Assignment w1 w2 D5H-N 121.255 8.304 N6H-N 118.609 8.412 N6HD21-ND2 114.204 7.512 N6HD22-ND2 114.204 6.89 S7H-N 116.19 8.375 D8H-N 119.88 8.132 N9H-N 119.852 7.714 N9HD21-ND2 109.679 7.295 N9HD22-ND2 109.679 7.065 N10H-N 119.872 8.383 N10HD21-ND2 113.371 7.974 N10HD22-ND2 113.371 7.329 T11H-N 119.201 8.552 I12H-N 118.354 8.731 F13H-N 123.778 9.472 V14H-N 127.636 8.786 Q15H-N 122.029 8.682 Q15HE21-NE2 113.374 7.914 Q15HE22-NE2 113.374 6.959 G16H-N 109.268 8.17 L17H-N 117.653 8.433 G18H-N 104.721 7.914 E19H-N 113.25 8.024 N20H-N 116.716 8.338 N20HD21-ND2 113.153 7.573 N20HD22-ND2 113.153 6.929 V21H-N 118.002 6.791 T22H-N 111.275 7.24 I23H-N 122.214 9.01 E24H-N 118.047 8.726 S25H-N 115.586 8.139 V26H-N 124.682 7.935 A27H-N 123.146 8.679 D28H-N 115.407 8.272 Y29H-N 119.134 7.493 F30H-N 112.623 7.959 K31H-N 118.866 8.344 Q32H-N 116.083 7.432 Q32HE21-NE2 111.788 7.593 Q32HE22-NE2 111.788 6.722 I33H-N 116.136 7.775 G34H-N 107.271 7.314 I35H-N 117.78 8.132 I36H-N 131.503 8.588 K37H-N 130.31 8.64 T38H-N 118.474 8.416 N39H-N 124.725 8.82 N39HD21-ND2 114.369 7.643 N39HD22-ND2 114.369 7.204 K40H-N 128.381 8.991 K41H-N 117.495 8.324 T42H-N 105.57 7.485 G43H-N 111.407 8.578 Q44H-N 118.901 7.645 Q44HE21-NE2 112.745 7.494 Q44HE22-NE2 112.745 6.902 M46H-N 124.49 8.809 I47H-N 125.879 7.674 N48H-N 124.613 8.315 N48HD21-ND2 112.398 6.963 N48HD22-ND2 112.398 6.799 L49H-N 121.874 8.43 Y50H-N 121.626 7.333 T51H-N 116.566 9.132 D52H-N 123.487 8.883 R53H-N 128.041 8.931 R53HE-NE 84.305 7.187 E54H-N 117.266 8.509 T55H-N 106.361 7.929 G56H-N 111.394 8.46 K57H-N 119.438 7.696 L58H-N 122.413 8.715 K59H-N 117.997 8.022 G60H-N 108.163 8.297 E61H-N 115.919 7.056 A62H-N 123.714 8.798 T63H-N 107.97 8.246 V64H-N 119.823 8.013 S65H-N 121.695 7.703 F66H-N 122.524 8.999 D67H-N 119.721 8.474 D68H-N 115.912 8.264 S71H-N 114.534 8.006 A72H-N 122.677 7.37 K73H-N 116.159 7.14 A74H-N 119.782 7.878 A75H-N 120.388 8.071 I76H-N 119.71 7.543 D77H-N 117.809 7.891 W78H-N 117.228 8.473 W78HE1-NE1 127.883 9.741 F79H-N 112.071 8.454 D80H-N 118.394 7.948 G81H-N 115.509 8.592 K82H-N 120.132 7.98 E83H-N 115.687 8.125 F84H-N 126.96 9.12 S85H-N 124.83 9.098 G86H-N 103.508 8.373 N87H-N 119.033 7.732 N87HD21-ND2 114.555 7.307 N87HD22-ND2 114.555 6.963 I89H-N 117.187 8.408 K90H-N 122.273 8.34 V91H-N 125.548 9.337 S92H-N 119.515 8.902 F93H-N 120.126 8.827 A94H-N 124.695 8.603 T95H-N 115.549 8.284 R96H-N 123.725 8.4 R96HE-NE 84.725 7.216 R97H-N 123.621 8.626 R97HE-NE 84.615 7.282 A98H-N 123.613 8.315 D99H-N 117.924 8.024 F100H-N 119.512 7.816 N101H-N 120.097 8.221 N101HD21-ND2 112.85 7.509 N101HD22-ND2 112.85 6.839 R102H-N 125.859 7.652