Assignment w1 w2 N3H-N 120.481 8.529 N4H-N 119.575 8.437 Q5H-N 120.111 8.309 G6H-N 109.548 8.352 N7H-N 118.594 8.287 G8H-N 109.302 8.423 Q9H-N 119.434 8.171 G10H-N 109.533 8.377 H11H-N 118.172 8.232 N12H-N 119.691 8.456 N15H-N 118.147 8.392 D16H-N 121.889 8.064 N18H-N 117.273 8.425 R19H-N 120.614 7.78 N20H-N 120.379 8.387 V21H-N 120.118 8.018 D22H-N 123.452 8.27 E23H-N 122.406 8.408 N24H-N 118.687 8.365 A25H-N 123.896 8.017 N26H-N 116.878 8.237 A27H-N 123.9 8.042 N28H-N 117.025 8.272 S29H-N 115.861 8.044 A30H-N 125.578 8.166 V31H-N 118.754 7.865 K32H-N 124.788 8.211 N33H-N 119.932 8.341 N34H-N 119.405 8.359 S40H-N 117.875 8.432 D41H-N 120.859 8.686 K42H-N 119.542 8.051 H43H-N 119.356 7.898 I44H-N 119.826 8.15 K45H-N 119.232 8.373 E46H-N 118.749 8.185 Y47H-N 122.144 8.04 L48H-N 118.23 8.44 N49H-N 114.189 7.634 K50H-N 120.387 7.727 I51H-N 111.181 7.667 Q52H-N 121.874 7.199 N53H-N 114.245 8.502 S54H-N 113.773 8.235 L55H-N 124.881 7.239 S56H-N 120.312 8.864 T57H-N 108.363 7.851 E58H-N 122.469 8.198 W59H-N 120.406 8.03 W59HE1-NE1 129.238 10.111 S60H-N 119.961 9.055 V64H-N 112.675 6.829 T65H-N 108.017 8.459 C66H-N 116.266 7.394 G67H-N 111.603 8.461 N68H-N 118.322 8.219 N68HD21-ND2 111.618 6.686 N68HD22-ND2 111.618 7.304 G69H-N 111.835 8.815 I70H-N 121.618 9.492 Q71H-N 120.698 8.876 V72H-N 111.437 8.768 R73H-N 117.389 8.514 I74H-N 121.838 8.183 K75H-N 127.103 8.215 G77H-N 104.625 8.628 S78H-N 116.101 8.071 A79H-N 121.359 7.176 N80H-N 112.852 8.308 K81H-N 122.467 7.266 K83H-N 122.624 8.538 D84H-N 114.237 8.425 E85H-N 117.294 7.733 L86H-N 119.871 6.993 D87H-N 125.276 9.932 Y88H-N 127.108 8.969 A89H-N 118.471 8.073 N90H-N 112.974 7.813 N90HD21-ND2 115.527 6.872 N90HD22-ND2 115.527 7.833 D91H-N 115.362 8.757 I92H-N 116.516 6.746 E93H-N 127.752 9.159 K94H-N 119.702 8.659 K95H-N 119.855 8.813 I96H-N 122.6 8.342 C97H-N 122.236 8.229 K98H-N 123.379 8.313 M99H-N 124.233 8.326 E100H-N 119.607 8.223 K101H-N 121.974 8.412 C102H-N 121.751 8.842 S103H-N 117.315 8.538 S104H-N 117.896 8.248 V105H-N 120.644 7.873 F106H-N 122.715 8.062 N107H-N 120.687 8.154 V108H-N 120.71 7.953 V109H-N 123.727 8.12 N110H-N 122.414 8.405 S111H-N 116.799 8.249 S112H-N 117.728 8.344 E113H-N 121.947 8.222 N114H-N 118.805 8.204 L115H-N 121.934 7.973 Y116H-N 119.393 7.929 F117H-N 120.602 7.873 Q118H-N 121.394 8.099 S119H-N 116.526 8.181 G120H-N 110.714 8.342 G121H-N 108.078 8.135