Assignment w1 w2 A3H-N 125.827 8.517 A4H-N 122.934 8.319 S5H-N 116.156 8.275 A7H-N 123.413 8.387 V8H-N 119.563 8.033 D9H-N 125.612 8.708 I10H-N 122.818 8.508 G11H-N 110.42 8.479 D12H-N 121.017 7.583 R13H-N 118.304 7.906 L14H-N 120.896 8.487 D15H-N 121.147 8.411 E16H-N 118.547 8.089 L17H-N 121.561 8.099 E18H-N 119.351 8.641 K19H-N 116.55 7.496 A20H-N 122.555 7.991 L21H-N 117.191 8.709 E22H-N 118.429 7.937 A23H-N 118.948 7.425 L24H-N 118.285 7.639 S25H-N 115.041 8.297 A26H-N 124.287 8.178 E27H-N 117.386 8.098 D28H-N 120.626 8.25 G29H-N 126.799 8.449 D31H-N 119.382 8.676 D32H-N 117.305 9.062 V33H-N 121.745 7.62 G34H-N 125.109 8.02 Q35H-N 119.429 7.773 Q35HE21-NE2 111.59 7.569 Q35HE22-NE2 111.59 6.887 R36H-N 120.112 8.042 L37H-N 119.343 8.427 E38H-N 118.318 8.4 S39H-N 114.75 8.154 L40H-N 122.181 8.244 L41H-N 120.524 8.085 R42H-N 118.647 8.482 R43H-N 119.727 8.233 W44H-N 121.721 8.51 W44HE1-NE1 128.759 10.45 N45H-N 115.743 8.832 N45HD21-ND2 109.83 7.553 N45HD22-ND2 109.83 6.957 S46H-N 115.174 7.992 R47H-N 120.496 7.456 R48H-N 118.296 7.723 A49H-N 123.417 7.971 D50H-N 118.368 8.153 A51H-N 124.543 7.983 S53H-N 115.93 8.527 T54H-N 115.227 8.277 S55H-N 122.927 8.019 I57H-N 123.98 8.047 D60H-N 120.749 8.412 A61H-N 124.679 8.278 S62H-N 116.091 8.46 D63H-N 122.743 8.539 D64H-N 116.823 8.028 E65H-N 119.941 7.869 L66H-N 122.23 7.757 F67H-N 116.555 8.455 S68H-N 132.064 8.058 M69H-N 121.599 7.926 L70H-N 121.809 8.318 D71H-N 120.316 8.983 Q72H-N 117.125 7.617 Q72HE21-NE2 111.83 7.434 Q72HE22-NE2 111.83 6.85 R73H-N 119.296 7.776 F74H-N 115.746 8.356 G75H-N 127.302 7.974 G76H-N 127.652 8.457 G77H-N 127.741 8.415 E78H-N 120.359 8.504 D79H-N 120.011 8.509 L80H-N 121.42 8.06 L81H-N 120.607 8.062 S83H-N 115.637 8.231 G84H-N 110.24 8.436 D85H-N 119.831 8.212 N86H-N 118.739 8.507 N86HD21-ND2 112.62 7.648 N86HD22-ND2 112.62 6.965 G87H-N 127.57 8.562 M88H-N 119.486 8.225 T89H-N 118.985 8.385 E90H-N 120.081 9.083 E91H-N 116.636 7.618 K92H-N 120.484 8.098 L93H-N 118.034 8.618 R94H-N 117.978 8.333 R95H-N 118.625 8.387 Y96H-N 118.48 8.829 L97H-N 124.775 9.268 K98H-N 118.058 8.427 R99H-N 117.877 7.819 T100H-N 118.134 8.523 V101H-N 123.121 8.668 T102H-N 115.862 7.849 E103H-N 122.544 7.813 L104H-N 121.08 8.944 D105H-N 123.415 9.048 S106H-N 117.055 8.132 V107H-N 120.402 8.76 T108H-N 116.699 8.451 A109H-N 123.276 7.948 R110H-N 119.071 7.779 L111H-N 120.259 8.47 R112H-N 116.931 8.146 E113H-N 117.678 7.711 V114H-N 116.318 8.033 E115H-N 119.665 8.423 H116H-N 117.217 8.065 R117H-N 120.851 8.101 A118H-N 123.787 8.28 G119H-N 127.342 8.243 E120H-N 125.138 7.868