Assignment w1 w2 S3H-N 116.98 8.547 R4H-N 123.819 8.352 A6H-N 125.987 8.397 T11H-N 113.78 8.211 S12H-N 117.684 8.321 G13H-N 110.819 8.47 Q14H-N 119.868 8.214 Q14HE21-NE2 112.391 7.533 Q14HE22-NE2 112.391 6.858 A15H-N 125.554 8.431 S16H-N 115.248 8.329 G17H-N 110.987 8.421 A18H-N 123.61 8.122 S19H-N 115.274 8.272 R20H-N 123.821 8.264 L22H-N 123.029 8.457 I25H-N 117.658 8.762 A26H-N 122.685 7.078 Q27H-N 117.595 8.094 Q27HE21-NE2 116.228 7.922 Q27HE22-NE2 116.228 6.868 A28H-N 119.586 8.226 L29H-N 122.475 8.081 K30H-N 120.106 8.37 D31H-N 120.211 8.699 H32H-N 123.651 8.363 L33H-N 120.192 8.503 A34H-N 122.085 8.247 A35H-N 120.743 7.921 Y36H-N 121.313 7.84 E37H-N 120.015 8.476 L38H-N 119.938 7.949 S39H-N 115.538 7.848 K40H-N 121.606 7.501 A41H-N 122.479 7.741 S42H-N 113.83 7.957 E43H-N 122.052 8.169 T44H-N 114.928 8.113 V45H-N 122.127 8.031 N46H-N 121.841 8.332 N46HD21-ND2 112.91 7.528 N46HD22-ND2 112.91 6.871 F47H-N 121.074 8.111 K48H-N 127.616 7.757 N3H-N 120.558 8.544 N3HD21-ND2 112.913 6.88 N3HD22-ND2 112.913 7.529 F4H-N 119.635 8.263 Q5H-N 120.983 8.269 Q5HE21-NE2 112.191 6.824 Q5HE22-NE2 112.191 7.478 I7H-N 122.159 8.059 G8H-N 112.634 8.535 H9H-N 119.03 8.386 V10H-N 123.028 8.465 G11H-N 111.93 8.585 W12H-N 124.25 7.873 W12HE1-NE1 126.832 9.278 D13H-N 128.985 6.956 N15H-N 113.497 8.475 N15HD21-ND2 115.361 6.942 N15HD22-ND2 115.361 7.819 T16H-N 108.161 7.72 G17H-N 110.922 7.982 F18H-N 121.327 8.691 D19H-N 119.855 8.382 L20H-N 125.135 8.533 N21H-N 115.815 8.313 N21HD21-ND2 114.335 7.823 N21HD22-ND2 114.335 6.987 N22H-N 117.784 7.548 N22HD21-ND2 115.072 8.127 N22HD22-ND2 115.072 6.84 L23H-N 121.877 7.382 D24H-N 128.457 8.787 E26H-N 117.743 8.868 L27H-N 120.927 7.536 K28H-N 118.659 7.942 N29H-N 115.238 7.915 N29HD21-ND2 112.923 6.847 N29HD22-ND2 112.923 7.776 L30H-N 121.887 7.393 F31H-N 118.61 8.403 D32H-N 120.232 8.681 M33H-N 120.819 8.492 C34H-N 114.169 7.745 G35H-N 109.231 7.941 I36H-N 121.55 7.818 S37H-N 125.493 8.889 E38H-N 120.723 8.85 A39H-N 118.663 8.097 Q40H-N 117.177 7.585 Q40HE21-NE2 112.631 6.844 Q40HE22-NE2 112.631 7.97 L41H-N 114.871 7.395 K42H-N 115.389 7.578 D43H-N 121.28 7.287 R44H-N 129.921 9.142 R44HE-NE 84.639 7.258 E45H-N 117.967 8.43 T46H-N 117.016 9.072 S47H-N 116.52 8.767 V49H-N 119.409 7.188 I50H-N 119.989 7.731 Y51H-N 121.291 8.912 D52H-N 118.293 8.864 F53H-N 119.686 7.577 I54H-N 120.656 8.273 E55H-N 120.775 8.418 K56H-N 118.216 7.716 T57H-N 112.384 7.539 G58H-N 108.882 7.812 G59H-N 108.146 8.072 V60H-N 117.953 8.029 E61H-N 122.519 8.462 A62H-N 123.86 8.038 V63H-N 118.041 7.897 K64H-N 124.371 8.081 N65H-N 125.819 7.987 N65HD21-ND2 112.586 7.504 N65HD22-ND2 112.586 6.775