Assignment w1 w2 L6H-N 122.824 8.432 E7H-N 114.524 8.234 T8H-N 109.582 7.487 Y9H-N 121.52 7.545 E10H-N 123.328 9.175 W11H-N 108.605 6.194 Y12H-N 123.271 7.481 N13H-N 128.815 8.732 N13HD21-ND2 114.432 6.712 N13HD22-ND2 114.432 7.987 K14H-N 122.47 7.494 S15H-N 115.97 8.417 I16H-N 120.782 7.56 S17H-N 122.475 8.182 R18H-N 122.788 9.044 D19H-N 116.206 8.475 K20H-N 121.83 7.683 A21H-N 122.725 8.666 E22H-N 114.939 8.392 K23H-N 118.995 7.578 L24H-N 118.515 8.189 L25H-N 119.539 8.182 L26H-N 123.046 8.985 D27H-N 118.277 8.245 T28H-N 113.622 7.386 G29H-N 106.083 7.186 K30H-N 117.839 6.25 E31H-N 125.527 8.795 G32H-N 115.223 9.05 A33H-N 127.028 8.651 F34H-N 120.805 9.026 M35H-N 112.09 8.818 V36H-N 121.207 9.422 R37H-N 124.866 9.613 R37HE-NE 117.931 7.175 D38H-N 123.08 9.029 S39H-N 118.75 8.205 R40H-N 123.767 8.973 T41H-N 118.781 8.133 G43H-N 111.952 8.599 T44H-N 111.626 7.466 Y45H-N 123.005 9.675 T46H-N 118.968 9.378 V47H-N 126.812 9.513 S48H-N 126.735 9.129 V49H-N 123.125 9.103 F50H-N 129.084 9.087 T51H-N 122.526 8.526 K52H-N 130.998 10.254 A53H-N 123.289 8.804 I54H-N 122.495 8.887 I55H-N 127.429 8.224 S56H-N 112.54 7.786 E57H-N 124.958 7.43 N58H-N 122.311 8.167 N58HD21-ND2 108.929 7.202 N58HD22-ND2 108.929 6.516 C60H-N 114.534 8.313 I61H-N 122.807 8.303 K62H-N 126.558 8.743 H63H-N 121.558 8.248 Y64H-N 124.018 9.835 H65H-N 126.041 9.125 I66H-N 125.827 8.856 K67H-N 132.536 8.802 E68H-N 116.557 8.013 T69H-N 114.05 8.686 N70H-N 115.729 8.468 N70HD21-ND2 113.133 7.598 N70HD22-ND2 113.133 6.929 D71H-N 117.886 7.261 S72H-N 113.722 8.23 K74H-N 120.087 8.196 R75H-N 120.291 7.415 R75HE-NE 121.485 6.947 Y76H-N 116.099 8.933 Y77H-N 116.974 8.965 V78H-N 115.356 10.031 A79H-N 129.014 9.44 E80H-N 122.339 8.86 K81H-N 114.465 7.865 Y82H-N 121.755 7.944 V83H-N 121.502 7.246 F84H-N 121.856 9.413 D85H-N 118.744 9.267 S86H-N 111.099 7.737 I87H-N 121.301 9.047 L89H-N 117.124 7.339 L90H-N 124.874 7.264 I91H-N 120.025 8.014 Q92H-N 117.513 7.88 Q92HE21-NE2 111.556 7.489 Q92HE22-NE2 111.556 6.889 Y93H-N 119.438 7.684 H94H-N 117.591 7.761 Q95H-N 120.206 7.869 Q95HE21-NE2 109.665 7.019 Q95HE22-NE2 109.665 6.885 Y96H-N 116.084 6.98 N97H-N 118.805 7.71 N97HD21-ND2 117.831 6.96 N97HD22-ND2 117.831 6.86 G98H-N 110.777 8.778 G99H-N 108.496 8.245 G100H-N 107.277 8.352 L101H-N 120.002 7.728 V102H-N 115.555 7.532 T103H-N 113.591 7.097 R104H-N 120.281 7.399 L105H-N 120.774 7.503 R106H-N 123.298 8.405 Y107H-N 118.52 7.73 V109H-N 125.508 8.31 C110H-N 125.047 8.324 G111H-N 113.03 8.611 S112H-N 117.006 8.091 G114H-N 109.559 8.461 I115H-N 119.987 7.832 H116H-N 124.354 8.42 R117H-N 124.475 8.214 