Assignment w1 w2 R4H-N 121.477 8.309 L5H-N 124.503 8.295 C6H-N 120.16 8.217 C7H-N 121.78 8.241 Q8H-N 123.022 8.33 Q8HE21-NE2 112.888 7.39 Q8HE22-NE2 112.888 6.714 L9H-N 123.598 8.164 D10H-N 122.768 8.297 A12H-N 122.291 8.151 R13H-N 119.175 7.807 D14H-N 121.128 8.123 V15H-N 120.007 7.853 L16H-N 124.809 8.128 C17H-N 120.488 8.082 L18H-N 124.991 8.168 R19H-N 123.325 8.114 V21H-N 121.04 8.198 G22H-N 112.975 8.389 A23H-N 123.839 8.046 E24H-N 119.731 8.423 S25H-N 116.514 8.197 C26H-N 120.785 8.194 G27H-N 110.85 8.275 R28H-N 121.568 8.007 F30H-N 121.028 8.307 S31H-N 118.456 8.122 G32H-N 110.262 7.507 S33H-N 115.498 8.052 L34H-N 124.052 8.254 G35H-N 109.267 8.22 T36H-N 113.718 7.867 L37H-N 124.448 8.177 S38H-N 116.673 8.132 S39H-N 118.756 8.129 S41H-N 117.927 8.338 S43H-N 115.731 8.16 A44H-N 126.189 8.133 V45H-N 121.142 7.985 T47H-N 114.583 8.116 D48H-N 122.478 8.174 H49H-N 120.891 8.145 G50H-N 109.309 8.249 A51H-N 123.643 7.955 H52H-N 118.048 8.142 L53H-N 122.944 7.818 S54H-N 116.226 8.162 L55H-N 123.823 8.107 R56H-N 120.632 8.039 G57H-N 109.398 8.158 L58H-N 122.44 7.832 V60H-N 120.715 8.129 C61H-N 123.479 8.236 A62H-N 127.276 8.269 F63H-N 119.3 8.094 S64H-N 117.334 8.03 S65H-N 118.237 8.217 A66H-N 125.415 8.091 G67H-N 107.95 7.945 C69H-N 120.065 8.306 A70H-N 126.472 8.176 L71H-N 121.143 8.038 R72H-N 121.134 7.986 F73H-N 120.915 8.083 T74H-N 115.618 7.929 S75H-N 118.039 8.138 A76H-N 125.855 8.169 R77H-N 120.333 8.064 R78H-N 122.909 8.23 M79H-N 122.322 8.333 E80H-N 122.474 8.374 T81H-N 115.252 8.123 T82H-N 117.064 8.039 V83H-N 122.788 8.064 N84H-N 122.635 8.352 N84HD21-ND2 113.06 7.433 N84HD22-ND2 113.06 6.768 A85H-N 124.533 8.138 H86H-N 117.797 8.048 Q87H-N 121.243 7.935 Q87HE21-NE2 112.56 7.359 Q87HE22-NE2 112.56 6.714 I88H-N 123.041 8.075 L89H-N 128.467 8.24 K91H-N 121.943 8.218 V92H-N 122.285 8.025 L93H-N 126.362 8.17 H94H-N 121.2 8.082 K95H-N 123.114 8.153 R96H-N 122.903 8.417 T97H-N 116.215 8.086 L98H-N 124.906 8.148 G99H-N 109.496 8.238 L100H-N 121.338 7.936 S101H-N 115.719 8.147 A102H-N 124.983 8.024 M103H-N 119.105 7.916 S104H-N 117.858 8.502 T105H-N 115.834 8.348 T106H-N 115.375 7.877 D107H-N 123.441 7.926 L108H-N 122.959 8.154 E109H-N 119.115 7.953 A110H-N 121.994 7.641 Y111H-N 119.166 7.811 F112H-N 119.036 7.899 K113H-N 121.117 7.683 D114H-N 119.795 7.98 C115H-N 118.076 7.819 L116H-N 123.018 7.936 F117H-N 119.956 7.862 K118H-N 122.638 7.785 D119H-N 121.844 7.76 W120H-N 125.407 7.249 W120HE1-NE1 128.816 