Assignment w1 w2 S2H-N 115.804 8.608 V3H-N 122.056 8.316 V4H-N 124.535 8.245 G5H-N 113.176 8.498 G6H-N 108.589 8.245 L7H-N 121.812 8.182 G8H-N 109.755 8.486 G9H-N 109.044 8.312 Y10H-N 117.761 7.699 M11H-N 121.166 9.04 L12H-N 121.247 8.021 G13H-N 114.539 9.29 S14H-N 113.736 8.238 A15H-N 125.415 8.644 M16H-N 121.32 8.731 S17H-N 116.01 8.349 R18H-N 126.057 8.58 R18HE-NE 85.676 6.864 M20H-N 122.105 8.665 I21H-N 124.214 6.602 H22H-N 121.762 8.149 F23H-N 124.878 10.342 G24H-N 108.85 8.95 N25H-N 114.666 7.233 N25HD21-ND2 115.468 7.567 N25HD22-ND2 115.468 7.357 D26H-N 123.487 8.979 W27H-N 120.338 8.46 W27HE1-NE1 129.456 10.193 E28H-N 120.357 8.097 D29H-N 118.971 7.971 R30H-N 119.866 8.026 R30HE-NE 85.442 7.439 Y31H-N 120.913 8.271 Y32H-N 120.346 8.96 R33H-N 117.236 7.896 R33HE-NE 85.133 7.455 E34H-N 115.42 7.85 N35H-N 115.227 7.534 N35HD21-ND2 116.496 6.721 N35HD22-ND2 116.496 6.459 M36H-N 118.301 7.793 Y37H-N 116.191 7.547 R38H-N 118.498 7.517 R38HE-NE 84.878 7.305 Y39H-N 120.484 7.331 N41H-N 115.862 8.453 N41HD21-ND2 109.178 7.46 N41HD22-ND2 109.178 6.785 Q42H-N 114.319 7.259 Q42HE21-NE2 112.228 7.823 Q42HE22-NE2 112.228 6.925 V43H-N 112.831 8.427 Y44H-N 121.288 8.431 Y45H-N 111.176 8.514 R46H-N 120.518 7.97 R46HE-NE 84.902 6.654 V48H-N 119.014 8.484 D49H-N 118.385 8.288 Q50H-N 117.306 8.25 Q50HE21-NE2 112.372 7.518 Q50HE22-NE2 112.372 6.773 Y51H-N 117.278 7.938 S52H-N 115.461 8.894 N53H-N 115.084 7.747 N53HD21-ND2 113.505 7.515 N53HD22-ND2 113.505 6.709 Q54H-N 120.107 8.639 Q54HE21-NE2 111.22 7.155 Q54HE22-NE2 111.22 6.832 N55H-N 117.316 8.377 N55HD21-ND2 112.642 7.556 N55HD22-ND2 112.642 6.935 N56H-N 118.484 8.557 N56HD21-ND2 111.632 7.644 N56HD22-ND2 111.632 7.144 F57H-N 121.675 7.438 V58H-N 120.243 8.903 H59H-N 116.538 8.359 D60H-N 118.651 7.536 C61H-N 119.392 8.189 V62H-N 124.467 9.161 N63H-N 116.53 7.624 N63HD21-ND2 111.765 7.616 N63HD22-ND2 111.765 6.753 I64H-N 118.875 8.807 T65H-N 118.082 8.135 I66H-N 120.679 8.523 K67H-N 122.709 8.064 Q68H-N 116.254 8.323 Q68HE21-NE2 109.78 6.7 Q68HE22-NE2 109.78 6.661 H69H-N 117.95 8.175 T70H-N 113.358 8.224 V71H-N 121.903 7.998 T72H-N 115.077 8.035 T73H-N 114.755 7.989 T74H-N 116.356 8.172 T75H-N 115.856 7.918 K76H-N 121.135 7.85 G77H-N 108.845 8.102 E78H-N 119.979 7.734 N79H-N 119.783 8.418 N79HD21-ND2 112.815 7.508 N79HD22-ND2 112.815 6.813 F80H-N 121.701 8.552 T81H-N 115.929 9.47 E82H-N 120.041 9.094 T83H-N 116.198 7.931 D84H-N 120.04 7.532 V85H-N 119.761 8.219 K86H-N 119.241 7.733 M87H-N 118.588 8.188 M88H-N 118.283 8.726 E89H-N 118.355 8.422 R90H-N 116.991 7.319 R90HE-NE 83.664 7.275 V91H-N 119.159 8.179 V92H-N 120.452 8.969 E93H-N 120.619 8.191 Q94H-N 115.635 7.22 Q94HE21-NE2 111.456 7.374 Q94HE22-NE2 111.456 6.734 M95H-N 119.489 8.219 C96H-N 119.276 9.186 V97H-N 123.269 8.382 T98H-N 117.878 8.078 Q99H-N 122.355 8.729 Q99HE21-NE2 113.825 7.103 Q99HE22-NE2 113.825 6.719 Y100H-N 119.928 8.467 Q101H-N 119.508 8.177 Q101HE21-NE2 110.609 7.365 Q101HE22-NE2 110.609 6.768 K102H-N 119.027 7.935 E103H-N 117.73 8.288 S104H-N 114.852 8.292 Q105H-N 120.621 7.589 Q105HE21-NE2 112.17 7.532 Q105HE22-NE2 112.17 6.769 A106H-N 120.945 7.597 Y107H-N 118.71 7.885 Y108H-N 119.61 7.997 D109H-N 120.798 8.16 G110H-N 108.027 7.858 R111H-N 119.92 7.863 R111HE-NE 84.917 7.22 R112H-N 121.732 8.191 R112HE-NE 84.949 7.188 S113H-N 117.395 8.351 S114H-N 122.683 7.964