Assignment w1 w2 I3H-N 123.551 8.255 D4H-N 124.793 8.283 Y5H-N 122.633 8.21 Q6H-N 120.186 8.273 A7H-N 123.259 7.873 L8H-N 119.415 7.838 K9H-N 120.546 7.977 R10H-N 121.03 8.051 R11H-N 121.751 8.213 H12H-N 120.812 8.466 T13H-N 118.223 8.113 E15H-N 120.931 8.592 A16H-N 124.376 8.229 E17H-N 119.9 8.288 N18H-N 120.148 8.445 A20H-N 123.447 8.359 E21H-N 119.776 8.236 A22H-N 122.81 8.092 D23H-N 117.143 8.227 L24H-N 121.863 7.691 Q26H-N 125.117 9.12 Q26HE21-NE2 112.6 7.588 Q26HE22-NE2 112.6 6.745 G27H-N 111.022 8.446 D28H-N 117.308 8.307 I29H-N 120.024 7.985 E30H-N 119.24 8.647 K31H-N 115.738 7.839 Q32H-N 121.254 7.945 V33H-N 119.488 8.52 A34H-N 120.931 8.56 A35H-N 119.229 7.672 L36H-N 117.996 7.547 W37H-N 121.279 9.382 Q38H-N 118.619 8.839 Q38HE21-NE2 112.418 7.561 Q38HE22-NE2 112.418 6.803 Q39H-N 115.393 7.266 L40H-N 118.844 8.222 L41H-N 114.894 8.425 S42H-N 113.356 7.695 T43H-N 112.54 7.732 G44H-N 111.219 8.332 N45H-N 119.044 8.294 V46H-N 121.788 8.053 T47H-N 118.113 9.278 R48H-N 115.641 8.67 E49H-N 113.601 7.902 T50H-N 120.248 7.617 D51H-N 129.249 8.864 F52H-N 125.857 8.48 F53H-N 112.744 7.761 Q54H-N 123.708 8.894 Q55H-N 114.459 7.471 G56H-N 104.631 7.294 G57H-N 109.777 8.002 D58H-N 117.592 6.689 S59H-N 113.791 8.907 L60H-N 125.649 7.983 L61H-N 122.472 9.175 A62H-N 121.08 8.816 T63H-N 116.577 8.036 R64H-N 124.449 7.969 L65H-N 120.049 8.564 T66H-N 112.689 8.18 G67H-N 109.241 7.894 Q68H-N 122.476 8.229 L69H-N 121.005 8.718 H70H-N 120.061 8.315 Q71H-N 120.111 8.111 A72H-N 119.701 7.589 G73H-N 104.997 7.725 Y74H-N 118.297 8.254 E75H-N 122.316 9.043 A76H-N 125.2 8.122 Q77H-N 120.024 8.988 L78H-N 127.684 9.112 S79H-N 110.879 8.721 D80H-N 120.273 7.34 L81H-N 120.844 7.348 F82H-N 113.227 7.423 N83H-N 113.216 8.054 N83HD21-ND2 112.98 7.681 N83HD22-ND2 112.98 6.973 H84H-N 117.846 7.643 R86H-N 118.993 7.877 L87H-N 125.941 8.627 A88H-N 117.848 8.592 D89H-N 117.028 7.293 F90H-N 121.947 9.088 A91H-N 121.142 9.165 A92H-N 116.38 7.006 T93H-N 108.661 7.595 L94H-N 120.26 6.807 R95H-N 118.62 7.762 K96H-N 124.636 8.906 T97H-N 118.652 8.332 D98H-N 123.29 8.469 V99H-N 121.863 8.002 V101H-N 120.856 8.245 E102H-N 124.918 8.462 Q103H-N 122.904 8.455 F105H-N 120.322 8.236 V106H-N 123.322 7.98 H107H-N 123.697 8.455 S108H-N 120.359 8.528 E110H-N 120.608 8.424 D111H-N 126.661 7.873