Assignment w1 w2 F5H-N 122.27 7.853 N6H-N 114.92 8.051 N6HD22-ND2 116.705 7.716 S7H-N 112.97 8.041 F8H-N 123.56 8.364 Y9H-N 122.55 8.23 Y10H-N 115.49 7.958 T11H-N 115.14 8.806 S12H-N 120.384 8.151 L13H-N 121.64 7.893 L14H-N 120.47 7.528 Y15H-N 122.257 8.135 L16H-N 118.44 8.452 S17H-N 114.45 7.848 T18H-N 110.85 7.505 L19H-N 123.18 7.095 E20H-N 125.33 8.535 S22H-N 111.22 7.967 T23H-N 117.44 7.936 S24H-N 119.82 8.438 I25H-N 123.14 7.87 T26H-N 118.12 8.649 L27H-N 123.13 8.766 A28H-N 119.51 8.546 E29H-N 118.21 7.719 R30H-N 121.35 8.41 R30HE-NE 84.37 6.911 Q31H-N 117.67 8.742 Q31HE21-NE2 112.75 7.361 Q31HE22-NE2 112.75 7.671 Q32H-N 117.91 7.732 Q32HE21-NE2 115.9 8.071 Q32HE22-NE2 115.9 6.685 L33H-N 119.68 7.846 A34H-N 121.66 8.308 Y35H-N 120.86 8.457 D36H-N 120.57 9.072 L37H-N 123.0 9.068 S38H-N 116.65 7.824 I39H-N 121.198 8.313 S40H-N 115.537 7.961 A41H-N 123.36 7.878 L42H-N 115.79 7.737 L43H-N 113.67 7.798 G44H-N 108.27 7.984 D45H-N 128.4 9.073 K46H-N 117.23 8.987 I47H-N 121.54 6.84 Y48H-N 123.82 8.511 N49H-N 116.1 6.906 N49HD21-ND2 113.516 7.128 N49HD22-ND2 113.516 7.869 F50H-N 124.36 8.98 G51H-N 109.74 8.658 E52H-N 120.7 8.321 L53H-N 119.4 7.694 L54H-N 114.23 8.369 H55H-N 113.42 7.569 H56H-N 126.05 8.068 I58H-N 124.9 11.871 M59H-N 120.23 8.152 E60H-N 119.08 7.889 T61H-N 106.74 7.558 I62H-N 113.14 7.235 V63H-N 122.11 7.436 N64H-N 116.81 8.352 N64HD21-ND2 114.2 7.569 N64HD22-ND2 114.2 6.922 D65H-N 120.93 7.453 N67H-N 120.05 9.014 N67HD21-ND2 116.188 6.958 N67HD22-ND2 116.188 7.989 Y68H-N 114.84 8.276 D69H-N 122.81 7.806 W70H-N 117.27 8.172 W70HE1-NE1 130.045 10.208 L71H-N 125.263 6.251 F72H-N 117.63 6.996 Q73H-N 117.95 8.415 Q73HE21-NE2 112.225 6.81 Q73HE22-NE2 112.225 7.787 L74H-N 122.275 8.365 L75H-N 118.123 8.21 N76H-N 117.96 8.363 N76HD21-ND2 112.225 6.703 N76HD22-ND2 112.225 7.44 A77H-N 121.74 8.385 L78H-N 116.55 7.965 T79H-N 113.22 7.565 V80H-N 110.8 7.792 G81H-N 112.91 7.506 D82H-N 119.112 8.254 F83H-N 123.87 8.025 D84H-N 119.583 8.464 K85H-N 122.2 8.009 F86H-N 118.59 8.331 D87H-N 117.79 8.56 S88H-N 112.94 7.757 L89H-N 121.71 8.173 I90H-N 119.83 8.424 K91H-N 117.98 7.569 V92H-N 115.45 7.432 Q93H-N 117.25 8.127 Q93HE21-NE2 108.05 5.945 Q93HE22-NE2 108.05 6.496 I94H-N 118.013 8.39 S95H-N 112.22 7.227 K96H-N 119.0 7.25 I97H-N 120.53 7.713 I99H-N 115.6 8.552 L100H-N 119.43 7.404 A101H-N 121.39 7.839 Q102H-N 115.47 8.276 Q102HE21-NE2 110.61 6.758 Q102HE22-NE2 110.61 7.331 H103H-N 115.98 7.45 E104H-N 122.92 7.332 S105H-N 113.18 8.931 F106H-N 123.77 8.04 L107H-N 121.397 8.481 R108H-N 117.45 8.48 R108HE-NE 85.081 8.299 Q109H-N 119.098 7.886 Q109HE21-NE2 111.512 7.118 Q109HE22-NE2 111.512 7.829 K110H-N 121.11 8.356 I111H-N 116.87 7.848 C112H-N 123.99 7.473 L113H-N 120.218 8.443 M114H-N 116.91 8.84 T115H-N 115.67 8.095 L116H-N 125.42 8.164 I117H-N 114.74 8.032 E118H-N 121.2 8.176 T119H-N 114.46 8.008 V120H-N 118.05 7.8 F121H-N 118.36 8.37 V122H-N 118.71 8.959 K123H-N 115.96 7.688 N124H-N 117.44 7.56 N124HD21-ND2 112.019 7.49 N124HD22-ND2 112.019 6.716 I125H-N 116.78 7.658 R126H-N 122.4 8.658 M127H-N 119.87 7.487 L128H-N 124.94 8.961 S129H-N 119.08 9.512 F130H-N 120.53 8.712 E131H-N 121.18 8.961 D132H-N 120.93 8.369 I133H-N 120.36 8.062 S134H-N 120.05 8.823 K135H-N 119.06 8.258 A136H-N 118.35 7.538 T137H-N 101.77 7.777 H138H-N 113.66 7.567 L139H-N 120.07 7.513 K141H-N 123.93 8.95 D142H-N 114.51 8.491 N143H-N 116.4 8.191 N143HD21-ND2 109.67 6.934 N143HD22-ND2 109.67 7.219 V144H-N 120.49 7.472 E145H-N 122.34 9.141 H146H-N 116.97 8.162 L147H-N 120.67 7.336 V148H-N 118.06 8.172 M149H-N 117.77 8.585 R150H-N 121.9 8.16 A151H-N 121.71 8.165 I152H-N 118.59 8.331 S153H-N 120.25 8.756 L154H-N 119.48 8.129 G155H-N 106.99 8.023 L156H-N 116.51 8.101 L157H-N 112.79 7.194 K158H-N 121.01 9.056 G159H-N 109.8 8.287 S160H-N 112.94 8.847 I161H-N 123.02 8.867 D162H-N 128.13 8.955 Q163H-N 123.48 8.982 Q163HE21-NE2 113.47 8.484 Q163HE22-NE2 113.47 6.807 V164H-N 119.22 7.974 N165H-N 114.43 7.502 N165HD21-ND2 118.68 8.957 N165HD22-ND2 118.68 6.936 E166H-N 116.97 7.268 L167H-N 117.36 7.699 V168H-N 125.35 9.445 T169H-N 123.02 8.824 I170H-N 126.7 8.911 S171H-N 122.78 9.242 W172H-N 123.97 7.929 W172HE1-NE1 130.368 10.233 V173H-N 123.66 6.764 Q174H-N 126.43 7.071 Q174HE21-NE2 111.655 6.847 Q174HE22-NE2 111.655 7.64 R176H-N 124.37 6.457 R176HE-NE 85.473 7.593