Assignment w1 w2 A1H-N 125.985 8.253 K3H-N 120.413 8.319 A4H-N 123.623 8.228 S5H-N 113.775 8.125 L6H-N 122.941 8.105 L8H-N 122.875 8.134 G9H-N 110.984 8.639 E12H-N 122.368 8.11 Y13H-N 118.519 8.389 S14H-N 114.966 8.514 R15H-N 121.528 7.893 I16H-N 118.476 8.338 S17H-N 113.764 8.28 N18H-N 117.58 7.878 N18HD21-ND2 111.672 7.599 N18HD22-ND2 111.672 6.87 L19H-N 118.097 7.651 I20H-N 117.826 8.277 V21H-N 119.422 8.414 L22H-N 117.546 8.249 H23H-N 116.918 7.905 L24H-N 117.507 8.337 R25H-N 118.175 8.4 K26H-N 119.946 7.595 V27H-N 117.273 7.871 E28H-N 118.474 7.891 E29H-N 116.126 7.69 E30H-N 116.695 7.923 E31H-N 117.755 8.195 D32H-N 118.21 8.202 E33H-N 118.472 8.03 S34H-N 114.64 8.157 A35H-N 121.271 7.624 R38H-N 123.453 8.594 S39H-N 113.446 10.189 E40H-N 122.082 6.933 L41H-N 123.679 8.436 V42H-N 118.519 8.339 N43H-N 115.316 8.06 N43HD21-ND2 111.04 7.615 N43HD22-ND2 111.04 6.837 W44H-N 121.008 8.518 W44HE1-NE1 129.553 9.793 Y45H-N 120.101 8.219 L46H-N 115.046 8.109 K47H-N 116.456 7.548 E48H-N 119.436 7.789 I49H-N 110.858 7.094 E50H-N 121.108 7.14 S51H-N 112.27 8.114 E52H-N 119.072 8.255 I53H-N 118.998 7.479 D54H-N 123.973 8.59 S55H-N 111.192 7.556 E56H-N 123.031 9.017 E57H-N 117.914 8.581 E58H-N 118.635 7.795 L59H-N 121.47 7.859 I60H-N 117.568 8.011 N61H-N 117.974 7.832 N61HD21-ND2 112.208 7.7 N61HD22-ND2 112.208 6.947 K62H-N 118.093 8.577 K63H-N 120.3 8.652 R64H-N 116.385 7.965 I65H-N 118.58 7.895 I66H-N 118.514 8.332 E67H-N 120.531 8.35 K68H-N 120.742 8.019 V69H-N 121.301 8.642 H71H-N 120.997 8.371 R72H-N 120.721 8.451 L73H-N 120.305 9.163 T74H-N 111.995 7.902 H75H-N 115.583 8.386 D77H-N 115.591 8.248 H78H-N 109.352 6.744 V79H-N 118.649 8.184 L80H-N 114.378 6.991 I81H-N 117.713 9.018 E82H-N 121.251 8.232 L83H-N 124.833 9.033 T84H-N 113.774 8.273 Q85H-N 120.798 8.6 Q85HE21-NE2 111.269 7.465 Q85HE22-NE2 111.269 6.824 A86H-N 122.755 8.231 G87H-N 106.746 8.201 L88H-N 120.725 7.93 K89H-N 119.794 8.238 G90H-N 108.925 8.295 T92H-N 114.569 8.243 E93H-N 122.212 8.406 G94H-N 109.5 8.437 S95H-N 114.654 8.156 E96H-N 121.712 8.559 S97H-N 115.064 8.187 Y98H-N 121.718 8.167 E99H-N 120.961 8.218 E100H-N 120.529 8.218 D101H-N 119.141 8.172 Y103H-N 116.051 8.225 L104H-N 121.289 8.641 V105H-N 109.42 8.227 V106H-N 120.341 8.756 N107H-N 125.64 8.893 N109H-N 113.849 8.108 N109HD21-ND2 112.502 7.587 N109HD22-ND2 112.502 6.944 Y110H-N 120.103 7.835 L111H-N 123.657 7.677 L112H-N 121.638 7.828 E113H-N 121.337 8.17 D114H-N 126.219 7.93