Assignment w1 w2 D8H-N 120.51 8.164 R9H-N 121.776 8.351 R10H-N 121.287 8.36 S11H-N 116.36 8.333 T12H-N 115.545 8.177 L13H-N 123.512 8.048 H14H-N 119.514 8.257 L15H-N 121.776 7.985 L16H-N 122.326 8.168 Q17H-N 120.852 8.338 Q17HE21-NE2 112.377 7.532 Q17HE22-NE2 112.377 6.847 G18H-N 110.146 8.454 G19H-N 108.914 8.369 D20H-N 119.699 8.44 E21H-N 119.699 8.128 K22H-N 122.414 8.953 K23H-N 123.44 8.503 V24H-N 124.039 9.203 N25H-N 125.637 8.757 N25HD21-ND2 112.264 7.483 N25HD22-ND2 112.264 6.797 L26H-N 126.125 9.274 V27H-N 125.759 8.61 L28H-N 126.649 8.659 G29H-N 110.17 8.476 D30H-N 120.814 8.592 G31H-N 111.246 8.819 R32H-N 119.485 7.677 S33H-N 116.835 8.779 L34H-N 125.149 8.909 G35H-N 100.879 8.244 L36H-N 115.432 7.026 T37H-N 117.776 8.354 I38H-N 117.838 8.792 R39H-N 118.435 9.292 G40H-N 107.254 8.681 G41H-N 106.763 7.196 A42H-N 125.209 8.966 E43H-N 121.487 11.144 Y44H-N 119.205 8.03 G45H-N 108.52 8.025 L46H-N 118.642 7.557 G47H-N 106.628 8.449 I48H-N 117.727 8.578 Y49H-N 123.928 8.837 I50H-N 121.56 9.056 T51H-N 121.23 9.502 G52H-N 112.396 7.526 V53H-N 122.902 8.19 D54H-N 128.921 9.114 G56H-N 113.723 9.417 S57H-N 113.844 7.539 E58H-N 121.962 9.455 A59H-N 119.937 8.587 E60H-N 120.45 7.744 G61H-N 108.84 8.346 S62H-N 114.212 7.738 G63H-N 107.643 7.847 L64H-N 120.217 7.378 K65H-N 120.156 8.663 V66H-N 119.499 8.226 G67H-N 116.444 8.936 D68H-N 121.267 7.896 Q69H-N 121.108 8.632 Q69HE21-NE2 107.012 7.391 Q69HE22-NE2 107.012 6.768 I70H-N 125.921 8.712 L71H-N 127.76 9.203 E72H-N 120.082 7.561 V73H-N 121.624 8.048 N74H-N 126.771 9.301 N74HD21-ND2 109.114 7.814 N74HD22-ND2 109.114 7.074 G75H-N 103.441 8.489 R76H-N 122.438 8.119 S77H-N 120.242 9.008 F78H-N 129.629 8.984 L79H-N 123.185 8.338 N80H-N 118.494 8.271 N80HD21-ND2 111.731 6.744 N80HD22-ND2 111.731 7.496 I81H-N 123.415 8.575 L82H-N 129.791 8.526 H83H-N 125.749 10.697 D84H-N 114.701 9.881 E85H-N 120.413 7.037 A86H-N 122.792 7.698 V87H-N 115.787 7.789 R88H-N 118.093 7.726 L89H-N 121.096 8.386 L90H-N 119.228 8.054 K91H-N 113.552 7.542 S92H-N 112.796 7.57 S93H-N 113.968 7.093 H95H-N 118.899 8.02 L96H-N 126.882 9.096 I97H-N 123.586 8.777 L98H-N 128.618 9.243 T99H-N 118.948 8.47 V100H-N 123.781 9.35 K101H-N 123.756 9.078 D102H-N 127.553 8.708 V103H-N 123.063 8.69 G104H-N 110.894 8.565 R105H-N 119.767 8.095 L106H-N 124.148 8.119 H108H-N 118.826 8.178 A109H-N 125.076 8.154 R110H-N 120.583 8.415 T111H-N 115.08 8.253 T112H-N 116.274 8.159 V113H-N 121.805 8.15 D114H-N 123.537 8.281 E115H-N 122.607 8.498 T116H-N 114.309 8.239 K117H-N 122.781 7.972 W118H-N 121.785 7.985 W118HE1-NE1 129.171 10.084 I119H-N 122.83 7.797 A120H-N 127.567 8.155 S121H-N 114.857 8.179 G124H-N 110.561 8.164 S126H-N 116.432 8.503 S127H-N 117.74 8.309 G128H-N 116.873 8.03