Assignment w1 w2 S36H-N 116.365 8.112 Y37H-N 121.885 8.155 G38H-N 109.771 8.332 R39H-N 121.087 8.224 D43H-N 119.118 8.425 V44H-N 118.278 7.882 E45H-N 123.222 8.328 G46H-N 108.993 8.361 M47H-N 118.074 7.493 T48H-N 118.968 8.993 S49H-N 123.365 9.097 L50H-N 124.488 9.495 K51H-N 123.276 9.239 V52H-N 130.086 9.136 D53H-N 125.621 9.312 N54H-N 112.496 8.438 N54HD21-ND2 111.727 8.111 N54HD22-ND2 111.727 6.758 L55H-N 114.844 7.477 T56H-N 111.571 8.341 Y57H-N 122.008 8.587 R58H-N 114.767 7.262 R58HE-NE 85.298 7.982 T59H-N 119.267 7.348 S60H-N 124.341 8.319 D62H-N 115.615 8.02 T63H-N 118.079 7.766 L64H-N 118.985 7.495 R65H-N 119.245 8.583 R65HE-NE 84.308 7.557 R66H-N 115.695 7.707 V67H-N 115.5 7.739 F68H-N 116.29 8.253 E69H-N 119.333 8.583 K70H-N 118.341 6.871 Y71H-N 115.014 7.611 G72H-N 104.741 7.356 R73H-N 115.783 7.99 R73HE-NE 84.271 7.554 V74H-N 130.246 8.846 G75H-N 114.952 8.943 D76H-N 115.344 7.224 V77H-N 122.703 7.551 Y78H-N 125.956 9.023 I79H-N 129.856 8.231 D82H-N 125.712 8.948 R83H-N 125.207 8.688 Y84H-N 117.911 8.449 T85H-N 110.45 9.141 K86H-N 113.57 7.821 E87H-N 118.364 7.714 S88H-N 115.692 8.705 R89H-N 122.17 7.934 G90H-N 106.948 8.557 F91H-N 113.487 6.936 A92H-N 117.841 8.848 F93H-N 115.981 8.824 V94H-N 123.12 8.581 R95H-N 123.954 8.727 R95HE-NE 84.375 6.946 F96H-N 121.921 9.127 H97H-N 120.064 7.982 D98H-N 119.665 9.096 K99H-N 127.804 8.784 R100H-N 118.451 8.6 R100HE-NE 85.57 7.474 D101H-N 119.627 7.089 A102H-N 119.421 6.832 E103H-N 117.506 8.011 D104H-N 120.487 8.02 A105H-N 122.179 8.118 M106H-N 118.38 8.279 D107H-N 117.03 7.749 A108H-N 117.995 7.347 M109H-N 112.202 8.057 D110H-N 120.043 7.825 G111H-N 117.743 8.636 A112H-N 123.755 7.909 V113H-N 118.703 8.083 L114H-N 129.473 8.895 D115H-N 129.66 9.428 G116H-N 100.557 7.978 R117H-N 120.104 7.493 R117HE-NE 84.608 6.914 E118H-N 121.206 8.352 L119H-N 127.97 9.349 R120H-N 121.001 7.512 R120HE-NE 85.083 7.652 V121H-N 125.999 9.437 Q122H-N 121.684 8.301 Q122HE21-NE2 112.425 7.376 Q122HE22-NE2 112.425 6.809 M123H-N 121.937 8.714 A124H-N 126.984 8.437 R128H-N 120.921 8.245 D131H-N 119.855 8.196 S132H-N 116.15 8.07 H133H-N 119.771 8.322 S135H-N 123.049 8.144