Assignment w1 w2 H3H-N 119.715 8.641 M4H-N 122.697 8.42 E5H-N 122.717 8.661 T6H-N 114.681 8.183 E7H-N 123.264 8.526 L8H-N 122.405 8.142 I9H-N 124.251 8.622 E10H-N 125.222 8.347 G11H-N 108.849 8.55 E12H-N 119.662 8.372 V13H-N 126.991 9.497 V14H-N 131.834 9.214 E15H-N 116.097 7.425 I16H-N 125.262 8.849 Q17H-N 128.276 8.857 Q17HE21-NE2 112.251 6.776 Q17HE22-NE2 112.251 7.707 I18H-N 125.704 8.699 D19H-N 127.853 8.796 R20H-N 123.091 8.646 S21H-N 117.018 8.553 I22H-N 123.01 8.107 T23H-N 116.88 8.183 G24H-N 111.993 8.497 G25H-N 107.734 8.258 H26H-N 119.06 8.037 K27H-N 122.328 8.457 Q28H-N 117.883 8.347 Q28HE21-NE2 112.155 6.836 Q28HE22-NE2 112.155 7.655 G29H-N 106.916 8.245 K30H-N 121.102 9.199 L31H-N 126.646 9.224 T32H-N 123.998 9.025 I33H-N 128.22 9.367 K34H-N 127.445 9.54 T35H-N 120.186 8.797 T36H-N 114.502 8.628 D37H-N 117.391 8.376 M38H-N 117.34 7.769 E39H-N 122.904 8.537 T40H-N 121.146 9.025 I41H-N 125.348 8.257 Y42H-N 127.578 9.551 E43H-N 124.071 8.75 L44H-N 122.158 8.364 G45H-N 109.716 7.656 N46H-N 117.736 8.534 N46HD21-ND2 114.264 7.12 N46HD22-ND2 114.264 7.757 K47H-N 118.359 8.56 M48H-N 118.818 8.022 I49H-N 120.064 8.157 D50H-N 122.307 8.424 G51H-N 108.304 8.037 L52H-N 122.031 8.486 T53H-N 114.257 8.098 K54H-N 124.926 8.481 E55H-N 114.499 7.703 K56H-N 117.131 7.748 V57H-N 119.014 7.512 L58H-N 128.917 9.039 A59H-N 121.12 8.371 G60H-N 113.148 9.247 D61H-N 121.158 8.144 V62H-N 122.244 8.679 I63H-N 118.831 8.718 S64H-N 113.261 8.83 I65H-N 123.674 9.257 D66H-N 126.639 8.227 K67H-N 126.722 8.661 A68H-N 119.856 8.498 S69H-N 110.137 7.771 G70H-N 113.788 8.481 K71H-N 119.447 7.627 I72H-N 129.09 8.684 T73H-N 123.081 8.868 K74H-N 127.006 9.246 L75H-N 127.274 8.942 G76H-N 107.09 8.004 R77H-N 120.72 8.379 S78H-N 117.213 8.497 F79H-N 122.77 8.338 A80H-N 124.758 8.234 R81H-N 119.898 8.182 S82H-N 116.894 8.309 R83H-N 122.457 8.359 D84H-N 120.538 8.217 Y85H-N 120.257 7.99 D86H-N 121.896 8.203 A87H-N 124.114 8.074 M88H-N 118.053 8.241 G89H-N 109.443 8.26 A90H-N 123.658 8.18 D91H-N 119.175 8.412 T92H-N 114.757 8.061 R93H-N 122.503 8.179 F94H-N 120.274 8.159 V95H-N 122.058 7.939 Q96H-N 124.183 8.423 Q96HE21-NE2 112.573 6.885 Q96HE22-NE2 112.573 7.575 C97H-N 122.508 8.489 E99H-N 120.91 8.64 G100H-N 109.518 8.391 E101H-N 120.515 8.194 L102H-N 122.383 8.212 Q103H-N 119.99 8.254 Q103HE21-NE2 112.599 6.895 Q103HE22-NE2 112.599 7.567 K104H-N 122.124 8.171 R105H-N 122.402 8.288 K106H-N 123.898 8.449 T107H-N 121.015 7.828