Assignment w1 w2 D2H-N 122.533 8.755 L3H-N 123.232 8.547 A4H-N 123.475 8.486 C5H-N 117.306 8.287 R6H-N 122.776 8.386 R6HE-NE 84.706 7.41 L7H-N 122.096 8.365 L8H-N 121.898 8.298 G9H-N 109.198 8.488 Q10H-N 119.707 8.306 Q10HE21-NE2 112.502 7.731 Q10HE22-NE2 112.502 7.012 S11H-N 117.196 8.585 M12H-N 122.351 8.625 D13H-N 121.239 8.476 E14H-N 121.678 8.657 S15H-N 116.713 8.597 G16H-N 110.263 8.524 L17H-N 124.353 8.209 Q19H-N 121.741 8.708 Q19HE21-NE2 112.55 7.789 Q19HE22-NE2 112.55 7.049 L20H-N 128.56 9.408 T21H-N 113.007 9.441 S22H-N 117.449 9.316 Y23H-N 122.071 8.351 D24H-N 117.697 8.154 C25H-N 118.03 7.804 E26H-N 122.531 8.753 V27H-N 113.577 7.812 N28H-N 113.404 7.225 N28HD21-ND2 116.29 8.13 N28HD22-ND2 116.29 7.802 A29H-N 123.316 8.332 I31H-N 122.816 9.174 Q32H-N 127.096 8.77 Q32HE21-NE2 113.523 7.71 Q32HE22-NE2 113.523 7.289 G33H-N 110.62 8.677 S34H-N 116.1 8.525 R35H-N 119.818 8.032 R35HE-NE 85.176 7.321 N36H-N 117.282 8.228 N36HD21-ND2 113.08 7.75 N36HD22-ND2 113.08 7.129 L37H-N 121.1 8.253 L38H-N 124.015 8.13 Q39H-N 116.111 8.712 Q39HE21-NE2 111.885 7.533 Q39HE22-NE2 111.885 6.935 G40H-N 109.939 9.126 E41H-N 124.249 9.231 E42H-N 117.688 8.251 L43H-N 118.856 7.531 L44H-N 115.146 6.843 R45H-N 116.775 8.108 R45HE-NE 84.89 7.788 A46H-N 119.534 7.632 L47H-N 115.726 7.364 D48H-N 118.631 7.771 Q49H-N 119.712 8.101 Q49HE21-NE2 112.567 7.762 Q49HE22-NE2 112.567 7.059 V50H-N 120.777 8.316 N51H-N 127.632 8.217 N51HD21-ND2 112.848 7.571 N51HD22-ND2 112.848 6.939 E4H-N 119.307 8.521 K5H-N 119.372 8.036 R6H-N 117.965 8.37 K7H-N 118.854 7.676 L8H-N 118.862 7.697 I9H-N 122.184 8.442 Q10H-N 119.058 8.369 Q10HE21-NE2 111.12 7.923 Q10HE22-NE2 111.12 6.782 Q11H-N 116.856 8.413 Q11HE21-NE2 111.201 8.028 Q11HE22-NE2 111.201 7.087 Q12H-N 121.548 8.413 Q12HE21-NE2 111.56 7.857 Q12HE22-NE2 111.56 6.964 L13H-N 120.516 8.558 V14H-N 118.31 8.471 L15H-N 121.014 8.022 L16H-N 122.814 8.652 L17H-N 118.31 8.443 H18H-N 117.34 8.465 A19H-N 122.224 9.384 H20H-N 116.122 8.192 K21H-N 118.1 7.264 C22H-N 124.105 8.87 Q23H-N 120.417 8.514 Q23HE21-NE2 111.033 7.657 Q23HE22-NE2 111.033 7.04 R24H-N 119.733 7.837 R25H-N 120.309 8.116 E26H-N 121.1 8.414 Q27H-N 118.982 8.242 Q27HE21-NE2 111.913 7.685 Q27HE22-NE2 111.913 6.996 A28H-N 123.858 8.055 N29H-N 122.373 8.077 G30H-N 114.2 8.554 E31H-N 120.053 8.578 V32H-N 121.707 8.152 R33H-N 126.089 8.59 A34H-N 126.314 8.552 C35H-N 124.864 8.723 T42H-N 114.99 7.886 M43H-N 120.134 8.241 K44H-N 122.808 9.366 N45H-N 117.603 8.162 N45HD21-ND2 112.453 7.955 N45HD22-ND2 112.453 7.143 V46H-N 123.794 8.355 L47H-N 121.847 8.859 N48H-N 116.125 8.258 N48HD21-ND2 112.768 7.927 N48HD22-ND2 112.768 7.389 H49H-N 118.88 8.051 M50H-N 119.893 9.595 T51H-N 110.037 7.987 H52H-N 115.951 7.166 C53H-N 123.965 7.186 Q54H-N 129.242 9.294 Q54HE21-NE2 112.27 7.621 Q54HE22-NE2 112.27 7.002 A55H-N 125.272 8.921 G56H-N 107.778 8.234 K57H-N 125.941 9.272 A58H-N 119.343 7.799 C59H-N 122.098 7.581 Q60H-N 129.797 9.271 Q60HE21-NE2 113.432 7.609 Q60HE22-NE2 113.432 7.015 V61H-N 127.947 9.466 A62H-N 134.534 8.829 H63H-N 110.451 8.161 C64H-N 126.924 8.233 A65H-N 119.36 9.002 S66H-N 114.757 9.253 S67H-N 120.391 7.945 R68H-N 124.093 9.197 Q69H-N 122.178 8.403 Q69HE21-NE2 109.366 7.075 Q69HE22-NE2 109.366 6.975 I70H-N 121.128 8.871 I71H-N 119.998 9.15 S72H-N 114.98 7.986 H73H-N 122.022 8.756 W74H-N 121.785 8.693 W74HE1-NE1 128.626 10.077 K75H-N 116.975 8.544 N76H-N 113.12 7.084 N76HD21-ND2 114.713 7.722 N76HD22-ND2 114.713 7.53 C77H-N 123.165 7.513 T78H-N 119.217 8.641 D81H-N 117.052 8.244 C82H-N 122.739 7.213 V84H-N 120.678 8.712 C85H-N 118.514 8.581 L86H-N 119.4 8.042 L88H-N 116.633 7.772 K89H-N 120.15 8.098 N90H-N 118.669 8.539 N90HD21-ND2 112.658 7.787 N90HD22-ND2 112.658 7.083 A91H-N 124.263 8.306 S92H-N 114.581 8.409 D93H-N 122.193 8.451 K94H-N 121.811 8.265 R95H-N 128.032 8.129