Assignment w1 w2 A4H-N 126.01 8.238 L5H-N 121.48 8.014 S6H-N 116.89 8.066 L7H-N 124.027 8.377 S8H-N 118.877 8.641 L9H-N 121.816 7.913 L10H-N 126.683 8.21 S11H-N 119.453 9.371 I12H-N 127.091 9.097 S13H-N 119.75 8.576 R14H-N 129.089 9.036 S15H-N 118.677 8.455 T18H-N 114.387 8.005 V19H-N 127.241 8.824 T20H-N 124.213 9.008 L21H-N 128.422 8.743 I22H-N 122.046 8.705 G23H-N 113.36 7.603 D24H-N 117.475 7.619 F25H-N 119.553 8.796 D27H-N 109.82 6.936 E28H-N 117.759 8.645 A29H-N 125.357 8.273 A30H-N 123.545 8.564 K31H-N 117.868 6.972 A32H-N 122.237 8.284 A33H-N 120.355 7.78 L34H-N 119.307 7.143 M35H-N 115.231 7.839 T36H-N 116.053 8.308 A37H-N 126.139 7.921 L38H-N 114.262 7.62 N39H-N 117.523 7.395 G40H-N 106.36 9.016 L41H-N 117.32 7.939 L42H-N 120.0 7.334 A43H-N 124.559 7.029 G45H-N 116.372 7.455 V46H-N 121.694 7.75 N47H-N 126.191 8.775 N47HD21-ND2 112.5 7.238 N47HD22-ND2 112.5 6.789 V48H-N 123.541 8.431 I49H-N 131.235 9.18 D50H-N 126.849 8.524 Q51H-N 127.186 8.752 Q51HE21-NE2 108.891 6.8 Q51HE22-NE2 108.891 6.621 I52H-N 121.388 8.231 H53H-N 129.16 8.841 V54H-N 122.944 8.09 D55H-N 127.65 8.614 V57H-N 113.087 7.597 V58H-N 116.471 7.389 R59H-N 120.245 8.114 S60H-N 117.526 8.365 L61H-N 125.231 8.394 D62H-N 122.836 7.998 F63H-N 125.955 8.965 S64H-N 118.595 8.973 S65H-N 117.281 8.951 A66H-N 118.807 7.221 E67H-N 123.856 8.786 V69H-N 115.872 7.451 F70H-N 115.862 6.806 T71H-N 120.805 9.197 A72H-N 122.527 7.486 S73H-N 111.5 7.188 V74H-N 123.338 6.943 I76H-N 120.524 8.194 D78H-N 119.601 8.976 F79H-N 119.389 6.981 G80H-N 114.44 7.873 L81H-N 121.361 8.324 K82H-N 126.874 8.781 V83H-N 127.385 9.356 E84H-N 123.004 8.183 R85H-N 122.92 8.923 D86H-N 120.439 8.324 T87H-N 115.109 8.041 V88H-N 127.929 9.078 T89H-N 124.266 9.461 L90H-N 128.603 8.907 T91H-N 113.541 9.055 G92H-N 107.4 8.355 T93H-N 121.879 10.904 A94H-N 128.698 9.431 S96H-N 107.408 7.207 H99H-N 117.997 7.525 K100H-N 119.287 7.143 D101H-N 118.44 8.222 A102H-N 121.965 8.185 V103H-N 116.364 7.335 K104H-N 120.314 7.06 R105H-N 120.41 8.713 A106H-N 120.878 7.648 A107H-N 122.737 8.549 T108H-N 112.967 8.482 S109H-N 113.677 7.455 T110H-N 118.237 7.282 W111H-N 118.707 7.615 W111HE1-NE1 129.365 9.795 D113H-N 115.03 8.53 M114H-N 117.316 7.337 K115H-N 122.284 8.346 I116H-N 125.033 8.489 V117H-N 131.801 9.438 N119H-N 125.006 8.847 N119HD21-ND2 108.915 6.912 N119HD22-ND2 108.915 6.62 I120H-N 123.029 7.391 E121H-N 128.486 9.082 V122H-N 121.638 8.572 T123H-N 121.841 8.291 G124H-N 112.369 8.331 Q125H-N 120.133 8.088 Q125HE21-NE2 112.036 7.478 Q125HE22-NE2 112.036 6.792 A126H-N 127.138 8.271 G129H-N 108.77 8.064