Assignment w1 w2 H3H-N 118.99 8.528 H4H-N 118.99 8.528 H5H-N 119.72 8.579 H6H-N 121.42 8.603 H7H-N 121.2 8.706 H8H-N 121.2 8.706 S9H-N 118.046 8.551 H10H-N 120.412 8.77 M11H-N 122.4 8.528 T12H-N 115.7 8.339 G13H-N 110.872 8.426 N14H-N 117.789 8.374 N14HD21-ND2 112.3 7.041 N14HD22-ND2 112.3 7.47 V15H-N 118.72 7.89 C16H-N 122.674 9.06 I17H-N 122.609 8.845 E18H-N 130.894 8.917 E19H-N 115.069 7.853 I20H-N 127.309 8.744 D21H-N 124.858 7.468 V22H-N 130.172 8.65 D23H-N 118.547 7.482 G24H-N 105.293 7.22 K25H-N 111.753 8.757 F26H-N 110.097 6.38 I27H-N 119.676 8.601 R28H-N 127.516 9.29 L29H-N 126.696 9.502 K30H-N 118.761 8.641 N31H-N 123.996 8.397 N31HD21-ND2 111.1 6.611 N31HD22-ND2 111.1 8.038 T32H-N 115.755 8.455 S33H-N 120.037 8.487 E34H-N 116.545 8.355 Q35H-N 120.013 8.634 Q35HE21-NE2 112.3 7.518 Q35HE22-NE2 112.3 6.838 D36H-N 124.552 8.859 Q37H-N 120.015 8.141 Q37HE21-NE2 118.1 7.583 Q37HE22-NE2 118.1 7.989 M39H-N 124.427 8.392 G40H-N 108.664 7.94 G41H-N 114.027 7.959 W42H-N 122.097 8.667 W42HE1-NE1 129.2 10.11 E43H-N 120.3 8.74 M44H-N 126.477 9.658 I45H-N 127.329 9.658 R46H-N 126.837 9.217 R46HE-NE 81.81 6.109 K47H-N 132.271 9.876 I48H-N 125.793 7.909 G49H-N 120.665 9.576 D50H-N 126.343 8.935 T51H-N 115.167 8.253 S52H-N 121.442 8.71 V53H-N 121.387 8.448 S54H-N 118.025 8.761 Y55H-N 128.024 9.34 K56H-N 127.706 7.551 Y57H-N 124.225 8.247 T58H-N 116.096 8.722 S59H-N 114.556 8.402 R60H-N 118.244 8.176 Y61H-N 122.301 7.617 V62H-N 129.952 7.363 L63H-N 128.635 7.852 K64H-N 130.633 8.77 A65H-N 123.214 8.628 G66H-N 112.913 7.505 Q67H-N 118.759 8.136 Q67HE21-NE2 114.1 6.875 Q67HE22-NE2 114.1 7.463 T68H-N 111.842 8.066 V69H-N 120.958 8.78 T70H-N 125.533 8.66 I71H-N 127.838 8.994 W72H-N 127.112 9.27 W72HE1-NE1 132.2 11.5 A73H-N 122.14 9.01 A74H-N 123.213 9.002 N75H-N 112.259 8.162 N75HD21-ND2 112.6 7.24 N75HD22-ND2 112.6 7.826 A76H-N 120.777 7.605 G77H-N 107.064 8.449 V78H-N 120.566 7.286 T79H-N 121.617 8.148 A80H-N 126.311 8.593 S81H-N 114.816 9.101 T84H-N 114.629 8.007 D85H-N 124.539 7.952 L86H-N 124.265 9.271 I87H-N 119.475 8.691 W88H-N 132.61 9.755 W88HE1-NE1 127.4 9.907 K89H-N 125.513 8.282 N90H-N 114.946 8.81 N90HD21-ND2 113.0 7.033 N90HD22-ND2 113.0 7.676 Q91H-N 117.746 7.546 Q91HE21-NE2 113.0 6.78 Q91HE22-NE2 113.0 7.408 N92H-N 123.697 8.451 N92HD21-ND2 110.0 6.675 N92HD22-ND2 110.0 7.399 S93H-N 117.01 9.337 W94H-N 120.449 7.857 W94HE1-NE1 131.6 10.53 G95H-N 109.481 7.795 T96H-N 112.538 8.028 G97H-N 111.464 8.443 E98H-N 118.563 8.01 D99H-N 122.219 8.68 V100H-N 123.901 8.215 K101H-N 126.635 8.6 V102H-N 125.573 9.209 I103H-N 125.593 8.968 L104H-N 127.791 9.017 K105H-N 126.536 9.674 N106H-N 116.55 7.774 N106HD21-ND2 112.3 7.449 N106HD22-ND2 112.3 7.383 S107H-N 112.4 6.988 Q108H-N 119.0 7.414 Q108HE21-NE2 112.6 6.78 Q108HE22-NE2 112.6 7.445 G109H-N 107.333 7.835 E110H-N 120.137 7.562 E111H-N 123.867 8.799 V112H-N 122.642 9.093 A113H-N 121.07 7.793 Q114H-N 115.851 8.45 Q114HE21-NE2 112.0 6.739 Q114HE22-NE2 112.0 7.806 R115H-N 122.92 8.989 S116H-N 119.807 8.511 T117H-N 116.435 8.801 V118H-N 122.111 8.165 F119H-N 126.006 8.58 K120H-N 124.095 8.346 T121H-N 116.359 8.294 T122H-N 121.0 7.809