Assignment w1 w2 I4H-N 123.064 8.202 K5H-N 126.593 8.365 I6H-N 124.693 8.191 V7H-N 123.781 8.616 E9H-N 116.607 7.531 L10H-N 123.974 9.062 A11H-N 129.008 8.646 V12H-N 118.682 8.377 G13H-N 105.998 6.997 A15H-N 123.43 8.487 S16H-N 110.37 8.017 D17H-N 121.428 7.958 V18H-N 113.996 6.974 N20H-N 117.579 8.551 G21H-N 114.803 9.208 T22H-N 110.834 7.786 G23H-N 104.342 8.383 K24H-N 125.073 8.906 I25H-N 124.303 7.977 Y26H-N 125.28 9.338 Q27H-N 122.623 8.844 F28H-N 126.357 8.437 N29H-N 123.945 8.866 D30H-N 122.098 8.605 D31H-N 122.252 8.376 K32H-N 120.521 8.669 V33H-N 120.153 9.397 I34H-N 124.405 9.689 V35H-N 131.018 8.897 V36H-N 125.471 8.515 N37H-N 123.016 7.807 H38H-N 121.641 8.365 G39H-N 117.29 8.669 G40H-N 107.761 8.87 S41H-N 116.02 7.741 L42H-N 127.5 8.27 T43H-N 115.672 8.889 A44H-N 121.566 8.807 V45H-N 113.855 8.052 S46H-N 114.426 8.993 A47H-N 123.149 9.11 I48H-N 119.309 7.592 T50H-N 111.88 9.558 H51H-N 119.922 9.248 L55H-N 120.2 8.29 V56H-N 116.292 7.91 H57H-N 111.418 8.148 W58H-N 119.816 8.811 W58HE1-NE1 128.892 10.903 D59H-N 130.76 8.23 E60H-N 125.068 8.066 A61H-N 120.186 7.975 A62H-N 118.34 7.237 D63H-N 120.385 7.74 M64H-N 112.98 6.557 I65H-N 120.971 8.901 A66H-N 132.281 8.763 D77H-N 108.736 7.835 G78H-N 108.106 8.418 K79H-N 118.489 7.978 I80H-N 120.76 8.703 I81H-N 128.367 8.517 S82H-N 110.487 7.719 G83H-N 108.106 8.418 L87H-N 118.679 6.848 L89H-N 120.743 8.899 K90H-N 124.393 8.577 Q91H-N 122.655 8.337 Y92H-N 123.325 8.679 K93H-N 121.306 8.719 V94H-N 119.449 8.38 K95H-N 124.477 8.405 I96H-N 119.891 8.384 E97H-N 128.576 9.073 G99H-N 101.638 8.433 K100H-N 121.282 7.995 I101H-N 121.107 8.773 V102H-N 129.075 9.051 V103H-N 130.107 8.54 S104H-N 117.878 9.064 I105H-N 119.069 8.18 A106H-N 128.917 8.613 L108H-N 124.701 8.327 A109H-N 125.457 8.335 A111H-N 123.064 8.202 L112H-N 120.913 8.122 E113H-N 121.143 8.277 I4H-N 123.123 8.211 K5H-N 126.675 8.374 I6H-N 124.793 8.198 V7H-N 123.886 8.625 E9H-N 116.687 7.54 L10H-N 124.118 9.07 A11H-N 129.076 8.657 V12H-N 118.821 8.383 G13H-N 106.074 7.004 A15H-N 123.597 8.497 S16H-N 110.447 8.026 D17H-N 121.536 7.961 V18H-N 114.109 6.983 N20H-N 117.716 8.556 G21H-N 114.9 9.208 T22H-N 110.93 7.794 G23H-N 104.472 8.391 K24H-N 125.215 8.909 I25H-N 124.292 7.985 Y26H-N 125.333 9.338 Q27H-N 122.653 8.848 F28H-N 126.428 8.443 N29H-N 123.978 8.869 D30H-N 122.098 8.615 D31H-N 122.366 8.386 K32H-N 120.561 8.675 V33H-N 120.25 9.398 I34H-N 124.51 9.702 V35H-N 131.098 8.898 V36H-N 125.496 8.522 N37H-N 123.096 7.813 H38H-N 121.632 8.374 G39H-N 117.407 8.685 G40H-N 107.813 8.875 S41H-N 116.166 