Assignment w1 w2 L3H-N 123.822 8.28 K4H-N 121.146 8.154 S5H-N 114.294 7.904 A6H-N 124.683 7.983 C7H-N 123.278 8.653 V8H-N 121.878 8.603 V9H-N 125.414 9.367 C10H-N 117.561 8.284 L11H-N 121.056 7.898 S12H-N 114.318 8.385 S13H-N 118.084 7.595 F14H-N 120.323 8.224 K15H-N 120.189 8.389 S16H-N 113.299 8.738 C17H-N 115.98 7.495 V18H-N 122.795 9.173 F19H-N 124.792 8.222 L20H-N 121.283 8.692 E21H-N 117.607 7.991 C22H-N 121.632 9.06 G23H-N 111.596 8.841 H24H-N 120.557 8.666 V25H-N 123.167 8.567 C26H-N 117.985 9.345 S27H-N 119.48 8.186 C28H-N 125.11 9.728 E30H-N 124.044 8.503 C31H-N 124.175 9.268 Y32H-N 119.306 7.521 R33H-N 121.269 8.307 A34H-N 118.276 7.306 L35H-N 121.13 7.174 E37H-N 118.374 8.249 K39H-N 123.699 8.353 K40H-N 124.005 8.707 C41H-N 124.766 8.602 I43H-N 118.953 9.161 C44H-N 117.617 8.114 R45H-N 118.167 8.485 Q46H-N 119.339 8.207 Q46HE21-NE2 113.036 7.705 Q46HE22-NE2 113.036 7.008 A47H-N 123.938 8.613 I48H-N 124.887 7.999 T49H-N 122.46 9.405 R50H-N 120.582 7.693 V51H-N 120.128 8.342 I52H-N 125.657 8.548 L54H-N 120.261 7.739 Y55H-N 118.826 8.165 N56H-N 120.62 8.528 N56HD21-ND2 112.269 7.547 N56HD22-ND2 112.269 6.812 S57H-N 121.317 7.905