Assignment w1 w2 R3H-N 123.101 8.453 A4H-N 125.283 8.318 S5H-N 114.759 8.219 C6H-N 120.211 8.248 M7H-N 121.949 8.293 Q8H-N 121.242 8.302 Q8HE21-NE2 112.295 6.769 Q8HE22-NE2 112.295 7.531 M9H-N 121.434 8.373 D10H-N 120.609 8.279 D11H-N 119.765 8.196 V12H-N 119.536 7.912 I13H-N 122.29 8.008 D14H-N 122.674 8.116 D15H-N 119.855 8.107 I16H-N 120.104 8.044 I17H-N 120.611 7.92 S18H-N 117.183 8.051 L19H-N 123.708 8.043 E20H-N 119.114 8.276 S21H-N 113.975 7.963 S22H-N 116.34 7.977 Y23H-N 122.094 7.974 N24H-N 121.755 7.974 N24HD21-ND2 112.05 6.886 N24HD22-ND2 112.05 7.531 E25H-N 121.661 8.41 E26H-N 120.076 8.246 I27H-N 118.859 7.705 G29H-N 106.458 7.9 L30H-N 119.891 7.697 M31H-N 118.12 7.949 D32H-N 122.271 8.045 A34H-N 129.771 7.876 A3H-N 126.058 8.5 T4H-N 112.982 8.058 Q5H-N 122.61 8.269 Q5HE21-NE2 111.896 6.765 Q5HE22-NE2 111.896 7.489 S6H-N 119.075 8.53 G8H-N 108.102 8.416 D9H-N 121.149 8.058 S10H-N 116.655 8.331 R11H-N 123.077 8.287 R12H-N 119.411 7.996 L13H-N 120.083 8.04 S14H-N 115.879 8.049 I15H-N 123.229 8.039 Q16H-N 118.893 8.047 Q16HE21-NE2 110.645 7.355 Q16HE22-NE2 110.645 6.762 R17H-N 118.941 8.228 A18H-N 124.089 8.045 I19H-N 118.065 8.463 Q20H-N 118.537 8.123 Q20HE21-NE2 111.067 6.82 Q20HE22-NE2 111.067 7.457 S21H-N 116.118 8.23 L22H-N 125.351 8.266 V23H-N 118.374 8.431 H24H-N 115.759 7.907 A25H-N 121.209 8.626 A26H-N 116.383 8.168 Q27H-N 111.875 7.185 Q27HE21-NE2 112.022 6.914 Q27HE22-NE2 112.022 7.304 C28H-N 124.221 7.27 R29H-N 129.426 8.814 N30H-N 120.365 7.884 N30HD21-ND2 111.415 7.802 N30HD22-ND2 111.415 6.992 A31H-N 130.176 9.08 N32H-N 114.053 8.029 N32HD21-ND2 112.877 6.862 N32HD22-ND2 112.877 7.584 C33H-N 122.935 7.124 S34H-N 124.096 8.702 L35H-N 128.48 8.478 S37H-N 111.714 8.325 C38H-N 125.525 7.489 Q39H-N 115.776 8.15 Q39HE21-NE2 111.479 6.851 Q39HE22-NE2 111.479 7.507 K40H-N 116.978 7.9 M41H-N 118.148 8.289 K42H-N 121.697 9.435 R43H-N 118.006 7.52 V44H-N 121.318 7.615 V45H-N 120.45 8.449 Q46H-N 119.243 8.32 Q46HE21-NE2 111.501 7.426 Q46HE22-NE2 111.501 6.85 H47H-N 119.017 8.102 T48H-N 110.209 7.815 K49H-N 120.148 7.302 G50H-N 103.842 7.117 C51H-N 123.188 6.888 K52H-N 128.05 8.946 R53H-N 122.286 8.483 K54H-N 118.598 8.432 T55H-N 112.85 7.713 N56H-N 119.486 8.244 N56HD21-ND2 111.975 7.566 N56HD22-ND2 111.975 6.797 G57H-N 107.189 7.915 G58H-N 106.909 7.754 C59H-N 122.348 7.976 I61H-N 120.91 7.802 C62H-N 123.794 8.875 K63H-N 116.775 8.006 Q64H-N 117.594 7.301 Q64HE21-NE2 110.794 7.233 Q64HE22-NE2 110.794 6.956 L65H-N 120.006 8.048 I66H-N 120.27 8.452 A67H-N 122.238 7.259 L68H-N 117.675 7.773 A69H-N 121.426 8.819 A70H-N 119.893 8.532 Y71H-N 118.227 7.61 H72H-N 118.871 8.07 A73H-N 121.677 9.159 K74H-N 114.407 6.943 H75H-N 113.035 7.112 C76H-N 123.468 6.982 Q77H-N 128.474 9.039 Q77HE21-NE2 112.056 7.349 Q77HE22-NE2 112.056 6.735 E78H-N 122.86 8.238 N79H-N 125.215 8.818 N79HD21-ND2 112.295 7.56 N79HD22-ND2 112.295 6.918 K80H-N 120.576 8.67 C81H-N 123.874 6.947 V83H-N 127.734 9.009 F85H-N 111.3 7.897 C86H-N 124.262 7.784 L87H-N 115.181 8.098 N88H-N 115.064 7.68 N88HD21-ND2 111.446 7.684 N88HD22-ND2 111.446 6.954 I89H-N 120.018 8.152 K90H-N 119.635 8.141 Q91H-N 118.683 7.782 Q91HE21-NE2 111.846 7.501 Q91HE22-NE2 111.846 6.774 K92H-N 127.148 7.686