Assignment w1 w2 R8H-N 120.588 8.183 S9H-N 116.607 8.334 A10H-N 125.992 8.325 H11H-N 117.546 8.167 L12H-N 122.209 7.858 R13H-N 121.507 8.225 V14H-N 121.552 8.003 R15H-N 126.811 8.45 Q16H-N 122.885 9.416 Q16HE21-NE2 112.012 7.622 Q16HE22-NE2 112.012 7.085 L17H-N 118.813 7.993 H19H-N 118.29 8.118 A20H-N 122.682 8.467 E22H-N 121.399 7.838 H23H-N 116.105 8.928 V25H-N 124.613 9.205 A26H-N 129.788 8.599 T27H-N 114.437 9.043 L28H-N 125.19 9.008 S29H-N 117.606 8.125 T30H-N 117.006 8.85 V31H-N 117.292 7.927 E32H-N 121.071 7.717 R33H-N 122.495 8.539 R34H-N 116.751 9.015 A35H-N 117.423 7.726 I36H-N 120.749 8.667 N37H-N 125.166 9.323 N37HD21-ND2 111.766 7.483 N37HD22-ND2 111.766 6.686 L38H-N 126.475 9.086 T39H-N 114.025 8.795 W40H-N 117.042 7.768 W40HE1-NE1 125.041 7.931 T41H-N 114.342 8.91 K42H-N 129.874 8.843 F44H-N 118.706 8.522 D45H-N 126.975 7.524 N47H-N 108.899 7.927 N47HD21-ND2 115.309 7.527 N47HD22-ND2 115.309 7.319 S48H-N 113.948 6.803 L50H-N 118.813 8.736 I51H-N 119.331 9.367 R52H-N 110.468 7.374 R52HE-NE 83.456 7.132 Y53H-N 113.541 8.391 I54H-N 118.766 8.446 L55H-N 127.221 8.922 E56H-N 127.231 9.419 M57H-N 118.328 9.404 S58H-N 119.137 8.148 E59H-N 133.001 8.429 N60H-N 129.213 9.663 N60HD21-ND2 110.073 7.53 N60HD22-ND2 110.073 6.853 N61H-N 109.142 8.481 N61HD21-ND2 112.217 7.307 N61HD22-ND2 112.217 6.592 A62H-N 122.663 7.363 W64H-N 123.356 7.29 W64HE1-NE1 129.025 9.905 T65H-N 117.018 9.095 V66H-N 125.23 8.73 L67H-N 131.736 9.26 L68H-N 116.379 7.571 A69H-N 125.191 8.697 S70H-N 110.233 8.008 V71H-N 127.453 8.692 D72H-N 128.086 8.52 K74H-N 122.884 9.153 A75H-N 123.907 8.182 T76H-N 109.337 8.368 S77H-N 113.14 6.649 V78H-N 117.612 8.631 T79H-N 122.654 8.487 V80H-N 128.067 9.28 K81H-N 124.734 8.442 G82H-N 106.948 8.626 L83H-N 119.817 7.823 V84H-N 120.412 8.026 A86H-N 118.753 7.798 R87H-N 117.935 7.675 S88H-N 114.033 8.037 Y89H-N 120.197 8.861 Q90H-N 119.236 8.017 Q90HE21-NE2 112.882 8.131 Q90HE22-NE2 112.882 7.058 F91H-N 117.63 8.67 R92H-N 114.101 8.532 R92HE-NE 84.147 5.172 L93H-N 119.584 8.602 C94H-N 118.366 8.832 A95H-N 124.463 9.662 V96H-N 118.04 7.985 N97H-N 127.646 8.697 N97HD21-ND2 113.996 7.852 N97HD22-ND2 113.996 7.567 D98H-N 116.254 8.785 V99H-N 120.155 7.729 G100H-N 107.065 7.653 K101H-N 120.155 8.084 G102H-N 112.094 8.72 Q103H-N 114.932 8.084 Q103HE21-NE2 113.233 7.616 Q103HE22-NE2 113.233 6.873 F104H-N 118.836 8.496 S105H-N 113.83 9.067 K106H-N 117.68 8.319 D107H-N 120.667 8.397 T108H-N 112.291 9.116 E109H-N 120.105 8.455 R110H-N 124.841 8.92 V111H-N 123.215 8.388 S112H-N 120.826 8.627 L113H-N 127.414 8.699 E115H-N 120.024 8.66 S116H-N 116.676 8.468 G117H-N 110.716 8.346 S119H-N 116.079 8.539 S120H-N 117.597 8.283 G121H-N 116.773 8.05