Assignment w1 w2 A2H-N 123.674 8.525 E3H-N 120.007 8.501 E4H-N 121.709 8.298 E5H-N 124.201 7.905 D6H-N 127.838 8.754 F7H-N 129.423 9.345 K8H-N 117.736 8.302 T9H-N 117.018 7.744 F10H-N 123.333 7.871 L11H-N 121.781 8.24 Q12H-N 117.748 7.266 Q12HE21-NE2 112.032 6.675 Q12HE22-NE2 112.032 7.468 K13H-N 120.826 7.196 F14H-N 120.031 8.794 T15H-N 102.008 7.784 S16H-N 111.888 7.237 S17H-N 115.534 7.006 A18H-N 133.743 9.712 S19H-N 111.663 8.743 F20H-N 124.209 7.915 Q21H-N 122.127 8.844 Q21HE21-NE2 110.586 7.725 Q21HE22-NE2 110.586 7.253 Y22H-N 113.029 8.557 S23H-N 113.015 7.458 R24H-N 121.083 7.356 R24HE-NE 82.949 6.787 I25H-N 118.505 6.93 K26H-N 128.193 8.009 F27H-N 120.181 7.559 L29H-N 119.9 8.149 K30H-N 118.355 7.401 S31H-N 115.8 8.81 I33H-N 121.187 8.479 A34H-N 131.192 8.159 L35H-N 121.586 8.566 L36H-N 121.259 8.727 K37H-N 119.341 8.582 D38H-N 119.72 8.528 D39H-N 116.408 7.34 G40H-N 108.598 8.34 E41H-N 117.861 8.438 T42H-N 119.928 9.384 E43H-N 125.102 8.623 Q44H-N 124.959 9.266 Q44HE21-NE2 112.092 6.69 Q44HE22-NE2 112.092 7.053 T45H-N 113.767 7.867 F46H-N 120.057 9.22 F48H-N 129.118 10.309 T49H-N 113.109 7.116 R50H-N 119.044 7.978 R50HE-NE 84.0 6.446 E51H-N 120.63 9.296 K52H-N 115.141 7.512 W53H-N 117.588 7.41 W53HE1-NE1 134.401 10.715 A54H-N 131.231 6.396 L55H-N 122.229 8.1 L56H-N 124.239 9.062 D57H-N 118.843 7.686 E58H-N 118.066 8.613 E59H-N 116.745 7.809 T60H-N 116.24 7.814 L61H-N 119.699 6.775 K62H-N 119.75 6.942 E63H-N 123.316 8.802 G64H-N 111.768 8.906 R65H-N 119.868 8.204 R65HE-NE 84.168 7.149 T66H-N 119.75 8.844 T67H-N 120.448 8.688 E68H-N 125.4 8.541 E69H-N 123.427 8.752 E70H-N 117.356 8.465 G71H-N 107.407 7.884 G72H-N 109.557 8.132 T73H-N 118.184 8.688 Y74H-N 131.149 9.073 I75H-N 129.048 8.303 S76H-N 121.904 8.581 H77H-N 118.44 8.667 F78H-N 120.652 9.356 T79H-N 117.865 8.242 V80H-N 121.16 7.537 N81H-N 128.181 9.573 N81HD21-ND2 111.027 6.514 N81HD22-ND2 111.027 7.499 E82H-N 121.769 7.724 A84H-N 113.294 8.189 H85H-N 119.622 7.185 K86H-N 124.978 9.385 E87H-N 119.737 9.207 F88H-N 125.272 9.41 E89H-N 125.171 8.304 A90H-N 123.704 8.829 G91H-N 106.808 7.537 Y92H-N 118.939 8.737 D93H-N 121.558 8.571 E94H-N 119.338 8.475 S95H-N 113.672 7.776 E96H-N 122.863 8.276 S98H-N 118.366 9.32 L99H-N 121.485 7.992 R100H-N 125.811 9.465 R100HE-NE 84.2 7.405 V101H-N 124.952 9.639 V102H-N 126.668 8.102 F103H-N 124.322 9.395 E104H-N 120.891 9.737 L105H-N 127.838 7.209 T106H-N 123.343 9.265 D107H-N 128.035 9.325 G108H-N 101.908 8.415 K109H-N 120.81 7.539 W110H-N 120.865 7.622 W110HE1-NE1 126.287 9.455 Y111H-N 114.452 8.467 V112H-N 120.454 9.003 T113H-N 114.151 8.41 D114H-N 119.295 7.679 C115H-N 121.495 8.347 Y116H-N 127.613 9.109 N117H-N 126.273 8.687 N117HD21-ND2 112.435 7.493 N117HD22-ND2 112.435 7.081 D118H-N 124.842 7.809 W119H-N 121.403 8.215 W119HE1-NE1 127.115 9.787 Y120H-N 115.842 7.943 N121H-N 115.229 6.499 N121HD21-ND2 114.106 6.737 N121HD22-ND2 114.106 7.746 F122H-N 116.514 8.093 D123H-N 116.397 8.048 L124H-N 127.948 7.842 I126H-N 124.581 8.745 N127H-N 115.351 8.46 N127HD21-ND2 112.686 7.592 N127HD22-ND2 112.686 6.908 E128H-N 117.871 7.991 L129H-N 125.598 7.673 E130H-N 118.323 8.632 E131H-N 119.505 8.391 T132H-N 120.951 7.945 I133H-N 122.408 8.329 Q134H-N 117.338 7.688 Q134HE21-NE2 111.195 6.576 Q134HE22-NE2 111.195 7.275 A135H-N 124.525 7.638 V136H-N 122.904 7.975 Q137H-N 118.061 8.297 Q137HE21-NE2 113.127 7.307 Q137HE22-NE2 113.127 7.048 E138H-N 120.79 8.024 E139H-N 121.226 7.658 N140H-N 120.529 8.755 N140HD21-ND2 110.493 7.856 N140HD22-ND2 110.493 7.064 K141H-N 121.169 8.062 A142H-N 120.854 7.142 F143H-N 120.133 7.812 E144H-N 118.965 8.969 E145H-N 116.83 7.533 L146H-N 116.089 6.79 H147H-N 115.784 8.189