Assignment w1 w2 M11H-N 121.211 8.179 I12H-N 122.511 8.088 K13H-N 126.072 8.381 R14H-N 123.714 8.484 T15H-N 115.338 8.279 N16H-N 120.727 8.612 N16HD21-ND2 112.623 7.603 N16HD22-ND2 112.623 6.899 E17H-N 123.79 8.113 L19H-N 123.76 8.72 D20H-N 115.65 8.829 K21H-N 121.462 7.352 K22H-N 123.296 8.407 R23H-N 116.95 8.594 R23HE-NE 82.608 6.969 A24H-N 118.391 7.505 R25H-N 120.413 8.291 R25HE-NE 81.761 9.174 L26H-N 119.205 8.305 I27H-N 123.643 8.488 Y28H-N 121.443 7.832 Q29H-N 115.999 8.965 Q29HE21-NE2 110.676 7.284 Q29HE22-NE2 110.676 7.11 S30H-N 115.599 7.643 R31H-N 114.0 6.987 R31HE-NE 84.998 7.269 K32H-N 120.507 7.245 R33H-N 119.63 8.831 R33HE-NE 83.032 8.578 G34H-N 107.776 8.652 L36H-N 128.2 8.518 E37H-N 118.515 9.964 T38H-N 111.283 6.425 D39H-N 124.325 7.997 L40H-N 118.757 8.623 L41H-N 119.923 7.382 L42H-N 115.623 8.963 S43H-N 115.349 8.535 G44H-N 110.034 7.812 F45H-N 125.487 8.542 A46H-N 121.034 9.262 A47H-N 117.642 7.481 K48H-N 115.388 7.056 Y49H-N 112.714 7.941 L50H-N 120.89 7.945 K51H-N 115.335 8.463 K52H-N 115.175 7.232 M53H-N 120.127 7.175 N54H-N 120.819 9.045 N54HD21-ND2 110.427 7.385 N54HD22-ND2 110.427 6.914 E55H-N 116.971 8.891 E56H-N 119.652 8.366 E57H-N 122.119 8.491 L58H-N 119.424 8.693 E59H-N 118.813 8.009 E60H-N 121.472 7.867 Y61H-N 121.955 8.675 D62H-N 118.314 8.481 S63H-N 111.38 7.779 L64H-N 127.444 8.616 L65H-N 114.503 7.7 N66H-N 116.208 7.533 N66HD21-ND2 113.962 7.626 N66HD22-ND2 113.962 6.997 E67H-N 120.3 7.948 L68H-N 120.037 9.451 D69H-N 120.774 8.445 W70H-N 117.865 8.809 W70HE1-NE1 127.588 9.98 D71H-N 116.993 6.134 I72H-N 115.361 7.302 Y73H-N 116.121 7.327 Y74H-N 121.029 8.922 W75H-N 121.118 9.201 W75HE1-NE1 127.755 9.277 A76H-N 122.129 8.761 T77H-N 102.584 7.411 K78H-N 116.069 7.42 N79H-N 120.318 8.828 N79HD21-ND2 110.893 7.384 N79HD22-ND2 110.893 6.737 F80H-N 120.545 7.581 K81H-N 118.568 7.999 T82H-N 111.828 7.419 S83H-N 115.546 7.312 L85H-N 125.147 8.171 D87H-N 123.224 8.649 K88H-N 115.96 8.344 W89H-N 116.821 7.145 W89HE1-NE1 127.82 10.665 A90H-N 122.68 7.456 N91H-N 114.054 8.318 N91HD21-ND2 113.995 7.546 N91HD22-ND2 113.995 6.895 S92H-N 113.359 7.255 K93H-N 133.672 9.608 L94H-N 122.086 8.0 L95H-N 118.72 7.997 K96H-N 117.88 7.341 Q97H-N 119.66 8.007 Q97HE21-NE2 109.121 6.742 Q97HE22-NE2 109.121 6.685 L98H-N 122.983 8.425 Q99H-N 119.099 8.594 Q99HE21-NE2 107.015 7.482 Q99HE22-NE2 107.015 7.291 E100H-N 120.803 8.353 F101H-N 120.752 8.544 S102H-N 112.889 8.314 E103H-N 118.066 7.809 N104H-N 117.241 7.917 N104HD21-ND2 112.799 7.652 N104HD22-ND2 112.799 7.021 K105H-N 121.903 8.093 E106H-N 119.595 8.2 K107H-N 120.538 7.838 E108H-N 122.869 8.313 I109H-N 125.937 7.705