Assignment w1 w2 D3H-N 122.016 8.404 H4H-N 118.9 8.199 V5H-N 122.148 8.014 D6H-N 124.656 8.44 M7H-N 122.132 8.327 R8H-N 121.0 8.104 T9H-N 117.5 8.084 I10H-N 130.212 9.196 S11H-N 116.625 8.006 F12H-N 116.4 8.184 D13H-N 120.928 8.474 I14H-N 126.638 8.675 Q17H-N 121.8 8.531 E18H-N 123.539 8.471 I19H-N 127.551 9.041 L20H-N 126.5 7.862 T21H-N 116.007 8.95 K22H-N 123.0 8.444 D23H-N 111.031 8.648 S24H-N 110.5 7.9 V25H-N 122.803 8.186 T26H-N 124.898 8.361 I27H-N 120.436 8.965 S28H-N 114.296 8.319 V29H-N 125.5 8.617 D30H-N 125.857 8.273 G31H-N 103.714 7.787 V32H-N 122.085 9.059 V33H-N 124.75 8.11 Y34H-N 123.6 8.477 Y35H-N 123.4 9.828 R36H-N 116.243 9.272 V37H-N 123.893 9.172 Q38H-N 127.465 8.671 Q38HE21-NE2 111.7 6.785 Q38HE22-NE2 111.7 7.263 N39H-N 118.187 8.184 N39HD21-ND2 112.9 6.962 N39HD22-ND2 112.9 7.731 A40H-N 126.161 8.804 T41H-N 112.468 7.963 L42H-N 121.765 7.333 A43H-N 122.33 7.801 V44H-N 115.156 7.612 A45H-N 123.14 7.817 N46H-N 115.325 7.859 N46HD21-ND2 113.0 6.801 N46HD22-ND2 113.0 7.484 I47H-N 120.048 7.772 T48H-N 116.317 7.853 N49H-N 119.914 7.928 N49HD21-ND2 113.2 6.901 N49HD22-ND2 113.2 7.535 A50H-N 125.2 8.405 D51H-N 120.333 8.354 S52H-N 114.489 7.935 A53H-N 123.165 8.007 T54H-N 117.3 7.762 R55H-N 121.8 7.677 L56H-N 120.2 7.665 L57H-N 120.628 8.071 A58H-N 123.956 8.746 Q59H-N 116.508 7.572 Q59HE21-NE2 110.7 6.819 Q59HE22-NE2 110.7 7.187 T60H-N 114.936 8.178 T61H-N 118.5 8.441 L62H-N 121.734 7.814 R63H-N 115.3 7.295 N64H-N 118.45 8.315 N64HD21-ND2 111.4 6.805 N64HD22-ND2 111.4 7.522 V65H-N 118.562 8.664 L66H-N 119.381 7.889 G67H-N 101.8 7.475 T68H-N 106.2 7.227 K69H-N 120.9 7.51 N70H-N 120.4 8.843 N70HD21-ND2 112.7 6.88 N70HD22-ND2 112.7 7.583 L71H-N 124.904 9.763 S72H-N 111.786 9.354 Q73H-N 120.3 7.163 Q73HE21-NE2 113.2 6.825 Q73HE22-NE2 113.2 7.805 I74H-N 120.3 7.568 L75H-N 112.798 7.662 S76H-N 112.3 7.822 D77H-N 122.7 8.279 R78H-N 119.769 7.393 E79H-N 118.193 8.54 E80H-N 122.363 7.931 I81H-N 120.382 8.167 A82H-N 122.8 8.272 H83H-N 117.5 8.069 N84H-N 120.044 8.371 N84HD21-ND2 111.7 6.971 N84HD22-ND2 111.7 7.435 M85H-N 119.175 8.464 Q86H-N 120.533 8.362 Q86HE21-NE2 111.2 6.628 Q86HE22-NE2 111.2 7.358 S87H-N 114.652 7.828 T88H-N 117.884 7.888 L89H-N 121.262 8.627 D90H-N 120.4 8.865 D91H-N 118.009 7.714 A92H-N 118.974 7.293 T93H-N 103.9 7.514 D94H-N 124.1 7.213 A95H-N 121.344 7.693 W96H-N 115.122 7.233 G97H-N 103.935 7.701 I98H-N 119.4 7.189 K99H-N 127.5 9.047 V100H-N 128.268 8.876 E101H-N 115.752 7.616 R102H-N 115.585 7.616 V103H-N 124.751 8.472 E104H-N 124.444 9.032 I105H-N 124.438 8.739 K106H-N 129.6 8.312 D107H-N 118.9 8.185 V108H-N 121.597 7.988 K109H-N 126.475 8.883 L110H-N 124.629 8.344 V112H-N 120.865 8.16 Q113H-N 129.0 7.907