7.747 L42H-N 127.66 8.274 T43H-N 115.741 8.892 A44H-N 121.6 8.81 V45H-N 113.994 8.061 S46H-N 114.569 8.999 A47H-N 123.174 9.119 I48H-N 119.401 7.601 T50H-N 111.979 9.563 H51H-N 119.987 9.253 L55H-N 120.295 8.3 V56H-N 116.353 7.915 H57H-N 111.458 8.153 W58H-N 119.942 8.819 W58HE1-NE1 128.892 10.903 D59H-N 130.867 8.232 E60H-N 125.211 8.069 A61H-N 120.292 7.973 A62H-N 118.379 7.244 D63H-N 120.492 7.746 M64H-N 113.08 6.571 I65H-N 121.135 8.906 A66H-N 132.286 8.763 D77H-N 108.791 7.841 G78H-N 108.304 8.426 K79H-N 118.604 7.987 I80H-N 120.936 8.704 I81H-N 128.414 8.521 S82H-N 110.548 7.723 G83H-N 108.127 8.427 L87H-N 118.679 6.848 L89H-N 120.787 8.904 K90H-N 124.411 8.587 Q91H-N 122.722 8.342 Y92H-N 123.385 8.685 K93H-N 121.455 8.719 V94H-N 119.5 8.384 K95H-N 124.597 8.416 I96H-N 119.953 8.387 E97H-N 128.646 9.082 G99H-N 101.753 8.438 K100H-N 121.423 8.009 I101H-N 121.186 8.778 V102H-N 129.012 9.065 V103H-N 130.171 8.545 S104H-N 117.923 9.072 I105H-N 119.233 8.19 A106H-N 129.022 8.616 L108H-N 124.818 8.331 A109H-N 125.494 8.338 A111H-N 123.086 8.215 L112H-N 121.011 8.13 E113H-N 121.244 8.284 I4H-N 123.225 8.207 K5H-N 126.589 8.369 I6H-N 124.484 8.193 V7H-N 123.799 8.62 E9H-N 116.613 7.536 L10H-N 124.01 9.065 A11H-N 129.021 8.65 V12H-N 118.673 8.378 G13H-N 105.999 6.999 A15H-N 123.482 8.492 S16H-N 110.34 8.021 D17H-N 121.463 7.959 V18H-N 114.027 6.979 N20H-N 117.601 8.552 G21H-N 114.812 9.197 T22H-N 110.874 7.792 G23H-N 104.37 8.389 K24H-N 125.089 8.903 I25H-N 124.309 7.98 Y26H-N 125.29 9.333 Q27H-N 122.574 8.845 F28H-N 126.369 8.437 N29H-N 123.979 8.864 D30H-N 122.103 8.604 D31H-N 122.256 8.38 K32H-N 120.479 8.671 V33H-N 120.173 9.393 I34H-N 124.418 9.698 V35H-N 131.027 8.894 V36H-N 125.468 8.519 N37H-N 123.013 7.812 H38H-N 121.628 8.363 G39H-N 117.332 8.683 G40H-N 107.75 8.87 S41H-N 116.054 7.744 L42H-N 127.562 8.27 T43H-N 115.672 8.886 A44H-N 121.582 8.806 V45H-N 113.862 8.054 S46H-N 114.463 8.994 A47H-N 123.14 9.116 I48H-N 119.311 7.597 T50H-N 111.894 9.561 H51H-N 119.933 9.249 L55H-N 120.122 8.297 V56H-N 116.292 7.91 H57H-N 111.354 8.145 W58H-N 119.846 8.817 W58HE1-NE1 128.892 10.903 D59H-N 130.83 8.219 E60H-N 125.114 8.057 A61H-N 120.285 7.975 A62H-N 118.291 7.241 D63H-N 120.42 7.744 M64H-N 112.984 6.575 I65H-N 121.082 8.903 A66H-N 132.241 8.751 D77H-N 108.715 7.835 G78H-N 108.266 8.42 K79H-N 118.473 7.983 I80H-N 120.802 8.7 I81H-N 128.415 8.518 S82H-N 110.449 7.719 G83H-N 107.958 8.422 L87H-N 118.679 6.848 L89H-N 120.667 8.898 K90H-N 124.464 8.578 Q91H-N 122.636 8.338 Y92H-N 123.36 8.677 K93H-N 121.349 8.715 