Assignment w1 w2 A2H-N 129.004 8.185 E3H-N 120.326 8.425 Q4H-N 121.528 8.336 Q4HE21-NE2 112.023 7.446 Q4HE22-NE2 112.023 6.809 Y5H-N 122.494 8.261 S6H-N 119.267 7.856 E7H-N 123.537 8.201 I8H-N 122.435 8.032 N9H-N 123.443 8.179 N9HD21-ND2 113.298 7.673 N9HD22-ND2 113.298 7.023 T10H-N 116.563 8.341 D11H-N 121.802 8.298 T12H-N 118.436 7.923 L13H-N 120.285 7.983 E14H-N 122.404 8.602 R15H-N 120.238 7.82 V16H-N 117.642 8.152 T17H-N 117.227 7.951 E18H-N 119.114 7.699 I19H-N 120.991 7.554 F20H-N 118.354 7.826 K21H-N 118.497 8.734 A22H-N 121.963 7.821 L23H-N 116.715 7.527 G24H-N 105.52 7.62 D25H-N 121.287 8.066 Y26H-N 128.755 8.837 N27H-N 116.261 8.196 N27HD21-ND2 112.808 7.559 N27HD22-ND2 112.808 6.919 R28H-N 121.1 8.739 I29H-N 120.951 8.178 R30H-N 119.58 7.785 I31H-N 120.698 8.112 M32H-N 118.158 8.004 E33H-N 119.493 8.783 L34H-N 124.644 7.949 L35H-N 119.362 8.206 S36H-N 115.117 7.854 V37H-N 122.706 7.439 S38H-N 113.221 7.589 E39H-N 121.274 8.095 A40H-N 122.847 8.565 S41H-N 117.601 8.503 V42H-N 122.36 7.881 G43H-N 109.489 9.642 H44H-N 122.353 7.866 I45H-N 120.656 8.263 S46H-N 112.638 8.267 H47H-N 118.096 8.197 Q48H-N 118.211 8.447 Q48HE21-NE2 112.064 7.26 Q48HE22-NE2 112.064 6.922 L49H-N 113.314 7.668 N50H-N 117.995 7.637 N50HD21-ND2 111.967 7.503 N50HD22-ND2 111.967 6.742 L51H-N 118.476 7.98 S52H-N 119.663 9.061 Q53H-N 123.488 8.922 Q53HE21-NE2 110.923 7.093 Q53HE22-NE2 110.923 6.839 S54H-N 111.99 8.42 N55H-N 122.115 7.706 N55HD21-ND2 113.56 7.758 N55HD22-ND2 113.56 7.03 V56H-N 118.801 8.173 S57H-N 116.063 8.637 H58H-N 121.222 8.246 Q59H-N 119.816 8.544 L60H-N 119.322 8.875 K61H-N 120.831 7.567 L62H-N 122.052 7.136 L63H-N 119.032 8.134 K64H-N 123.177 8.954 S65H-N 118.963 8.163 V66H-N 111.567 6.781 H67H-N 114.31 7.936 L68H-N 115.514 8.349 V69H-N 109.145 7.064 K70H-N 119.932 9.206 A71H-N 120.797 8.183 K72H-N 121.136 8.279 R73H-N 126.879 8.462 Q74H-N 130.079 8.722 Q74HE21-NE2 111.335 7.467 Q74HE22-NE2 111.335 6.798 G75H-N 117.759 8.841 Q76H-N 125.862 8.923 S77H-N 113.695 7.848 M78H-N 124.504 9.631 I79H-N 123.45 8.633 Y80H-N 131.959 9.11 S81H-N 109.757 8.7 L82H-N 119.759 8.797 D83H-N 120.73 7.756 D84H-N 114.024 6.978 I85H-N 127.233 8.452 H86H-N 123.565 8.226 V87H-N 121.729 8.112 A88H-N 122.297 7.526 T89H-N 115.992 8.083 M90H-N 124.006 7.898 L91H-N 120.623 8.403 K92H-N 118.94 7.802 Q93H-N 119.191 8.291 Q93HE21-NE2 110.751 7.328 Q93HE22-NE2 110.751 6.823 A94H-N 124.54 8.504 I95H-N 119.776 8.341 H96H-N 117.952 8.022 H97H-N 116.911 8.182 A98H-N 120.903 7.788 N99H-N 116.356 7.505 N99HD21-ND2 112.578 7.539 N99HD22-ND2 112.578 6.92 H100H-N 118.964 7.682 K102H-N 121.361 8.317 E103H-N 122.282 8.284 S104H-N 117.004 8.24 G105H-N 111.477 8.281 L106H-N 127.496 7.61