Assignment w1 w2 D3H-N 124.201 8.264 I4H-N 124.288 8.722 Q5H-N 129.55 8.658 Q5HE21-NE2 113.0 7.519 Q5HE22-NE2 113.0 6.848 M6H-N 124.558 9.059 T7H-N 120.53 9.536 Q8H-N 132.232 9.563 S9H-N 120.738 8.905 S11H-N 115.768 9.164 S12H-N 115.659 7.777 L13H-N 124.521 8.702 S14H-N 119.919 8.517 A15H-N 128.057 8.592 S16H-N 116.893 8.635 V17H-N 123.112 8.57 G18H-N 118.071 10.019 D19H-N 122.25 8.066 R20H-N 120.872 8.232 V21H-N 125.438 8.631 T22H-N 119.745 8.143 I23H-N 127.194 9.453 T24H-N 116.658 9.15 C25H-N 121.068 9.301 Q26H-N 123.993 9.033 Q26HE21-NE2 113.512 8.102 Q26HE22-NE2 113.512 6.705 A27H-N 129.626 9.452 S28H-N 113.92 8.167 Q29H-N 116.557 7.408 Q29HE21-NE2 114.375 7.916 Q29HE22-NE2 114.375 6.813 D30H-N 117.814 8.086 I31H-N 123.944 8.792 S32H-N 115.964 8.972 N33H-N 120.034 7.498 N33HD21-ND2 110.1 7.165 N33HD22-ND2 110.1 6.646 Y34H-N 121.139 7.969 L35H-N 123.993 7.666 N36H-N 124.642 8.862 N36HD21-ND2 107.305 6.639 N36HD22-ND2 107.305 5.337 W37H-N 117.297 8.982 W37HE1-NE1 134.458 11.483 Y38H-N 119.638 9.428 Q39H-N 120.447 9.266 Q39HE21-NE2 112.96 8.009 Q39HE22-NE2 112.96 7.783 Q40H-N 129.689 9.465 Q40HE21-NE2 111.606 7.598 Q40HE22-NE2 111.606 6.69 K41H-N 131.568 8.988 G43H-N 112.825 8.835 K44H-N 119.308 7.838 A45H-N 123.689 8.321 K47H-N 123.588 8.868 L48H-N 129.956 8.865 L49H-N 124.671 8.888 I50H-N 117.128 7.27 Y51H-N 123.218 9.236 D52H-N 122.683 8.59 A53H-N 114.912 9.501 S54H-N 111.142 8.628 N55H-N 123.493 8.46 N55HD21-ND2 114.647 6.467 N55HD22-ND2 114.647 7.23 L56H-N 125.278 8.62 E57H-N 125.719 8.188 T58H-N 120.135 8.861 G59H-N 115.341 9.002 V60H-N 125.031 7.663 S62H-N 113.945 8.394 R63H-N 116.209 6.917 F64H-N 121.992 7.65 S65H-N 112.0 8.362 G66H-N 107.351 8.599 S67H-N 114.24 8.987 G68H-N 111.818 8.397 S69H-N 109.747 6.995 G70H-N 113.732 9.182 T71H-N 112.684 8.197 D72H-N 122.024 7.169 F73H-N 122.325 8.835 T74H-N 116.293 9.01 F75H-N 129.404 9.055 T76H-N 122.615 8.321 I77H-N 123.894 8.394 S78H-N 121.937 9.129 S79H-N 113.394 6.108 L80H-N 128.18 8.964 Q81H-N 126.207 9.054 Q81HE21-NE2 114.426 6.884 Q81HE22-NE2 114.426 6.814 E83H-N 114.618 9.384 D84H-N 120.87 8.372 I85H-N 121.902 7.209 A86H-N 128.716 7.838 T87H-N 113.888 7.971 Y88H-N 125.229 8.806 H89H-N 120.908 9.033 C90H-N 110.904 7.219 Q91H-N 122.044 8.611 Q92H-N 125.845 8.448 Q92HE21-NE2 111.321 7.555 Q92HE22-NE2 111.321 7.223 Y93H-N 117.921 7.469 D94H-N 121.926 8.676 N95H-N 114.58 8.252 N95HD21-ND2 113.217 7.579 N95HD22-ND2 113.217 6.691 L96H-N 121.373 8.087 Y98H-N 121.956 7.925 T99H-N 112.943 7.338 F100H-N 118.749 8.801 G101H-N 107.685 8.741 G103H-N 106.723 7.048 T104H-N 116.932 8.066 K105H-N 129.548 8.264 L106H-N 129.544 8.545 E107H-N 123.375 8.695 I108H-N 120.426 8.197 K109H-N 129.439 8.364 R110H-N 130.775 