V94H-N 119.461 8.378 K95H-N 124.49 8.41 I96H-N 119.888 8.383 E97H-N 128.661 9.073 G99H-N 101.65 8.433 K100H-N 121.303 8.002 I101H-N 121.034 8.773 V102H-N 129.126 9.055 V103H-N 130.139 8.543 S104H-N 117.888 9.067 I105H-N 119.174 8.185 A106H-N 128.956 8.611 L108H-N 124.662 8.325 A109H-N 125.474 8.337 A111H-N 123.005 8.209 L112H-N 120.914 8.125 E113H-N 121.155 8.277 I4H-N 123.177 8.207 K5H-N 126.665 8.369 I6H-N 124.631 8.195 V7H-N 123.877 8.621 E9H-N 116.618 7.535 L10H-N 124.066 9.066 A11H-N 129.036 8.652 V12H-N 118.695 8.378 G13H-N 106.026 6.999 A15H-N 123.464 8.492 S16H-N 110.427 8.021 D17H-N 121.496 7.958 V18H-N 114.087 6.979 N20H-N 117.647 8.553 G21H-N 114.833 9.194 T22H-N 110.887 7.793 G23H-N 104.332 8.389 K24H-N 125.15 8.903 I25H-N 124.319 7.979 Y26H-N 125.376 9.333 Q27H-N 122.66 8.845 F28H-N 126.43 8.436 N29H-N 124.095 8.864 D30H-N 122.089 8.61 D31H-N 122.316 8.378 K32H-N 120.528 8.672 V33H-N 120.212 9.393 I34H-N 124.387 9.7 V35H-N 131.029 8.894 V36H-N 125.534 8.52 N37H-N 123.021 7.813 H38H-N 121.57 8.366 G39H-N 117.326 8.689 G40H-N 107.834 8.87 S41H-N 116.088 7.744 L42H-N 127.579 8.27 T43H-N 115.694 8.887 A44H-N 121.59 8.805 V45H-N 113.899 8.054 S46H-N 114.485 8.994 A47H-N 123.118 9.116 I48H-N 119.342 7.597 T50H-N 111.94 9.56 H51H-N 119.983 9.249 L55H-N 120.12 8.294 V56H-N 116.321 7.91 H57H-N 111.368 8.143 W58H-N 119.912 8.819 W58HE1-NE1 128.892 10.903 D59H-N 130.846 8.218 E60H-N 125.185 8.054 A61H-N 120.198 7.974 A62H-N 118.316 7.242 D63H-N 98.471 7.747 M64H-N 113.068 6.576 I65H-N 121.099 8.904 A66H-N 132.23 8.75 D77H-N 108.737 7.835 G78H-N 108.227 8.419 K79H-N 118.522 7.983 I80H-N 120.834 8.699 I81H-N 128.378 8.513 S82H-N 110.516 7.717 G83H-N 108.035 8.421 L87H-N 118.679 6.848 L89H-N 120.658 8.897 K90H-N 124.402 8.578 Q91H-N 122.735 8.338 Y92H-N 123.311 8.678 K93H-N 121.377 8.715 V94H-N 119.468 8.38 K95H-N 124.462 8.41 I96H-N 119.84 8.381 E97H-N 128.523 9.076 G99H-N 101.638 8.433 K100H-N 121.354 8.002 I101H-N 121.091 8.774 V102H-N 129.146 9.057 V103H-N 130.1 8.542 S104H-N 117.91 9.067 I105H-N 119.15 8.183 A106H-N 128.961 8.611 L108H-N 124.772 8.329 A109H-N 125.516 8.335 A111H-N 123.022 8.209 L112H-N 120.959 8.125 E113H-N 121.247 8.276 I4H-N 123.249 8.208 K5H-N 126.567 8.369 I6H-N 124.581 8.193 V7H-N 123.785 8.621 E9H-N 116.592 7.536 L10H-N 123.983 9.065 A11H-N 128.985 8.653 V12H-N 118.68 8.377 G13H-N 105.993 6.999 A15H-N 123.465 8.492 S16H-N 110.333 8.02 D17H-N 121.45 7.958 V18H-N 114.012 6.979 N20H-N 117.579 8.552 G21H-N 114.785 9.193 T22H-N 110.876 7.793 G23H-N 104.363 8.389 K24H-N 125.083 8.903 