Assignment w1 w2 S2H-N 115.528 8.751 H3H-N 120.998 8.769 M4H-N 122.227 8.518 A5H-N 125.936 8.651 S6H-N 115.89 8.537 A7H-N 124.543 8.453 D8H-N 118.618 8.064 L9H-N 123.427 8.202 V10H-N 119.385 8.186 S11H-N 115.027 8.252 S12H-N 115.144 8.053 C13H-N 118.211 7.919 K14H-N 120.074 8.632 D15H-N 117.611 7.732 K16H-N 117.878 7.254 L17H-N 115.652 8.138 A18H-N 116.045 7.08 Y19H-N 115.556 7.675 F20H-N 118.275 7.406 R21H-N 119.14 8.714 R21HE-NE 84.463 8.185 I22H-N 120.734 8.708 K23H-N 118.184 8.267 E24H-N 117.651 7.198 L25H-N 119.236 7.98 K26H-N 117.457 8.77 D27H-N 119.023 7.671 I28H-N 119.318 8.039 L29H-N 120.356 8.22 N30H-N 117.446 8.687 N30HD21-ND2 114.907 7.934 N30HD22-ND2 114.907 7.051 Q31H-N 119.946 8.184 Q31HE21-NE2 111.666 7.238 Q31HE22-NE2 111.666 6.847 L32H-N 116.979 7.893 G33H-N 108.299 7.834 L34H-N 120.833 7.986 K36H-N 117.589 8.38 Q37H-N 118.26 7.698 Q37HE21-NE2 111.99 7.589 Q37HE22-NE2 111.99 6.917 G38H-N 109.855 8.449 K39H-N 117.627 8.649 K40H-N 121.705 8.92 Q41H-N 114.634 9.017 Q41HE21-NE2 116.89 8.064 Q41HE22-NE2 116.89 6.908 D42H-N 115.98 7.047 L43H-N 119.074 7.725 I44H-N 118.343 7.867 D45H-N 118.533 8.503 R46H-N 120.911 7.717 R46HE-NE 84.467 7.278 V47H-N 117.438 7.445 L48H-N 117.085 8.466 A49H-N 120.479 7.953 L50H-N 115.306 7.428 L51H-N 115.88 7.642 T52H-N 109.201 7.516 D53H-N 122.188 8.28 E54H-N 121.966 8.588 Q55H-N 120.727 8.642 Q55HE21-NE2 112.704 7.627 Q55HE22-NE2 112.704 6.936 G56H-N 109.357 8.519 Q57H-N 119.207 8.263 Q57HE21-NE2 112.55 7.551 Q57HE22-NE2 112.55 6.934 R58H-N 120.525 8.279 R58HE-NE 84.322 7.229 H59H-N 118.905 8.397 H60H-N 119.527 8.493 G61H-N 110.215 8.604 W62H-N 120.7 8.175 W62HE1-NE1 129.286 10.23 G63H-N 110.195 8.452 R64H-N 120.374 8.136 R64HE-NE 84.319 7.233 K65H-N 121.59 8.483 N66H-N 118.654 8.413 N66HD21-ND2 113.118 7.681 N66HD22-ND2 113.118 6.924 S67H-N 115.494 8.289 L68H-N 123.552 8.063 T69H-N 112.637 7.797 K70H-N 120.128 9.059 E71H-N 117.667 8.699 A72H-N 123.914 7.991 V73H-N 119.435 8.045 A74H-N 120.667 8.407 K75H-N 118.628 7.93 I76H-N 120.231 7.478 V77H-N 122.505 8.325 D78H-N 120.524 8.798 D79H-N 119.762 9.318 T80H-N 117.347 8.084 Y81H-N 123.735 8.83 R82H-N 118.508 8.755 R82HE-NE 84.609 7.54 K83H-N 118.075 7.696 M84H-N 118.233 7.748 Q85H-N 117.242 7.843 Q85HE21-NE2 112.023 6.625 Q85HE22-NE2 112.023 6.483 I86H-N 119.178 7.715 Q87H-N 121.38 8.164 Q87HE21-NE2 112.687 7.606 Q87HE22-NE2 112.687 6.934 C88H-N 118.668 8.238 A89H-N 127.014 8.249 D91H-N 119.209 8.429 L92H-N 122.571 8.208 A93H-N 123.131 8.305 T94H-N 112.097 7.994 R95H-N 122.704 8.211 R95HE-NE 84.345 7.232 S96H-N 116.39 8.365 H97H-N 120.507 8.541 S98H-N 116.801 8.455 G99H-N 111.114 8.597 S100H-N 115.398 8.311 D101H-N 121.81 8.38 F102H-N 120.706 8.249 S103H-N 116.992 8.167 F104H-N 122.0 8.17 R105H-N 124.796 8.101 I107H-N 121.38 8.35 E108H-N 124.836 8.578 E109H-N 122.847 8.459 A110H-N 131.124 