Assignment w1 w2 H7H-N 124.592 8.31 H8H-N 117.222 8.266 M9H-N 122.657 8.458 S10H-N 117.375 8.405 G11H-N 109.923 8.438 T12H-N 112.833 8.496 V13H-N 117.852 8.792 T14H-N 121.979 8.795 V15H-N 123.875 8.753 T16H-N 111.724 7.574 D17H-N 121.601 9.112 S18H-N 112.15 8.379 T19H-N 111.028 7.602 F20H-N 125.858 7.81 K21H-N 118.908 8.915 T22H-N 111.038 7.77 D23H-N 117.672 8.619 V24H-N 115.488 7.632 L25H-N 117.924 7.266 D26H-N 115.744 8.126 S27H-N 111.414 6.507 D28H-N 129.272 8.973 T29H-N 115.07 7.755 V31H-N 120.535 8.708 L32H-N 130.576 9.368 V33H-N 127.206 9.56 D34H-N 125.72 9.252 F35H-N 129.001 9.521 W36H-N 122.227 8.794 W36HE1-NE1 99.402 11.267 A37H-N 117.268 7.108 D38H-N 121.467 9.207 W39H-N 111.781 6.824 W39HE1-NE1 130.376 10.597 C40H-N 122.214 6.669 G41H-N 120.006 9.49 C43H-N 113.659 7.877 K44H-N 120.079 8.027 M45H-N 116.619 7.443 V46H-N 113.665 7.237 A47H-N 124.108 7.234 V49H-N 118.747 6.724 L50H-N 118.469 7.833 E51H-N 116.953 7.379 E52H-N 118.413 7.475 I53H-N 118.934 8.257 A54H-N 120.687 8.462 N55H-N 114.563 7.664 N55HD21-ND2 113.174 7.029 N55HD22-ND2 113.174 7.665 E56H-N 120.289 8.555 K57H-N 114.755 8.219 S58H-N 115.801 7.06 G59H-N 115.526 9.207 T60H-N 111.915 8.115 L61H-N 121.034 7.71 K62H-N 128.036 8.574 V63H-N 127.011 9.28 A64H-N 129.528 9.336 K65H-N 119.196 8.872 L66H-N 125.596 8.989 D67H-N 126.84 8.715 V68H-N 124.404 9.12 D69H-N 120.723 7.976 A70H-N 119.223 6.741 N71H-N 116.263 7.254 N71HD21-ND2 120.822 8.292 N71HD22-ND2 120.822 7.255 E73H-N 123.774 9.869 A74H-N 124.478 9.917 A75H-N 115.081 6.876 R76H-N 118.266 7.73 R76HE-NE 120.646 7.15 D77H-N 122.357 9.027 F78H-N 113.348 7.344 Q79H-N 116.833 7.784 Q79HE21-NE2 112.392 6.657 Q79HE22-NE2 112.392 7.488 V80H-N 120.679 8.554 V81H-N 123.569 8.163 S82H-N 117.279 7.943 I83H-N 120.723 8.484 T85H-N 119.484 8.257 M86H-N 126.483 9.891 I87H-N 121.429 9.127 L88H-N 129.534 8.732 F89H-N 128.101 9.999 K90H-N 119.693 8.572 G91H-N 118.014 9.401 G92H-N 105.971 9.195 T93H-N 115.824 7.804 V95H-N 120.415 9.163 K96H-N 118.75 7.236 R97H-N 125.896 8.813 R97HE-NE 119.88 7.407 I98H-N 127.696 9.563 V99H-N 128.048 8.952 G100H-N 114.199 8.079 A101H-N 119.826 8.383 K102H-N 119.777 6.941 G103H-N 105.901 8.298 K104H-N 119.027 8.647 A105H-N 118.592 8.471 A106H-N 120.642 7.945 L107H-N 119.756 8.428 L108H-N 117.475 8.602 R109H-N 118.019 7.704 R109HE-NE 121.214 7.372 E110H-N 116.462 7.566 I111H-N 114.449 7.878 E112H-N 118.508 8.52 D113H-N 116.687 7.983 A114H-N 120.444 7.54 L115H-N 124.208 7.141