Assignment w1 w2 D3H-N 121.704 8.577 L4H-N 122.788 8.324 E5H-N 121.436 8.426 Q6H-N 120.973 8.318 Q6HE21-NE2 112.776 7.625 Q6HE22-NE2 112.776 6.886 E7H-N 122.747 8.458 W8H-N 125.497 8.458 W8HE1-NE1 129.921 9.763 K9H-N 127.844 7.254 D12H-N 117.155 7.91 E13H-N 117.797 8.589 E14H-N 119.267 8.239 L15H-N 122.583 7.886 I16H-N 118.557 8.4 K17H-N 117.213 7.581 K18H-N 116.802 7.657 L19H-N 120.772 8.544 V20H-N 119.664 8.813 D21H-N 117.854 8.324 Q22H-N 117.672 7.907 Q22HE21-NE2 114.7 6.236 Q22HE22-NE2 114.7 7.004 I23H-N 119.279 8.625 E24H-N 119.415 9.179 F25H-N 118.646 7.767 Y26H-N 120.951 7.991 F27H-N 112.033 7.496 S28H-N 117.79 7.725 D29H-N 123.782 9.259 E30H-N 116.617 8.475 N31H-N 115.044 7.341 N31HD21-ND2 120.895 8.757 N31HD22-ND2 120.895 8.32 L32H-N 118.996 8.731 E33H-N 113.87 7.24 K34H-N 114.497 7.014 D35H-N 123.144 7.843 A36H-N 126.211 7.902 F37H-N 119.152 8.418 L38H-N 122.284 7.649 L39H-N 120.437 8.62 K40H-N 116.57 8.092 H41H-N 117.328 7.237 V42H-N 120.937 7.883 R43H-N 113.054 8.043 R43HE-NE 85.71 8.441 R44H-N 117.979 7.649 R44HE-NE 84.628 7.152 N45H-N 116.083 7.1 N45HD21-ND2 116.581 7.925 N45HD22-ND2 116.581 7.427 K46H-N 126.104 9.117 L47H-N 117.476 7.961 G48H-N 109.946 8.157 Y49H-N 116.396 7.484 V50H-N 119.477 9.439 S51H-N 119.29 8.606 V52H-N 129.315 8.682 K53H-N 125.106 8.318 L54H-N 122.997 7.238 L55H-N 117.919 7.123 T56H-N 112.192 7.372 S57H-N 113.441 7.404 F58H-N 123.94 7.489 K59H-N 121.601 8.81 V61H-N 118.115 7.671 K62H-N 120.789 8.136 H63H-N 113.713 7.273 L64H-N 120.077 8.278 T65H-N 113.578 8.408 R66H-N 119.317 8.104 R66HE-NE 85.282 7.266 D67H-N 123.408 8.575 W68H-N 127.995 9.048 W68HE1-NE1 130.361 10.391 R69H-N 120.623 7.436 R69HE-NE 84.518 7.528 T70H-N 120.595 7.807 T71H-N 119.192 7.563 A72H-N 120.831 8.735 H73H-N 115.695 7.785 A74H-N 117.618 8.199 L75H-N 112.465 7.81 K76H-N 120.103 7.476 Y77H-N 115.671 8.039 S78H-N 113.621 7.101 V79H-N 121.905 9.184 V80H-N 116.783 7.514 L81H-N 120.871 7.55 E82H-N 119.154 8.971 L83H-N 125.658 8.493 N84H-N 120.09 8.386 N84HD21-ND2 112.355 7.034 N84HD22-ND2 112.355 7.228 E85H-N 118.176 8.631 D86H-N 113.831 7.251 H87H-N 111.595 7.723 R88H-N 112.281 8.137 R88HE-NE 85.509 7.181 K89H-N 118.487 8.139 V90H-N 119.298 9.209 R91H-N 123.2 8.789 R91HE-NE 85.427 7.232 R92H-N 120.905 9.108 R92HE-NE 83.32 6.633 T93H-N 114.188 8.052 T94H-N 115.529 7.536 V96H-N 125.945 8.648 L98H-N 117.822 7.687 F99H-N 125.468 8.9 N101H-N 114.783 8.613 N101HD21-ND2 112.602 7.567 N101HD22-ND2 112.602 6.864 E102H-N 120.134 8.029 N103H-N 118.661 8.277 N103HD21-ND2 112.845 7.55 N103HD22-ND2 112.845 6.856 L104H-N 123.722 8.137 S106H-N 121.985 8.012