Assignment w1 w2 E2H-N 122.056 8.55 E3H-N 119.86 8.256 E4H-N 120.46 8.315 D5H-N 119.5 8.374 K6H-N 119.56 8.0 C7H-N 117.68 8.03 K8H-N 125.17 8.403 M10H-N 121.564 8.595 S11H-N 119.105 9.185 Y12H-N 121.095 9.09 E13H-N 118.525 8.95 E14H-N 120.004 7.846 K15H-N 120.387 8.201 R16H-N 119.94 8.162 Q17H-N 118.455 8.055 Q17HE21-NE2 116.085 7.899 Q17HE22-NE2 116.085 6.795 L18H-N 119.49 7.927 S19H-N 112.041 7.798 L20H-N 120.71 7.689 D21H-N 120.974 8.564 I22H-N 120.066 8.636 N23H-N 115.121 7.43 N23HD21-ND2 111.27 7.554 N23HD22-ND2 111.27 6.935 K24H-N 117.427 7.597 L25H-N 120.343 7.557 G27H-N 109.512 8.98 E28H-N 119.365 9.462 K29H-N 116.47 7.856 L30H-N 121.73 7.963 G31H-N 127.73 8.32 R32H-N 120.201 7.534 V33H-N 119.293 7.51 V34H-N 116.601 7.633 H35H-N 118.591 7.741 I36H-N 121.476 8.464 I37H-N 117.5 7.691 Q38H-N 115.54 8.73 Q38HE21-NE2 110.757 7.261 Q38HE22-NE2 110.757 6.55 S39H-N 110.686 7.96 R40H-N 118.325 7.472 E41H-N 118.279 7.78 S43H-N 112.04 8.374 L44H-N 121.6 7.968 K45H-N 121.4 7.77 N46H-N 116.1 8.38 N46HD21-ND2 112.55 7.602 N46HD22-ND2 112.55 6.946 S47H-N 115.766 7.82 N48H-N 122.062 8.65 N48HD21-ND2 112.81 7.725 N48HD22-ND2 112.81 7.102 D50H-N 114.757 8.133 E51H-N 117.63 7.739 I52H-N 120.325 7.62 E53H-N 126.747 8.336 I54H-N 124.64 8.558 D55H-N 126.383 8.581 F56H-N 123.136 8.75 E57H-N 114.21 8.465 T58H-N 128.229 7.513 L59H-N 120.455 6.77 K60H-N 123.266 10.07 S62H-N 109.601 8.582 T63H-N 122.115 7.424 L64H-N 120.389 7.943 R65H-N 115.381 8.37 E66H-N 122.254 7.891 L67H-N 119.547 8.501 E68H-N 119.94 8.647 R69H-N 119.747 8.13 Y70H-N 120.122 8.174 V71H-N 120.387 9.263 T72H-N 114.798 8.414 S73H-N 116.088 7.617 C74H-N 118.07 7.634 L75H-N 118.004 7.774 R76H-N 118.72 7.838 K77H-N 120.468 7.976 K78H-N 121.85 8.207 R79H-N 122.45 8.38 K80H-N 123.98 8.424 Q82H-N 120.628 8.449 A83H-N 108.96 8.0 L2H-N 122.49 8.3 Q3H-N 125.534 8.584 S4H-N 121.896 8.377 S5H-N 123.252 8.42 I6H-N 122.209 8.126 V7H-N 125.02 8.224 K8H-N 125.698 8.391 F9H-N 126.78 8.279 K11H-N 121.078 8.382 L13H-N 123.508 8.416 L15H-N 121.778 8.486 T16H-N 114.398 8.128 Q17H-N 123.208 8.517 G19H-N 110.528 8.647