Assignment w1 w2 Q4H-N 122.69 8.442 Q4HE21-NE2 112.45 7.532 Q4HE22-NE2 112.45 6.916 N6H-N 119.2 8.555 N6HD21-ND2 113.23 7.731 N6HD22-ND2 113.23 7.03 E8H-N 120.1 8.529 S9H-N 117.14 8.398 K10H-N 123.36 8.07 K11H-N 118.06 8.087 K12H-N 120.32 8.195 A13H-N 123.15 7.718 V14H-N 114.57 7.666 K15H-N 120.03 7.792 L16H-N 119.91 7.592 D17H-N 120.26 7.453 L18H-N 118.67 7.354 D19H-N 123.09 8.79 L20H-N 119.81 9.328 M21H-N 121.62 8.02 K22H-N 122.17 7.737 E23H-N 115.54 7.832 T24H-N 118.97 8.365 K25H-N 123.7 8.265 N26H-N 119.11 7.623 N26HD21-ND2 112.36 7.62 N26HD22-ND2 112.36 6.786 V27H-N 120.56 8.108 C28H-N 117.56 8.43 T29H-N 115.89 8.496 T30H-N 121.16 7.941 V31H-N 119.3 7.703 N32H-N 117.37 8.244 N32HD21-ND2 109.58 5.974 N32HD22-ND2 109.58 6.396 T33H-N 112.5 8.388 K34H-N 120.63 7.576 L35H-N 121.48 8.256 V36H-N 118.99 8.697 G37H-N 104.76 7.754 K38H-N 124.39 7.896 A39H-N 122.32 8.727 K40H-N 114.34 8.43 S41H-N 115.87 8.067 K42H-N 121.9 8.362 L43H-N 118.09 8.093 N44H-N 114.8 7.559 N44HD21-ND2 111.61 6.786 N44HD22-ND2 111.61 7.55 K45H-N 117.34 7.607 L46H-N 121.32 7.288 E47H-N 122.08 7.792 G48H-N 110.14 8.573 E49H-N 121.31 8.774 H51H-N 116.73 7.29 K52H-N 120.54 7.36 E53H-N 119.97 8.696 Y54H-N 122.86 8.175 V55H-N 118.46 8.831 A56H-N 124.96 8.278 E57H-N 119.17 8.223 K58H-N 118.37 8.654 T59H-N 117.08 8.421 K60H-N 121.02 7.183 E61H-N 119.96 7.981 I62H-N 119.37 8.568 D63H-N 120.41 7.913 E64H-N 121.15 8.449 K65H-N 120.75 8.605 N66H-N 119.53 8.946 N66HD21-ND2 110.78 7.686 N66HD22-ND2 110.78 6.599 K67H-N 121.65 8.098 K68H-N 120.77 7.647 F69H-N 119.94 8.326 N70H-N 116.85 8.292 N70HD21-ND2 112.8 7.386 N70HD22-ND2 112.8 6.777 E71H-N 120.91 8.018 N72H-N 119.74 8.159 N72HD21-ND2 120.42 10.21 N72HD22-ND2 120.42 6.536 L73H-N 121.71 8.426 V74H-N 115.54 7.218 K75H-N 118.09 7.343 I76H-N 110.61 7.421 E77H-N 117.0 7.023 K78H-N 120.92 6.956 R79H-N 122.86 8.528 R79HE-NE 86.01 7.358 K80H-N 121.09 9.39 K81H-N 118.11 8.179 I82H-N 118.25 8.967 K83H-N 120.47 8.093 V84H-N 120.18 7.882 A86H-N 120.15 8.233 D87H-N 114.48 8.686 T88H-N 110.26 8.669 G89H-N 109.92 7.488 A90H-N 121.13 7.432 E91H-N 119.64 8.361 V92H-N 121.19 9.252 D93H-N 121.45 7.843 A94H-N 119.69 8.79 V95H-N 118.22 9.278 D96H-N 122.28 7.168 D97H-N 121.7 8.325 G98H-N 107.43 8.708 V99H-N 122.48 7.428 A100H-N 120.44 8.625 G101H-N 106.1 8.615 A102H-N 125.33 7.645 L103H-N 117.23 7.954 S104H-N 112.24 7.129 D105H-N 123.47 7.708 L106H-N 120.75 8.575 S107H-N 114.32 7.675 S108H-N 117.09 7.594 D109H-N 124.43 8.687 I110H-N 120.65 8.651 S111H-N 115.11 8.152 A112H-N 123.17 8.31 I113H-N 120.25 8.304 K114H-N 126.21 8.707 T115H-N 116.43 8.294 L116H-N 123.06 7.814 T117H-N 116.6 8.405 D118H-N 125.39 8.43 D119H-N 123.06 8.345 V120H-N 116.82 8.47 S121H-N 116.1 8.155 E122H-N 124.24 8.323 K123H-N 121.02 7.845 V124H-N 118.67 7.96 S125H-N 115.37 7.992 E126H-N 118.99 7.673 N127H-N 115.72 7.741 N127HD21-ND2 114.78 7.609 N127HD22-ND2 114.78 7.138 L128H-N 120.42 7.382 K129H-N 121.42 8.725 D130H-N 120.49 8.631 D131H-N 119.63 8.616 E132H-N 120.62 8.032 A133H-N 124.71 8.173 S134H-N 114.35 8.226 A135H-N 124.53 8.103 T136H-N 115.97 8.112 E137H-N 