Assignment w1 w2 K1H-N 122.586 8.407 G2H-N 109.106 8.346 D3H-N 120.141 8.198 G4H-N 108.898 8.44 G5H-N 108.104 8.333 L6H-N 120.54 8.187 Y7H-N 127.1 8.974 S8H-N 111.5 9.27 S9H-N 115.808 7.462 L10H-N 123.827 7.511 A13H-N 117.53 8.626 K14H-N 117.312 7.258 R15H-N 118.684 7.411 E16H-N 117.953 8.294 E17H-N 119.703 7.429 V18H-N 119.436 7.904 E19H-N 118.177 8.086 K20H-N 118.873 8.308 L21H-N 120.6 8.0 L22H-N 117.8 8.183 N23H-N 119.049 8.624 N23HD21-ND2 112.983 6.691 N23HD22-ND2 112.983 7.609 G24H-N 104.812 7.762 S25H-N 115.46 7.509 A26H-N 124.24 8.364 G27H-N 109.106 8.661 D28H-N 119.049 8.476 T29H-N 116.66 7.916 W30H-N 119.035 8.354 W30HE1-NE1 130.39 10.302 R31H-N 122.07 6.301 R31HE-NE 83.9 7.077 H32H-N 118.96 7.521 L33H-N 121.01 8.429 A34H-N 118.85 8.363 G35H-N 103.955 7.63 E36H-N 122.067 7.704 L37H-N 117.757 7.772 G38H-N 105.772 7.628 Y39H-N 119.48 7.941 Q40H-N 122.67 9.344 Q40HE21-NE2 113.31 6.86 Q40HE22-NE2 113.31 7.445 E42H-N 116.43 9.459 H43H-N 119.16 7.584 I44H-N 120.545 7.962 D45H-N 117.97 8.136 S46H-N 115.35 7.51 F47H-N 120.086 7.729 T48H-N 109.93 7.785 H49H-N 115.65 7.582 E50H-N 119.32 7.24 A51H-N 123.264 8.61 C52H-N 114.452 8.031 V54H-N 113.842 7.927 R55H-N 120.34 6.995 R55HE-NE 84.7 7.462 A56H-N 121.897 7.358 L57H-N 120.877 8.015 L58H-N 117.449 7.957 A59H-N 120.62 8.09 S60H-N 111.948 7.457 W61H-N 125.462 9.01 W61HE1-NE1 130.16 10.267 A62H-N 114.656 8.293 T63H-N 106.368 7.229 Q64H-N 121.042 7.686 Q64HE21-NE2 110.94 7.177 Q64HE22-NE2 110.94 6.939 D65H-N 121.338 8.627 S66H-N 108.63 7.46 A67H-N 127.5 7.086 T68H-N 115.226 7.752 L69H-N 122.158 8.828 D70H-N 116.933 8.689 A71H-N 123.189 8.256 L72H-N 121.86 7.965 L73H-N 117.5 8.643 A74H-N 120.06 8.166 A75H-N 121.309 7.617 L76H-N 116.582 8.02 R77H-N 118.357 7.954 R78H-N 120.185 7.914 R78HE-NE 84.609 8.15 I79H-N 110.57 7.292 Q80H-N 113.814 7.744 Q80HE21-NE2 112.259 7.373 Q80HE22-NE2 112.259 6.719 R81H-N 117.066 8.014 A82H-N 123.08 8.138 D83H-N 116.675 8.925 L84H-N 121.055 7.494 V85H-N 117.882 7.148 E86H-N 118.409 8.018 S87H-N 113.826 7.685 L88H-N 120.266 7.762 C89H-N 116.023 7.879 S90H-N 116.434 7.826 E91H-N 122.202 8.349 S92H-N 116.421 8.303 T93H-N 115.609 8.134 A94H-N 126.089 8.21 T95H-N 112.796 8.037 S96H-N 119.3 8.173 V98H-N 123.083 7.616 G1H-N 112.1 8.462 I2H-N 120.964 7.918 A3H-N 130.09 11.72 Q4H-N 120.99 9.827 Q4HE21-NE2 112.081 7.003 Q4HE22-NE2 112.081 7.47 Q5H-N 118.1 8.519 Q5HE21-NE2 111.51 7.255 Q5HE22-NE2 111.51 6.737 W6H-N 123.53 8.24 W6HE1-NE1 129.5 10.412 I7H-N 119.539 8.633 Q8H-N 115.903 7.947 Q8HE21-NE2 111.362 7.551 Q8HE22-NE2 111.362 6.777 S9H-N 114.549 7.96 K10H-N 120.07 