Assignment w1 w2 R2H-N 125.836 10.433 V3H-N 128.272 9.127 L4H-N 130.445 8.918 I5H-N 125.598 8.292 D6H-N 119.372 8.05 T7H-N 116.053 9.019 N8H-N 116.807 8.664 I9H-N 119.519 7.289 L10H-N 117.673 7.209 I11H-N 117.995 8.744 S12H-N 114.644 7.42 A13H-N 122.024 8.715 S14H-N 109.523 7.399 L15H-N 122.801 7.121 S16H-N 112.006 7.593 C17H-N 121.12 8.242 E18H-N 119.077 7.943 G19H-N 108.678 8.197 T20H-N 115.145 8.723 Y22H-N 116.341 7.523 Q23H-N 116.071 7.924 Q23HE21-NE2 111.4 7.472 Q23HE22-NE2 111.4 6.849 A24H-N 122.509 8.768 Y25H-N 119.442 8.116 I26H-N 116.678 8.098 K27H-N 121.813 8.053 A28H-N 121.832 8.345 V29H-N 100.194 6.876 T30H-N 119.295 7.272 H31H-N 128.845 8.965 N33H-N 125.994 9.086 N33HD21-ND2 111.71 7.663 N33HD22-ND2 111.71 7.06 H34H-N 118.977 8.541 G35H-N 116.515 9.322 M36H-N 121.231 8.976 V37H-N 113.176 8.82 C38H-N 120.143 9.613 D39H-N 126.509 8.894 Q40H-N 120.649 8.471 Q40HE21-NE2 111.13 7.701 Q40HE22-NE2 111.13 6.903 N41H-N 115.937 7.888 N41HD21-ND2 107.6 8.123 N41HD22-ND2 107.6 6.394 I42H-N 117.494 7.086 D43H-N 119.833 7.675 E44H-N 119.042 8.456 L45H-N 120.718 8.054 R46H-N 116.455 8.063 R46HE-NE 84.47 7.665 R47H-N 119.931 8.187 R47HE-NE 85.15 7.46 V48H-N 120.203 8.569 Y49H-N 120.67 8.184 N50H-N 114.036 8.126 N50HD21-ND2 111.84 7.51 N50HD22-ND2 111.84 6.901 R51H-N 115.146 7.628 K52H-N 116.132 8.535 F53H-N 116.269 7.989 H55H-N 116.048 8.93 K56H-N 120.208 8.29 I57H-N 120.786 7.436 Q58H-N 119.309 8.707 Q58HE21-NE2 112.49 7.594 Q58HE22-NE2 112.49 6.926 A59H-N 122.944 7.683 L60H-N 121.632 7.673 E61H-N 117.58 8.258 R62H-N 119.978 7.974 R62HE-NE 84.57 7.337 F63H-N 120.039 7.904 L64H-N 119.606 9.12 A65H-N 119.989 7.89 I66H-N 115.106 6.916 A67H-N 125.861 8.836 L68H-N 112.825 8.492 T69H-N 109.038 7.775 V70H-N 114.556 7.342 L71H-N 121.742 7.788 E72H-N 123.199 8.195 V73H-N 127.931 8.624 V74H-N 126.847 9.306 T76H-N 118.391 8.651 A78H-N 124.695 8.436 V79H-N 119.146 8.086 D80H-N 124.642 8.446 V81H-N 119.148 8.104 S82H-N 118.157 8.42 D83H-N 121.965 8.155 E84H-N 121.181 8.369 A85H-N 122.812 8.167 L86H-N 118.293 7.889 V87H-N 118.298 7.652 R88H-N 122.852 8.204 R88HE-NE 84.74 7.305 D89H-N 119.17 7.967 A90H-N 125.416 8.418 S91H-N 111.684 8.134 A92H-N 124.402 7.929 I95H-N 116.058 7.404 L96H-N 120.995 6.753 R97H-N 118.408 8.099 A98H-N 121.626 8.414 A99H-N 120.323 8.197 I100H-N 117.995 8.115 A101H-N 124.188 8.054 A102H-N 116.877 7.84 K103H-N 115.283 7.849 A104H-N 119.099 8.342 D105H-N 120.716 9.348 V106H-N 117.27 7.741 L107H-N 130.322 9.113 V108H-N 127.217 8.587 T109H-N 120.791 9.129 G110H-N 111.52 7.854 D111H-N 124.87 9.044 R112H-N 129.511 8.908 R112HE-NE 84.23 7.36 D113H-N 117.862 8.373 F114H-N 116.341 7.504 L115H-N 121.751 8.378 E116H-N 115.169 7.987 S117H-N 114.712 7.44 G118H-N 110.946 8.532 I119H-N 122.733 7.659 T120H-N 115.46 8.575 N121H-N 120.503 6.874 N121HD21-ND2 111.59 7.54 N121HD22-ND2 111.59 6.819 K123H-N 116.458 7.427 I124H-N 128.799 8.779 V125H-N 119.649 8.756 T126H-N 109.659 8.289 A127H-N 122.11 8.812 A128H-N 117.018 8.379 E129H-N 118.281 7.71 F130H-N 120.932 8.921 L131H-N 116.868 7.834 Q132H-N 115.6 7.274 Q132HE21-NE2 111.69 7.429 Q132HE22-NE2 111.69 6.771 M133H-N 119.692 7.462 E134H-N 122.197 8.361 L135H-N 122.456 8.081 E136H-N 119.847 8.114 H137H-N 119.103 8.32 H138H-N 119.556 8.403 H142H-N 125.334 8.264