Assignment w1 w2 A2H-N 123.52 8.583 M3H-N 120.036 8.512 G4H-N 110.27 8.407 S5H-N 115.901 8.255 G6H-N 110.353 8.507 R7H-N 116.877 8.061 N8H-N 116.344 7.918 L9H-N 123.557 9.51 W10H-N 123.015 9.287 W10HE1-NE1 128.437 9.677 V11H-N 128.374 9.221 S12H-N 120.534 9.092 G13H-N 108.524 8.785 L14H-N 114.837 6.769 S15H-N 115.004 8.832 S16H-N 120.88 8.98 T17H-N 110.342 7.627 T18H-N 120.366 7.415 R19H-N 126.053 9.105 A20H-N 125.987 9.324 T21H-N 109.355 8.083 D22H-N 120.024 7.115 L23H-N 117.419 7.206 K24H-N 119.46 8.382 N25H-N 117.583 8.238 N25HD21-ND2 112.144 6.881 N25HD22-ND2 112.144 7.671 L26H-N 120.541 7.574 F27H-N 114.902 8.413 S28H-N 113.75 7.862 K29H-N 119.561 6.926 Y30H-N 113.702 7.272 G31H-N 104.966 7.147 K32H-N 120.513 8.237 V33H-N 128.51 8.699 V34H-N 128.279 8.927 G35H-N 107.184 7.523 A36H-N 122.097 8.237 K37H-N 119.636 8.677 V38H-N 121.373 8.587 V39H-N 127.749 9.125 T40H-N 118.192 8.266 N41H-N 121.813 8.545 N41HD21-ND2 111.983 6.869 N41HD22-ND2 111.983 7.586 A42H-N 124.961 8.441 R43H-N 116.692 8.218 S44H-N 114.918 7.479 G46H-N 110.304 8.557 A47H-N 123.499 7.801 R48H-N 119.765 8.222 C49H-N 120.125 8.297 Y50H-N 121.235 8.493 G51H-N 107.198 9.489 F52H-N 122.819 8.855 V53H-N 126.97 8.509 T54H-N 124.55 8.745 M55H-N 124.23 8.468 S56H-N 115.808 8.698 T57H-N 108.864 7.606 S58H-N 117.724 9.12 D59H-N 122.095 8.328 E60H-N 120.017 7.944 A61H-N 121.49 7.554 T62H-N 115.968 8.468 K63H-N 123.096 8.052 C64H-N 117.521 8.133 I65H-N 120.122 7.711 S66H-N 112.435 7.891 H67H-N 112.952 7.334 L68H-N 116.14 8.091 R70H-N 120.318 7.948 E72H-N 119.017 8.152 L73H-N 126.151 9.089 H74H-N 127.261 9.65 G75H-N 103.344 8.808 R76H-N 119.057 7.44 M77H-N 121.578 8.441 I78H-N 122.085 8.839 S79H-N 116.926 8.351 E81H-N 122.926 8.55 K82H-N 121.333 8.791 A83H-N 126.268 8.116 K84H-N 121.214 7.979 N85H-N 123.357 7.841 N85HD21-ND2 112.564 6.625 N85HD22-ND2 112.564 7.403