Assignment w1 w2 Q2H-N 122.236 8.41 Q2HE21-NE2 111.578 7.337 Q2HE22-NE2 111.578 6.714 T3H-N 114.662 8.076 I4H-N 124.868 8.935 K5H-N 130.918 10.592 C6H-N 131.031 9.444 V7H-N 129.091 7.745 V8H-N 126.215 8.363 V9H-N 116.934 8.781 G10H-N 107.331 6.674 D11H-N 117.684 8.221 G12H-N 104.815 8.533 A13H-N 122.586 9.268 V14H-N 122.645 9.264 G15H-N 109.248 8.439 K16H-N 125.565 9.185 T17H-N 119.346 9.135 L19H-N 121.613 8.028 L20H-N 116.975 7.552 S22H-N 120.496 8.813 Y23H-N 119.624 7.679 T24H-N 107.949 8.234 T25H-N 109.012 8.112 N26H-N 118.211 7.598 N26HD21-ND2 107.192 7.221 N26HD22-ND2 107.192 6.284 K27H-N 116.292 6.93 S30H-N 117.658 8.171 E31H-N 119.873 7.667 T35H-N 113.635 8.852 V42H-N 114.173 8.359 T43H-N 118.347 8.342 V44H-N 120.865 9.053 M45H-N 121.348 8.746 I46H-N 127.513 9.338 G47H-N 119.864 9.603 G48H-N 103.534 8.466 E49H-N 120.401 7.595 Y51H-N 124.017 9.396 T52H-N 116.794 8.653 L53H-N 131.749 9.347 G54H-N 115.915 9.609 L55H-N 125.816 8.803 L61H-N 119.903 7.939 E62H-N 122.061 8.967 D63H-N 117.658 8.329 D65H-N 122.507 7.991 R66H-N 114.672 8.515 L67H-N 117.217 7.295 R68H-N 123.09 7.888 L70H-N 118.368 7.386 S71H-N 111.52 7.724 Y72H-N 119.842 7.09 Q74H-N 114.753 8.946 Q74HE21-NE2 111.685 6.725 Q74HE22-NE2 111.685 7.443 T75H-N 116.726 7.283 D76H-N 123.667 8.806 V77H-N 115.79 7.474 F78H-N 122.59 8.318 L79H-N 119.454 9.009 V80H-N 124.955 8.773 C81H-N 123.906 8.958 F82H-N 117.833 8.806 S83H-N 113.399 8.004 V84H-N 120.837 8.611 V85H-N 107.832 7.523 S86H-N 112.604 7.71 S89H-N 120.719 7.971 F90H-N 125.418 7.377 E91H-N 119.446 8.063 N92H-N 114.476 8.039 N92HD21-ND2 116.43 6.669 N92HD22-ND2 116.43 10.192 V93H-N 124.077 7.786 K94H-N 115.288 6.553 E95H-N 112.788 7.589 K96H-N 115.929 8.034 W97H-N 120.052 7.644 W97HE1-NE1 133.175 11.579 V98H-N 116.691 8.532 E100H-N 117.043 7.476 I101H-N 113.113 8.149 T102H-N 112.943 7.775 H103H-N 119.483 7.501 H104H-N 113.599 7.122 C105H-N 117.243 8.407 K107H-N 116.062 8.724 T108H-N 120.239 7.505 F110H-N 112.761 8.147 L111H-N 120.44 8.655 L112H-N 122.272 8.013 V113H-N 126.163 9.192 G114H-N 115.329 8.692 T115H-N 115.673 9.134 Q116H-N 108.737 9.361 I117H-N 106.247 7.56 D118H-N 119.047 8.666 L119H-N 117.849 7.836 R120H-N 116.948 7.198 D121H-N 111.715 7.039 D122H-N 122.315 7.182 S124H-N 112.593 8.248 T125H-N 121.929 7.839 I126H-N 121.522 8.149 E127H-N 120.384 8.182 K128H-N 120.798 7.825 L129H-N 118.712 8.045 A130H-N 122.599 8.42 K131H-N 120.488 7.982 N132H-N 115.784 7.341 N132HD21-ND2 112.411 6.844 N132HD22-ND2 112.411 7.357 K133H-N 114.178 8.032 Q134H-N 116.063 8.029 Q134HE21-NE2 110.255 6.744 Q134HE22-NE2 110.255 7.39 K135H-N 118.811 7.898 I137H-N 122.334 9.053 T138H-N 118.625 7.933 E140H-N 114.854 8.483 T141H-N 118.414 7.51 A142H-N 125.641 7.499 E143H-N 118.151 8.702 K144H-N 119.067 7.238 L145H-N 119.82 7.242 A146H-N 118.962 8.401 R147H-N 116.301 7.656 D148H-N 122.123 8.374 L149H-N 115.383 8.302 K150H-N 111.914 7.56 A151H-N 119.78 8.17 V152H-N 120.504 8.653 K153H-N 108.976 6.815 Y154H-N 120.514 8.531 V155H-N 121.848 8.203 E156H-N 113.478 7.873 C157H-N 112.182 8.779 S158H-N 110.498 8.174 A159H-N 132.552 9.253 L160H-N 117.8 7.318 T161H-N 106.352 7.995 Q162H-N 113.771 7.49 Q162HE21-NE2 110.139 7.739 Q162HE22-NE2 110.139 7.466 K163H-N 124.363 7.819 G164H-N 114.728 8.91 L165H-N 121.63 7.396 K166H-N 117.317 7.904 N167H-N 113.728 7.702 N167HD21-ND2 114.051 7.831 N167HD22-ND2 114.051 7.214 V168H-N 116.434 7.271 F169H-N 114.52 6.588 D170H-N 121.358 8.993 E171H-N 114.896 7.93 A172H-N 123.961 8.197 I173H-N 116.35 7.798 L174H-N 117.285 7.876 A175H-N 118.888 7.827 A176H-N 116.609 7.523 L177H-N 115.379 7.497 E178H-N 120.294 7.628 E181H-N 121.136 8.207 K183H-N 122.056 8.348 K184H-N 127.902 7.897 S2H-N 114.078 8.518 I3H-N 122.245 8.711 C4H-N 125.574 9.015 H5H-N 126.83 9.43 V6H-N 123.888 7.39 H7H-N 115.604 9.014 R8H-N 118.873 7.031 R8HE-NE 80.111 7.336 D10H-N 113.321 9.244 W11H-N 122.82 8.057 W11HE1-NE1 128.731 10.253 C13H-N 118.394 8.66 A14H-N 124.503 8.331 Y15H-N 121.416 8.511 R16H-N 128.518 7.288 R16HE-NE 83.084 7.327