Assignment w1 w2 R2H-N 124.0 8.186 I4H-N 122.8 8.07 F5H-N 129.0 9.303 A6H-N 124.7 8.476 I7H-N 127.5 10.59 E8H-N 119.6 8.858 Q9H-N 115.1 7.794 Q9HE21-NE2 112.9 7.719 Q9HE22-NE2 112.9 6.812 L10H-N 119.0 7.366 S11H-N 115.1 7.74 Y13H-N 115.4 7.423 Q14H-N 119.1 7.18 Q14HE21-NE2 111.0 7.5 Q14HE22-NE2 111.0 6.772 N15H-N 123.3 8.412 N15HD21-ND2 112.5 7.57 N15HD22-ND2 112.5 6.89 V16H-N 120.1 8.028 W17H-N 120.2 7.044 W17HE1-NE1 130.3 10.08 T18H-N 117.4 7.884 I19H-N 119.2 9.194 K20H-N 125.0 9.308 A21H-N 127.0 9.105 R22H-N 122.5 9.29 V23H-N 124.8 8.583 S24H-N 126.6 8.64 Y25H-N 122.7 7.341 K26H-N 129.5 8.4 G27H-N 116.0 8.197 E28H-N 117.3 8.196 I29H-N 122.6 8.615 K30H-N 129.9 9.134 T31H-N 115.2 8.508 W32H-N 122.8 8.166 W32HE1-NE1 129.2 9.945 Q35H-N 121.1 8.335 R36H-N 117.1 8.312 G37H-N 108.9 7.808 D38H-N 120.0 8.14 G39H-N 108.6 7.619 K40H-N 118.3 8.144 L41H-N 121.7 9.323 F42H-N 122.3 8.408 N43H-N 123.2 8.183 N43HD21-ND2 112.8 7.411 N43HD22-ND2 112.8 6.585 V44H-N 114.6 8.514 N45H-N 120.1 8.516 N45HD21-ND2 108.7 7.197 N45HD22-ND2 108.7 6.693 F46H-N 118.6 9.016 L47H-N 123.6 9.614 D48H-N 129.4 9.328 T49H-N 107.9 8.079 S50H-N 119.4 9.413 G51H-N 111.8 7.815 E52H-N 119.4 7.755 I53H-N 124.2 9.327 R54H-N 129.2 8.98 A55H-N 126.8 9.455 T56H-N 114.9 8.369 A57H-N 125.8 8.575 F58H-N 119.1 9.314 N59H-N 121.0 9.612 N59HD21-ND2 112.9 7.521 N59HD22-ND2 112.9 6.828 F61H-N 117.1 8.14 A62H-N 124.7 7.359 T63H-N 111.3 7.06 K64H-N 119.6 7.374 F65H-N 114.4 8.367 I68H-N 115.0 6.984 L69H-N 117.6 7.638 Q70H-N 120.3 8.424 Q70HE21-NE2 112.8 7.189 Q70HE22-NE2 112.8 6.903 E71H-N 123.1 8.956 G72H-N 112.9 9.162 K73H-N 120.7 7.589 V74H-N 120.2 7.991 Y75H-N 123.0 8.927 Y76H-N 119.0 9.267 V77H-N 123.3 8.546 S78H-N 118.3 8.516 K79H-N 115.1 7.652 A80H-N 118.7 6.102 K81H-N 119.8 8.101 L82H-N 124.9 8.661 Q83H-N 120.6 9.032 Q83HE21-NE2 111.4 7.546 Q83HE22-NE2 111.4 6.748 A85H-N 125.7 8.326 K86H-N 121.1 8.34 Q88H-N 118.9 8.974 T90H-N 110.3 7.64 N91H-N 117.2 8.499 N91HD21-ND2 112.5 7.447 N91HD22-ND2 112.5 6.763 L92H-N 119.9 7.964 T93H-N 111.9 8.404 H94H-N 127.1 7.649 Y96H-N 122.1 11.13 E97H-N 115.8 9.039 L98H-N 117.2 9.028 N99H-N 121.8 9.337 N99HD21-ND2 109.0 7.179 N99HD22-ND2 109.0 6.837 L100H-N 124.4 8.575 D101H-N 127.0 8.484 R102H-N 116.4 7.546 D103H-N 117.7 7.969 T104H-N 115.9 7.535 V105H-N 129.1 8.581 I106H-N 127.5 8.63 E107H-N 127.1 9.079 E108H-N 126.8 9.272 C109H-N 124.6 8.267 F110H-N 127.4 8.77 D111H-N 121.6 8.143 E112H-N 121.3 8.448 S113H-N 116.4 8.329 N114H-N 120.3 8.27