Assignment w1 w2 I5H-N 120.167 8.043 D6H-N 124.181 8.412 L7H-N 122.818 8.321 F8H-N 121.933 8.081 Y9H-N 126.911 8.814 T10H-N 111.174 8.504 G12H-N 104.278 9.687 E13H-N 119.364 7.713 I14H-N 119.685 7.646 L15H-N 115.189 6.99 Y16H-N 113.262 8.181 G17H-N 111.996 7.947 K18H-N 120.648 8.21 R19H-N 127.661 9.925 E20H-N 116.083 9.274 T21H-N 106.094 7.282 Q22H-N 117.276 8.614 Q22HE21-NE2 112.904 6.79 Q22HE22-NE2 112.904 7.533 Q23H-N 117.918 7.654 Q23HE21-NE2 113.359 6.955 Q23HE22-NE2 113.359 7.69 M24H-N 127.854 9.051 E26H-N 119.685 8.242 V27H-N 123.86 8.611 G28H-N 117.276 9.281 Q29H-N 120.969 8.193 Q29HE21-NE2 112.45 7.114 Q29HE22-NE2 112.45 7.826 R30H-N 124.156 8.537 L31H-N 122.415 9.15 R32H-N 119.622 8.554 V33H-N 121.531 8.994 G34H-N 113.743 7.853 G35H-N 107.456 8.258 M36H-N 119.203 8.233 V37H-N 122.094 8.347 M38H-N 131.974 9.355 G40H-N 113.787 9.353 S41H-N 113.101 7.959 V42H-N 124.663 8.403 Q43H-N 129.962 9.534 Q43HE21-NE2 112.45 6.838 Q43HE22-NE2 112.45 7.496 R44H-N 125.466 8.893 D45H-N 127.071 8.568 N47H-N 114.707 8.398 N47HD21-ND2 115.175 7.078 N47HD22-ND2 115.175 7.914 S48H-N 115.67 7.969 L49H-N 118.882 8.629 K50H-N 120.488 8.3 V51H-N 126.108 9.52 T52H-N 118.721 8.728 F53H-N 115.67 8.789 T54H-N 116.152 8.562 I55H-N 124.181 9.376 Y56H-N 123.539 9.832 D57H-N 121.772 9.045 A58H-N 117.597 8.258 E59H-N 116.313 8.872 G60H-N 107.456 8.492 S61H-N 111.816 7.648 V62H-N 114.707 9.019 D63H-N 124.984 8.303 V64H-N 120.006 8.943 S65H-N 120.648 8.54 Y66H-N 125.305 9.205 E67H-N 129.25 7.936 G68H-N 112.459 7.388 I69H-N 119.34 8.559 L70H-N 133.337 9.201 D72H-N 123.348 8.839 L73H-N 115.629 8.037 F74H-N 120.648 7.608 R75H-N 127.854 7.776 E76H-N 121.531 8.792 G77H-N 111.014 9.208 Q78H-N 116.955 7.447 Q78HE21-NE2 112.45 6.904 Q78HE22-NE2 112.45 7.55 G79H-N 109.726 8.849 V80H-N 119.261 9.024 V81H-N 122.575 8.953 V82H-N 122.736 9.402 Q83H-N 123.802 8.515 Q83HE21-NE2 111.542 6.849 Q83HE22-NE2 111.542 7.668 G84H-N 114.065 9.045 E85H-N 121.13 8.316 L86H-N 124.813 8.212 E87H-N 130.604 9.436 K88H-N 119.261 8.576 G89H-N 110.211 8.78 N90H-N 115.189 8.581 N90HD21-ND2 113.813 6.896 N90HD22-ND2 113.813 7.619 H91H-N 117.758 6.979 I92H-N 126.59 8.868 L93H-N 129.25 8.698 A94H-N 129.801 9.288 K95H-N 121.612 9.652 E96H-N 117.918 8.02 V97H-N 124.06 8.539 L98H-N 126.911 9.179 A99H-N 125.305 8.801 K100H-N 121.933 7.925 H101H-N 116.991 7.027 D102H-N 122.893 8.358 E103H-N 121.933 8.655 N104H-N 118.721 8.54 N104HD21-ND2 112.904 6.959 N104HD22-ND2 112.904 7.646 Y105H-N 121.612 8.004 T106H-N 121.495 7.863 E109H-N 120.488 8.694 V110H-N 121.13 8.045 E111H-N 124.02 8.37 K112H-N 122.094 8.292 A113H-N 124.663 8.232 M114H-N 119.203 8.279 E115H-N 121.933 8.318 A116H-N 124.502 8.293 N117H-N 117.063 8.344 H118H-N 125.947 8.038 R120H-N 124.181 8.088 A122H-N 124.342 8.474 S123H-N 120.623 8.275 V124H-N 121.612 8.034 Y125H-N 123.802 8.228 K126H-N 124.256 8.035 D127H-N 123.378 8.326 A129H-N 122.415 8.432 S130H-N 113.98 8.027