I25H-N 124.304 7.98 Y26H-N 125.273 9.333 Q27H-N 122.563 8.845 F28H-N 126.371 8.437 N29H-N 123.948 8.863 D30H-N 122.041 8.606 D31H-N 122.253 8.379 K32H-N 120.482 8.673 V33H-N 120.165 9.393 I34H-N 124.411 9.699 V35H-N 131.018 8.893 V36H-N 125.462 8.519 N37H-N 122.98 7.814 H38H-N 121.573 8.366 G39H-N 117.369 8.687 G40H-N 107.728 8.871 S41H-N 116.036 7.745 L42H-N 127.569 8.269 T43H-N 115.662 8.886 A44H-N 121.557 8.804 V45H-N 113.851 8.054 S46H-N 114.436 8.994 A47H-N 123.131 9.117 I48H-N 119.301 7.597 T50H-N 111.895 9.56 H51H-N 119.939 9.248 L55H-N 120.183 8.293 V56H-N 116.281 7.911 H57H-N 111.323 8.142 W58H-N 119.817 8.819 W58HE1-NE1 128.892 10.903 D59H-N 130.831 8.215 E60H-N 125.102 8.053 A61H-N 120.172 7.974 A62H-N 118.26 7.243 D63H-N 120.434 7.747 M64H-N 113.028 6.579 I65H-N 121.052 8.905 A66H-N 132.226 8.748 D77H-N 108.69 7.834 G78H-N 108.248 8.419 K79H-N 118.471 7.984 I80H-N 120.779 8.699 I81H-N 128.348 8.519 S82H-N 110.444 7.718 G83H-N 107.964 8.421 L87H-N 118.679 6.848 L89H-N 120.675 8.899 K90H-N 124.442 8.577 Q91H-N 122.644 8.338 Y92H-N 123.352 8.677 K93H-N 121.328 8.715 V94H-N 119.43 8.378 K95H-N 124.473 8.41 I96H-N 119.896 8.383 E97H-N 128.558 9.078 G99H-N 101.638 8.433 K100H-N 121.289 8.002 I101H-N 121.038 8.775 V102H-N 129.107 9.057 V103H-N 130.081 8.542 S104H-N 117.872 9.067 I105H-N 119.116 8.184 A106H-N 128.936 8.611 L108H-N 124.637 8.325 A109H-N 125.523 8.337 A111H-N 123.012 8.21 L112H-N 120.901 8.124 E113H-N 121.144 8.276 I4H-N 123.064 8.206 K5H-N 126.587 8.368 I6H-N 124.683 8.194 V7H-N 123.77 8.621 E9H-N 116.595 7.534 L10H-N 123.989 9.065 A11H-N 128.981 8.653 V12H-N 118.663 8.377 G13H-N 105.978 6.999 A15H-N 123.447 8.491 S16H-N 110.324 8.019 D17H-N 121.439 7.957 V18H-N 114.005 6.978 N20H-N 117.585 8.552 G21H-N 114.783 9.192 T22H-N 110.878 7.793 G23H-N 104.354 8.388 K24H-N 125.074 8.902 I25H-N 124.294 7.978 Y26H-N 125.264 9.332 Q27H-N 122.599 8.844 F28H-N 126.337 8.437 N29H-N 123.979 8.863 D30H-N 121.968 8.605 D31H-N 122.113 8.378 K32H-N 120.479 8.672 V33H-N 120.157 9.392 I34H-N 124.429 9.698 V35H-N 131.008 8.892 V36H-N 125.436 8.519 N37H-N 122.99 7.814 H38H-N 121.641 8.366 G39H-N 117.329 8.689 G40H-N 107.751 8.871 S41H-N 116.039 7.745 L42H-N 127.571 8.268 T43H-N 115.652 8.885 A44H-N 121.567 8.804 V45H-N 113.835 8.052 S46H-N 114.442 8.993 A47H-N 123.136 9.117 I48H-N 119.298 7.596 T50H-N 111.882 9.56 H51H-N 119.943 9.247 L55H-N 120.126 8.294 V56H-N 116.279 7.91 H57H-N 111.326 8.139 W58H-N 119.823 8.82 W58HE1-NE1 128.892 10.903 D59H-N 130.804 8.212 E60H-N 125.092 8.051 A61H-N 120.234 7.972 A62H-N 