Assignment w1 w2 S4H-N 117.043 8.459 D5H-N 120.597 8.173 S6H-N 115.301 8.046 A7H-N 124.442 8.426 E8H-N 118.383 8.319 V9H-N 119.663 7.753 I10H-N 118.862 7.786 H11H-N 117.86 7.886 Q12H-N 117.668 7.988 Q12HE22-NE2 113.67 6.981 V13H-N 118.408 8.149 E14H-N 118.151 8.129 E15H-N 113.887 7.801 A16H-N 119.197 7.363 L17H-N 118.549 7.172 D18H-N 122.838 8.943 T19H-N 114.912 8.523 D20H-N 121.041 8.382 E21H-N 122.573 8.101 K22H-N 118.907 8.363 E23H-N 116.907 7.805 M24H-N 119.738 8.08 L26H-N 117.213 7.866 F27H-N 118.84 7.635 L28H-N 117.998 8.994 C29H-N 109.981 7.361 R30H-N 120.631 7.369 D31H-N 113.686 8.135 V32H-N 118.324 7.488 A33H-N 125.52 7.977 I34H-N 118.938 7.772 D35H-N 119.884 8.753 V36H-N 116.746 7.532 V37H-N 124.376 8.342 N40H-N 111.607 7.217 V41H-N 120.213 9.316 R42H-N 123.27 8.386 D43H-N 117.733 8.286 L44H-N 119.326 7.635 L45H-N 117.225 8.447 D46H-N 118.982 8.185 I47H-N 121.699 8.121 L48H-N 119.603 8.413 R49H-N 119.699 8.5 E50H-N 122.471 8.427 R51H-N 115.345 7.86 G52H-N 108.468 7.91 K53H-N 119.579 8.323 L54H-N 119.424 7.87 S55H-N 120.19 9.144 V56H-N 120.686 8.658 G57H-N 106.014 8.104 D58H-N 121.368 7.21 L59H-N 118.772 8.006 A60H-N 120.669 8.616 E61H-N 118.348 8.095 L62H-N 117.414 7.871 L63H-N 115.341 8.198 Y64H-N 119.859 8.607 R65H-N 118.694 8.693 V66H-N 107.802 7.26 R67H-N 114.852 7.447 R68H-N 118.791 7.795 F69H-N 122.139 7.493 D70H-N 120.093 9.56 L71H-N 121.281 7.533 L72H-N 120.572 7.792 K73H-N 117.356 7.354 R74H-N 117.633 8.291 I75H-N 114.409 8.541 L76H-N 114.367 6.517 K77H-N 115.473 7.322 M78H-N 117.372 7.754 D79H-N 118.349 7.641 R80H-N 119.449 8.583 K81H-N 118.385 8.149 A82H-N 122.393 8.038 V83H-N 118.843 7.739 E84H-N 121.048 8.426 T85H-N 116.507 8.301 H86H-N 122.415 7.594 L87H-N 116.57 8.344 L88H-N 120.125 7.701 R89H-N 114.984 7.282 N90H-N 117.842 7.601 N90HD21-ND2 111.528 6.825 N90HD22-ND2 111.528 7.424 H92H-N 120.172 8.697 L93H-N 106.268 11.546 V94H-N 118.69 8.711 S95H-N 124.279 8.827 D96H-N 120.974 9.174 Y97H-N 122.46 8.429 R98H-N 119.56 7.612 V99H-N 118.54 7.867 L100H-N 120.58 7.991 M101H-N 114.953 7.88 A102H-N 120.704 8.018 E103H-N 119.665 8.467 I104H-N 120.286 8.466 G105H-N 104.239 8.04 E106H-N 118.829 7.602 D107H-N 118.254 7.428 L108H-N 121.47 7.157 D109H-N 123.898 8.845 K110H-N 120.271 8.553 S111H-N 115.447 8.414 D112H-N 124.003 8.038 V113H-N 119.687 8.175 S114H-N 114.233 8.091 S115H-N 118.825 8.225 L116H-N 124.26 8.581 I117H-N 119.669 8.63 G118H-N 105.35 7.927 L119H-N 120.115 7.703 M120H-N 116.474 8.207 K121H-N 120.591 7.853 D122H-N 118.107 7.998 Y123H-N 116.798 7.726 M124H-N 115.752 7.589 G125H-N 108.063 8.046 R126H-N 120.928 8.444 G127H-N 109.511 8.474 K128H-N 120.066 8.019 I129H-N 120.75 8.022 S130H-N 120.269 8.291 K131H-N 121.684 8.316 E132H-N 119.709 8.387 K133H-N 121.087 7.705 S134H-N 115.868 8.688 F135H-N 120.578 9.235 L136H-N 115.066 7.747 D137H-N 118.286 7.487 L138H-N 121.267 7.748 V139H-N 119.012 8.181 V140H-N 118.498 7.839 E141H-N 119.493 7.677 L142H-N 118.391 8.641 E143H-N 122.494 9.067 K144H-N 122.302 8.131 L145H-N 116.878 7.353 N146H-N 115.017 8.178 N146HD21-ND2 111.838 6.783 N146HD22-ND2 111.838 7.461 L147H-N 114.853 8.433 V148H-N 116.52 7.077 A149H-N 126.118 7.942 D151H-N 110.412 7.827 Q152H-N 122.446 7.971 L153H-N 124.931 9.3 D154H-N 120.642 8.321 L155H-N 121.627 8.623 L156H-N 119.135 7.547 E157H-N 118.227 8.437 K158H-N 118.168 7.948 C159H-N 116.523 8.12 L160H-N 118.325 8.294 K161H-N 119.407 7.892 N162H-N 118.917 8.079 N162HD21-ND2 109.918 6.695 N162HD22-ND2 109.918 7.332 I163H-N 111.738 7.305 H164H-N 114.351 7.762 R165H-N 119.413 8.181 I166H-N 122.636 8.08 D167H-N 121.015 9.232 L168H-N 121.074 7.458 K169H-N 121.709 7.843 T170H-N 115.926 8.546 K171H-N 121.025 7.319 I172H-N 119.801 7.497 Q173H-N 120.266 8.304 Q173HE22-NE2 113.751 7.965 K174H-N 118.64 8.35 Y175H-N 121.474 7.622 K176H-N 119.61 8.435 Q177H-N 116.377 7.595 L178H-N 120.412 7.379 E179H-N 119.628 8.023 H180H-N 118.418 8.114 H181H-N 125.598 8.026