Assignment w1 w2 S4H-N 118.058 8.499 G13H-N 110.599 8.585 V15H-N 122.046 8.097 R17H-N 121.931 8.477 G18H-N 110.391 8.495 S19H-N 115.617 8.25 H20H-N 120.586 8.463 M21H-N 120.962 8.268 I22H-N 121.788 8.164 S23H-N 119.288 8.339 L24H-N 124.871 8.418 S25H-N 115.538 8.247 G26H-N 110.574 8.354 L27H-N 121.169 8.028 T28H-N 114.154 8.156 S29H-N 117.717 8.289 S30H-N 117.982 8.396 V31H-N 121.063 8.151 E32H-N 123.769 8.474 S33H-N 116.215 8.279 D34H-N 122.645 8.372 L35H-N 121.885 8.095 D36H-N 120.31 8.227 M37H-N 120.625 8.227 Q38H-N 119.73 8.282 Q38HE21-NE2 111.777 6.867 Q38HE22-NE2 111.777 7.553 Q39H-N 119.327 8.234 Q39HE21-NE2 112.534 6.833 Q39HE22-NE2 112.534 7.529 A40H-N 123.319 8.154 M41H-N 117.433 8.049 L42H-N 121.053 7.98 T43H-N 112.514 7.943 N44H-N 119.187 8.27 N44HD21-ND2 111.768 6.866 N44HD22-ND2 111.768 7.558 K45H-N 119.278 8.062 D46H-N 121.063 7.914 E47H-N 124.733 8.735 K48H-N 118.493 8.144 V49H-N 120.047 7.431 L50H-N 118.248 7.981 K51H-N 117.27 7.724 A52H-N 122.898 7.168 L53H-N 115.526 8.038 E54H-N 117.806 8.115 R55H-N 117.88 7.007 R55HE-NE 85.22 6.761 T56H-N 112.234 8.361 R57H-N 123.229 9.162 R57HE-NE 84.78 8.524 Q58H-N 119.776 7.467 Q58HE21-NE2 111.082 7.436 Q58HE22-NE2 111.082 6.823 L59H-N 118.787 7.173 D60H-N 115.825 8.066 I61H-N 120.267 7.664 D63H-N 126.457 9.12 E64H-N 115.267 9.287 K65H-N 118.245 7.572 T66H-N 116.775 7.706 M67H-N 117.02 8.364 V69H-N 117.927 6.633 L70H-N 121.026 8.696 M71H-N 114.223 8.329 K72H-N 121.108 7.414 L73H-N 120.323 8.518 L74H-N 119.386 8.399 E75H-N 120.06 7.73 E76H-N 121.252 8.355 A77H-N 118.984 7.971 G78H-N 110.457 7.92 G79H-N 105.048 8.844 N80H-N 116.845 6.942 N80HD21-ND2 112.414 7.791 N80HD22-ND2 112.414 7.142 W81H-N 126.207 8.76 W81HE1-NE1 130.295 10.367 S82H-N 114.929 8.426 Y83H-N 119.746 7.696 I84H-N 119.234 7.215 K85H-N 111.76 7.624 L86H-N 121.402 6.779 D87H-N 122.978 9.095 N88H-N 118.934 8.844 N88HD21-ND2 110.016 7.029 N88HD22-ND2 110.016 7.617 Y89H-N 109.982 7.332 T90H-N 117.043 7.507 A91H-N 120.752 9.605 L92H-N 116.482 6.919 V93H-N 119.151 7.911 D94H-N 117.315 8.729 A95H-N 121.649 7.553 I96H-N 120.722 8.175 Y97H-N 118.055 8.08 S98H-N 114.959 7.986 V99H-N 120.86 7.602 E100H-N 122.467 8.1 D101H-N 120.954 8.242 E102H-N 121.339 8.342 N103H-N 118.748 8.397 N103HD21-ND2 113.27 7.662 N103HD22-ND2 113.27 6.924 K104H-N 121.455 8.057 Q105H-N 121.145 8.369 Q105HE21-NE2 112.161 6.833 Q105HE22-NE2 112.161 7.527 S106H-N 116.922 8.326 E107H-N 122.942 8.467 G108H-N 110.489 8.432 S109H-N 121.116 7.877