118.252 7.243 D63H-N 120.407 7.744 M64H-N 113.011 6.58 I65H-N 121.044 8.904 A66H-N 132.23 8.746 D77H-N 108.678 7.834 G78H-N 108.238 8.419 K79H-N 118.463 7.983 I80H-N 120.811 8.698 I81H-N 128.362 8.517 S82H-N 110.431 7.718 G83H-N 107.967 8.421 L87H-N 118.679 6.848 L89H-N 120.694 8.897 K90H-N 124.42 8.577 Q91H-N 122.628 8.338 Y92H-N 123.326 8.677 K93H-N 121.309 8.713 V94H-N 119.476 8.378 K95H-N 124.466 8.408 I96H-N 119.905 8.382 E97H-N 128.55 9.077 G99H-N 101.636 8.433 K100H-N 121.29 8.001 I101H-N 121.095 8.773 V102H-N 129.061 9.056 V103H-N 130.094 8.542 S104H-N 117.858 9.067 I105H-N 119.078 8.183 A106H-N 128.927 8.611 L108H-N 124.508 8.322 A109H-N 125.503 8.336 A111H-N 122.966 8.209 L112H-N 120.899 8.124 E113H-N 121.137 8.275 I4H-N 123.064 8.206 K5H-N 126.634 8.368 I6H-N 124.62 8.192 V7H-N 123.812 8.619 E9H-N 116.617 7.534 L10H-N 123.999 9.062 A11H-N 128.998 8.65 V12H-N 118.553 8.377 G13H-N 106.003 7.0 A15H-N 123.397 8.491 S16H-N 110.466 8.014 D17H-N 121.497 7.957 V18H-N 114.029 6.979 N20H-N 117.559 8.553 G21H-N 114.813 9.189 T22H-N 110.861 7.797 G23H-N 104.334 8.392 K24H-N 125.106 8.902 I25H-N 124.261 7.978 Y26H-N 125.314 9.33 Q27H-N 122.647 8.842 F28H-N 126.343 8.436 N29H-N 123.985 8.858 D30H-N 122.099 8.603 D31H-N 122.153 8.375 K32H-N 120.521 8.671 V33H-N 120.174 9.392 I34H-N 124.398 9.698 V35H-N 131.025 8.893 V36H-N 125.566 8.52 N37H-N 122.961 7.815 H38H-N 121.641 8.363 G39H-N 117.252 8.696 G40H-N 107.828 8.871 S41H-N 116.059 7.744 L42H-N 127.538 8.27 T43H-N 115.653 8.884 A44H-N 121.6 8.805 V45H-N 113.866 8.052 S46H-N 114.413 8.994 A47H-N 123.089 9.118 I48H-N 119.303 7.597 T50H-N 111.9 9.558 H51H-N 119.937 9.248 L55H-N 120.263 8.296 V56H-N 116.286 7.911 H57H-N 111.289 8.139 W58H-N 119.853 8.82 W58HE1-NE1 128.892 10.903 D59H-N 130.859 8.21 E60H-N 125.15 8.047 A61H-N 120.068 7.976 A62H-N 118.27 7.242 D63H-N 120.383 7.742 M64H-N 113.046 6.582 I65H-N 121.049 8.903 A66H-N 132.206 8.749 D77H-N 108.694 7.833 G78H-N 108.117 8.422 K79H-N 118.44 7.982 I80H-N 120.805 8.697 I81H-N 128.38 8.515 S82H-N 110.489 7.716 G83H-N 108.016 8.418 L87H-N 118.679 6.848 L89H-N 120.696 8.897 K90H-N 124.28 8.584 Q91H-N 122.638 8.337 Y92H-N 123.275 8.677 K93H-N 121.297 8.711 V94H-N 119.45 8.377 K95H-N 124.42 8.41 I96H-N 119.994 8.381 E97H-N 128.455 9.076 G99H-N 101.66 8.433 K100H-N 121.314 8.001 I101H-N 121.111 8.772 V102H-N 129.107 9.055 V103H-N 130.047 8.543 S104H-N 117.878 9.065 I105H-N 119.086 8.183 A106H-N 128.894 8.611 L108H-N 124.703 8.329 A109H-N 125.517 8.334 A111H-N 123.083 8.204 L112H-N 120.913 8.123 E113H-N 121.177 8.273