Assignment w1 w2 T3H-N 114.56 8.308 I4H-N 124.18 9.014 K5H-N 129.97 10.734 C6H-N 129.98 9.531 V7H-N 128.74 7.993 V8H-N 126.04 8.63 V9H-N 117.24 9.011 G10H-N 106.55 6.922 D11H-N 116.92 8.361 G12H-N 104.01 8.711 A13H-N 121.71 9.406 G15H-N 108.42 8.647 K16H-N 124.7 9.435 T17H-N 118.65 9.331 C18H-N 119.3 9.979 L19H-N 119.63 8.227 L20H-N 116.62 7.703 I21H-N 120.97 9.297 S22H-N 118.3 8.977 Y23H-N 116.94 7.715 T24H-N 102.13 7.647 T25H-N 106.51 7.728 N26H-N 114.83 7.698 N26HD21-ND2 111.87 6.875 N26HD22-ND2 111.87 7.428 K27H-N 116.97 7.159 F28H-N 119.68 8.207 S30H-N 117.75 8.28 E31H-N 119.04 7.781 Y32H-N 122.06 8.873 V33H-N 132.1 8.47 T35H-N 126.67 10.452 V36H-N 123.68 8.406 F37H-N 111.29 7.233 D38H-N 124.6 7.843 N39H-N 115.68 8.198 N39HD21-ND2 106.53 5.781 N39HD22-ND2 106.53 5.927 Y40H-N 123.49 8.871 A41H-N 123.35 9.031 V42H-N 108.58 8.255 T43H-N 116.97 9.178 V44H-N 120.3 9.139 M45H-N 120.44 8.652 I46H-N 124.4 9.292 G47H-N 118.11 9.417 G48H-N 103.81 8.604 E49H-N 119.99 7.785 Y51H-N 122.33 9.44 T52H-N 115.7 8.813 L53H-N 130.46 9.729 G54H-N 114.38 9.731 L55H-N 124.39 9.326 F56H-N 127.12 9.535 D57H-N 125.08 8.902 T58H-N 108.86 6.917 A59H-N 118.43 7.727 L61H-N 120.61 8.548 E62H-N 121.29 9.049 D63H-N 116.04 8.478 Y64H-N 113.57 7.229 D65H-N 121.51 8.003 R66H-N 114.23 8.718 L67H-N 115.02 7.244 R68H-N 120.23 7.57 L70H-N 116.69 6.95 S71H-N 108.96 7.4 Y72H-N 119.08 6.99 Q74H-N 114.27 9.153 Q74HE21-NE2 110.84 6.881 Q74HE22-NE2 110.84 7.619 T75H-N 116.14 7.451 D76H-N 122.38 8.647 V77H-N 115.09 7.641 F78H-N 121.65 8.474 L79H-N 118.33 9.151 V80H-N 124.0 8.883 C81H-N 122.95 9.068 F82H-N 117.02 9.012 S83H-N 112.53 8.17 V84H-N 120.01 8.783 V85H-N 107.18 7.678 S86H-N 111.6 7.858 S88H-N 112.9 9.008 S89H-N 119.88 8.128 F90H-N 124.51 7.529 E91H-N 118.52 8.189 N92H-N 113.68 8.191 N92HD21-ND2 115.45 6.807 N92HD22-ND2 115.45 10.332 V93H-N 123.07 7.927 K94H-N 114.32 6.68 E95H-N 111.89 7.739 K96H-N 114.99 8.179 W97H-N 118.91 7.762 W97HE1-NE1 132.3 11.702 V98H-N 115.68 8.682 E100H-N 115.9 7.592 I101H-N 112.48 8.3 T102H-N 111.85 7.94 H103H-N 117.89 7.672 H104H-N 112.92 7.271 C105H-N 116.44 8.559 K107H-N 115.28 8.863 T108H-N 119.32 7.588 F110H-N 112.22 8.292 L111H-N 120.07 8.788 L112H-N 121.33 8.127 V113H-N 125.19 9.328 G114H-N 114.41 8.853 T115H-N 114.86 9.269 Q116H-N 107.83 9.533 I117H-N 105.47 7.738 D118H-N 118.15 8.828 L119H-N 116.99 7.988 R120H-N 116.08 7.353 D121H-N 110.83 7.185 D122H-N 121.41 7.326 S124H-N 111.74 8.402 