Assignment w1 w2 S5H-N 115.628 8.256 M6H-N 121.64 8.345 A7H-N 125.025 8.411 F8H-N 115.656 8.601 A9H-N 123.211 7.839 S10H-N 110.314 8.171 V11H-N 119.433 7.882 L12H-N 117.707 8.053 K13H-N 121.662 9.217 D14H-N 126.511 8.954 A15H-N 119.886 9.095 E16H-N 117.797 7.098 V17H-N 121.035 8.078 T18H-N 115.377 8.6 A19H-N 123.321 7.5 A20H-N 122.566 8.021 L21H-N 119.763 8.404 D22H-N 121.852 8.739 G23H-N 103.984 7.751 C24H-N 113.469 7.616 K25H-N 123.557 7.254 A26H-N 119.845 8.121 A27H-N 127.425 8.994 G28H-N 111.805 8.291 S29H-N 113.187 7.774 F30H-N 124.592 9.137 D31H-N 127.153 6.876 H32H-N 125.025 8.406 K33H-N 120.852 6.752 K34H-N 119.03 7.255 F35H-N 120.553 8.218 F36H-N 117.78 8.957 K37H-N 118.375 7.422 A38H-N 121.956 8.298 C39H-N 108.149 8.15 G40H-N 107.148 7.29 L41H-N 122.421 8.028 S42H-N 110.822 7.711 G43H-N 108.755 7.717 K44H-N 119.001 7.317 S45H-N 116.167 8.78 T46H-N 116.462 8.762 D47H-N 119.919 8.48 E48H-N 120.297 7.736 V49H-N 121.708 8.488 K50H-N 119.347 8.305 K51H-N 120.646 7.684 A52H-N 120.751 8.134 F53H-N 118.556 8.485 A54H-N 116.992 7.403 I55H-N 116.101 7.106 I56H-N 117.356 7.082 D57H-N 118.185 7.657 Q58H-N 126.403 7.681 Q58HE21-NE2 111.814 6.551 Q58HE22-NE2 111.814 7.779 D59H-N 114.571 8.29 K60H-N 115.923 7.884 S61H-N 116.376 8.867 G62H-N 114.883 10.452 F63H-N 114.026 7.993 I64H-N 126.394 9.987 E65H-N 125.943 7.7 E66H-N 123.126 9.44 E67H-N 116.214 9.106 E68H-N 115.965 7.076 L69H-N 121.034 7.832 K70H-N 119.066 7.993 L71H-N 116.031 7.054 F72H-N 119.777 7.649 L73H-N 114.717 9.466 Q74H-N 116.095 7.71 Q74HE21-NE2 107.311 6.835 Q74HE22-NE2 107.311 6.962 N75H-N 113.005 7.199 N75HD21-ND2 118.349 7.332 N75HD22-ND2 118.349 8.185 F76H-N 115.416 7.785 K77H-N 118.023 7.286 A78H-N 129.57 8.7 G79H-N 108.803 8.893 A80H-N 121.912 7.496 R81H-N 118.431 8.349 R81HE-NE 89.916 6.87 A82H-N 120.879 8.294 L83H-N 122.436 8.77 S84H-N 118.01 9.895 A86H-N 120.974 8.514 E87H-N 118.975 8.147 T88H-N 117.883 8.835 K89H-N 120.766 8.488 A90H-N 121.031 7.825 F91H-N 122.618 7.929 L92H-N 118.56 8.402 K93H-N 116.886 8.351 A94H-N 118.001 7.592 G95H-N 102.26 7.664 D96H-N 120.225 8.406 S97H-N 123.535 8.594 D98H-N 118.908 8.677 G99H-N 108.79 7.586 D100H-N 121.095 8.461 G101H-N 112.446 10.309 K102H-N 116.434 7.94 I103H-N 123.263 8.922 G104H-N 117.371 9.76 I105H-N 120.771 8.487 D106H-N 121.649 7.984 E107H-N 122.569 7.8 F108H-N 122.772 9.089 A109H-N 119.231 8.461 A110H-N 118.188 7.768 M111H-N 117.087 7.863 I112H-N 117.63 7.153 K113H-N 118.662 7.441 G114H-N 113.671 7.679