Assignment w1 w2 A2H-N 125.747 8.47 E3H-N 119.37 8.303 C4H-N 119.552 8.112 W5H-N 123.03 8.024 W5HE1-NE1 129.428 10.11 A6H-N 124.34 7.897 A7H-N 121.376 7.809 L8H-N 119.633 7.822 L9H-N 121.232 7.86 H10H-N 118.562 8.076 D11H-N 123.062 8.259 M13H-N 118.614 8.408 T14H-N 114.315 7.856 L15H-N 124.34 7.944 D16H-N 123.596 8.35 M17H-N 122.573 8.035 D18H-N 118.032 7.957 A19H-N 124.0 7.694 V20H-N 119.649 7.94 L21H-N 120.765 8.486 S22H-N 113.114 8.109 D23H-N 122.949 8.221 F24H-N 122.48 8.688 V25H-N 122.411 8.97 R26H-N 121.979 8.57 S27H-N 111.169 7.713 T28H-N 106.644 7.346 G29H-N 112.419 8.715 A30H-N 121.623 7.765 E31H-N 121.574 8.28 G33H-N 107.695 8.694 L34H-N 124.486 7.214 A35H-N 119.257 8.061 R36H-N 116.592 8.042 D37H-N 119.067 7.503 L38H-N 120.778 8.101 L39H-N 119.989 7.895 E40H-N 121.202 8.463 G41H-N 106.11 7.672 K42H-N 117.514 6.952 N43H-N 118.323 7.98 N43HD21-ND2 112.3 7.56 N43HD22-ND2 112.3 6.822 W44H-N 108.937 8.66 W44HE1-NE1 129.898 10.294 D45H-N 117.886 7.01 L46H-N 128.53 8.321 T47H-N 113.68 8.035 A48H-N 125.052 8.001 A49H-N 121.222 8.357 S51H-N 114.861 7.73 D52H-N 122.027 7.875 Y53H-N 121.437 8.444 E54H-N 117.866 8.075 Q55H-N 116.754 7.613 Q55HE21-NE2 112.417 7.404 Q55HE22-NE2 112.417 6.748 L56H-N 120.312 7.735 R57H-N 118.21 7.743 Q58H-N 118.646 7.756 Q58HE21-NE2 112.1 7.461 Q58HE22-NE2 112.1 6.75 V59H-N 119.326 8.803 H60H-N 121.691 8.251 T61H-N 114.974 7.983 A62H-N 125.618 8.19 N63H-N 117.045 8.219 L64H-N 123.289 7.944 H66H-N 118.986 8.318 V67H-N 121.365 7.88 F68H-N 124.098 8.36 N69H-N 121.457 8.346 E70H-N 121.06 8.29 G71H-N 109.442 8.334 R72H-N 120.309 8.046 G73H-N 115.974 8.019