T125H-N 121.06 7.994 I126H-N 120.65 8.304 E127H-N 119.49 8.324 K128H-N 119.97 7.981 L129H-N 117.79 8.203 A130H-N 121.72 8.575 K131H-N 119.65 8.146 N132H-N 114.93 7.487 N132HD21-ND2 111.35 6.986 N132HD22-ND2 111.35 7.5 K133H-N 113.25 8.176 Q134H-N 115.26 8.187 Q134HE21-NE2 109.25 6.882 Q134HE22-NE2 109.25 7.528 K135H-N 117.94 8.046 I137H-N 121.45 9.214 T138H-N 117.66 8.072 E140H-N 113.95 8.644 T141H-N 117.55 7.651 A142H-N 124.73 7.625 E143H-N 117.29 8.862 K144H-N 118.16 7.381 L145H-N 118.88 7.383 A146H-N 118.11 8.545 R147H-N 115.39 7.802 D148H-N 121.34 8.538 L149H-N 114.58 8.45 K150H-N 110.99 7.7 A151H-N 118.95 8.292 V152H-N 119.67 8.84 K153H-N 107.23 6.953 Y154H-N 119.31 8.703 V155H-N 120.85 8.331 E156H-N 112.43 8.125 C157H-N 110.98 8.846 S158H-N 109.22 8.303 A159H-N 131.66 9.429 L160H-N 117.5 7.503 T161H-N 105.46 8.108 Q162H-N 111.37 7.494 Q162HE21-NE2 112.76 7.159 Q162HE22-NE2 112.76 7.483 K163H-N 123.36 7.933 G164H-N 113.92 9.224 L165H-N 120.42 7.481 K166H-N 117.28 8.732 N167H-N 112.45 8.072 N167HD21-ND2 113.17 7.35 N167HD22-ND2 113.17 8.004 V168H-N 115.6 7.384 F169H-N 114.28 6.621 D170H-N 120.99 9.028 E171H-N 114.3 8.087 A172H-N 123.56 8.104 I173H-N 117.35 8.554 L174H-N 116.57 8.2 A175H-N 118.67 7.91 A176H-N 116.57 7.898 L177H-N 114.3 7.769 E178H-N 119.7 7.739 E181H-N 120.05 8.32 K183H-N 121.21 8.501 K184H-N 127.07 8.045 S2H-N 115.49 8.751 I3H-N 124.45 8.5 S4H-N 125.93 8.932 L5H-N 117.35 8.234 S7H-N 115.25 9.163 D8H-N 115.82 8.796 F9H-N 116.56 8.117 E10H-N 126.68 8.676 H11H-N 124.38 8.998 T12H-N 119.09 8.066 I13H-N 117.85 7.37 H14H-N 125.58 8.876 V15H-N 127.78 8.383 G16H-N 114.32 8.647 F17H-N 119.22 8.605 D18H-N 128.17 7.982 A19H-N 126.35 8.571 V20H-N 117.67 8.265 T21H-N 107.33 7.363 G22H-N 111.68 8.407 E23H-N 117.37 7.126 F24H-N 118.85 8.79 T25H-N 114.56 8.977 G26H-N 109.88 8.786 M27H-N 118.09 8.133 E29H-N 127.11 9.063 Q30H-N 115.8 9.128 Q30HE21-NE2 111.6 6.991 Q30HE22-NE2 111.6 7.595 W31H-N 117.85 7.279 W31HE1-NE1 127.27 9.778 A32H-N 121.03 8.128 R33H-N 115.1 7.893 R33HE-NE 84.04 7.457 L34H-N 119.6 7.616 L35H-N 118.5 7.996 Q36H-N 117.83 7.759 Q36HE21-NE2 111.39 6.942 Q36HE22-NE2 111.39 7.574 T37H-N 112.8 8.074 S38H-N 116.96 8.226 N39H-N 120.37 8.449 N39HD21-ND2 112.18 6.968 N39HD22-ND2 112.18 7.647 I40H-N 120.33 8.127 T41H-N 118.12 8.274 K42H-N 123.86 8.404 S43H-N 117.03 8.417 E44H-N 122.49 8.523 Q45H-N 121.82 8.402 Q45HE21-NE2 112.58 6.912 Q45HE22-NE2 112.58 7.678 K46H-N 128.51 8.092