Assignment w1 w2 S3H-N 117.201 8.381 R5H-N 121.649 8.428 I6H-N 122.5 8.165 K7H-N 126.237 8.5 T8H-N 116.495 8.194 R9H-N 124.128 8.458 R10H-N 123.384 8.526 S11H-N 118.446 8.45 K12H-N 124.117 8.426 A14H-N 124.42 7.89 D16H-N 119.535 8.206 G17H-N 113.273 8.723 F18H-N 123.113 8.127 E19H-N 115.695 9.088 K20H-N 115.887 7.285 I21H-N 110.277 7.031 K22H-N 124.54 7.666 T24H-N 114.917 7.331 L25H-N 120.152 7.991 T26H-N 119.365 9.175 D27H-N 122.865 7.714 F28H-N 116.182 7.816 E29H-N 120.107 8.068 I30H-N 121.494 8.531 Q31H-N 118.941 8.117 Q31HE21-NE2 110.959 6.581 Q31HE22-NE2 110.959 7.171 L32H-N 121.724 8.677 R33H-N 120.629 8.227 D34H-N 120.233 8.407 A35H-N 121.939 8.057 Q36H-N 114.736 7.746 Q36HE21-NE2 111.018 6.941 Q36HE22-NE2 111.018 7.292 K37H-N 120.534 7.57 D38H-N 120.943 8.375 K39H-N 122.598 8.446 S40H-N 115.849 8.392 S41H-N 117.258 8.283 K42H-N 122.427 8.263 L43H-N 121.281 8.068 A44H-N 123.964 8.111 A45H-N 122.146 8.101 K46H-N 119.454 8.198 S47H-N 116.66 8.251 N48H-N 120.516 8.498 N48HD21-ND2 112.581 6.956 N48HD22-ND2 112.581 7.391 E49H-N 117.964 8.016 Q50H-N 119.468 7.892 Q50HE21-NE2 112.178 6.896 Q50HE22-NE2 112.178 7.682 L51H-N 120.145 7.699 W52H-N 119.596 8.385 W52HE1-NE1 126.465 9.148 E53H-N 119.362 8.223 I54H-N 119.018 7.801 M55H-N 118.133 8.411 Q56H-N 120.855 8.86 Q56HE21-NE2 110.893 6.745 Q56HE22-NE2 110.893 7.602 L57H-N 122.788 8.298 H58H-N 118.426 8.416 H59H-N 121.197 8.608 Q60H-N 118.739 9.206 Q60HE21-NE2 111.256 6.994 Q60HE22-NE2 111.256 7.542 R61H-N 122.498 8.623 S62H-N 114.93 7.993 R63H-N 124.417 9.569 Y64H-N 124.484 8.622 I65H-N 119.789 7.588 Y66H-N 120.485 9.166 T67H-N 117.072 8.987 L68H-N 122.107 8.286 Y69H-N 115.264 7.983 Y70H-N 113.945 8.297 K71H-N 114.346 7.084 R72H-N 114.676 8.178 K73H-N 115.371 6.843 A74H-N 117.701 8.56 I75H-N 107.605 7.074 S76H-N 118.425 8.797 K77H-N 121.891 9.024 D78H-N 115.908 8.161 L79H-N 121.705 8.345 Y80H-N 121.511 8.598 D81H-N 117.189 9.106 W82H-N 123.4 7.931 W82HE1-NE1 129.199 9.858 L83H-N 119.674 8.814 I84H-N 118.746 7.886 K85H-N 124.819 8.224 E86H-N 115.404 8.138 K87H-N 111.563 7.719 Y88H-N 116.916 8.521 A89H-N 113.715 6.959 D90H-N 119.344 7.87 K91H-N 125.312 8.467 L92H-N 119.899 8.076 L93H-N 123.148 7.12 I94H-N 116.78 7.384 A95H-N 117.061 7.437 K96H-N 116.036 7.012 W97H-N 118.7 7.611 W97HE1-NE1 130.138 11.318 R98H-N 113.031 7.066 K99H-N 123.252 8.467 T100H-N 119.993 8.329 G101H-N 116.645 9.273 Y102H-N 120.784 8.457 E103H-N 119.482 9.836 K104H-N 115.179 8.291 L105H-N 119.637 7.642 C106H-N 129.651 8.638 C107H-N 120.206 8.158 L108H-N 115.513 8.466 R109H-N 122.711 8.131 C110H-N 119.055 8.01 I111H-N 107.315 7.105 Q112H-N 122.468 7.156 Q112HE21-NE2 111.684 6.821 Q112HE22-NE2 111.684 7.437 K113H-N 124.65 8.522 N114H-N 120.972 8.36 N114HD21-ND2 113.563 6.904 N114HD22-ND2 113.563 7.668 E115H-N 121.71 9.023 T116H-N 112.186 8.112 N117H-N 119.112 8.047 N117HD21-ND2 112.198 6.851 N117HD22-ND2 112.198 7.665 N118H-N 117.175 8.364 N118HD21-ND2 112.7 6.912 N118HD22-ND2 112.7 7.608 G119H-N 107.294 8.264 S120H-N 115.475 7.905 T121H-N 111.36 8.044 C122H-N 122.708 8.045 I123H-N 132.463 8.237 C124H-N 123.931 9.355 R125H-N 119.561 7.677 V126H-N 122.794 7.578 R128H-N 128.35 9.534 A129H-N 119.169 9.263 Q130H-N 117.345 7.448 Q130HE21-NE2 111.737 6.786 Q130HE22-NE2 111.737 7.711 L131H-N 120.561 7.622 E132H-N 119.122 8.656 E133H-N 121.469 7.922 E134H-N 119.241 8.099 A135H-N 121.302 7.795 R136H-N 118.757 8.145 K137H-N 119.496 8.036 K138H-N 116.645 7.682 G139H-N 109.349 8.064 T140H-N 112.87 8.111 Q141H-N 118.177 8.227 Q141HE21-NE2 112.824 6.874 Q141HE22-NE2 112.824 7.558 V142H-N 123.601 8.839 F144H-N 123.726 7.534 H145H-N 126.548 8.308 Q146H-N 115.094 7.203 Q146HE21-NE2 113.061 7.08 Q146HE22-NE2 113.061 7.673 C147H-N 123.088 8.668 V148H-N 113.265 8.198 H149H-N 120.556 7.151 C150H-N 112.11 7.413 G151H-N 112.797 6.949 C152H-N 127.277 8.24 R153H-N 125.476 8.492 G154H-N 117.275 9.812 C155H-N 126.187 8.93 A156H-N 125.869 8.616 S157H-N 116.724 9.358 T158H-N 111.893 7.638 D159H-N 127.814 7.734