Assignment w1 w2 A3H-N 124.48 8.714 K4H-N 120.988 8.227 F5H-N 119.246 7.719 E6H-N 122.193 8.515 V7H-N 122.949 8.636 G8H-N 116.837 9.394 S9H-N 118.208 8.021 V10H-N 121.118 7.945 Y11H-N 125.043 9.008 T12H-N 116.85 8.809 G13H-N 113.654 9.179 K14H-N 118.322 7.77 V15H-N 125.308 9.206 T16H-N 121.753 9.403 G17H-N 109.407 7.6 L18H-N 123.419 8.82 Q19H-N 120.187 8.537 Q19HE21-NE2 111.658 7.22 Q19HE22-NE2 111.658 6.802 A20H-N 120.606 8.798 Y21H-N 105.57 6.618 G22H-N 109.854 7.203 A23H-N 118.749 8.549 F24H-N 122.891 8.812 V25H-N 122.908 8.88 A26H-N 129.425 9.403 L27H-N 127.169 8.601 D28H-N 115.657 8.172 E29H-N 114.738 8.857 E30H-N 115.753 8.326 T31H-N 118.75 7.819 Q32H-N 127.294 8.913 Q32HE21-NE2 111.247 7.378 Q32HE22-NE2 111.247 6.518 G33H-N 107.639 8.9 L34H-N 120.897 8.127 V35H-N 128.897 9.386 H36H-N 127.751 9.194 I37H-N 126.266 7.454 S38H-N 118.079 8.343 E39H-N 118.349 8.536 V40H-N 125.443 7.776 T41H-N 109.905 7.888 H42H-N 121.76 8.063 G43H-N 110.133 8.286 F44H-N 120.049 8.327 V45H-N 127.882 7.939 K46H-N 127.308 8.868 D47H-N 117.932 7.652 I48H-N 129.049 9.23 N49H-N 118.835 8.468 N49HD21-ND2 115.616 6.857 N49HD22-ND2 115.616 8.257 E50H-N 116.358 7.853 H51H-N 115.828 7.575 L52H-N 117.932 7.64 S53H-N 113.496 8.151 V54H-N 124.401 8.782 G55H-N 117.32 9.079 D56H-N 121.782 7.943 E57H-N 122.513 8.649 V58H-N 118.382 8.809 Q59H-N 120.933 8.255 V60H-N 111.046 8.97 K61H-N 121.93 8.937 V62H-N 126.329 8.429 L63H-N 129.436 9.109 A64H-N 117.791 7.594 V65H-N 120.009 8.583 D66H-N 126.262 8.567 E67H-N 125.48 9.148 E68H-N 119.76 8.384 K69H-N 115.476 7.799 G70H-N 110.245 7.994 K71H-N 118.201 7.56 I72H-N 126.827 8.867 S73H-N 123.64 8.815 L74H-N 125.221 8.585 S75H-N 111.252 8.84 I76H-N 129.205 7.79 R77H-N 123.257 8.115 A78H-N 118.764 8.304 T79H-N 107.36 7.931 Q80H-N 121.588 7.651 Q80HE21-NE2 111.543 7.466 Q80HE22-NE2 111.543 6.899 A81H-N 126.423 8.498 A82H-N 125.114 8.324 E84H-N 121.479 8.517 K85H-N 123.266 8.381 K86H-N 123.688 8.403 E87H-N 122.633 8.54 S88H-N 118.333 8.52 K89H-N 124.433 8.339 R91H-N 122.193 8.502 K92H-N 124.243 8.415 K94H-N 122.121 8.42 A95H-N 125.624 8.348 A96H-N 125.624 8.348 Q97H-N 120.049 8.333 Q97HE21-NE2 112.699 7.564 Q97HE22-NE2 112.699 6.89 V98H-N 121.607 8.23 S99H-N 119.455 8.375 E100H-N 123.419 8.547 E101H-N 122.025 8.432 A102H-N 125.114 8.324 S103H-N 115.109 8.259 T104H-N 117.882 8.127 Q106H-N 120.754 8.524 G107H-N 110.026 8.394 F108H-N 120.18 8.099 N109H-N 120.752 8.482 N109HD21-ND2 112.889 6.928 N109HD22-ND2 112.889 7.471 T110H-N 114.601 8.112 L111H-N 123.756 8.168 K112H-N 121.442 8.123 D113H-N 120.598 8.23 K114H-N 120.897 8.127 L115H-N 123.251 8.244 E116H-N 120.575 8.421 E117H-N 120.933 8.255 W118H-N 121.592 8.143 I119H-N 122.744 7.908 E120H-N 123.139 8.143 M121H-N 120.449 8.254 S122H-N 115.857 8.199 N123H-N 119.923 8.211 N123HD21-ND2 112.889 6.92 N123HD22-ND2 112.889 7.47 R124H-N 120.821 7.997 K125H-N 121.891 8.327 D126H-N 119.814 8.343 L127H-N 121.432 7.946 I128H-N 121.579 7.967 K129H-N 126.955 8.331 K130H-N 129.205 8.013