Assignment w1 w2 S19H-N 114.386 8.436 A20H-N 125.18 8.484 S21H-N 115.714 8.487 G22H-N 111.509 8.198 S23H-N 116.191 8.494 V24H-N 121.656 7.83 S25H-N 119.323 9.065 I26H-N 119.468 8.295 E27H-N 129.726 8.393 E28H-N 117.076 7.489 I29H-N 122.183 8.126 D30H-N 123.205 6.704 L31H-N 128.551 9.012 E32H-N 115.101 7.588 G33H-N 106.299 7.372 K34H-N 118.744 9.547 F35H-N 109.125 6.74 V36H-N 119.579 7.628 Q37H-N 126.831 8.392 Q37HE21-NE2 109.593 6.391 Q37HE22-NE2 109.593 6.669 L38H-N 123.018 9.103 K39H-N 118.983 8.496 N40H-N 121.758 8.283 N40HD21-ND2 110.81 6.523 N40HD22-ND2 110.81 7.813 N41H-N 122.422 8.681 N41HD21-ND2 116.551 7.215 N41HD22-ND2 116.551 7.611 S42H-N 116.446 8.37 D43H-N 117.706 8.254 K44H-N 120.209 8.305 D45H-N 124.993 8.722 Q46H-N 120.549 7.878 Q46HE21-NE2 115.455 7.159 Q46HE22-NE2 115.455 7.453 S47H-N 121.537 8.748 L48H-N 127.751 7.856 G49H-N 107.525 7.728 N50H-N 117.059 7.552 N50HD21-ND2 113.551 6.907 N50HD22-ND2 113.551 7.515 W51H-N 122.166 8.914 W51HE1-NE1 129.189 9.957 R52H-N 116.48 9.147 I53H-N 119.579 9.0 K54H-N 124.737 9.678 R55H-N 124.09 9.314 Q56H-N 126.576 8.831 Q56HE21-NE2 111.505 6.821 Q56HE22-NE2 111.505 7.713 V57H-N 126.712 8.786 L58H-N 127.274 8.316 E59H-N 119.647 8.636 G60H-N 108.819 8.16 E61H-N 121.009 8.32 E62H-N 123.426 8.594 I63H-N 119.732 8.523 A64H-N 122.166 8.741 Y65H-N 126.729 8.462 K66H-N 128.108 7.01 F67H-N 125.299 8.509 T68H-N 116.191 8.688 K70H-N 113.552 8.016 Y71H-N 121.86 7.46 I72H-N 129.487 7.168 L73H-N 128.278 8.483 R74H-N 129.589 8.673 A75H-N 123.205 8.564 G76H-N 112.241 7.381 Q77H-N 117.382 7.996 Q77HE21-NE2 114.582 6.888 Q77HE22-NE2 114.582 7.397 M78H-N 116.957 8.092 V79H-N 119.34 8.534 T80H-N 124.533 8.301 V81H-N 127.002 8.796 W82H-N 131.479 9.924 W82HE1-NE1 130.33 10.332 A83H-N 123.954 9.048 A84H-N 125.146 8.341 G85H-N 103.388 7.996 A86H-N 120.14 7.474 G87H-N 105.72 7.779 V88H-N 121.537 7.499 A89H-N 128.295 7.96 H90H-N 122.643 8.394 S91H-N 121.247 8.569 S94H-N 117.212 8.463 T95H-N 121.588 7.631 L96H-N 127.274 8.977 V97H-N 124.056 10.724 W98H-N 132.586 9.4 W98HE1-NE1 126.312 9.805 K99H-N 126.644 8.153 G100H-N 110.385 8.363 Q101H-N 121.162 6.815 Q101HE21-NE2 111.565 6.556 Q101HE22-NE2 111.565 6.806 S102H-N 122.728 8.662 S103H-N 110.811 7.134 W104H-N 126.133 9.764 W104HE1-NE1 124.541 9.066 G105H-N 105.907 8.095 T106H-N 111.253 7.913 G107H-N 107.712 7.533 E108H-N 118.864 8.558 S109H-N 110.419 7.62 F110H-N 118.778 8.318 V113H-N 124.771 9.38 L114H-N 128.789 8.948 V115H-N 127.002 9.564 N116H-N 121.179 8.016 N116HD21-ND2 112.855 7.249 N116HD22-ND2 112.855 7.459 A117H-N 119.834 6.444 D118H-N 115.646 7.181 G119H-N 107.167 7.738 E120H-N 121.196 7.587 E121H-N 123.886 8.697 V122H-N 120.055 8.845 A123H-N 122.098 7.788 M124H-N 118.217 8.693 R125H-N 122.132 8.919 V127H-N 124.976 8.127 K128H-N 125.384 8.289 K129H-N 124.005 8.461 S130H-N 117.195 8.465 S131H-N 118.149 8.336 V132H-N 121.332 7.982 M133H-N 124.022 8.295 R134H-N 122.677 8.295 E135H-N 121.945 8.47 N136H-N 118.761 8.341 N136HD21-ND2 113.271 6.855 N136HD22-ND2 113.271 7.547 E137H-N 121.349 8.349 N138H-N 118.761 8.397 N138HD21-ND2 112.801 6.852 N138HD22-ND2 112.801 7.478 G139H-N 115.305 7.865