Assignment w1 w2 T2H-N 117.751 8.314 G3H-N 111.551 8.431 T5H-N 113.817 8.314 A6H-N 126.16 8.358 D7H-N 121.643 8.406 E9H-N 118.382 8.31 K10H-N 121.46 8.007 R11H-N 117.575 8.187 K12H-N 118.644 7.744 L13H-N 126.625 8.065 I14H-N 119.888 8.182 Q15H-N 117.89 8.238 Q15HE21-NE2 109.664 7.271 Q15HE22-NE2 109.664 6.781 Q16H-N 116.823 8.524 Q16HE21-NE2 108.407 6.706 Q16HE22-NE2 108.407 7.124 Q17H-N 120.253 7.775 Q17HE21-NE2 109.713 6.784 Q17HE22-NE2 109.713 7.264 L18H-N 118.303 8.432 V19H-N 117.076 8.468 L20H-N 120.262 7.748 L21H-N 120.867 8.468 L22H-N 119.654 8.243 H23H-N 118.16 8.437 A24H-N 122.101 9.299 H25H-N 116.628 8.304 K26H-N 118.763 7.232 C27H-N 123.596 8.823 Q28H-N 118.099 8.344 Q28HE21-NE2 110.679 7.53 Q28HE22-NE2 110.679 6.787 R29H-N 119.295 7.603 R30H-N 120.072 8.101 E31H-N 120.182 7.745 Q32H-N 118.594 8.174 Q32HE21-NE2 111.622 7.541 Q32HE22-NE2 111.622 6.892 A33H-N 122.336 8.013 N34H-N 115.431 8.169 N34HD21-ND2 112.217 6.971 N34HD22-ND2 112.217 7.67 G35H-N 108.917 8.317 E36H-N 120.003 8.196 V37H-N 121.198 8.145 R38H-N 125.214 8.533 A39H-N 126.297 8.442 C40H-N 124.17 8.546 S41H-N 123.961 8.889 R46H-N 122.076 7.964 T47H-N 113.486 8.301 M48H-N 119.862 8.097 K49H-N 122.484 9.336 N50H-N 117.218 7.969 N50HD21-ND2 112.378 7.835 N50HD22-ND2 112.378 7.054 V51H-N 123.815 7.982 L52H-N 120.932 8.688 N53H-N 116.694 8.31 N53HD21-ND2 112.436 7.229 N53HD22-ND2 112.436 7.826 H54H-N 119.678 7.969 M55H-N 119.628 9.135 T56H-N 110.193 7.673 H57H-N 115.391 7.054 C58H-N 123.805 7.213 Q59H-N 129.03 9.18 Q59HE21-NE2 112.427 6.891 Q59HE22-NE2 112.427 7.484 A60H-N 125.172 8.779 G61H-N 108.038 8.249 K62H-N 125.69 9.03 A63H-N 119.331 7.704 C64H-N 122.035 7.572 Q65H-N 128.958 9.043 Q65HE21-NE2 113.041 7.518 Q65HE22-NE2 113.041 6.89 V66H-N 127.696 9.307 A67H-N 133.846 8.536 H68H-N 111.325 8.103 C69H-N 126.655 8.055 A70H-N 118.6 8.828 S71H-N 114.67 8.978 S72H-N 120.197 7.804 R73H-N 122.444 8.816 Q74H-N 119.054 8.051 Q74HE21-NE2 110.39 7.974 Q74HE22-NE2 110.39 6.622 I75H-N 120.354 8.254 I76H-N 120.297 8.912 S77H-N 114.679 8.296 H78H-N 118.759 8.154 W79H-N 119.67 8.579 W79HE1-NE1 129.419 10.448 K80H-N 115.605 8.715 N81H-N 113.382 7.306 N81HD21-ND2 115.338 7.707 N81HD22-ND2 115.338 7.213 C82H-N 124.562 7.705 T83H-N 118.459 8.439 D86H-N 116.294 8.045 C87H-N 122.718 7.067 V89H-N 120.185 8.345 C90H-N 119.297 8.626 L91H-N 118.856 7.954 L93H-N 115.437 7.349 K94H-N 119.003 8.06 N95H-N 117.799 8.352 N95HD21-ND2 112.087 7.656 N95HD22-ND2 112.087 6.942 A96H-N 123.756 8.066 S97H-N 113.963 8.168 D98H-N 122.139 8.343 K99H-N 121.516 8.147 R100H-N 127.707 7.996 G1H-N 107.193 8.348 S2H-N 111.016 8.549 M4H-N 121.859 8.372 K5H-N 123.061 8.475 S6H-N 117.18 8.379 T7H-N 115.5 8.255 Q8H-N 122.482 8.42 A9H-N 125.454 8.424 G10H-N 108.355 8.416 E11H-N 120.858 8.411 G12H-N 109.908 8.624 T13H-N 112.786 8.043 L14H-N 124.221 8.562 S15H-N 114.838 8.288 E16H-N 122.039 8.198 A17H-N 122.212 8.078 L18H-N 117.404 8.019 L19H-N 118.826 7.715 H20H-N 115.932 7.925 L21H-N 121.842 7.67 Q22H-N 121.022 8.346 F23H-N 120.656 8.248 D24H-N 124.426 8.681 A25H-N 125.132 8.643 D26H-N 117.395 8.502 E27H-N 121.142 7.84 D28H-N 122.33 8.695 L29H-N 125.187 8.625 G30H-N 105.712 8.737 A31H-N 123.147 8.207 L32H-N 117.046 7.732 L33H-N 116.188 7.543 G34H-N 107.29 7.894 N35H-N 118.767 8.508 N35HD21-ND2 112.369 6.967 N35HD22-ND2 112.369 7.631 S36H-N 115.559 8.263 T37H-N 115.417 8.158 D38H-N 124.344 8.3 G40H-N 108.136 8.587 V41H-N 118.324 7.604 F42H-N 123.349 8.414 T43H-N 116.065 7.707 D44H-N 123.643 8.346 L45H-N 123.077 8.677 A46H-N 120.062 8.362 S47H-N 110.565 7.835 V48H-N 122.99 7.341 D49H-N 127.463 9.02 N50H-N 124.105 8.427 S51H-N 117.462 8.494 E52H-N 121.408 9.063 F53H-N 124.028 8.261 Q54H-N 117.392 7.876 Q54HE21-NE2 112.267 6.968 Q54HE22-NE2 112.267 7.448 Q55H-N 116.259 7.713 Q55HE21-NE2 111.641 6.907 Q55HE22-NE2 111.641 7.524 L56H-N 121.0 7.389 L57H-N 116.212 7.244 N58H-N 116.46 7.767 N58HD21-ND2 111.257 6.963 N58HD22-ND2 111.257 7.575 Q59H-N 119.455 7.925 Q59HE21-NE2 111.487 7.553 Q59HE22-NE2 111.487 6.961 G60H-N 109.147 8.348 V61H-N 118.669 7.971 S62H-N 118.973 8.421 M63H-N 122.653 8.472 S64H-N 116.533 8.312 H65H-N 123.016 8.472 S66H-N 117.328 8.457 T67H-N 115.911 8.288 A68H-N 126.132 8.297 E69H-N 121.978 8.275