Assignment w1 w2 S4H-N 114.246 8.531 K5H-N 123.488 8.468 L6H-N 121.233 7.707 S7H-N 122.977 9.433 Y8H-N 123.312 9.764 G9H-N 107.177 10.131 E10H-N 122.219 7.876 Y11H-N 120.809 8.384 L12H-N 121.08 9.027 E13H-N 118.475 7.614 S14H-N 115.209 7.329 W15H-N 124.998 8.87 W15HE1-NE1 130.162 10.31 F16H-N 119.825 9.087 N17H-N 115.6 7.768 N17HD21-ND2 113.488 7.682 N17HD22-ND2 113.488 7.076 T18H-N 113.049 7.454 K19H-N 122.614 7.918 R20H-N 116.282 7.845 R20HE-NE 110.057 7.51 H21H-N 115.452 7.163 S22H-N 113.209 7.951 V23H-N 113.108 7.179 G24H-N 108.374 8.189 I25H-N 119.895 8.331 Q26H-N 120.013 8.545 Q26HE21-NE2 112.235 7.491 Q26HE22-NE2 112.235 6.922 T27H-N 117.645 7.944 A28H-N 123.917 8.593 K29H-N 117.474 7.8 V30H-N 121.749 7.591 L31H-N 120.901 8.333 K32H-N 119.075 8.562 G33H-N 105.282 7.694 Y34H-N 121.781 8.015 L35H-N 120.392 8.689 N36H-N 114.623 8.721 N36HD21-ND2 110.544 7.418 N36HD22-ND2 110.544 6.818 S37H-N 110.941 8.511 R38H-N 117.062 7.242 I39H-N 121.214 8.462 I40H-N 119.695 9.339 S42H-N 108.994 6.857 L43H-N 118.715 8.23 G44H-N 105.371 8.498 N45H-N 114.387 8.385 N45HD21-ND2 112.966 7.58 N45HD22-ND2 112.966 6.88 I46H-N 123.998 7.465 K47H-N 126.114 8.717 L48H-N 125.857 8.323 A49H-N 115.543 8.929 K50H-N 114.788 7.684 L51H-N 121.408 6.776 T52H-N 119.481 10.68 S53H-N 116.343 9.278 L54H-N 126.055 7.808 H55H-N 118.683 7.798 M56H-N 114.53 7.375 Q57H-N 120.713 8.387 Q57HE21-NE2 115.313 7.235 Q57HE22-NE2 115.313 7.663 N58H-N 117.39 8.765 N58HD21-ND2 111.466 7.784 N58HD22-ND2 111.466 6.824 Y59H-N 122.335 8.239 V60H-N 119.842 8.416 N61H-N 119.103 8.264 N61HD21-ND2 109.85 7.742 N61HD22-ND2 109.85 6.888 S62H-N 118.254 8.143 L63H-N 123.812 7.664 R64H-N 120.376 7.969 R64HE-NE 110.899 7.197 D65H-N 122.402 8.465 E66H-N 119.076 7.703 G67H-N 105.73 7.861 L68H-N 121.062 7.324 K69H-N 120.12 8.368 R70H-N 123.339 9.095 R70HE-NE 111.621 7.492 G71H-N 104.509 8.985 T72H-N 118.617 7.295 I73H-N 121.692 7.883 E74H-N 117.701 8.723 K75H-N 118.734 7.361 I76H-N 120.312 7.713 I77H-N 118.978 8.587 K78H-N 121.618 8.05 V79H-N 120.254 7.619 I80H-N 119.666 7.885 R81H-N 121.03 9.384 R81HE-NE 111.239 7.017 N82H-N 118.483 8.773 N82HD21-ND2 111.915 7.915 N82HD22-ND2 111.915 7.097 S83H-N 118.286 8.526 L84H-N 127.445 7.782 E85H-N 121.538 8.264 H86H-N 117.087 7.683 A87H-N 121.51 7.197 I88H-N 120.898 7.819 D89H-N 125.174 7.808 L90H-N 117.576 7.607 E91H-N 113.62 8.143 L92H-N 116.868 8.29 I93H-N 107.565 6.988 T94H-N 107.904 8.742 K95H-N 119.458 7.294 N96H-N 121.031 9.157 N96HD21-ND2 110.111 8.397 N96HD22-ND2 110.111 6.151 V97H-N 118.839 8.193 A98H-N 121.031 7.994 A99H-N 122.816 7.347 K100H-N 113.197 8.19 T101H-N 118.368 7.128 K102H-N 126.513 8.753 L103H-N 124.466 8.602 K105H-N 122.139 8.46 A106H-N 125.278 8.448 D107H-N 120.771 8.428 K108H-N 120.727 8.329 E109H-N 121.471 8.447 E110H-N 121.559 8.352 L111H-N 122.181 8.145 E112H-N 120.291 8.212 H116H-N 119.156 8.227 H118H-N 125.345 8.143