Assignment w1 w2 A2H-N 129.55 8.238 D3H-N 118.671 8.316 D4H-N 121.157 8.066 S6H-N 115.281 8.434 A7H-N 125.427 7.978 A8H-N 121.965 8.032 D9H-N 118.961 8.098 R10H-N 121.849 8.192 N11H-N 117.683 8.229 N11HD21-ND2 113.183 7.676 N11HD22-ND2 113.183 6.916 V12H-N 121.316 7.855 E13H-N 119.897 7.828 I14H-N 120.26 7.894 W15H-N 120.258 7.884 W15HE1-NE1 129.214 10.136 K16H-N 118.625 8.046 I17H-N 120.137 7.752 K18H-N 121.121 8.402 K19H-N 118.522 7.788 L20H-N 122.414 7.671 I21H-N 118.974 8.596 K22H-N 117.209 7.478 S23H-N 114.414 7.775 L24H-N 121.125 8.24 E25H-N 119.429 8.486 A26H-N 118.498 7.304 A27H-N 120.789 6.99 R28H-N 123.612 8.809 G29H-N 108.834 8.12 N30H-N 119.448 8.51 N30HD21-ND2 112.103 6.745 N30HD22-ND2 112.103 7.571 G31H-N 110.112 8.155 T32H-N 113.361 8.125 S33H-N 114.669 7.667 M34H-N 120.948 8.615 I35H-N 126.234 9.686 S36H-N 122.01 8.498 L37H-N 127.653 8.806 I38H-N 125.925 9.214 I39H-N 129.218 9.232 K42H-N 112.826 8.104 D43H-N 121.025 7.447 Q44H-N 116.98 9.4 Q44HE21-NE2 112.745 7.443 Q44HE22-NE2 112.745 6.787 I45H-N 126.367 8.896 S46H-N 113.117 8.564 R47H-N 123.926 6.954 V48H-N 121.478 7.39 A49H-N 121.362 8.867 K50H-N 119.979 7.532 M51H-N 121.192 7.766 L52H-N 119.178 8.341 A53H-N 122.654 7.846 D54H-N 122.465 8.372 E55H-N 121.547 8.396 F56H-N 122.847 8.845 G57H-N 106.766 8.118 T58H-N 118.51 8.136 A59H-N 125.742 8.532 S60H-N 111.874 7.631 N61H-N 116.569 7.498 N61HD21-ND2 113.989 7.471 N61HD22-ND2 113.989 6.944 I62H-N 123.349 7.594 K63H-N 128.149 8.53 S64H-N 113.837 7.72 R65H-N 131.168 8.843 V66H-N 116.499 8.081 N67H-N 119.071 7.517 N67HD21-ND2 111.191 7.53 N67HD22-ND2 111.191 6.942 R68H-N 121.424 8.617 L69H-N 116.154 8.251 S70H-N 116.231 7.776 V71H-N 124.054 8.074 L72H-N 118.256 8.504 G73H-N 106.122 8.168 A74H-N 126.721 7.799 I75H-N 119.066 8.761 T76H-N 115.188 8.488 S77H-N 117.964 7.907 V78H-N 123.707 8.24 Q79H-N 119.165 8.785 Q79HE21-NE2 108.961 7.088 Q79HE22-NE2 108.961 6.497 Q80H-N 116.26 7.994 Q80HE21-NE2 111.868 7.338 Q80HE22-NE2 111.868 6.855 R81H-N 118.448 7.654 R81HE-NE 82.449 7.793 L82H-N 116.778 8.281 K83H-N 114.654 7.21 L84H-N 117.279 7.383 Y85H-N 119.156 7.777 N86H-N 114.743 7.764 N86HD21-ND2 112.726 7.584 N86HD22-ND2 112.726 6.895 K87H-N 115.723 7.752 V88H-N 124.643 8.472 N91H-N 112.19 9.227 N91HD21-ND2 106.737 6.225 N91HD22-ND2 106.737 7.038 G92H-N 108.202 7.955 L93H-N 116.921 8.674 V94H-N 125.788 8.212 V95H-N 125.167 8.874 Y96H-N 123.256 8.736 C97H-N 119.23 8.71 G98H-N 111.517 8.949 T99H-N 118.145 8.032 I100H-N 122.297 8.993 V101H-N 120.403 8.436 T102H-N 118.137 8.983 E103H-N 121.413 9.388 E104H-N 115.523 7.868 G105H-N 108.488 8.187 K106H-N 119.06 7.071 E107H-N 121.186 8.479 K108H-N 124.475 9.036 K109H-N 124.525 8.688 V110H-N 124.37 8.943 N111H-N 125.928 8.87 N111HD21-ND2 111.371 7.666 N111HD22-ND2 111.371 6.477 I112H-N 125.527 9.049 D113H-N 122.103 8.185 F114H-N 115.681 8.759 E115H-N 123.969 8.682 F117H-N 115.81 7.708 K118H-N 118.362 7.026 I120H-N 121.795 7.662 N121H-N 121.422 8.252 N121HD21-ND2 112.339 7.447 N121HD22-ND2 112.339 6.673 T122H-N 114.573 7.065 S123H-N 115.764 7.883 L124H-N 126.453 8.506 Y125H-N 125.55 8.291 L126H-N 128.108 8.24 C127H-N 124.036 8.402 D128H-N 127.604 9.313 N129H-N 119.152 9.437 N129HD21-ND2 109.868 7.474 N129HD22-ND2 109.868 6.629 K130H-N 113.353 7.197 F131H-N 120.593 9.513 H132H-N 121.459 8.991 T133H-N 116.721 8.742 E134H-N 127.904 9.788 A135H-N 121.101 9.046 L136H-N 115.943 7.659 T137H-N 116.62 7.999 A138H-N 123.9 7.949 L139H-N 118.721 7.483 L140H-N 116.629 7.789 S141H-N 114.25 7.845 D142H-N 121.24 8.048 L143H-N 119.913 7.959 E144H-N 118.71 8.185 H145H-N 118.379 8.013 H146H-N 125.471 7.97