Assignment w1 w2 Y3H-N 117.69 7.616 C4H-N 122.87 8.85 D5H-N 113.14 8.805 F6H-N 117.236 8.867 C7H-N 117.84 8.397 L8H-N 117.67 8.143 G9H-N 111.64 9.336 G10H-N 124.88 8.474 S11H-N 119.35 9.221 N12H-N 117.0 8.513 N12HD21-ND2 114.04 7.68 N12HD22-ND2 114.04 6.973 M13H-N 116.06 7.21 N14H-N 110.23 8.301 N14HD21-ND2 116.4 7.321 N14HD22-ND2 116.4 6.438 K15H-N 111.77 8.332 K16H-N 120.0 8.759 S17H-N 113.7 7.73 G18H-N 111.71 8.41 R19H-N 119.34 7.72 E21H-N 123.17 7.473 E22H-N 123.87 8.44 L23H-N 116.32 7.981 V24H-N 120.63 8.513 S25H-N 118.04 8.502 C26H-N 111.47 9.24 A27H-N 117.28 8.941 D28H-N 119.82 8.891 C29H-N 119.213 8.365 G30H-N 111.4 7.52 R31H-N 125.6 8.96 S32H-N 118.65 8.972 G33H-N 122.56 8.711 H34H-N 123.18 8.613 T36H-N 126.6 9.703 C37H-N 125.7 6.943 L38H-N 118.64 7.616 Q39H-N 111.44 7.475 Q39HE21-NE2 112.11 7.42 Q39HE22-NE2 112.11 6.74 F40H-N 118.09 7.998 T41H-N 112.275 7.56 L42H-N 123.855 8.829 N43H-N 116.46 8.62 N43HD21-ND2 112.746 7.71 N43HD22-ND2 112.746 6.923 M44H-N 122.3 7.737 T45H-N 114.985 7.963 E46H-N 116.27 7.296 A47H-N 122.63 8.156 V48H-N 112.95 8.343 K49H-N 115.88 6.985 T50H-N 123.7 8.01 Y51H-N 120.265 7.724 K52H-N 120.1 8.31 W53H-N 113.51 7.557 W53HE1-NE1 115.6 11.66 Q54H-N 124.22 7.406 Q54HE21-NE2 118.074 8.58 Q54HE22-NE2 118.074 6.59 C55H-N 120.608 8.845 I56H-N 116.53 8.48 E57H-N 121.09 8.06 C58H-N 121.43 7.74 K59H-N 117.11 7.19 S60H-N 115.95 7.83 C61H-N 123.14 8.07 I62H-N 112.55 8.33 L63H-N 121.473 8.55 C64H-N 116.984 8.149 G65H-N 113.125 8.143 T66H-N 113.254 8.332 S67H-N 116.857 8.89 E68H-N 119.613 7.418 N69H-N 117.16 9.256 N69HD21-ND2 114.15 7.529 N69HD22-ND2 114.15 6.856 D70H-N 117.23 8.51 D71H-N 118.09 8.845 Q72H-N 117.496 8.344 Q72HE21-NE2 112.168 7.6 Q72HE22-NE2 112.168 6.676 L73H-N 120.59 7.222 L74H-N 124.58 8.71 F75H-N 120.12 8.36 C76H-N 125.29 9.405 D77H-N 115.04 9.443 D78H-N 121.61 9.575 C79H-N 116.07 8.225 D80H-N 125.88 8.523 R81H-N 121.15 8.833 G82H-N 123.94 9.172 Y83H-N 117.88 8.618 H84H-N 124.11 9.61 M85H-N 121.6 8.997 Y86H-N 123.02 6.267 C87H-N 122.636 7.201 L88H-N 119.169 6.4 N89H-N 115.83 7.972 N89HD21-ND2 112.002 7.541 N89HD22-ND2 112.002 6.8 V92H-N 120.1 7.64 A93H-N 110.825 8.549 E94H-N 115.5 7.384 E97H-N 121.67 8.611 G98H-N 110.37 8.224 S99H-N 117.3 8.249 W100H-N 111.06 9.32 W100HE1-NE1 112.37 9.805 S101H-N 121.47 7.093 C102H-N 111.703 9.308 H103H-N 115.66 8.091 L104H-N 117.06 6.796 C105H-N 123.407 7.802 W106H-N 121.29 8.067 W106HE1-NE1 112.73 9.939 E107H-N 118.008 7.799 L108H-N 119.1 7.479 L109H-N 119.308 7.728 K110H-N 119.733 7.672 E111H-N 120.11 7.963 K112H-N 121.27 7.992 A113H-N 125.61 8.13 S114H-N 120.91 7.869