Assignment w1 w2 S2H-N 116.334 8.519 S3H-N 115.959 8.378 G4H-N 110.928 8.522 S5H-N 115.769 8.288 S6H-N 117.917 8.437 G7H-N 110.928 8.573 I8H-N 123.206 8.603 K9H-N 124.032 8.151 N10H-N 120.234 8.417 N10HD21-ND2 112.678 7.763 N10HD22-ND2 112.678 7.019 F11H-N 122.051 8.474 L12H-N 120.028 8.287 Y13H-N 120.083 8.269 A14H-N 123.16 8.411 W15H-N 122.449 8.695 W15HE1-NE1 129.868 9.998 C16H-N 116.077 8.585 G17H-N 109.522 8.409 K18H-N 121.93 7.431 R19H-N 117.085 7.124 R19HE-NE 86.147 6.821 K20H-N 113.923 7.713 M21H-N 116.397 7.822 T22H-N 115.225 8.486 A24H-N 126.358 8.798 Y25H-N 122.86 8.904 E26H-N 123.739 9.181 I27H-N 126.358 8.959 R28H-N 126.672 9.086 R28HE-NE 84.721 7.21 A29H-N 126.944 8.763 V30H-N 119.052 8.567 G31H-N 111.434 8.308 N32H-N 118.27 8.099 N32HD21-ND2 113.384 7.629 N32HD22-ND2 113.384 6.947 K33H-N 119.327 8.529 N34H-N 116.146 8.339 N34HD21-ND2 113.197 7.622 N34HD22-ND2 113.197 6.968 R35H-N 121.28 7.927 Q36H-N 123.269 8.234 Q36HE21-NE2 111.738 7.325 Q36HE22-NE2 111.738 6.732 K37H-N 121.28 8.173 F38H-N 119.717 8.818 M39H-N 121.28 9.133 C40H-N 124.325 9.488 E41H-N 129.453 8.824 V42H-N 123.352 9.214 R43H-N 124.769 8.14 R43HE-NE 85.498 7.257 V44H-N 122.559 9.366 E45H-N 128.702 8.511 G46H-N 111.434 8.533 F47H-N 118.1 8.22 N48H-N 123.644 9.224 N48HD21-ND2 112.491 6.965 N48HD22-ND2 112.491 7.666 Y49H-N 120.739 7.237 A50H-N 129.81 6.935 G51H-N 108.993 8.809 M52H-N 122.894 9.293 G53H-N 108.273 8.81 N54H-N 117.833 9.127 N54HD21-ND2 114.462 7.63 N54HD22-ND2 114.462 6.813 S55H-N 112.295 8.632 T56H-N 113.584 8.431 N57H-N 117.365 8.283 N57HD21-ND2 116.213 7.525 N57HD22-ND2 116.213 7.457 K58H-N 123.858 8.425 K59H-N 119.93 7.966 D60H-N 120.799 8.57 A61H-N 122.377 7.793 Q62H-N 115.435 7.559 Q62HE21-NE2 109.337 5.399 Q62HE22-NE2 109.337 6.826 S63H-N 116.286 8.227 N64H-N 120.668 8.745 N64HD21-ND2 109.094 6.926 N64HD22-ND2 109.094 7.186 A65H-N 125.716 8.009 A66H-N 120.155 8.463 R67H-N 118.021 8.634 R67HE-NE 83.234 7.473 D68H-N 119.243 7.994 F69H-N 120.364 8.565 V70H-N 119.629 8.945 N71H-N 118.453 8.621 N71HD21-ND2 110.809 6.758 N71HD22-ND2 110.809 7.757 Y72H-N 124.128 7.369 L73H-N 118.431 7.516 V74H-N 120.122 8.099 R75H-N 123.175 7.728 R75HE-NE 83.27 7.23 I76H-N 109.201 7.459 N77H-N 115.627 7.841 N77HD21-ND2 112.319 6.756 N77HD22-ND2 112.319 7.464 E78H-N 116.936 8.44 V79H-N 117.858 6.865 K80H-N 125.519 8.893 S81H-N 119.727 9.129 E82H-N 117.889 9.26 E83H-N 118.065 7.829 V84H-N 119.655 6.96 A86H-N 126.252 8.395 V87H-N 119.54 8.204 G88H-N 112.015 8.365 I89H-N 120.457 7.944 V90H-N 127.206 8.306