D118H-N 127.786 8.025 L6H-N 122.908 8.427 E7H-N 114.635 8.238 T8H-N 109.689 7.496 Y9H-N 121.567 7.541 E10H-N 123.412 9.186 W11H-N 108.784 6.194 Y12H-N 123.343 7.48 N13H-N 128.944 8.748 N13HD21-ND2 114.432 6.712 N13HD22-ND2 114.432 7.987 K14H-N 122.424 7.491 S15H-N 116.004 8.42 I16H-N 120.98 7.566 S17H-N 122.388 8.167 R18H-N 123.092 9.063 D19H-N 116.221 8.476 K20H-N 121.947 7.685 A21H-N 122.859 8.685 E22H-N 115.03 8.388 K23H-N 119.065 7.564 L24H-N 118.529 8.172 L25H-N 118.942 8.173 L26H-N 123.171 8.993 D27H-N 118.616 8.26 T28H-N 112.682 7.438 G29H-N 106.46 7.256 K30H-N 118.688 6.482 E31H-N 125.554 8.642 G32H-N 114.739 9.113 A33H-N 127.198 8.597 F34H-N 120.909 9.028 M35H-N 112.227 8.816 V36H-N 121.276 9.43 R37H-N 125.012 9.624 R37HE-NE 117.931 7.175 D38H-N 123.201 9.006 S39H-N 118.73 8.204 R40H-N 124.032 9.052 T41H-N 118.972 8.158 G43H-N 111.99 8.595 T44H-N 111.78 7.471 Y45H-N 123.208 9.683 T46H-N 118.956 9.401 V47H-N 126.88 9.519 S48H-N 126.803 9.121 V49H-N 122.86 9.119 F50H-N 129.375 9.147 T51H-N 123.936 8.424 K52H-N 125.533 9.392 A53H-N 127.226 8.587 I54H-N 119.897 7.974 I55H-N 121.778 8.185 S56H-N 117.268 8.117 E57H-N 119.281 8.109 N58H-N 118.816 8.053 N58HD21-ND2 113.636 7.53 N58HD22-ND2 113.636 7.023 C60H-N 119.723 8.565 I61H-N 123.605 8.495 K62H-N 127.668 8.77 H63H-N 121.636 8.258 Y64H-N 124.132 9.857 H65H-N 126.262 9.084 I66H-N 125.928 8.867 K67H-N 132.532 8.785 E68H-N 116.634 8.014 T69H-N 114.13 8.681 N70H-N 115.729 8.468 N70HD21-ND2 113.133 7.598 N70HD22-ND2 113.133 6.929 D71H-N 117.988 7.259 S72H-N 113.772 8.236 K74H-N 120.159 8.196 R75H-N 120.358 7.421 R75HE-NE 121.485 6.947 Y76H-N 116.189 8.954 Y77H-N 117.064 8.961 V78H-N 115.378 10.035 A79H-N 129.091 9.447 E80H-N 122.324 8.846 K81H-N 114.546 7.88 Y82H-N 121.908 7.949 V83H-N 121.568 7.266 F84H-N 121.937 9.429 D85H-N 118.796 9.272 S86H-N 111.209 7.745 I87H-N 121.468 9.047 L89H-N 117.231 7.34 L90H-N 124.979 7.26 I91H-N 120.063 8.018 Q92H-N 117.57 7.888 Q92HE21-NE2 111.556 7.489 Q92HE22-NE2 111.556 6.889 Y93H-N 119.511 7.695 H94H-N 117.698 7.742 Q95H-N 120.255 7.867 Q95HE21-NE2 109.59 7.049 Q95HE22-NE2 109.59 6.872 Y96H-N 116.202 6.982 N97H-N 118.757 7.714 N97HD21-ND2 117.731 6.815 G98H-N 110.666 8.739 G99H-N 108.377 8.262 G100H-N 107.671 8.354 L101H-N 120.599 7.771 V102H-N 116.052 7.568 T103H-N 115.006 7.188 R104H-N 120.968 7.521 L105H-N 121.475 7.534 R106H-N 123.056 8.324 Y107H-N 118.441 7.678 V109H-N 125.63 8.314 C110H-N 125.086 8.318 G111H-N 113.131 8.608 S112H-N 117.132 8.105 G114H-N 109.664 8.457 I115H-N 120.026 7.828 H116H-N 124.554 8.385 R117H-N 124.39 8.169 D118H-N 127.859 8.013