Assignment w1 w2 G3H-N 111.074 8.614 M4H-N 119.981 8.238 Q5H-N 122.246 8.425 Q5HE21-NE2 112.734 7.527 Q5HE22-NE2 112.734 6.952 E6H-N 122.945 8.382 I7H-N 124.251 8.403 D8H-N 129.098 9.213 L9H-N 126.874 8.762 N10H-N 118.028 8.349 N10HD21-ND2 114.896 7.981 N10HD22-ND2 114.896 7.004 D11H-N 122.074 7.865 W12H-N 119.417 5.496 W12HE1-NE1 126.16 9.93 Q13H-N 113.446 7.434 Q13HE21-NE2 108.599 6.658 Q13HE22-NE2 108.599 5.824 R14H-N 118.06 7.898 H15H-N 115.281 7.168 A16H-N 121.516 6.859 I17H-N 120.728 8.883 Y18H-N 121.524 8.334 R19H-N 122.972 9.125 H20H-N 119.072 9.174 Y21H-N 114.565 7.449 A22H-N 120.944 8.834 R23H-N 119.63 8.986 T24H-N 99.798 6.864 S25H-N 120.006 7.754 K26H-N 126.447 9.101 Q27H-N 111.523 7.659 Q27HE21-NE2 111.651 8.283 Q27HE22-NE2 111.651 7.25 I28H-N 116.528 6.42 M29H-N 119.234 7.608 W30H-N 119.517 8.65 W30HE1-NE1 128.534 10.124 F31H-N 122.561 8.47 W32H-N 117.377 8.096 W32HE1-NE1 126.16 9.93 Q33H-N 122.575 8.205 Q33HE21-NE2 109.0 6.594 Q33HE22-NE2 109.0 6.123 F34H-N 122.875 8.742 V35H-N 117.974 8.034 K36H-N 117.602 7.822 E37H-N 118.376 7.828 I38H-N 113.466 7.25 D39H-N 115.514 7.441 N40H-N 116.224 8.807 N40HD21-ND2 115.901 7.906 N40HD22-ND2 115.901 7.252 E41H-N 119.564 8.404 K42H-N 120.372 8.222 R43H-N 119.997 8.702 M44H-N 118.046 8.301 R45H-N 119.993 7.983 L46H-N 123.141 8.711 L47H-N 121.104 8.698 Q48H-N 123.047 8.783 Q48HE21-NE2 110.749 7.471 Q48HE22-NE2 110.749 6.761 F49H-N 122.579 8.829 V50H-N 114.825 8.011 T51H-N 103.111 8.385 G52H-N 111.938 8.552 T53H-N 114.933 8.062 S54H-N 116.606 8.171 R55H-N 120.968 7.752 L56H-N 125.454 8.289 V58H-N 123.041 8.687 G59H-N 107.971 8.611 G60H-N 108.08 7.908 F61H-N 118.887 9.441 A62H-N 123.71 9.362 D63H-N 114.681 7.148 L64H-N 119.986 6.683 M65H-N 123.539 9.033 G66H-N 112.507 8.608 S67H-N 116.157 8.579 N68H-N 117.996 8.839 N68HD21-ND2 112.444 7.565 N68HD22-ND2 112.444 6.926 G69H-N 108.057 7.499 Q71H-N 125.339 8.433 Q71HE21-NE2 112.903 7.709 Q71HE22-NE2 112.903 6.815 K72H-N 126.933 8.521 F73H-N 122.998 9.404 S74H-N 121.537 8.485 I75H-N 119.505 8.264 E76H-N 128.543 9.433 K77H-N 126.973 7.211 V78H-N 125.376 6.539 G79H-N 107.085 7.756 E81H-N 117.553 8.957 N82H-N 111.497 7.829 N82HD21-ND2 113.272 7.744 N82HD22-ND2 113.272 6.955 L84H-N 123.141 8.763 R86H-N 117.787 8.147 S87H-N 115.41 8.596 H88H-N 118.502 8.899 T89H-N 119.239 9.042 C90H-N 118.062 8.232 F91H-N 115.468 7.305 N92H-N 117.411 7.881 N92HD21-ND2 111.317 7.691 N92HD22-ND2 111.317 6.374 R93H-N 114.521 7.094 L94H-N 129.492 9.119 D95H-N 129.996 9.356 L96H-N 127.146 9.015 Y99H-N 123.945 8.295 K100H-N 116.056 9.142 S101H-N 112.613 7.383 Y102H-N 122.018 7.755 E103H-N 115.46 8.381 Q104H-N 119.971 7.599 Q104HE21-NE2 112.512 7.325 Q104HE22-NE2 112.512 7.325 L105H-N 119.987 7.174 K106H-N 119.043 8.407 E107H-N 116.923 7.64 K108H-N 117.982 7.888 L109H-N 119.49 8.301 L110H-N 118.086 8.365 F111H-N 118.035 7.682 A112H-N 119.986 7.812 I113H-N 109.952 7.742 E114H-N 121.014 7.69 E115H-N 119.112 7.769 T116H-N 113.972 7.788 E117H-N 123.086 8.391 G118H-N 109.29 8.383 F119H-N 119.992 8.116 G120H-N 111.11 8.453 Q121H-N 119.976 8.159 Q121HE21-NE2 112.775 7.604 Q121HE22-NE2 112.775 6.838 E122H-N 127.455 8.129