Assignment w1 w2 M3H-N 117.762 8.518 N5H-N 118.2 8.332 N5HD21-ND2 112.579 7.428 N5HD22-ND2 112.579 6.826 V6H-N 120.396 7.939 C7H-N 124.774 8.304 T10H-N 112.513 8.368 E11H-N 119.491 7.813 F12H-N 111.146 8.198 I13H-N 121.427 8.655 S14H-N 121.358 8.034 R15H-N 118.317 9.545 R15HE-NE 82.754 6.942 H16H-N 117.425 8.73 H16HD1-ND1 162.709 10.249 N17H-N 116.276 8.201 N17HD21-ND2 110.863 7.838 N17HD22-ND2 110.863 6.63 I18H-N 120.001 8.774 E19H-N 116.538 7.213 G20H-N 104.883 7.845 I21H-N 120.855 7.841 F22H-N 125.849 8.896 T23H-N 117.677 9.771 F24H-N 123.378 7.948 V25H-N 124.777 7.34 D26H-N 125.573 7.942 H27H-N 117.576 8.115 R28H-N 122.414 8.724 R28HE-NE 85.521 7.811 C29H-N 119.987 8.102 V30H-N 125.016 7.139 A31H-N 120.554 7.393 T32H-N 109.15 7.253 V33H-N 108.519 7.939 G34H-N 109.672 7.439 Y35H-N 117.067 6.215 Q36H-N 117.664 9.145 Q38H-N 113.031 8.87 E39H-N 117.366 7.799 L40H-N 116.615 7.001 L41H-N 117.814 7.521 G42H-N 110.496 8.535 K43H-N 120.461 8.398 N44H-N 119.869 8.892 N44HD21-ND2 111.011 7.393 N44HD22-ND2 111.011 6.784 I45H-N 129.131 8.543 V46H-N 118.981 9.059 E47H-N 117.733 7.923 F48H-N 117.768 7.689 C49H-N 119.705 7.413 H50H-N 134.18 8.64 E52H-N 119.351 10.986 D53H-N 117.757 8.203 Q54H-N 118.68 6.922 Q54HE21-NE2 111.173 7.215 Q54HE22-NE2 111.173 6.928 Q55H-N 119.173 8.663 Q55HE21-NE2 115.596 7.912 Q55HE22-NE2 115.596 6.887 L56H-N 119.661 7.935 L57H-N 119.857 7.382 R58H-N 118.198 8.118 D59H-N 119.165 8.748 S60H-N 117.761 7.552 F61H-N 122.009 7.063 Q62H-N 114.929 7.376 Q63H-N 117.434 7.893 V64H-N 118.766 8.22 V65H-N 112.59 6.86 K66H-N 119.643 7.431 L67H-N 121.288 7.859 K68H-N 119.626 7.475 G69H-N 113.681 8.696 Q70H-N 119.949 8.031 V71H-N 121.816 8.232 L72H-N 130.331 9.052 S73H-N 113.04 8.057 V74H-N 122.721 8.799 M75H-N 120.057 8.195 F76H-N 120.244 9.394 R77H-N 121.379 8.783 R77HE-NE 84.852 7.511 F78H-N 128.097 9.258 R79H-N 129.898 9.242 S80H-N 128.002 9.253 K81H-N 123.505 8.065 N82H-N 115.202 7.934 N82HD21-ND2 111.42 7.47 N82HD22-ND2 111.42 6.834 Q83H-N 112.357 8.099 Q83HE21-NE2 113.752 7.298 Q83HE22-NE2 113.752 6.911 E84H-N 117.557 7.385 W85H-N 121.388 8.645 W85HE1-NE1 129.653 10.321 L86H-N 126.537 9.348 W87H-N 123.902 8.87 W87HE1-NE1 128.108 10.064 M88H-N 123.412 9.432 R89H-N 119.57 9.282 T90H-N 115.133 9.298 S91H-N 114.043 8.194 S92H-N 125.442 9.864 Q93H-N 117.328 8.873 Q93HE21-NE2 112.172 7.53 Q93HE22-NE2 112.172 6.583 T94H-N 116.526 8.846 A95H-N 126.311 8.188 Q96H-N 116.92 8.324 Q96HE21-NE2 114.298 7.765 Q96HE22-NE2 114.298 6.834 N97H-N 119.656 8.512 Y99H-N 127.975 8.78 S100H-N 113.164 7.655 D101H-N 118.476 8.736 E102H-N 119.744 8.127 I103H-N 121.388 8.645 E104H-N 125.935 8.957 T105H-N 127.2 8.774 I106H-N 107.991 9.186 I107H-N 129.202 8.431 C108H-N 124.561 8.581 T109H-N 119.017 8.701 N110H-N 122.861 8.527 N110HD21-ND2 112.388 7.338 N110HD22-ND2 112.388 6.819 T111H-N 114.879 8.159 N112H-N 121.0 8.359 Q118H-N 122.171 8.304 E119H-N 127.397 8.007