Assignment w1 w2 T3H-N 114.489 8.205 G4H-N 110.934 8.273 T5H-N 114.055 8.006 K6H-N 124.921 8.517 I7H-N 125.415 8.408 T8H-N 121.934 8.299 F9H-N 125.254 8.653 Y10H-N 118.06 8.989 E11H-N 120.911 9.149 D12H-N 115.331 8.049 K13H-N 118.157 8.557 N14H-N 113.148 9.206 N14HD21-ND2 112.382 7.398 N14HD22-ND2 112.382 6.708 F15H-N 112.215 7.965 Q16H-N 116.706 6.251 Q16HE21-NE2 112.619 7.182 Q16HE22-NE2 112.619 6.824 G17H-N 105.257 8.281 R18H-N 119.525 8.462 R18HE-NE 85.105 7.358 R19H-N 118.117 8.075 R19HE-NE 86.02 7.604 Y20H-N 123.132 8.893 D21H-N 126.63 7.458 C22H-N 118.47 8.705 D23H-N 122.324 8.475 S24H-N 113.981 8.103 D25H-N 119.02 8.086 C26H-N 123.17 9.413 A27H-N 130.819 9.156 D28H-N 113.254 7.59 F29H-N 123.81 8.592 H30H-N 122.781 8.745 T31H-N 110.298 7.523 Y32H-N 119.718 7.265 L33H-N 118.504 7.342 S34H-N 120.38 9.438 R35H-N 117.597 7.922 R35HE-NE 85.012 6.865 C36H-N 117.919 9.677 N37H-N 121.79 8.485 N37HD21-ND2 115.906 8.496 N37HD22-ND2 115.906 8.074 S38H-N 109.022 8.373 I39H-N 119.113 9.045 K40H-N 125.434 9.004 V41H-N 126.125 9.271 E42H-N 128.129 8.525 G43H-N 108.184 8.341 G44H-N 111.009 8.031 T45H-N 113.733 7.972 W46H-N 126.495 8.537 W46HE1-NE1 127.379 9.425 A47H-N 125.046 9.488 V48H-N 117.799 9.046 Y49H-N 119.64 8.851 E50H-N 124.184 9.561 R51H-N 114.277 8.234 N53H-N 113.931 9.855 N53HD21-ND2 113.038 7.281 N53HD22-ND2 113.038 6.722 F54H-N 112.163 7.391 A55H-N 121.303 6.34 G56H-N 105.264 8.342 Y57H-N 121.249 8.288 M58H-N 119.299 7.719 Y59H-N 119.849 8.582 I60H-N 122.918 8.156 L61H-N 131.595 9.579 Q63H-N 120.592 8.498 Q63HE21-NE2 111.817 7.515 Q63HE22-NE2 111.817 6.847 G64H-N 111.423 8.634 E65H-N 117.421 8.201 Y66H-N 118.958 9.205 E68H-N 112.339 6.908 Y69H-N 121.31 8.312 Q70H-N 123.339 8.391 Q70HE21-NE2 109.321 7.112 Q70HE22-NE2 109.321 6.196 R71H-N 117.393 7.989 R71HE-NE 83.569 7.682 W72H-N 116.395 7.246 W72HE1-NE1 130.173 9.922 M73H-N 113.201 7.629 G74H-N 105.395 7.514 L75H-N 120.927 7.53 N76H-N 112.014 7.297 N76HD21-ND2 115.475 7.746 N76HD22-ND2 115.475 7.165 D77H-N 114.539 7.725 R78H-N 119.012 7.831 R78HE-NE 85.364 7.314 L79H-N 122.66 7.096 S80H-N 109.204 8.693 S81H-N 109.926 7.648 C82H-N 112.909 9.684 R83H-N 119.517 10.06 R83HE-NE 83.746 6.57 A84H-N 127.508 8.216 V85H-N 122.867 8.002 H86H-N 126.303 8.474 L87H-N 126.5 8.539 S89H-N 117.792 8.596 G90H-N 111.213 8.528 G91H-N 107.173 7.964 Q92H-N 118.304 7.788 Q92HE21-NE2 112.507 7.466 Q92HE22-NE2 112.507 6.801 Y93H-N 118.987 8.274 K94H-N 122.633 9.082 I95H-N 128.646 8.979 Q96H-N 122.795 8.691 Q96HE21-NE2 109.225 7.905 Q96HE22-NE2 109.225 6.316 I97H-N 116.405 8.786 F98H-N 117.437 8.065 E99H-N 120.771 8.776 K100H-N 112.706 7.828 G101H-N 106.616 8.504 D102H-N 114.806 8.944 F103H-N 111.512 7.866 S104H-N 113.423 6.463 G105H-N 106.014 8.249 Q106H-N 120.695 8.768 Q106HE21-NE2 113.776 6.925 Q106HE22-NE2 113.776 6.835 M107H-N 124.046 7.595 Y108H-N 122.124 8.194 E109H-N 122.861 8.692 T110H-N 118.075 8.838 T111H-N 114.96 8.076 E112H-N 121.915 8.409 D113H-N 118.648 8.212 C114H-N 121.075 8.951 S116H-N 111.648 7.12 I117H-N 131.621 8.642 M118H-N 123.592 8.871 E119H-N 117.625 7.606 Q120H-N 113.937 7.276 Q120HE21-NE2 111.005 6.965 Q120HE22-NE2 111.005 6.745 F121H-N 113.613 7.781 H122H-N 114.473 7.483 M123H-N 115.655 6.907 R124H-N 118.49 8.81 E125H-N 115.363 7.554 I126H-N 118.963 8.09 H127H-N 120.555 7.717 S128H-N 105.775 7.934 C129H-N 115.026 9.883 K130H-N 122.989 9.497 G134H-N 113.092 8.99 V135H-N 115.317 6.319 I137H-N 119.369 9.432 F138H-N 125.43 8.925 Y139H-N 116.716 8.938 E140H-N 122.163 9.17 L141H-N 113.541 8.039 N143H-N 112.926 9.632 N143HD21-ND2 112.04 7.27 N143HD22-ND2 112.04 6.698 Y144H-N 112.04 7.843 R145H-N 116.574 6.143 G146H-N 105.575 8.278 R147H-N 120.743 8.556 R147HE-NE 85.706 7.471 Q148H-N 119.155 7.918 Q148HE21-NE2 112.718 8.114 Q148HE22-NE2 112.718 7.751 Y149H-N 116.564 8.698 L150H-N 125.591 8.194 L151H-N 131.052 9.274 E155H-N 116.151 7.834 R157H-N 124.768 8.956 R157HE-NE 85.934 7.54 K158H-N 115.156 7.817 I160H-N 113.786 7.007 D161H-N 123.886 8.134 W162H-N 116.719 7.602 W162HE1-NE1 130.194 9.595 G163H-N 108.02 7.778 A164H-N 123.991 7.074 A165H-N 121.635 8.52 S166H-N 113.949 7.623 A168H-N 123.367 7.417 V169H-N 126.184 7.304 Q170H-N 118.814 8.492 Q170HE21-NE2 114.092 7.625 Q170HE22-NE2 114.092 7.011 S171H-N 112.048 8.34 F172H-N 111.822 8.896 R173H-N 116.161 9.508 R173HE-NE 84.316 6.678 R174H-N 121.943 8.482 R174HE-NE 85.756 6.783 I175H-N 121.412 7.806 V176H-N 124.225 7.947 E177H-N 127.974 7.852