Assignment w1 w2 A2H-N 125.175 8.335 S3H-N 115.952 8.776 V4H-N 120.04 7.655 I5H-N 132.438 9.241 D7H-N 110.77 7.137 V8H-N 119.477 8.743 A9H-N 124.462 8.262 T10H-N 117.499 8.849 L11H-N 124.15 7.564 N12H-N 117.074 8.624 N12HD21-ND2 110.255 6.651 N12HD22-ND2 110.255 7.504 S13H-N 116.944 8.16 L14H-N 122.439 8.582 F15H-N 119.325 8.752 N16H-N 117.423 8.244 N16HD21-ND2 112.661 7.074 N16HD22-ND2 112.661 7.672 Q17H-N 119.177 8.39 Q17HE21-NE2 110.537 7.008 Q17HE22-NE2 110.537 7.046 I18H-N 119.371 7.985 K19H-N 120.221 8.498 N20H-N 118.888 8.462 N20HD21-ND2 108.498 6.839 N20HD22-ND2 108.498 7.594 Q21H-N 115.289 7.614 Q21HE21-NE2 115.123 7.173 Q21HE22-NE2 115.123 8.004 S22H-N 116.333 7.855 C23H-N 123.752 9.036 G24H-N 112.066 9.66 T25H-N 110.906 7.703 S26H-N 117.961 9.25 T27H-N 108.083 7.434 A28H-N 125.04 7.048 S29H-N 119.709 9.33 S30H-N 112.9 8.129 C32H-N 119.924 7.96 I33H-N 115.216 9.133 T34H-N 122.728 6.598 F35H-N 124.114 8.447 R36H-N 110.117 8.559 R36HH11-NH1 67.855 6.747 R36HH12-NH1 67.855 6.747 R36HH21-NH2 73.309 7.147 R36HH22-NH2 73.309 7.147 R36HE-NE 84.94 7.989 Y37H-N 123.732 8.082 V39H-N 120.189 5.771 D40H-N 110.52 6.5 G41H-N 106.614 11.293 Y43H-N 122.797 7.323 A44H-N 128.974 5.633 R45H-N 114.197 7.92 R45HE-NE 80.612 8.997 A46H-N 117.04 8.323 H47H-N 121.093 7.999 H47HE2-ND1 164.497 10.747 K48H-N 118.92 8.322 M49H-N 116.286 8.246 R50H-N 116.748 7.931 R50HE-NE 89.856 9.546 Q51H-N 120.653 7.654 Q51HE21-NE2 113.596 7.113 Q51HE22-NE2 113.596 7.708 I52H-N 118.642 7.617 L53H-N 122.29 7.682 M54H-N 122.357 9.012 N55H-N 121.275 8.848 N55HD21-ND2 109.348 6.762 N55HD22-ND2 109.348 7.731 N56H-N 116.039 7.851 G57H-N 105.504 7.962 Y58H-N 121.795 8.38 D59H-N 117.826 8.169 C60H-N 112.028 10.009 E61H-N 114.481 7.784 K62H-N 119.276 8.861 K62HZ1-NZ 35.904 8.937 K62HZ2-NZ 35.904 8.937 K62HZ3-NZ 35.904 8.937 Q63H-N 117.946 7.444 Q63HE21-NE2 107.23 7.362 Q63HE22-NE2 107.23 8.578 F64H-N 123.93 9.403 V65H-N 120.983 9.238 Y66H-N 122.816 9.029 G67H-N 108.175 8.502 N68H-N 123.546 8.377 N68HD21-ND2 111.744 6.61 N68HD22-ND2 111.744 7.704 L69H-N 117.977 8.07 K70H-N 121.728 8.337 A71H-N 121.516 7.91 S72H-N 111.54 8.615 T73H-N 116.353 8.834 G74H-N 112.447 8.848 T75H-N 110.53 8.007 C76H-N 117.468 7.836 C77H-N 118.12 8.563 V78H-N 114.068 8.8 A79H-N 122.525 7.681 W80H-N 120.774 8.386 W80HE1-NE1 127.704 9.558 S81H-N 114.166 9.376 Y82H-N 119.118 7.871 H83H-N 118.992 9.26 V84H-N 120.496 6.54 A85H-N 124.159 7.514 I86H-N 106.157 6.347 L87H-N 126.201 8.518 V88H-N 124.991 9.594 S89H-N 118.439 8.724 Y90H-N 121.924 9.436 K91H-N 118.609 7.376 