9.874 R4H-N 121.466 8.324 L5H-N 124.467 8.308 C6H-N 120.653 8.304 C7H-N 121.959 8.295 Q8H-N 123.091 8.355 Q8HE21-NE2 113.084 7.413 Q8HE22-NE2 113.084 6.724 L9H-N 123.591 8.195 D10H-N 122.779 8.296 A12H-N 122.345 8.184 R13H-N 119.09 7.784 D14H-N 121.122 8.132 V15H-N 120.028 7.858 L16H-N 124.654 8.132 C17H-N 120.372 8.069 L18H-N 124.904 8.175 R19H-N 123.029 8.152 V21H-N 121.059 8.214 G22H-N 113.025 8.418 A23H-N 123.873 8.066 E24H-N 119.684 8.441 S25H-N 116.495 8.206 C26H-N 120.747 8.202 G27H-N 110.837 8.292 R28H-N 121.591 8.011 F30H-N 120.934 8.316 S31H-N 118.402 8.124 G32H-N 110.274 7.53 S33H-N 115.495 8.062 L34H-N 123.967 8.265 G35H-N 109.266 8.221 T36H-N 113.713 7.87 L37H-N 124.373 8.187 S38H-N 116.558 8.132 S39H-N 118.746 8.124 S41H-N 117.933 8.359 S43H-N 115.714 8.175 A44H-N 126.155 8.148 V45H-N 121.309 8.011 T47H-N 114.588 8.132 D48H-N 122.372 8.179 H49H-N 120.934 8.155 G50H-N 109.274 8.265 A51H-N 123.654 7.968 H52H-N 117.96 8.144 L53H-N 122.81 7.815 S54H-N 116.089 8.167 L55H-N 123.654 8.101 R56H-N 120.403 8.019 G57H-N 109.274 8.159 L58H-N 122.404 7.815 V60H-N 120.684 8.144 C61H-N 123.498 8.249 A62H-N 127.249 8.285 F63H-N 119.246 8.116 S64H-N 117.277 8.03 S65H-N 118.183 8.222 A66H-N 125.342 8.089 G67H-N 107.961 7.96 C69H-N 120.059 8.312 A70H-N 126.311 8.175 L71H-N 120.934 8.05 R72H-N 120.841 7.952 F73H-N 120.653 8.058 T74H-N 115.401 7.921 S75H-N 117.943 8.138 A76H-N 125.686 8.159 R77H-N 120.09 8.042 R78H-N 122.622 8.195 M79H-N 122.028 8.308 E80H-N 122.279 8.355 T81H-N 115.12 8.12 T82H-N 117.058 8.038 V83H-N 122.81 8.073 N84H-N 122.497 8.355 N84HD21-ND2 113.144 7.449 N84HD22-ND2 113.144 6.771 A85H-N 124.467 8.148 H86H-N 117.652 8.05 Q87H-N 121.184 7.913 Q87HE21-NE2 112.683 7.375 Q87HE22-NE2 112.683 6.72 I88H-N 122.873 8.085 L89H-N 128.343 8.238 K91H-N 121.716 8.222 V92H-N 122.06 8.003 L93H-N 126.237 8.165 H94H-N 120.966 8.062 K95H-N 122.748 8.128 R96H-N 122.591 8.41 T97H-N 115.933 8.046 L98H-N 124.534 8.141 G99H-N 109.274 8.234 L100H-N 121.372 7.929 S101H-N 115.401 8.128 A102H-N 124.717 7.983 M103H-N 118.871 7.925 S104H-N 117.996 8.574 T105H-N 115.807 8.402 T106H-N 115.276 7.87 D107H-N 123.591 7.886 L108H-N 123.06 8.202 E109H-N 118.59 7.925 A110H-N 121.653 7.6 Y111H-N 119.34 7.831 F112H-N 119.09 7.854 K113H-N 120.809 7.647 D114H-N 119.528 7.968 C115H-N 117.871 7.78 L116H-N 122.779 7.917 F117H-N 119.715 7.839 K118H-N 122.404 7.757 D119H-N 121.716 7.733 W120H-N 125.436 7.24 W120HE1-NE1 128.837 9.875