Assignment w1 w2 S3H-N 116.858 8.455 D4H-N 121.375 8.155 V5H-N 122.3 8.855 R6H-N 128.646 8.827 I7H-N 124.288 8.782 K8H-N 128.387 8.842 F9H-N 126.001 9.008 E10H-N 120.596 8.627 H11H-N 122.451 8.821 N12H-N 128.002 9.334 N12HD21-ND2 111.932 6.629 N12HD22-ND2 111.932 7.345 G13H-N 105.462 8.703 E14H-N 121.741 8.021 R15H-N 123.531 8.763 R16H-N 122.707 9.069 R16HE-NE 111.531 7.236 I17H-N 125.111 8.851 I18H-N 130.177 9.369 A19H-N 129.152 8.39 F20H-N 120.658 9.195 S21H-N 118.51 8.457 R22H-N 121.047 8.56 R22HE-NE 111.659 6.873 V24H-N 125.76 8.937 K25H-N 129.227 9.162 Y26H-N 127.926 9.88 E27H-N 116.255 9.761 D28H-N 119.499 7.096 V29H-N 122.68 7.337 E30H-N 118.62 8.417 H31H-N 116.907 8.162 K32H-N 120.472 7.974 V33H-N 118.551 8.281 T34H-N 115.879 8.385 T35H-N 113.041 7.665 V36H-N 120.035 7.913 F37H-N 116.309 8.364 G38H-N 108.554 7.809 Q39H-N 112.79 7.952 Q39HE21-NE2 112.074 7.554 Q39HE22-NE2 112.074 6.938 L41H-N 125.589 8.596 D42H-N 121.286 9.034 L43H-N 123.362 9.053 H44H-N 122.9 8.736 Y45H-N 125.447 9.274 M46H-N 124.845 8.082 N47H-N 121.602 8.327 N47HD21-ND2 111.358 7.316 N47HD22-ND2 111.358 6.955 N48H-N 121.951 8.88 N48HD21-ND2 113.501 7.573 N48HD22-ND2 113.501 6.887 E49H-N 118.355 8.829 L50H-N 122.245 7.867 S51H-N 117.948 8.171 I52H-N 125.508 9.077 L53H-N 128.175 8.296 L54H-N 125.711 8.866 K55H-N 125.189 9.909 N56H-N 113.683 7.155 N56HD21-ND2 112.603 7.234 N56HD22-ND2 112.603 6.775 Q57H-N 117.229 8.419 Q57HE21-NE2 119.777 8.79 Q57HE22-NE2 119.777 7.678 D58H-N 118.923 7.91 D59H-N 119.406 8.183 L60H-N 120.465 7.662 D61H-N 120.219 9.169 K62H-N 120.697 7.79 A63H-N 122.662 7.417 I64H-N 118.684 8.324 D65H-N 120.243 8.034 I66H-N 118.675 7.45 L67H-N 122.816 7.577 D68H-N 119.226 8.867 R69H-N 117.884 7.823 S70H-N 115.923 7.667 S71H-N 119.819 8.754 S72H-N 114.892 8.312 M73H-N 122.724 8.154 K74H-N 121.639 8.778 S75H-N 112.946 7.808 L76H-N 122.368 8.591 R77H-N 128.15 8.789 I78H-N 126.488 8.544 L79H-N 130.567 9.173 L80H-N 125.07 8.752 L81H-N 124.051 8.506 S82H-N 116.999 8.736 Q83H-N 123.652 8.255 Q83HE21-NE2 111.559 7.462 Q83HE22-NE2 111.559 6.723 D84H-N 121.79 8.479 R85H-N 122.085 8.282 N86H-N 118.735 8.46 N86HD21-ND2 113.519 7.705 N86HD22-ND2 113.519 6.915