Assignment w1 w2 Y8H-N 120.371 8.125 Q12H-N 121.795 8.376 Q12HE21-NE2 112.516 7.508 Q12HE22-NE2 112.516 6.818 A13H-N 126.391 8.265 G15H-N 109.237 8.571 G16H-N 108.654 8.27 I17H-N 120.16 8.357 Q18H-N 121.81 8.554 Q18HE21-NE2 112.582 7.78 Q18HE22-NE2 112.582 6.799 E19H-N 120.457 8.09 I20H-N 119.67 7.63 V21H-N 120.198 8.433 A22H-N 121.852 8.088 M23H-N 113.998 7.573 S24H-N 117.131 7.556 E26H-N 117.559 8.063 D28H-N 120.472 8.442 T29H-N 116.26 8.403 Y30H-N 123.617 7.937 S31H-N 115.863 7.89 I32H-N 120.521 8.238 T33H-N 109.275 7.811 K34H-N 123.083 7.925 R35H-N 118.881 7.996 R35HE-NE 85.074 7.176 V36H-N 119.364 8.613 K37H-N 116.614 8.088 E38H-N 120.458 7.917 V39H-N 119.767 8.227 L40H-N 119.276 8.611 T41H-N 115.536 8.351 D42H-N 122.785 8.916 N43H-N 112.779 7.276 N43HD21-ND2 119.736 8.625 N43HD22-ND2 119.736 7.746 N44H-N 117.46 7.924 N44HD21-ND2 112.247 7.558 N44HD22-ND2 112.247 6.855 L45H-N 118.542 8.514 G46H-N 108.995 8.455 Q47H-N 120.39 8.565 Q47HE21-NE2 108.805 7.483 Q47HE22-NE2 108.805 6.758 R48H-N 120.753 8.692 L49H-N 121.198 7.821 F50H-N 118.91 7.901 G51H-N 106.702 8.966 E52H-N 120.721 8.405 S53H-N 112.083 8.156 I54H-N 117.09 7.834 L55H-N 113.526 6.385 G56H-N 108.832 7.286 L57H-N 119.059 7.505 T58H-N 110.118 7.973 Q59H-N 120.563 8.841 Q59HE21-NE2 111.613 7.567 Q59HE22-NE2 111.613 6.843 S61H-N 116.718 7.628 V62H-N 122.855 8.45 S63H-N 115.838 8.152 D64H-N 121.374 7.571 L65H-N 119.395 7.536 L66H-N 109.251 7.767 S67H-N 111.899 7.918 R68H-N 121.12 8.073 K70H-N 123.129 8.161 W72H-N 122.913 9.222 W72HE1-NE1 131.542 10.633 H73H-N 111.644 8.546 K74H-N 118.258 7.61 L75H-N 120.852 7.164 S76H-N 117.653 8.374 L77H-N 120.009 8.508 K78H-N 118.144 8.201 G79H-N 109.446 8.112 R80H-N 118.024 7.878 E81H-N 118.76 7.488 F83H-N 114.836 6.982 V84H-N 120.841 7.993 R85H-N 117.681 8.376 R85HE-NE 84.733 7.789 M86H-N 118.656 8.451 Q87H-N 120.611 8.283 Q87HE21-NE2 111.296 7.243 Q87HE22-NE2 111.296 6.568 L88H-N 118.784 8.364 W89H-N 121.383 8.185 W89HE1-NE1 130.17 10.215 L90H-N 119.064 8.749 N91H-N 115.142 7.422 N91HD21-ND2 110.746 7.599 N91HD22-ND2 110.746 6.887 D92H-N 122.245 7.202 H94H-N 117.01 8.405 N95H-N 119.585 7.784 N95HD21-ND2 109.658 6.296 N95HD22-ND2 109.658 6.12 V96H-N 123.74 8.584 E97H-N 120.852 8.059 K98H-N 116.325 8.139 L99H-N 119.731 7.639 R100H-N 119.296 8.482 D101H-N 118.835 7.963 M102H-N 119.282 7.771 K103H-N 120.954 8.046 K104H-N 120.374 7.962 L105H-N 121.326 8.013 S106H-N 115.508 8.077 G107H-N 110.419 8.14 S109H-N 116.284 8.536