Assignment w1 w2 L2H-N 127.862 8.754 K3H-N 121.006 7.879 C4H-N 117.708 8.427 Y5H-N 121.098 8.442 T6H-N 110.634 9.312 C7H-N 109.134 8.26 K8H-N 120.821 8.624 E9H-N 118.533 7.627 M11H-N 122.942 9.017 T12H-N 110.52 8.3 S13H-N 115.512 8.8 A14H-N 118.939 8.331 S15H-N 110.843 7.561 C16H-N 124.537 7.576 R17H-N 121.872 7.869 R17HE-NE 84.476 6.519 T18H-N 119.541 8.309 I19H-N 129.953 8.949 T20H-N 126.753 8.711 R21H-N 126.298 8.549 R21HE-NE 84.894 7.25 C22H-N 125.959 8.747 K23H-N 119.892 8.576 E25H-N 112.877 8.892 D26H-N 120.983 7.675 T27H-N 110.714 8.139 A28H-N 123.06 8.408 C29H-N 115.816 8.764 M30H-N 126.078 9.366 T31H-N 123.706 8.903 T32H-N 123.644 9.284 L33H-N 128.357 9.113 V34H-N 126.345 8.634 T35H-N 116.526 7.962 V36H-N 121.426 8.161 E37H-N 123.625 8.417 A38H-N 125.048 8.31 E39H-N 118.662 8.108 Y40H-N 123.909 8.372 F42H-N 123.353 8.304 N43H-N 118.075 8.285 N43HD21-ND2 111.905 7.538 N43HD22-ND2 111.905 6.855 Q44H-N 119.628 8.156 Q44HE21-NE2 112.052 7.496 Q44HE22-NE2 112.052 6.855 S45H-N 117.221 8.248 V47H-N 120.05 8.218 V48H-N 117.271 9.077 T49H-N 107.103 8.442 R50H-N 120.37 7.623 R50HE-NE 89.377 6.011 S51H-N 113.789 8.709 C52H-N 120.824 8.473 S53H-N 115.253 9.052 S54H-N 120.787 8.783 S55H-N 117.808 8.3 C56H-N 125.978 8.668 V57H-N 129.527 8.239 A58H-N 130.28 8.414 T59H-N 115.127 8.219 D60H-N 125.274 8.548 D62H-N 116.981 8.402 S63H-N 115.678 7.865 I64H-N 122.425 8.098 G65H-N 112.83 8.564 A66H-N 123.606 7.901 A67H-N 122.736 8.243 H68H-N 114.237 7.931 L69H-N 123.034 8.371 I70H-N 121.493 8.097 F71H-N 125.5 9.246 C72H-N 118.63 8.577 C73H-N 118.255 8.679 F74H-N 119.428 8.81 R75H-N 119.247 7.45 R75HE-NE 85.065 7.29 D76H-N 119.844 8.29 L77H-N 114.448 9.298 C78H-N 112.101 7.834 N79H-N 122.157 9.014 S80H-N 109.444 7.482 E81H-N 120.035 7.936 L82H-N 127.265 7.911