N92H-N 121.819 8.536 N92HD21-ND2 112.365 6.87 N92HD22-ND2 112.365 8.418 A93H-N 120.349 8.532 S94H-N 112.225 8.07 G95H-N 108.941 8.296 V96H-N 123.251 7.66 T97H-N 123.374 8.614 E98H-N 129.576 9.035 K99H-N 115.008 8.373 R100H-N 120.986 9.056 I101H-N 122.799 9.409 I102H-N 123.819 7.828 D103H-N 117.813 9.211 S105H-N 112.075 8.047 L106H-N 119.246 6.966 F107H-N 118.149 8.678 S108H-N 118.799 8.99 S109H-N 114.125 8.648 G110H-N 108.258 6.75 V112H-N 115.838 8.776 T113H-N 114.028 8.511 D114H-N 121.518 9.453 T115H-N 115.264 7.811 A116H-N 124.939 7.662 W117H-N 120.934 8.38 W117HE1-NE1 131.209 11.747 R118H-N 116.397 8.861 R118HH11-NH1 69.404 6.389 R118HH12-NH1 69.404 6.389 R118HE-NE 80.269 7.346 N119H-N 115.301 7.849 N119HD21-ND2 112.366 6.982 N119HD22-ND2 112.366 7.715 A120H-N 123.242 7.814 C121H-N 111.524 7.088 V122H-N 115.849 7.146 N123H-N 119.642 8.085 N123HD21-ND2 113.722 7.355 N123HD22-ND2 113.722 8.183 T124H-N 116.788 8.218 S125H-N 119.562 8.612 C126H-N 117.726 7.846 G127H-N 108.244 7.316 S128H-N 113.49 8.228 A129H-N 124.623 7.986 S130H-N 112.884 8.918 V131H-N 122.062 8.707 S132H-N 123.672 10.146 S133H-N 113.478 8.204 Y134H-N 113.743 8.244 A135H-N 123.111 9.894 N136H-N 120.914 8.879 N136HD21-ND2 108.093 6.655 N136HD22-ND2 108.093 7.446 T137H-N 112.529 9.665 A138H-N 121.228 8.634 G139H-N 111.281 8.825 N140H-N 111.382 8.138 N140HD21-ND2 111.457 6.776 N140HD22-ND2 111.457 7.701 V141H-N 122.433 7.486 Y142H-N 130.928 8.532 Y143H-N 114.396 7.461 S145H-N 126.78 8.722 S147H-N 109.206 7.252 N148H-N 117.823 8.139 N148HD21-ND2 111.834 6.894 N148HD22-ND2 111.834 7.571 S149H-N 111.602 7.199 Y150H-N 123.023 8.663 L151H-N 121.455 8.642 Y152H-N 121.282 8.614 D153H-N 120.629 9.082 N154H-N 121.029 9.454 N154HD21-ND2 113.727 7.029 N154HD22-ND2 113.727 7.863 N155H-N 115.864 9.147 N155HD21-ND2 114.281 7.053 N155HD22-ND2 114.281 7.956 L156H-N 116.249 7.707 I157H-N 119.358 7.629 N158H-N 126.392 10.12 N158HD21-ND2 114.036 6.658 N158HD22-ND2 114.036 6.739 T159H-N 120.099 10.057 N160H-N 116.63 8.273 N160HD21-ND2 110.773 7.111 N160HD22-ND2 110.773 7.348 C161H-N 123.113 7.612 V162H-N 124.487 8.958 L163H-N 114.605 8.276 T164H-N 116.683 8.043 K165H-N 122.599 8.066 F166H-N 116.457 7.769 S167H-N 115.788 7.488 L168H-N 118.63 8.651 L169H-N 120.385 7.615 S170H-N 112.153 8.83 G171H-N 109.933 9.138 C172H-N 113.75 8.469 S173H-N 114.035 7.732 S175H-N 117.276 8.509 A177H-N 122.667 8.873 D179H-N 119.909 8.265 V180H-N 118.757 8.851 S181H-N 122.249 9.029 S182H-N 114.397 8.143 C183H-N 121.543 7.779 G184H-N 111.673 8.527 F185H-N 120.069 7.712