Assignment w1 w2 L3H-N 126.13 8.492 K4H-N 130.327 10.698 S5H-N 111.618 10.875 D6H-N 125.594 7.825 E7H-N 118.45 7.752 V8H-N 117.914 7.01 F9H-N 117.845 7.384 A10H-N 122.781 7.91 K11H-N 118.673 7.356 I12H-N 123.004 8.424 A13H-N 121.053 8.206 K14H-N 115.968 7.244 R15H-N 123.094 8.116 L16H-N 118.896 8.153 E17H-N 114.967 7.456 S18H-N 110.01 7.395 I19H-N 122.245 6.982 D20H-N 128.809 8.908 A22H-N 118.092 8.012 N23H-N 119.242 7.94 N23HD21-ND2 118.061 8.763 N23HD22-ND2 118.061 6.997 R24H-N 120.816 8.839 Q25H-N 119.485 9.496 Q25HE21-NE2 112.288 7.329 Q25HE22-NE2 112.288 6.94 V26H-N 119.879 8.469 E27H-N 125.728 8.718 H28H-N 115.19 6.271 V29H-N 121.129 8.645 Y30H-N 126.166 8.723 K31H-N 122.602 8.629 F32H-N 125.575 10.058 R33H-N 126.701 9.861 I34H-N 123.913 9.061 T35H-N 118.316 9.081 Q36H-N 118.628 8.735 Q36HE21-NE2 111.796 7.615 Q36HE22-NE2 111.796 6.814 G37H-N 122.6 10.636 G38H-N 106.126 9.429 K39H-N 120.14 7.289 V40H-N 124.34 8.848 V41H-N 122.513 9.263 K42H-N 121.35 7.656 N43H-N 120.739 7.827 N43HD21-ND2 111.395 6.254 N43HD22-ND2 111.395 7.089 W44H-N 120.615 9.309 V45H-N 122.468 9.802 M46H-N 129.138 9.708 D47H-N 127.023 9.258 L48H-N 121.261 8.334 K49H-N 122.904 8.692 N50H-N 116.574 8.578 N50HD21-ND2 113.761 7.812 N50HD22-ND2 113.761 6.824 V51H-N 116.753 7.321 K52H-N 121.583 8.592 L53H-N 125.757 8.75 V54H-N 122.424 9.112 E55H-N 126.256 8.627 S56H-N 121.514 7.598 D57H-N 119.923 8.077 D58H-N 119.834 7.255 A59H-N 121.307 8.09 A60H-N 118.896 8.086 E61H-N 119.209 7.884 A62H-N 118.733 7.163 T63H-N 118.003 8.598 L64H-N 131.002 9.617 T65H-N 120.253 9.162 M66H-N 123.602 9.053 E67H-N 119.611 8.906 D68H-N 122.29 8.69 D69H-N 114.103 8.939 I70H-N 121.486 7.442 M71H-N 120.727 8.181 F72H-N 118.271 8.422 A73H-N 122.913 7.948 I74H-N 118.16 8.979 G75H-N 106.572 8.739 T76H-N 104.295 7.027 G77H-N 108.671 7.489 A78H-N 122.198 7.98 L79H-N 119.253 6.878 A81H-N 129.605 9.915 K82H-N 114.922 9.541 E83H-N 119.352 6.992 A84H-N 120.85 7.903 M85H-N 115.55 8.162 A86H-N 123.039 7.982 Q87H-N 113.895 7.658 Q87HE21-NE2 110.356 7.509 Q87HE22-NE2 110.356 6.668 D88H-N 116.01 8.114 K89H-N 113.39 8.39 M90H-N 115.904 7.225 E91H-N 124.675 8.708 V92H-N 122.379 8.843 D93H-N 126.576 9.084 G94H-N 109.83 8.471 Q95H-N 123.674 8.335 Q95HE21-NE2 111.397 7.65 Q95HE22-NE2 111.397 6.834 V96H-N 125.103 7.858 E97H-N 116.116 9.27 L98H-N 115.341 7.801 I99H-N 117.869 8.317 F100H-N 117.958 6.716 L101H-N 116.083 7.225 L102H-N 110.993 7.281 E103H-N 117.094 7.082 F105H-N 111.573 7.513 I106H-N 124.828 7.778 A107H-N 120.459 8.34 S108H-N 111.707 7.634 L109H-N 122.245 7.457 K110H-N 126.036 7.584