Assignment w1 w2 Q19H-N 120.9 8.092 Q19HE21-NE2 112.8 6.79 Q19HE22-NE2 112.8 7.391 M20H-N 119.321 8.141 L21H-N 120.751 7.853 L22H-N 119.338 7.749 N23H-N 116.971 8.125 N23HD21-ND2 112.6 6.975 N23HD22-ND2 112.6 7.532 L25H-N 119.321 8.219 R26H-N 123.628 8.426 E27H-N 119.942 7.937 I28H-N 116.784 8.051 T29H-N 106.365 7.805 G30H-N 111.608 8.245 I31H-N 123.492 7.762 Q32H-N 121.611 8.242 Q32HE21-NE2 112.9 6.823 Q32HE22-NE2 112.9 7.142 D33H-N 120.496 7.243 S35H-N 115.116 8.305 F36H-N 122.028 7.444 L37H-N 118.095 7.556 H38H-N 117.193 8.393 E39H-N 118.146 7.964 A40H-N 122.266 7.778 L41H-N 119.117 7.928 K42H-N 121.1 8.243 S44H-N 110.893 7.549 N45H-N 119.823 8.002 N45HD21-ND2 112.6 6.805 N45HD22-ND2 112.6 7.532 G46H-N 103.908 8.471 D47H-N 120.087 7.296 I48H-N 127.885 8.592 T49H-N 117.057 7.855 Q50H-N 122.087 8.094 Q50HE21-NE2 111.1 6.766 Q50HE22-NE2 111.1 7.337 A51H-N 123.603 8.189 V52H-N 116.954 8.318 S53H-N 116.801 7.562 L54H-N 121.219 7.935 L55H-N 117.499 7.685 T56H-N 110.757 7.746 E58H-N 120.896 8.306 R59H-N 121.049 8.168 V60H-N 120.64 7.99 K61H-N 125.118 8.189 E62H-N 123.747 8.337 S64H-N 116.988 8.55 Q65H-N 122.3 8.436 Q65HE21-NE2 112.6 6.796 Q65HE22-NE2 112.6 7.512 D66H-N 121.372 8.32 T67H-N 114.605 8.034 V68H-N 123.007 8.077 A69H-N 128.259 8.359 T70H-N 114.026 8.072 E71H-N 124.786 8.341 S73H-N 115.967 8.381 E74H-N 122.845 8.373 V75H-N 120.828 8.047 E76H-N 125.024 8.427 G77H-N 110.485 8.426 S78H-N 115.729 8.148 A79H-N 126.046 8.329 A80H-N 122.547 8.095 N81H-N 117.329 8.167 N81HD21-ND2 113.4 6.865 N81HD22-ND2 113.4 7.632 K82H-N 121.713 8.14 E83H-N 121.577 8.295 V84H-N 121.372 8.034 L85H-N 125.416 8.142 A86H-N 124.386 8.084 K87H-N 120.419 8.067 V88H-N 122.139 8.085 I89H-N 124.777 8.141 D90H-N 124.752 8.306 L91H-N 123.918 8.317 T92H-N 113.379 8.16 H93H-N 120.674 8.131 D94H-N 121.645 8.252 N95H-N 119.474 8.367 N95HD21-ND2 112.9 6.889 N95HD22-ND2 112.9 7.566 K96H-N 121.611 8.303 D97H-N 120.606 8.249 D98H-N 120.742 8.132 L99H-N 122.377 8.08 Q100H-N 119.134 8.174 Q100HE21-NE2 112.6 6.796 Q100HE22-NE2 112.6 7.512 A101H-N 123.637 8.049 A102H-N 121.883 7.955 A104H-N 125.475 8.065 L105H-N 119.849 7.958 S106H-N 115.524 8.018 L107H-N 122.675 7.875 L108H-N 120.819 7.763 E109H-N 120.351 8.02 S110H-N 116.29 7.888 K112H-N 121.526 8.308 I113H-N 123.279 8.239 Q114H-N 124.752 8.401 A115H-N 126.148 8.363 D116H-N 119.423 8.269 G117H-N 109.293 8.308 R118H-N 120.266 8.054 D119H-N 120.691 8.336 L120H-N 122.905 8.146 N121H-N 118.146 8.367 N121HD21-ND2 112.7 6.851 N121HD22-ND2 112.7 7.532 R122H-N 120.419 8.0 M123H-N 120.419 8.192 H124H-N 119.5 8.222 A126H-N 125.16 8.342 T127H-N 113.107 8.084 S128H-N 118.402 8.203 A129H-N 131.647 7.964