Assignment w1 w2 K2H-N 121.783 8.379 I3H-N 123.154 8.266 S4H-N 121.064 8.436 R5H-N 124.313 8.455 R5HE-NE 85.698 7.092 G7H-N 109.761 8.559 D8H-N 120.659 8.115 S9H-N 115.58 8.289 D10H-N 122.468 8.389 D11H-N 121.568 8.356 S12H-N 116.455 8.341 R13H-N 121.516 8.197 R13HE-NE 85.147 7.358 S14H-N 115.985 8.107 V15H-N 116.463 7.277 N16H-N 118.467 6.692 N16HD21-ND2 115.537 7.584 N16HD22-ND2 115.537 7.171 S17H-N 113.427 8.286 V18H-N 120.033 6.98 L19H-N 124.968 9.115 L20H-N 123.06 9.43 F21H-N 127.649 10.324 T22H-N 121.653 9.365 I23H-N 126.504 8.069 L24H-N 129.421 9.599 N25H-N 116.213 9.314 N25HD21-ND2 111.71 7.823 N25HD22-ND2 111.71 6.883 I27H-N 120.769 8.093 Y28H-N 117.236 6.623 S29H-N 113.124 8.18 I30H-N 125.908 8.628 T31H-N 113.401 6.44 T32H-N 113.363 8.883 D33H-N 117.316 7.8 V34H-N 121.078 7.284 L35H-N 116.237 7.466 Y36H-N 123.122 9.116 T37H-N 112.696 7.808 I38H-N 113.801 7.066 C39H-N 117.072 7.926 N40H-N 120.412 8.415 N40HD21-ND2 114.027 7.096 N40HD22-ND2 114.027 6.474 C42H-N 113.781 7.849 G43H-N 108.397 7.612 V45H-N 128.178 8.17 Q46H-N 122.53 9.463 Q46HE21-NE2 112.232 7.197 Q46HE22-NE2 112.232 6.814 R47H-N 116.922 7.587 R47HE-NE 84.589 7.276 I48H-N 119.465 9.072 V49H-N 123.147 8.942 I50H-N 127.851 9.26 F51H-N 123.775 8.998 R52H-N 122.532 8.819 R52HH11-NH1 71.533 7.071 R52HH12-NH1 71.533 7.071 R52HE-NE 85.245 7.511 K53H-N 121.55 7.583 N54H-N 116.894 8.96 N54HD21-ND2 114.687 7.877 N54HD22-ND2 114.687 7.283 G55H-N 109.415 7.556 V56H-N 124.414 9.261 Q57H-N 123.721 8.005 Q57HE21-NE2 112.306 7.148 Q57HE22-NE2 112.306 7.089 A58H-N 118.72 9.264 M59H-N 119.984 9.639 V60H-N 121.842 8.782 E61H-N 128.93 9.069 F62H-N 127.018 9.094 D63H-N 118.832 8.85 S64H-N 111.005 7.783 V65H-N 119.961 8.911 Q66H-N 119.529 8.324 Q66HE21-NE2 112.054 7.564 Q66HE22-NE2 112.054 6.9 S67H-N 117.614 7.956 A68H-N 123.539 7.386 Q69H-N 117.015 8.891 Q69HE21-NE2 110.387 6.984 Q69HE22-NE2 110.387 6.873 R70H-N 120.594 7.717 R70HE-NE 85.371 7.37 A71H-N 123.238 8.003 K72H-N 118.522 8.524 A73H-N 117.907 7.808 S74H-N 111.233 7.949 L75H-N 117.464 8.186 N76H-N 117.299 7.369 N76HD21-ND2 112.553 7.605 N76HD22-ND2 112.553 6.928 G77H-N 116.117 8.856 A78H-N 123.886 8.078 D79H-N 119.699 8.158 I80H-N 122.52 8.684 Y81H-N 114.184 7.005 S82H-N 113.713 8.382 G83H-N 115.406 9.145 C84H-N 114.851 8.44 C85H-N 110.308 8.197 T86H-N 118.802 8.024 L87H-N 125.383 9.085 K88H-N 126.477 8.677 I89H-N 125.97 8.372 E90H-N 125.621 8.886 Y91H-N 120.965 8.927 A92H-N 126.368 8.844 K93H-N 121.936 9.917 T95H-N 109.742 8.396 R96H-N 119.096 7.304 R96HE-NE 85.759 8.385 L97H-N 124.726 8.737 N98H-N 123.361 10.335 N98HD21-ND2 116.928 8.456 N98HD22-ND2 116.928 6.931 V99H-N 123.211 7.872 F100H-N 124.981 9.068 K101H-N 118.456 7.373 N102H-N 122.409 7.799 N102HD21-ND2 106.412 6.097 N102HD22-ND2 106.412 5.548 D103H-N 129.301 10.337 Q104H-N 113.98 8.29 Q104HE21-NE2 112.481 7.644 Q104HE22-NE2 112.481 6.886 D105H-N 119.322 8.837 T106H-N 110.464 8.488 W107H-N 122.424 9.365 W107HE1-NE1 129.697 9.471 D108H-N 127.623 8.468 Y109H-N 124.872 8.921 T110H-N 112.222 9.324 N111H-N 118.923 7.256 N111HD21-ND2 111.478 7.635 N111HD22-ND2 111.478 6.938 N113H-N 116.723 8.128 N113HD21-ND2 113.251 7.606 N113HD22-ND2 113.251 6.978 L114H-N 120.632 7.375 S115H-N 115.98 8.115 G116H-N 110.318 8.298 Q117H-N 119.816 8.221 Q117HE21-NE2 112.322 7.549 Q117HE22-NE2 112.322 6.846 G118H-N 116.493 8.085