Assignment w1 w2 R2H-N 120.528 9.02 R2HE-NE 83.197 7.591 I3H-N 118.219 9.442 F4H-N 128.986 9.506 V5H-N 119.916 9.11 Y6H-N 116.954 7.693 G7H-N 115.535 7.527 S8H-N 120.967 8.319 L9H-N 120.26 7.789 R10H-N 115.407 7.679 G14H-N 108.687 8.31 N15H-N 118.592 8.236 N15HD21-ND2 112.9 6.95 N15HD22-ND2 112.9 7.55 S16H-N 116.228 8.381 H17H-N 121.389 8.677 W18H-N 120.339 7.997 W18HE1-NE1 128.019 9.497 M19H-N 115.203 7.859 T20H-N 113.245 7.769 N21H-N 118.027 8.082 N21HD21-ND2 113.713 6.865 N21HD22-ND2 113.713 7.577 A22H-N 123.308 7.641 Q23H-N 120.544 8.54 Q23HE21-NE2 112.381 7.521 Q23HE22-NE2 112.381 6.81 L24H-N 129.402 8.995 L25H-N 128.114 9.142 G26H-N 102.307 6.697 D27H-N 118.791 8.676 F28H-N 119.778 8.757 S29H-N 122.559 7.026 I30H-N 122.486 8.588 D31H-N 125.729 8.118 N32H-N 113.009 8.672 N32HD21-ND2 114.749 7.43 N32HD22-ND2 114.749 6.97 Y33H-N 116.172 7.527 Q34H-N 114.103 9.141 Q34HE21-NE2 113.99 7.552 Q34HE22-NE2 113.99 7.081 L35H-N 122.245 8.995 Y36H-N 122.858 8.77 S37H-N 113.113 9.142 L38H-N 129.147 8.4 G39H-N 110.601 8.472 Y41H-N 114.738 7.152 G43H-N 107.127 9.298 A44H-N 125.588 8.0 V45H-N 114.402 9.025 G47H-N 110.32 7.596 N48H-N 117.384 8.17 N48HD21-ND2 112.62 7.597 N48HD22-ND2 112.62 6.893 G49H-N 113.947 8.003 T50H-N 113.596 7.763 V51H-N 123.574 8.545 H52H-N 126.661 9.135 G53H-N 110.902 9.054 E54H-N 120.15 8.52 V55H-N 120.701 9.035 Y56H-N 124.871 9.411 R57H-N 122.545 9.45 R57HE-NE 84.472 7.239 I58H-N 120.405 8.728 D59H-N 120.186 8.183 N60H-N 117.644 8.602 N60HD21-ND2 112.817 7.706 N60HD22-ND2 112.817 6.97 A61H-N 123.521 8.456 T62H-N 117.585 8.183 L63H-N 122.585 7.679 A64H-N 119.229 7.878 E65H-N 120.221 7.663 L66H-N 120.99 8.1 D67H-N 120.397 9.027 A68H-N 123.696 7.783 L69H-N 116.063 7.259 R70H-N 115.019 8.331 R70HE-NE 85.331 6.571 T71H-N 105.827 8.35 R72H-N 124.768 7.213 R72HE-NE 84.626 7.272 G73H-N 113.96 9.162 G74H-N 107.626 8.264 E75H-N 120.513 7.625 Y76H-N 108.352 7.487 A77H-N 120.36 8.771 R78H-N 121.199 9.173 R78HE-NE 83.799 8.878 Q79H-N 122.704 9.234 Q79HE21-NE2 111.234 7.211 Q79HE22-NE2 111.234 7.028 L80H-N 126.586 8.807 I81H-N 121.244 9.288 Q82H-N 119.69 8.351 Q82HE21-NE2 112.195 7.475 Q82HE22-NE2 112.195 6.726 T83H-N 112.528 7.024 Y85H-N 115.68 7.492 G86H-N 106.229 7.331 S87H-N 118.019 8.82 A88H-N 124.425 9.138 W89H-N 120.427 8.403 W89HE1-NE1 129.824 10.165 M90H-N 120.487 9.397 Y91H-N 125.195 9.987 V92H-N 129.859 9.754 Y93H-N 133.963 9.691 Q94H-N 121.97 8.103 Q94HE21-NE2 115.609 6.725 Q94HE22-NE2 115.609 7.468 R95H-N 117.784 5.404 R95HE-NE 84.831 7.361 V97H-N 112.213 8.216 D98H-N 121.109 7.63 G99H-N 111.621 8.836 L100H-N 120.048 7.826 K101H-N 120.865 8.39 I103H-N 128.23 8.987 E104H-N 131.007 9.139 S105H-N 112.402 8.606 G106H-N 108.107 8.1 D107H-N 118.742 7.931 W108H-N 126.513 9.845 W108HE1-NE1 129.261 10.462 L109H-N 115.205 8.11 D110H-N 120.44 7.641 R111H-N 120.294 7.834 R111HE-NE 84.534 6.722 D112H-N 119.818 8.356 K113H-N 120.849 7.822 L114H-N 122.057 8.196 E115H-N 120.684 8.2 H116H-N 119.116 8.431