Assignment w1 w2 W27H-N 118.681 7.831 D28H-N 121.178 8.111 I29H-N 120.177 7.82 V30H-N 124.844 8.203 V31H-N 123.813 8.163 D32H-N 122.074 8.154 N33H-N 115.983 7.901 C34H-N 123.612 8.503 A35H-N 132.181 9.493 I36H-N 116.079 7.956 C37H-N 116.456 7.818 R38H-N 117.125 8.511 N39H-N 121.377 8.72 H40H-N 122.235 9.226 I41H-N 126.643 7.991 D43H-N 121.143 7.854 L44H-N 119.501 8.484 C45H-N 120.79 8.151 I46H-N 116.79 6.626 E47H-N 123.451 7.642 C48H-N 124.445 8.676 Q49H-N 117.736 8.419 A50H-N 119.578 7.335 N51H-N 116.209 7.617 N51HD21-ND2 113.293 7.634 N51HD22-ND2 113.293 6.916 Q52H-N 120.078 8.116 A53H-N 122.298 8.345 S54H-N 113.232 8.011 A55H-N 125.573 8.323 T56H-N 111.006 8.071 S57H-N 118.037 8.328 E58H-N 121.505 8.368 E59H-N 119.409 8.074 C60H-N 126.937 8.34 T61H-N 116.442 7.497 V62H-N 123.637 8.862 A63H-N 128.54 9.247 W64H-N 120.167 9.065 W64HE1-NE1 129.324 9.983 G65H-N 110.755 9.128 V66H-N 122.747 8.299 C67H-N 116.72 7.567 N68H-N 114.522 8.06 H69H-N 117.754 7.797 A70H-N 122.889 7.811 F71H-N 113.618 8.377 H72H-N 118.823 8.429 F73H-N 129.04 9.881 H74H-N 120.611 10.457 C75H-N 117.628 6.933 I76H-N 119.139 8.29 S77H-N 118.224 8.157 R78H-N 120.496 7.174 W79H-N 123.951 7.981 W79HE1-NE1 130.2 10.127 L80H-N 116.707 8.246 K81H-N 117.24 7.309 T82H-N 106.446 7.452 R83H-N 121.616 7.426 Q84H-N 118.161 8.526 V85H-N 109.557 7.083 C86H-N 123.889 9.02 L88H-N 118.497 8.798 D89H-N 114.958 7.396 N90H-N 115.407 8.332 R91H-N 119.005 8.825 E92H-N 122.676 8.869 W93H-N 126.288 8.437 W93HE1-NE1 129.321 10.061 E94H-N 127.912 7.319 F95H-N 122.445 8.827 Q96H-N 122.896 9.119 K97H-N 121.917 8.308 Y98H-N 121.451 8.431 G99H-N 110.965 8.395 H100H-N 123.614 7.723