Assignment w1 w2 E3H-N 121.382 8.519 K4H-N 122.422 8.375 I5H-N 123.002 8.17 K6H-N 126.164 8.378 T7H-N 113.755 8.76 A8H-N 122.613 9.055 H9H-N 113.971 8.224 D10H-N 119.358 7.584 L11H-N 121.453 8.16 I12H-N 118.892 8.3 D13H-N 118.692 7.464 E14H-N 120.082 7.659 I15H-N 121.052 8.406 I16H-N 118.906 8.36 Q17H-N 120.201 7.683 Q17HE21-NE2 112.88 7.552 Q17HE22-NE2 112.88 6.799 D18H-N 120.391 7.738 V19H-N 122.076 8.379 I20H-N 118.995 8.01 Q21H-N 116.692 7.329 Q21HE21-NE2 112.636 7.511 Q21HE22-NE2 112.636 6.871 L22H-N 119.438 7.69 D23H-N 117.502 7.125 G24H-N 114.399 9.325 K25H-N 122.878 8.366 L26H-N 118.95 7.77 G27H-N 109.196 8.441 L28H-N 122.938 8.57 L29H-N 119.485 8.026 G30H-N 107.558 8.058 G31H-N 108.55 8.343 N32H-N 118.723 8.419 N32HD21-ND2 113.441 7.615 N32HD22-ND2 113.441 7.354 T33H-N 116.114 8.73 R34H-N 124.981 8.813 R34HE-NE 119.562 9.382 Q35H-N 121.069 8.398 Q35HE21-NE2 112.187 7.545 Q35HE22-NE2 112.187 6.812 L36H-N 125.248 9.181 E37H-N 121.881 9.371 D38H-N 115.106 7.73 G39H-N 108.22 7.98 R40H-N 122.692 7.995 R40HE-NE 118.482 7.832 V41H-N 123.981 8.453 I42H-N 120.763 8.841 N43H-N 122.191 8.889 N43HD21-ND2 110.907 7.525 N43HD22-ND2 110.907 6.57 I44H-N 115.063 8.669 N46H-N 119.774 8.961 N46HD21-ND2 111.901 7.674 N46HD22-ND2 111.901 7.005 G47H-N 108.263 8.592 A48H-N 122.763 7.038 A49H-N 121.875 8.582 M50H-N 117.391 8.024 I51H-N 122.101 7.998 F52H-N 122.573 8.841 D53H-N 120.866 8.687 D54H-N 122.687 7.808 Y55H-N 123.172 8.095 K56H-N 119.916 8.307 K57H-N 118.157 7.659 Y58H-N 122.133 7.989 K59H-N 123.236 8.538 Q60H-N 115.383 7.753 Q60HE21-NE2 110.805 7.39 Q60HE22-NE2 110.805 6.795 G61H-N 107.776 7.862 E62H-N 118.951 8.23 L63H-N 116.035 6.918 T64H-N 111.093 8.135 A65H-N 123.434 9.3 E66H-N 115.156 8.908 S67H-N 115.977 7.929 A68H-N 125.398 8.819 L69H-N 118.704 8.441 E70H-N 116.795 7.841 S71H-N 113.576 7.616 M72H-N 120.08 8.553 I73H-N 118.958 8.366 K74H-N 119.648 7.662 I75H-N 119.951 8.33 A76H-N 125.136 8.486 K77H-N 117.96 8.682 L78H-N 120.352 8.062 S79H-N 115.462 8.189 N80H-N 119.397 8.076 N80HD21-ND2 111.316 7.722 N80HD22-ND2 111.316 6.336 Q81H-N 118.725 7.707 Q81HE21-NE2 111.41 7.417 Q81HE22-NE2 111.41 6.847 L82H-N 120.357 8.119 N83H-N 116.928 7.988 N83HD21-ND2 112.4 7.776 N83HD22-ND2 112.4 6.798 R84H-N 119.914 7.826 R84HE-NE 118.238 7.255 T86H-N 112.93 7.769 F87H-N 120.926 8.315 F88H-N 120.3 8.148 N89H-N 117.887 8.318 N89HD21-ND2 111.92 7.602 N89HD22-ND2 111.92 6.941 Q90H-N 118.063 8.032 Q90HE21-NE2 111.938 7.52 Q90HE22-NE2 111.938 6.838 R91H-N 119.049 7.975 R91HE-NE 118.238 7.351 Q92H-N 120.44 8.352 Q92HE21-NE2 112.896 7.719 Q92HE22-NE2 112.896 6.993 E94H-N 119.087 9.503 T95H-N 117.459 7.871 G96H-N 108.078 8.043 Q97H-N 120.1 8.113 Q97HE21-NE2 111.398 7.478 Q97HE22-NE2 111.398 6.87 F98H-N 121.584 7.705 Y99H-N 116.999 7.983 K100H-N 117.995 7.968 K101H-N 119.982 7.786 V102H-N 119.079 7.826 A103H-N 116.9 8.03 A104H-N 117.183 7.044 I105H-N 122.126 7.382 D106H-N 125.809 8.253 L107H-N 124.528 8.171 Q108H-N 126.431 7.971 Q108HE21-NE2 112.823 7.668 Q108HE22-NE2 112.823 6.766