Assignment w1 w2 S2H-N 114.071 8.153 K3H-N 125.143 8.081 T4H-N 117.248 8.199 I5H-N 124.313 8.165 K6H-N 125.883 8.33 N7H-N 120.742 8.445 N7HD21-ND2 112.475 7.561 N7HD22-ND2 112.475 6.874 T8H-N 115.041 8.113 V9H-N 122.49 8.104 S10H-N 119.882 8.335 V11H-N 121.803 8.098 N12H-N 122.501 8.428 N12HD21-ND2 113.136 7.549 N12HD22-ND2 113.136 7.011 L13H-N 123.759 8.253 E14H-N 122.754 8.357 L15H-N 123.43 8.02 T16H-N 112.002 8.259 A17H-N 123.448 9.016 E18H-N 115.391 8.366 E19H-N 119.682 7.592 W20H-N 120.676 8.119 W20HE1-NE1 129.325 10.326 K21H-N 122.051 8.893 K22H-N 120.374 8.889 K23H-N 120.394 8.856 Y24H-N 119.521 8.151 E25H-N 122.154 8.656 K26H-N 120.712 7.859 E27H-N 122.792 8.169 K28H-N 116.338 8.185 E29H-N 116.535 7.945 K30H-N 122.067 7.998 N31H-N 120.284 8.248 N31HD21-ND2 111.264 7.387 N31HD22-ND2 111.264 6.797 K32H-N 120.709 7.925 A33H-N 122.856 7.709 L34H-N 119.648 8.518 K35H-N 118.983 8.345 S36H-N 115.354 7.722 V37H-N 120.512 8.189 I38H-N 121.772 8.412 Q39H-N 118.217 7.748 Q39HE21-NE2 110.261 8.111 Q39HE22-NE2 110.261 6.923 H40H-N 117.253 7.932 L41H-N 121.7 8.687 E42H-N 118.671 8.856 V43H-N 121.062 7.759 E44H-N 117.614 7.94 L45H-N 120.136 7.793 N46H-N 119.922 7.886 N46HD21-ND2 112.807 7.587 N46HD22-ND2 112.807 6.933 R47H-N 119.92 7.695 W48H-N 119.924 7.607 W48HE1-NE1 128.533 10.543 R49H-N 117.263 8.053 N50H-N 115.206 7.665 N50HD21-ND2 112.734 7.545 N50HD22-ND2 112.734 6.788 G51H-N 109.083 7.793 E52H-N 119.526 8.046 A53H-N 124.942 7.862 V54H-N 123.353 7.228