 113.755 7.105 N118HD22-ND2 113.755 7.806 K119H-N 116.027 8.306 L120H-N 125.994 8.233 S121H-N 118.816 9.049 K122H-N 121.275 8.669 A123H-N 119.322 8.146 Q124H-N 118.881 7.697 E125H-N 117.923 7.796 N126H-N 113.859 7.053 N126HD21-ND2 112.477 6.794 N126HD22-ND2 112.477 7.429 A127H-N 123.522 7.146 A128H-N 123.915 8.555 W129H-N 117.465 9.119 F130H-N 124.383 5.753 T131H-N 112.785 7.68 A132H-N 123.041 8.133 L133H-N 115.566 7.178 A134H-N 124.535 7.55 N135H-N 111.233 8.251 N135HD21-ND2 111.801 6.84 N135HD22-ND2 111.801 7.493 R136H-N 115.706 7.773 S137H-N 111.172 7.112 V138H-N 120.132 7.622 Q139H-N 127.054 9.182 Q139HE21-NE2 109.169 7.024 Q139HE22-NE2 109.169 6.83 V140H-N 127.895 9.599 C142H-N 128.581 8.474 Q143H-N 122.627 7.634 Q143HE21-NE2 111.72 7.593 Q143HE22-NE2 111.72 6.852