Assignment w1 w2 S3H-N 118.562 8.587 L4H-N 124.109 8.362 Q5H-N 120.695 8.318 N6H-N 120.033 8.452 N7H-N 119.486 8.457 Q8H-N 120.265 8.382 D9H-N 121.75 8.37 V10H-N 120.176 8.064 S11H-N 119.297 8.356 F12H-N 122.672 8.297 E13H-N 121.389 8.328 N14H-N 119.31 8.317 N14HD21-ND2 113.03 6.923 N14HD22-ND2 113.03 7.581 I15H-N 121.489 7.967 Q16H-N 124.087 8.322 Q16HE21-NE2 112.821 7.416 Q16HE22-NE2 112.821 6.829 W17H-N 122.663 8.048 S18H-N 117.082 8.139 I19H-N 121.98 8.021 D20H-N 125.72 8.403 G22H-N 108.282 8.564 A23H-N 123.894 7.924 D24H-N 119.7 8.39 L25H-N 124.309 8.386 S26H-N 115.215 8.336 Q27H-N 121.172 8.268 Q27HE21-NE2 112.4 7.389 Q27HE22-NE2 112.4 6.829 Y28H-N 117.153 7.79 K29H-N 121.144 7.185 M30H-N 128.446 8.644 D31H-N 126.588 8.509 V32H-N 125.608 8.423 T33H-N 124.804 8.941 V34H-N 127.344 8.964 I35H-N 131.055 9.508 D36H-N 125.358 8.68 T37H-N 117.009 8.672 K38H-N 122.296 8.332 D39H-N 119.281 7.616 G40H-N 111.298 8.5 S41H-N 116.703 8.401 Q42H-N 120.91 8.383 Q42HE21-NE2 112.461 7.528 Q42HE22-NE2 112.461 6.85 S43H-N 116.388 8.283 K44H-N 122.786 8.333 L45H-N 122.889 8.189 G46H-N 110.183 8.427 S50H-N 113.099 7.199 H53H-N 118.785 8.34 M54H-N 121.909 8.486 G55H-N 110.377 8.374 S56H-N 115.9 8.323 G57H-N 111.08 8.537 G58H-N 108.709 8.221 L59H-N 121.466 8.063 S60H-N 116.126 8.091 W61H-N 120.927 7.634 W61HE1-NE1 129.81 10.172 K62H-N 121.491 8.745 R63H-N 122.181 8.365 R63HE-NE 84.616 7.245 C64H-N 125.532 8.609 A65H-N 133.632 8.821 G66H-N 111.717 9.059 C67H-N 118.771 8.185 G68H-N 114.15 8.093 G69H-N 112.302 9.134 K70H-N 120.612 8.529 I71H-N 124.186 8.602 A72H-N 133.155 9.399 D73H-N 118.79 6.772 R74H-N 120.595 8.53 R74HE-NE 87.524 8.053 F75H-N 115.183 8.2 L76H-N 120.283 9.091 L77H-N 118.295 8.781 Y78H-N 122.992 9.309 A79H-N 128.412 8.891 M80H-N 123.706 9.856 D81H-N 113.715 8.575 S82H-N 129.291 9.557 Y83H-N 120.111 8.564 W84H-N 117.193 9.125 H85H-N 121.889 9.254 S86H-N 121.736 10.027 R87H-N 114.218 7.984 R87HE-NE 85.102 7.092 C88H-N 117.698 7.827 L89H-N 123.299 7.032 K90H-N 126.212 7.445 C91H-N 121.476 8.666 S92H-N 127.344 10.072 S93H-N 116.829 8.917 C94H-N 118.751 8.187 Q95H-N 115.588 7.961 Q95HE21-NE2 113.51 7.225 Q95HE22-NE2 113.51 6.681 A96H-N 124.209 8.861 Q97H-N 119.691 8.647 Q97HE21-NE2 112.573 7.845 Q97HE22-NE2 112.573 7.073 L98H-N 124.25 8.404 G99H-N 107.195 8.601 D100H-N 119.478 7.697 I101H-N 122.331 8.291 G102H-N 112.94 8.769 T103H-N 115.884 7.727 S104H-N 121.892 8.774 S105H-N 117.591 8.369 Y106H-N 119.198 8.934 T107H-N 113.586 8.914 K108H-N 126.514 7.758 S109H-N 120.009 9.245 G110H-N 105.489 8.802 M111H-N 119.41 7.996 I112H-N 124.89 8.443 L113H-N 127.838 9.473 C114H-N 119.491 8.983 R115H-N 121.35 8.957 R115HE-NE 85.125 7.259 N116H-N 115.783 8.518 N116HD21-ND2 113.1 7.005 N116HD22-ND2 113.1 7.715 D117H-N 121.298 9.042 Y118H-N 122.878 8.958 I119H-N 118.676 8.28 R120H-N 120.302 7.815 R120HE-NE 113.331 7.21 L121H-N 116.624 7.694 F122H-N 115.413 8.114 G123H-N 116.572 7.803