8.096 S2H-N 115.528 8.751 H3H-N 120.998 8.769 M4H-N 122.227 8.518 A5H-N 125.937 8.651 S6H-N 115.885 8.537 A7H-N 124.549 8.453 D8H-N 118.618 8.064 L9H-N 123.427 8.202 V10H-N 119.385 8.186 S11H-N 115.027 8.252 S12H-N 115.144 8.053 C13H-N 118.211 7.919 K14H-N 120.074 8.632 D15H-N 117.613 7.732 K16H-N 117.878 7.254 L17H-N 115.652 8.138 A18H-N 116.044 7.08 Y19H-N 115.556 7.675 F20H-N 118.275 7.406 R21H-N 119.14 8.714 R21HE-NE 84.463 8.185 I22H-N 120.734 8.708 K23H-N 118.184 8.267 E24H-N 117.654 7.198 L25H-N 119.236 7.98 K26H-N 117.457 8.77 D27H-N 119.023 7.671 I28H-N 119.318 8.039 L29H-N 120.356 8.22 N30H-N 117.446 8.688 N30HD21-ND2 114.908 7.934 N30HD22-ND2 114.908 7.051 Q31H-N 119.946 8.184 Q31HE21-NE2 111.666 7.238 Q31HE22-NE2 111.666 6.847 L32H-N 116.979 7.893 G33H-N 108.299 7.834 L34H-N 120.833 7.986 K36H-N 117.59 8.38 Q37H-N 118.26 7.698 Q37HE21-NE2 112.005 7.586 Q37HE22-NE2 112.005 6.918 G38H-N 109.855 8.449 K39H-N 117.627 8.649 K40H-N 121.705 8.92 Q41H-N 114.637 9.017 Q41HE21-NE2 116.89 8.064 Q41HE22-NE2 116.89 6.908 D42H-N 115.984 7.049 L43H-N 119.074 7.725 I44H-N 118.343 7.867 D45H-N 118.535 8.503 R46H-N 120.91 7.717 R46HE-NE 84.467 7.278 V47H-N 117.438 7.445 L48H-N 117.085 8.466 A49H-N 120.48 7.952 L50H-N 115.306 7.428 L51H-N 115.88 7.642 T52H-N 109.201 7.515 D53H-N 122.188 8.28 E54H-N 121.966 8.589 Q55H-N 120.727 8.642 Q55HE21-NE2 112.704 7.627 Q55HE22-NE2 112.704 6.936 G56H-N 109.357 8.519 Q57H-N 119.207 8.263 Q57HE21-NE2 112.55 7.551 Q57HE22-NE2 112.55 6.934 R58H-N 120.525 8.279 R58HE-NE 84.322 7.229 H59H-N 118.905 8.398 H60H-N 119.527 8.493 G61H-N 110.215 8.604 W62H-N 120.7 8.175 W62HE1-NE1 129.289 10.23 G63H-N 110.195 8.452 R64H-N 120.374 8.136 R64HE-NE 84.319 7.233 K65H-N 121.593 8.483 N66H-N 118.654 8.413 N66HD21-ND2 113.118 7.681 N66HD22-ND2 113.118 6.925 S67H-N 115.491 8.288 L68H-N 123.549 8.063 T69H-N 112.637 7.797 K70H-N 120.128 9.059 E71H-N 117.667 8.699 A72H-N 123.924 7.992 V73H-N 119.434 8.044 A74H-N 120.671 8.407 K75H-N 118.624 7.93 I76H-N 120.234 7.478 V77H-N 122.502 8.325 D78H-N 120.524 8.798 D79H-N 119.761 9.318 T80H-N 117.342 8.084 Y81H-N 123.732 8.83 R82H-N 118.508 8.754 R82HE-NE 84.609 7.54 K83H-N 118.079 7.696 M84H-N 118.241 7.748 Q85H-N 117.242 7.843 Q85HE21-NE2 112.034 6.624 Q85HE22-NE2 112.034 6.483 I86H-N 119.178 7.715 Q87H-N 121.386 8.164 Q87HE21-NE2 112.687 7.606 Q87HE22-NE2 112.687 6.934 C88H-N 118.663 8.238 A89H-N 127.014 8.249 D91H-N 119.209 8.429 L92H-N 122.571 8.208 A93H-N 123.131 8.305 T94H-N 112.097 7.994 R95H-N 122.704 8.211 R95HE-NE 84.345 7.232 S96H-N 116.39 8.365 H97H-N 120.507 8.541 S98H-N 116.801 8.455 G99H-N 111.114 8.597 S100H-N 115.398 8.311 D101H-N 121.81 8.38 F102H-N 120.706 8.249 S103H-N 116.992 8.167 F104H-N 122.0 8.17 R105H-N 124.796 8.101 I107H-N 121.38 8.35 E108H-N 124.836 8.578 E109H-N 122.847 8.459 A110H-N 131.124 8.096