7.244 R11H-N 122.46 6.859 R11HE-NE 84.59 7.54 E12H-N 115.146 8.422 D13H-N 119.47 7.447 I14H-N 120.65 8.255 V15H-N 119.48 8.057 N16H-N 113.947 7.703 N16HD21-ND2 113.578 6.911 N16HD22-ND2 113.578 7.655 Q17H-N 115.26 8.166 Q17HE21-NE2 108.73 7.351 Q17HE22-NE2 108.73 6.039 M18H-N 122.494 8.969 T19H-N 119.81 9.068 E20H-N 121.4 9.134 A21H-N 120.17 8.298 C22H-N 119.4 7.996 L23H-N 124.988 8.56 N24H-N 119.04 8.548 N24HD21-ND2 111.661 7.335 N24HD22-ND2 111.661 6.932 Q25H-N 118.654 8.465 Q25HE21-NE2 111.149 7.376 Q25HE22-NE2 111.149 6.846 S26H-N 118.657 8.619 L27H-N 121.907 8.31 D28H-N 117.799 8.075 A29H-N 123.542 7.981 L30H-N 119.0 8.422 L31H-N 122.068 8.5 S32H-N 116.1 8.314 R33H-N 118.34 7.172 R33HE-NE 84.28 7.275 D34H-N 117.31 8.124 L35H-N 114.85 8.28 I36H-N 114.559 7.087 M37H-N 126.036 9.48 K38H-N 124.8 9.07 E39H-N 117.38 9.45 D40H-N 118.959 6.992 Y41H-N 122.9 8.42 E42H-N 120.5 8.701 L43H-N 121.48 7.824 V44H-N 116.18 7.71 S45H-N 110.623 7.988 T46H-N 107.485 7.58 K47H-N 123.73 7.265 T49H-N 106.17 6.983 R50H-N 123.8 9.018 R50HE-NE 81.52 7.409 T51H-N 108.16 8.145 S52H-N 115.791 7.543 K53H-N 124.912 8.357 V54H-N 118.36 8.49 R55H-N 118.62 8.548 R55HE-NE 82.95 7.347 Q56H-N 117.242 7.747 Q56HE21-NE2 116.88 7.617 Q56HE22-NE2 116.88 7.26 L57H-N 122.7 8.52 L58H-N 120.36 8.65 D59H-N 123.3 8.63 T60H-N 117.307 8.014 T61H-N 119.67 7.956 D62H-N 119.75 7.5 I63H-N 115.2 6.97 Q64H-N 117.979 7.708 Q64HE21-NE2 113.093 7.351 Q64HE22-NE2 113.093 6.91 G65H-N 106.7 8.17 E66H-N 121.15 8.35 E67H-N 118.263 8.689 F68H-N 120.8 7.65 A69H-N 118.9 7.967 K70H-N 116.851 8.79 V71H-N 118.46 7.174 I72H-N 118.6 6.938 V73H-N 117.817 8.194 Q74H-N 117.151 7.972 Q74HE21-NE2 114.8 7.77 Q74HE22-NE2 114.8 6.668 K75H-N 117.073 8.166 L76H-N 124.643 8.424 K77H-N 120.29 7.679 D78H-N 122.467 9.04 N79H-N 116.669 7.687 N79HD21-ND2 113.235 7.823 N79HD22-ND2 113.235 7.465 K80H-N 116.647 8.21 Q81H-N 118.0 7.468 Q81HE21-NE2 106.0 7.382 Q81HE22-NE2 106.0 6.886 M82H-N 124.25 8.45 G83H-N 109.14 8.769 L84H-N 117.998 6.86 Q85H-N 116.86 7.053 Q85HE21-NE2 111.429 6.973 Q85HE22-NE2 111.429 7.491 Y87H-N 122.73 8.734 E89H-N 122.867 8.537 I90H-N 121.378 7.855 L91H-N 126.0 8.18 V92H-N 122.73 8.14 V93H-N 124.85 8.21 S94H-N 120.332 8.366 R95H-N 123.446 8.344 S96H-N 118.88 8.34 S98H-N 115.58 8.221 L99H-N 124.05 8.134 N100H-N 119.267 8.309 N100HD21-ND2 112.7 7.54 N100HD22-ND2 112.7 6.85 L101H-N 122.38 8.075 L102H-N 121.792 8.05 Q103H-N 120.22 8.116 Q103HE21-NE2 112.26 6.801 Q103HE22-NE2 112.26 7.466 N104H-N 119.95 8.325 N104HD21-ND2 112.8 7.54 N104HD22-ND2 112.8 6.848 K105H-N 122.22 8.214 S106H-N 123.099 7.952