Assignment w1 w2 S1H-N 116.621 8.254 R2H-N 122.298 8.474 R2HE-NE 115.55 7.414 Y3H-N 121.022 8.497 L4H-N 128.23 8.837 T5H-N 112.233 8.429 D6H-N 124.517 8.482 M7H-N 116.639 8.832 T8H-N 113.205 8.902 L9H-N 121.042 8.636 E10H-N 120.477 8.458 E11H-N 119.426 7.681 M12H-N 113.874 7.877 S13H-N 110.312 7.584 R14H-N 124.808 7.402 D15H-N 124.493 8.65 W16H-N 118.599 8.239 W16HE1-NE1 129.049 9.523 F17H-N 119.339 8.496 M18H-N 119.888 8.127 L19H-N 127.061 9.566 M20H-N 119.224 8.856 K22H-N 123.397 8.336 Q23H-N 125.822 8.754 Q23HE21-NE2 111.817 6.831 Q23HE22-NE2 111.817 7.28 K24H-N 125.697 9.319 V25H-N 123.048 8.599 A26H-N 131.503 8.789 G27H-N 114.885 8.856 S28H-N 116.077 8.305 L29H-N 120.232 7.921 C30H-N 121.385 9.12 I31H-N 129.706 9.385 R32H-N 126.238 9.416 R32HE-NE 114.531 7.13 M33H-N 116.964 8.751 D34H-N 119.49 8.078 Q35H-N 126.124 9.259 Q35HE21-NE2 111.6 7.051 Q35HE22-NE2 111.6 7.077 A36H-N 119.662 8.557 I37H-N 116.962 6.701 M38H-N 128.034 8.478 D39H-N 113.734 6.879 K40H-N 117.814 9.377 N41H-N 119.723 8.614 N41HD21-ND2 113.607 7.699 N41HD22-ND2 113.607 6.857 I42H-N 125.383 9.084 I43H-N 126.961 9.447 L44H-N 125.596 8.567 K45H-N 120.784 8.908 A46H-N 123.404 10.496 N47H-N 117.922 8.748 N47HD21-ND2 110.129 7.322 N47HD22-ND2 110.129 7.312 F48H-N 121.081 9.071 S49H-N 115.15 9.58 V50H-N 118.739 8.703 I51H-N 123.29 8.747 F52H-N 124.225 8.759 R54H-N 118.092 8.252 E56H-N 129.542 9.475 I59H-N 127.38 8.574 L60H-N 114.515 7.769 L61H-N 127.733 8.469 R62H-N 125.339 9.48 A63H-N 124.104 7.758 F64H-N 121.747 9.17 T65H-N 111.678 9.45 E66H-N 122.973 9.199 E67H-N 115.782 8.153 G68H-N 107.975 8.159 A69H-N 122.796 7.397 I70H-N 122.727 8.188 V71H-N 114.589 8.151 G72H-N 106.014 6.742 E73H-N 120.794 9.426 I74H-N 124.053 9.044 S75H-N 119.603 8.97 L77H-N 125.315 8.403 S79H-N 115.806 7.637 L80H-N 122.546 8.281 G82H-N 107.616 8.365 H83H-N 118.328 7.695 T84H-N 110.819 9.287 D85H-N 120.298 9.156 E86H-N 122.111 8.033 D87H-N 119.693 7.755 V88H-N 119.779 7.778 K89H-N 119.923 8.121 N90H-N 117.497 8.326 A91H-N 123.264 8.416 V92H-N 118.813 8.78 G93H-N 106.028 7.92 V94H-N 123.505 7.919 L95H-N 122.424 8.021 I96H-N 117.562 8.947 G97H-N 104.895 8.212 G98H-N 108.361 8.131 L99H-N 121.496 8.185 E100H-N 121.822 9.282 N102H-N 118.004 6.968 N102HD21-ND2 112.188 7.915 N102HD22-ND2 112.188 6.564 D103H-N 111.484 7.78 N104H-N 112.683 7.116 N104HD21-ND2 113.958 7.59 N104HD22-ND2 113.958 6.789 T105H-N 119.031 8.797 V106H-N 127.18 9.36 R107H-N 127.608 9.007 V108H-N 116.672 8.625 S109H-N 120.256 7.91 E110H-N 122.049 9.106 T111H-N 113.107 8.212 L112H-N 123.33 7.925 Q113H-N 119.439 8.524 Q113HE21-NE2 111.73 6.811 Q113HE22-NE2 111.73 7.255 R114H-N 115.665 7.574 F115H-N 113.091 7.61 A116H-N 120.825 8.463 W117H-N 119.121 7.922 W117HE1-NE1 129.354 10.203 R118H-N 121.591 7.801