Assignment w1 w2 A2H-N 121.296 8.235 Q3H-N 118.667 7.53 Q3HE21-NE2 112.006 6.756 Q3HE22-NE2 112.006 7.454 A4H-N 125.542 8.3 L6H-N 124.72 8.013 I8H-N 123.839 7.64 W9H-N 114.334 6.068 T10H-N 121.448 7.42 Y11H-N 118.257 7.4 Q13H-N 117.693 8.694 X14H-N 127.553 8.233 T15H-N 116.906 8.215 V16H-N 120.252 9.049 S17H-N 116.291 8.424 A18H-N 122.669 9.151 L20H-N 121.427 7.174 F21H-N 121.127 9.052 A22H-N 117.555 8.117 A23H-N 122.395 7.694 L24H-N 120.949 8.522 V25H-N 120.204 8.287 A26H-N 122.296 7.993 A27H-N 117.367 7.516 Y28H-N 113.295 8.37 G29H-N 110.869 8.191 I30H-N 120.286 8.623 Y31H-N 125.392 8.317 A32H-N 123.596 8.569 V33H-N 116.553 7.588 T34H-N 113.134 8.086 R35H-N 126.186 8.489 G37H-N 109.547 8.064 K39H-N 126.612 8.787 K40H-N 121.946 8.072 T43H-N 116.591 8.185 R44H-N 124.424 8.468 N45H-N 121.417 8.478 N45HD21-ND2 112.222 7.593 N45HD22-ND2 112.222 6.979 D46H-N 123.69 8.277 S47H-N 112.684 7.841 Q49H-N 117.463 8.294 C50H-N 114.703 7.66 A51H-N 118.341 8.399 N52H-N 117.248 8.572 N52HD21-ND2 112.543 7.454 N52HD22-ND2 112.543 6.842 N53H-N 110.152 8.056 N53HD21-ND2 112.065 6.743 N53HD22-ND2 112.065 7.402 R54H-N 115.633 7.468 G55H-N 106.372 8.039 W56H-N 122.612 8.852 C57H-N 125.496 8.222 R58H-N 121.621 9.335 S60H-N 107.165 6.827 C61H-N 121.399 8.71 F62H-N 120.982 8.609 G63H-N 107.202 8.942 H64H-N 114.804 8.076 Y66H-N 118.079 9.27 I67H-N 119.674 8.213 D68H-N 127.262 8.765 W69H-N 128.675 8.539 Y71H-N 113.747 7.377 T72H-N 117.247 7.442 V74H-N 113.142 7.385 C75H-N 122.134 8.256 G76H-N 111.16 8.013 S77H-N 124.835 8.695 C81H-N 130.043 8.602 R82H-N 124.742 8.887 R84H-N 122.084 8.739 N85H-N 120.013 8.701 N85HD21-ND2 112.733 6.948 N85HD22-ND2 112.733 7.629 X86H-N 124.433 8.406