Assignment w1 w2 A3H-N 124.877 8.358 A4H-N 123.061 8.247 S5H-N 114.705 8.143 R6H-N 123.056 8.363 T8H-N 114.298 8.23 M10H-N 123.354 8.598 D11H-N 118.703 8.268 S12H-N 114.82 7.898 R13H-N 123.789 7.945 L14H-N 118.526 8.328 Q15H-N 118.994 8.061 R16H-N 122.01 7.869 I17H-N 120.896 8.316 H18H-N 118.065 8.386 A19H-N 119.526 7.793 E20H-N 118.591 8.261 I21H-N 121.398 8.243 K22H-N 116.009 7.764 N23H-N 114.7 8.465 N23HD21-ND2 112.746 7.394 N23HD22-ND2 112.746 6.908 S24H-N 114.981 7.956 L25H-N 119.393 6.993 K26H-N 121.786 6.811 I27H-N 123.48 8.31 D28H-N 117.746 8.345 N29H-N 119.699 8.002 N29HD21-ND2 111.958 7.3 N29HD22-ND2 111.958 6.835 L30H-N 122.577 8.123 D31H-N 126.365 9.345 V32H-N 122.346 8.322 N33H-N 117.746 8.532 N33HD21-ND2 113.064 7.707 N33HD22-ND2 113.064 6.876 R34H-N 121.727 7.564 C35H-N 120.371 7.718 I36H-N 119.43 8.382 E37H-N 117.962 7.872 A38H-N 123.042 7.524 L39H-N 118.337 8.43 D40H-N 121.697 8.892 E41H-N 123.868 8.12 L42H-N 121.433 8.457 A43H-N 119.019 8.303 S44H-N 112.474 7.584 L45H-N 122.164 7.219 Q46H-N 122.743 8.526 V47H-N 123.077 7.798 T48H-N 117.242 8.531 M49H-N 120.872 8.938 Q50H-N 117.051 8.348 Q51H-N 118.883 7.61 A52H-N 121.192 8.239 Q53H-N 113.49 7.782 K54H-N 117.045 7.314 H55H-N 121.161 7.779 T56H-N 113.638 7.407 E57H-N 122.037 8.815 M58H-N 120.759 7.71 I59H-N 119.662 7.44 T60H-N 117.45 7.931 T61H-N 121.876 8.185 L62H-N 119.817 8.108 K63H-N 116.495 8.001 K64H-N 117.727 7.631 I65H-N 111.783 7.587 R66H-N 119.289 6.963 R67H-N 112.214 7.142 F68H-N 123.246 7.648 K69H-N 125.328 7.656 V70H-N 114.872 6.306 S71H-N 111.447 7.296 V73H-N 117.859 7.685 I74H-N 120.376 7.705 M75H-N 121.437 8.256 E76H-N 121.386 8.563 K77H-N 120.034 8.716 S78H-N 113.999 8.654 T79H-N 121.056 7.878 M80H-N 120.461 7.625 L81H-N 120.264 7.907 Y82H-N 120.197 8.99 N83H-N 114.954 8.016 N83HD21-ND2 111.558 7.515 N83HD22-ND2 111.558 6.865 K84H-N 119.761 7.514 F85H-N 115.517 7.599 K86H-N 118.093 7.868 N87H-N 117.813 7.743 N87HD21-ND2 112.859 7.491 N87HD22-ND2 112.859 6.778 M88H-N 124.976 7.467