122.35 8.204 H138H-N 117.88 8.05 T139H-N 116.01 8.243 D140H-N 121.83 8.666 I141H-N 123.26 8.179 K142H-N 121.6 8.449 E143H-N 119.77 8.15 K144H-N 122.9 8.081 A145H-N 123.37 8.835 T146H-N 116.46 8.279 L147H-N 123.43 8.044 L148H-N 121.52 8.549 Q149H-N 119.17 8.229 Q149HE21-NE2 110.36 7.368 Q149HE22-NE2 110.36 6.799 E150H-N 119.7 8.767 S151H-N 118.77 9.11 C152H-N 120.71 8.429 N153H-N 119.21 8.388 N153HD21-ND2 110.58 7.627 N153HD22-ND2 110.58 6.788 G154H-N 108.62 8.23 I155H-N 122.75 8.775 G156H-N 109.89 8.498 T157H-N 116.81 7.673 I158H-N 122.89 7.182 L159H-N 119.5 7.566 D160H-N 119.23 8.39 K161H-N 117.36 7.531 L162H-N 120.36 7.861 A163H-N 119.46 8.82 E164H-N 117.63 7.919 Y165H-N 118.8 7.315 L166H-N 120.31 7.836 N167H-N 121.61 8.324 N167HD21-ND2 110.36 7.407 N167HD22-ND2 110.36 6.643 N168H-N 119.36 7.825 N168HD21-ND2 109.19 7.423 N168HD22-ND2 109.19 6.567 D169H-N 117.74 8.456 T170H-N 115.92 7.794 T171H-N 112.32 8.475 Q172H-N 122.89 8.672 Q172HE21-NE2 110.72 7.265 Q172HE22-NE2 110.72 6.681 N173H-N 119.08 8.021 N173HD21-ND2 113.22 7.006 N173HD22-ND2 113.22 7.56 I174H-N 122.14 7.846 K175H-N 119.65 8.366 K176H-N 119.16 7.766 E177H-N 120.04 8.047 F178H-N 121.78 9.211 D179H-N 119.43 8.774 E180H-N 121.28 7.925 R181H-N 118.58 7.979 R181HE-NE 85.12 7.876 K182H-N 119.19 8.469 K183H-N 121.9 8.021 N184H-N 120.7 8.07 N184HD21-ND2 111.94 8.07 N184HD22-ND2 111.94 6.898 L185H-N 120.9 8.686 T186H-N 116.14 8.034 S187H-N 118.11 7.951 L188H-N 122.44 8.338 K189H-N 121.48 8.353 T190H-N 112.46 7.533 K191H-N 120.85 7.249 V192H-N 118.35 8.115 E193H-N 115.1 7.642 N194H-N 118.71 7.553 N194HD21-ND2 112.08 7.709 N194HD22-ND2 112.08 7.079 K195H-N 124.07 8.47 D196H-N 117.53 8.244 E197H-N 119.59 7.763 D198H-N 118.55 8.589 Y199H-N 121.45 7.665 V200H-N 124.02 7.807 T201H-N 118.81 7.13 H202H-N 117.94 7.739 F203H-N 120.66 8.657 R204H-N 121.09 8.098 R204HE-NE 84.63 7.149 D205H-N 120.09 8.159 M206H-N 123.47 8.409 A207H-N 122.54 8.257 T208H-N 116.61 7.929 E209H-N 123.02 8.134 A210H-N 121.51 8.695 Q211H-N 118.36 8.111 Q211HE21-NE2 111.44 7.421 Q211HE22-NE2 111.44 6.838 N212H-N 119.89 8.331 N212HD21-ND2 112.25 7.108 N212HD22-ND2 112.25 7.024 A213H-N 125.44 8.756 V214H-N 118.92 8.548 G215H-N 109.4 8.455 E216H-N 120.41 7.747 V217H-N 119.27 7.561 K218H-N 119.19 8.555 K219H-N 119.13 7.628 A220H-N 123.81 7.913 I221H-N 120.5 8.422 D222H-N 118.98 8.196 A223H-N 121.93 7.894 V224H-N 121.97 8.263 V225H-N 122.07 8.463 A226H-N 119.74 8.134 H227H-N 119.02 8.152 R228H-N 117.22 8.158 R228HE-NE 77.83 5.949 K229H-N 117.7 8.218 A230H-N 122.99 8.107 E231H-N 115.26 7.512 N232H-N 114.05 7.805 N232HD21-ND2 112.23 7.418 N232HD22-ND2 112.23 6.745 L233H-N 117.8 8.396 D234H-N 119.86 8.363 V235H-N 121.24 8.27 D236H-N 127.46 8.531 D237H-N 125.08 8.676 T238H-N 115.86 8.292 L239H-N 124.78 7.419 F240H-N 114.84 7.216 S241H-N 118.04 8.708 N242H-N 121.21 8.561 L243H-N 124.5 8.543 S244H-N 115.2 8.019 T245H-N 116.06 7.952 L246H-N 125.67 8.098 L247H-N 118.12 8.266 D248H-N 117.24 7.539 T249H-N 117.06 8.2 I250H-N 120.36 8.601 I251H-N 115.73 7.434 E252H-N 122.67 7.501 T253H-N 118.09 8.203 S254H-N 124.35 8.022