Assignment w1 w2 M3H-N 119.901 8.531 G4H-N 110.449 8.426 A5H-N 124.025 8.144 K6H-N 120.286 8.304 S7H-N 116.027 8.242 M8H-N 123.014 8.628 W9H-N 119.735 8.259 W9HE1-NE1 129.926 10.475 T10H-N 113.834 9.561 E11H-N 122.383 8.304 H12H-N 123.109 8.436 K13H-N 118.483 8.289 S14H-N 121.476 9.714 D16H-N 111.89 7.933 G17H-N 108.179 8.319 R18H-N 121.354 7.89 R18HE-NE 85.314 7.419 T19H-N 121.897 8.838 Y20H-N 122.449 8.928 Y21H-N 117.107 8.875 Y22H-N 123.53 9.521 N23H-N 129.778 7.995 N23HD21-ND2 111.477 6.699 N23HD22-ND2 111.477 6.699 T24H-N 116.251 8.252 E25H-N 121.442 8.153 T26H-N 108.986 7.743 K27H-N 116.347 7.919 Q28H-N 117.714 7.012 Q28HE21-NE2 112.193 7.551 Q28HE22-NE2 112.193 6.951 S29H-N 118.173 8.455 T30H-N 117.974 9.604 W31H-N 125.447 8.833 W31HE1-NE1 129.4 9.758 E32H-N 120.138 8.365 K33H-N 127.472 8.354 D35H-N 122.758 8.507 D36H-N 114.977 8.452 L37H-N 115.286 7.237 K38H-N 120.665 7.413 T39H-N 115.277 8.79 A41H-N 119.213 8.178 E42H-N 118.048 7.734 Q43H-N 120.476 8.543 Q43HE21-NE2 111.177 7.061 Q43HE22-NE2 111.177 6.729 L44H-N 120.548 7.774 L45H-N 118.675 7.863 S46H-N 114.251 7.859 K47H-N 119.316 7.563 C48H-N 122.373 7.703 W50H-N 118.288 7.462 W50HE1-NE1 129.878 10.405 K51H-N 120.928 8.953 E52H-N 123.913 8.394 Y53H-N 126.531 8.596 K54H-N 117.922 8.335 S55H-N 119.709 8.927 D56H-N 122.521 9.326 G58H-N 111.492 8.21 K59H-N 122.429 7.593 Y61H-N 115.269 8.617 Y62H-N 116.814 8.957 Y63H-N 124.029 9.393 N64H-N 130.668 8.024 N64HD21-ND2 111.24 6.899 N64HD22-ND2 111.24 6.899 S65H-N 119.248 8.396 Q66H-N 120.866 8.455 Q66HE21-NE2 111.638 7.438 Q66HE22-NE2 111.638 6.801 T67H-N 108.861 7.468 K68H-N 116.304 8.009 E69H-N 119.601 7.144 S70H-N 118.514 8.363 R71H-N 121.594 9.732 R71HE-NE 84.991 7.359 W72H-N 120.663 8.8 W72HE1-NE1 129.306 9.888 A73H-N 121.079 7.704 K74H-N 125.996 8.357 K76H-N 126.622 8.55 E77H-N 116.445 9.563 L78H-N 115.949 6.838 E79H-N 120.898 7.57 D80H-N 118.405 8.618 L81H-N 120.604 7.434 E82H-N 119.174 8.08 G83H-N 107.066 8.034 Y84H-N 120.626 7.861 Q85H-N 120.314 8.202 Q85HE21-NE2 111.3 7.363 Q85HE22-NE2 111.3 6.788 N86H-N 118.209 8.176 N86HD21-ND2 112.61 7.58 N86HD22-ND2 112.61 6.914 T87H-N 114.154 7.98 I88H-N 123.003 7.953 V89H-N 123.718 8.078 A90H-N 127.502 8.31 G91H-N 107.852 8.279 S92H-N 115.336 8.071 L93H-N 123.702 8.198 I94H-N 121.51 8.04 T95H-N 118.402 8.143 K96H-N 123.903 8.262 S97H-N 117.032 8.326 N98H-N 121.063 8.432 N98HD21-ND2 112.774 7.56 N98HD22-ND2 112.774 6.848 L99H-N 127.501 7.767 M3H-N 119.782 8.527 S4H-N 117.336 8.32 G5H-N 110.962 8.518 S6H-N 117.192 8.106 L9H-N 121.371 7.861 G12H-N 108.329 8.281 A13H-N 125.02 8.219 S23H-N 116.178 8.408 G24H-N 111.151 8.374 S25H-N 115.319 8.318 G26H-N 111.031 8.407 N27H-N 123.918 7.913 N27HD21-ND2 112.439 7.431 N27HD22-ND2 112.439 6.786