8.147 D3H-N 124.201 8.264 I4H-N 124.288 8.722 Q5H-N 129.55 8.658 Q5HE21-NE2 113.0 7.519 Q5HE22-NE2 113.0 6.848 M6H-N 124.558 9.059 T7H-N 120.53 9.536 Q8H-N 132.232 9.563 S9H-N 120.738 8.905 S11H-N 115.768 9.164 S12H-N 115.659 7.777 L13H-N 124.521 8.702 S14H-N 119.919 8.517 A15H-N 128.057 8.592 S16H-N 116.893 8.635 V17H-N 123.112 8.57 G18H-N 118.071 10.019 D19H-N 122.25 8.066 R20H-N 120.872 8.232 V21H-N 125.438 8.631 T22H-N 119.745 8.143 I23H-N 127.194 9.453 T24H-N 116.658 9.15 C25H-N 121.068 9.301 Q26H-N 123.993 9.033 Q26HE21-NE2 113.512 8.102 Q26HE22-NE2 113.512 6.705 A27H-N 129.626 9.452 S28H-N 113.92 8.167 Q29H-N 116.557 7.408 Q29HE21-NE2 114.375 7.916 Q29HE22-NE2 114.375 6.813 D30H-N 117.814 8.086 I31H-N 123.944 8.792 S32H-N 115.964 8.972 N33H-N 120.034 7.498 N33HD21-ND2 110.1 7.165 N33HD22-ND2 110.1 6.646 Y34H-N 121.139 7.969 L35H-N 123.993 7.666 N36H-N 124.642 8.862 N36HD21-ND2 107.305 6.639 N36HD22-ND2 107.305 5.337 W37H-N 117.297 8.982 W37HE1-NE1 134.458 11.483 Y38H-N 119.638 9.428 Q39H-N 120.447 9.266 Q39HE21-NE2 112.96 8.009 Q39HE22-NE2 112.96 7.783 Q40H-N 129.689 9.465 Q40HE21-NE2 111.606 7.598 Q40HE22-NE2 111.606 6.69 K41H-N 131.568 8.988 G43H-N 112.825 8.835 K44H-N 119.308 7.838 A45H-N 123.689 8.321 K47H-N 123.588 8.868 L48H-N 129.956 8.865 L49H-N 124.671 8.888 I50H-N 117.128 7.27 Y51H-N 123.218 9.236 D52H-N 122.683 8.59 A53H-N 114.912 9.501 S54H-N 111.142 8.628 N55H-N 123.493 8.46 N55HD21-ND2 114.647 6.467 N55HD22-ND2 114.647 7.23 L56H-N 125.278 8.62 E57H-N 125.719 8.188 T58H-N 120.135 8.861 G59H-N 115.341 9.002 V60H-N 125.031 7.663 S62H-N 113.945 8.394 R63H-N 116.209 6.917 F64H-N 121.992 7.65 S65H-N 112.0 8.362 G66H-N 107.351 8.599 S67H-N 114.24 8.987 G68H-N 111.818 8.397 S69H-N 109.747 6.995 G70H-N 113.732 9.182 T71H-N 112.684 8.197 D72H-N 122.024 7.169 F73H-N 122.325 8.835 T74H-N 116.293 9.01 F75H-N 129.404 9.055 T76H-N 122.615 8.321 I77H-N 123.894 8.394 S78H-N 121.937 9.129 S79H-N 113.394 6.108 L80H-N 128.18 8.964 Q81H-N 126.207 9.054 Q81HE21-NE2 114.426 6.884 Q81HE22-NE2 114.426 6.814 E83H-N 114.618 9.384 D84H-N 120.87 8.372 I85H-N 121.902 7.209 A86H-N 128.716 7.838 T87H-N 113.888 7.971 Y88H-N 125.229 8.806 H89H-N 120.908 9.033 C90H-N 110.904 7.219 Q91H-N 122.044 8.611 Q92H-N 125.845 8.448 Q92HE21-NE2 111.321 7.555 Q92HE22-NE2 111.321 7.223 Y93H-N 117.921 7.469 D94H-N 121.926 8.676 N95H-N 114.58 8.252 N95HD21-ND2 113.217 7.579 N95HD22-ND2 113.217 6.691 L96H-N 121.373 8.087 Y98H-N 121.956 7.925 T99H-N 112.943 7.338 F100H-N 118.749 8.801 G101H-N 107.685 8.741 G103H-N 106.723 7.048 T104H-N 116.932 8.066 K105H-N 129.548 8.264 L106H-N 129.544 8.545 E107H-N 123.375 8.695 I108H-N 120.426 8.197 K109H-N 129.439 8.364 R110H-N 130.775 8.147