Assignment w1 w2 T9H-N 117.875 8.355 K11H-N 122.196 8.474 T12H-N 115.686 8.159 E13H-N 123.51 8.418 L14H-N 123.831 8.27 V15H-N 122.605 8.046 Q16H-N 125.386 8.308 Q16HE21-NE2 111.662 7.49 Q16HE22-NE2 111.662 6.916 K17H-N 123.005 7.776 F18H-N 122.492 8.909 R19H-N 126.852 8.87 R19HE-NE 85.485 7.815 V20H-N 120.666 8.901 Q21H-N 116.482 9.107 Q21HE21-NE2 112.859 6.635 Q21HE22-NE2 112.859 8.052 Y22H-N 123.706 8.871 L23H-N 129.908 8.356 G24H-N 103.276 5.509 M25H-N 116.979 7.57 L26H-N 125.808 8.556 V28H-N 112.846 8.007 D29H-N 117.014 8.494 R30H-N 116.728 7.062 R30HE-NE 85.562 7.255 V32H-N 106.878 6.267 G33H-N 105.719 3.372 M34H-N 125.147 8.94 D35H-N 120.23 8.95 T36H-N 119.854 7.481 L37H-N 122.204 7.928 N38H-N 114.785 9.105 N38HD21-ND2 112.358 7.683 N38HD22-ND2 112.358 7.247 S39H-N 114.87 7.738 A40H-N 124.154 7.201 I41H-N 116.763 8.197 E42H-N 116.14 8.467 N43H-N 118.643 7.834 N43HD21-ND2 111.695 6.769 N43HD22-ND2 111.695 7.279 L44H-N 119.737 7.933 M45H-N 118.45 8.593 T46H-N 108.368 7.763 S47H-N 115.327 7.744 S48H-N 114.464 7.735 S49H-N 115.059 8.586 K50H-N 123.344 7.631 E51H-N 115.374 7.927 D52H-N 117.368 7.758 W53H-N 123.763 7.009 W53HE1-NE1 129.578 9.865 S55H-N 117.454 8.734 V56H-N 118.721 9.421 N57H-N 117.537 9.087 N57HD21-ND2 112.796 7.353 N57HD22-ND2 112.796 6.981 M58H-N 124.777 9.603 N59H-N 127.198 9.468 N59HD21-ND2 109.193 6.595 N59HD22-ND2 109.193 6.833 V60H-N 125.547 9.269 A61H-N 130.109 8.446 D62H-N 118.939 8.871 A63H-N 117.468 8.775 T64H-N 113.852 7.61 V65H-N 125.994 8.777 T66H-N 122.136 8.955 V67H-N 126.584 9.146 I68H-N 128.076 9.104 S69H-N 120.205 8.444 E70H-N 124.461 8.341 K71H-N 117.211 8.106 N72H-N 116.249 7.469 N72HD21-ND2 112.472 7.716 N72HD22-ND2 112.472 7.015 E73H-N 121.368 8.666 E74H-N 115.553 8.034 E75H-N 122.561 7.962 V76H-N 127.114 8.302 L77H-N 129.817 9.052 V78H-N 115.05 7.363 E79H-N 128.014 8.734 C80H-N 127.055 9.259 R81H-N 130.383 9.199 V82H-N 122.554 8.469 R83H-N 117.669 8.059 F84H-N 115.732 8.216 L85H-N 125.837 7.739 S86H-N 121.012 9.028 F87H-N 124.644 7.67 M88H-N 121.732 7.673 G89H-N 103.015 8.094 V90H-N 119.14 6.86 G91H-N 110.88 7.507 K92H-N 117.774 8.101 D93H-N 116.595 8.409 V94H-N 121.448 8.433 H95H-N 117.202 9.008 T96H-N 109.502 8.482 F97H-N 121.421 8.744 A98H-N 127.511 7.966 F99H-N 111.349 8.031 I100H-N 121.221 9.317 M101H-N 123.91 9.529 D102H-N 124.67 9.482 T103H-N 116.366 8.548 G104H-N 112.975 9.044 N105H-N 118.321 8.731 N105HD21-ND2 112.857 7.475 N105HD22-ND2 112.857 6.845 Q106H-N 112.691 9.057 Q106HE21-NE2 112.95 7.671 Q106HE22-NE2 112.95 6.723 R107H-N 117.777 6.815 F108H-N 122.876 8.284 E109H-N 121.103 9.268 C110H-N 124.146 8.935 H111H-N 128.89 8.432 V112H-N 119.87 7.578 F113H-N 124.061 9.502 W114H-N 122.422 9.304 W114HE1-NE1 131.716 10.657 C115H-N 129.665 9.32 E116H-N 120.029 8.832 N118H-N 110.781 7.397 N118HD21-ND2 117.594 7.319 N118HD22-ND2 117.594 7.797 A119H-N 116.004 8.557 A120H-N 125.313 9.092 N121H-N 116.599 8.492 N121HD21-ND2 111.281 7.671 N121HD22-ND2 111.281 7.0 V122H-N 122.029 8.206 S123H-N 112.208 7.306 E124H-N 122.778 7.976 A125H-N 121.45 7.481 V126H-N 119.458 8.106 Q127H-N 121.158 8.25 Q127HE21-NE2 108.5 5.944 Q127HE22-NE2 108.5 6.468 A128H-N 121.207 8.127 A129H-N 121.091 7.575 C130H-N 114.212 7.498 S131H-N 112.024 7.889 G132H-N 109.892 8.012 S134H-N 116.049 8.484 S135H-N 117.72 8.347 I137H-N 119.617 7.957 E138H-N 124.545 8.586 G139H-N 109.931 8.401 R140H-N 120.47 8.196 G141H-N 109.975 8.506 D154H-N 120.751 8.157 A155H-N 124.09 8.204 A156H-N 122.396 8.223 V157H-N 118.466 7.793 T158H-N 117.504 8.471 E160H-N 119.122 8.58 E161H-N 119.564 7.849 R162H-N 120.733 8.326 H163H-N 119.997 8.2 L164H-N 118.6 8.452 S165H-N 112.267 8.081 K166H-N 121.985 7.717 M167H-N 118.33 8.161 Q168H-N 115.879 8.107 Q168HE21-NE2 114.378 8.237 Q168HE22-NE2 114.378 6.164 Q169H-N 117.115 8.197 Q169HE21-NE2 111.68 7.421 Q169HE22-NE2 111.68 6.822 N170H-N 113.635 8.281 N170HD21-ND2 112.617 7.033 N170HD22-ND2 112.617 7.621 G171H-N 109.977 7.867 Y172H-N 120.874 8.002 E173H-N 128.47 8.251 N174H-N 121.971 7.077 N174HD21-ND2 116.522 9.484 N174HD22-ND2 116.522 6.045 T176H-N 111.323 7.891 Y177H-N 123.19 6.99 K178H-N 126.128 8.115 F180H-N 121.174 7.723 E181H-N 122.687 8.203 Q182H-N 119.869 8.026 Q182HE21-NE2 112.368 7.562 Q182HE22-NE2 112.368 6.837 M183H-N 121.216 8.231 Q184H-N 121.612 8.303 Q184HE21-NE2 113.001 7.505 Q184HE22-NE2 113.001 6.807 N185H-N 125.732 8.05 N185HD21-ND2 112.756 6.783 N185HD22-ND2 112.756 7.492