Assignment w1 w2 R2H-N 127.774 10.138 R2HE-NE 84.393 7.214 V3H-N 126.944 8.843 I4H-N 127.176 8.402 V5H-N 128.156 9.189 V6H-N 128.048 9.617 I7H-N 127.98 9.095 V8H-N 126.321 8.493 G9H-N 112.117 8.403 S11H-N 116.261 8.78 G12H-N 113.566 8.966 A13H-N 124.442 8.349 G14H-N 109.609 8.61 K15H-N 120.635 8.228 T16H-N 114.958 8.1 T17H-N 117.036 8.24 L18H-N 121.435 8.536 D19H-N 116.751 8.316 E20H-N 121.187 7.778 L21H-N 120.429 7.991 A22H-N 121.336 8.367 R23H-N 119.664 7.872 R23HE-NE 83.816 7.763 K24H-N 120.153 8.203 A25H-N 120.989 8.388 K26H-N 116.671 7.539 E27H-N 116.788 7.519 E28H-N 116.29 7.87 V29H-N 118.158 8.175 D31H-N 114.188 8.7 A32H-N 122.635 7.844 E33H-N 119.079 7.816 I34H-N 124.649 8.793 R35H-N 128.15 9.373 R35HE-NE 86.302 9.018 T36H-N 114.105 8.498 V37H-N 121.525 8.795 T38H-N 116.669 9.748 T39H-N 110.727 7.708 K40H-N 121.234 9.216 E41H-N 120.332 8.535 D42H-N 120.191 8.12 A43H-N 121.269 7.859 K44H-N 117.829 7.875 R45H-N 118.817 7.778 R45HE-NE 84.325 7.539 V46H-N 120.152 8.342 A47H-N 123.317 8.341 E48H-N 117.379 8.183 E49H-N 121.426 8.05 A50H-N 121.242 8.665 E51H-N 117.399 7.873 R52H-N 120.556 8.318 R52HE-NE 84.529 7.544 R53H-N 114.997 8.29 R53HE-NE 84.732 7.764 N54H-N 116.674 7.851 N54HD21-ND2 111.781 6.81 N54HD22-ND2 111.781 7.495 A55H-N 118.594 8.08 D56H-N 120.223 8.698 I57H-N 115.9 7.634 V58H-N 126.174 8.829 V59H-N 127.2 8.999 I60H-N 128.112 9.357 V61H-N 129.89 9.418 G62H-N 113.924 8.398 S64H-N 115.913 8.639 G65H-N 110.945 8.624 S66H-N 116.545 8.507 G67H-N 111.188 8.589 K68H-N 119.823 8.03 S69H-N 116.302 8.302 T70H-N 118.56 8.43 L71H-N 121.194 8.175 A72H-N 119.946 8.243 K73H-N 116.878 7.721 I74H-N 120.782 7.711 V75H-N 118.397 8.154 K76H-N 118.09 8.076 K77H-N 117.594 7.648 I78H-N 118.635 7.801 I79H-N 118.52 8.292 A80H-N 122.547 8.348 R81H-N 117.813 7.543 R81HE-NE 84.976 7.458 A82H-N 120.665 7.772 G83H-N 104.575 7.851 A84H-N 122.16 7.308 K85H-N 122.92 8.08 T86H-N 119.085 8.414 I87H-N 123.735 8.693 E88H-N 125.601 8.725 V89H-N 117.85 8.852 T90H-N 112.734 8.92 T91H-N 109.87 7.599 A98H-N 122.239 8.092 V99H-N 117.368 8.321 A100H-N 122.313 7.899 K101H-N 119.006 8.074 A102H-N 122.306 7.858 R103H-N 117.955 8.589 G104H-N 106.98 8.054 S105H-N 116.29 8.045 W106H-N 129.732 8.343 W106HE1-NE1 129.704 10.106 S107H-N 115.437 8.333 L108H-N 122.109 7.788 E109H-N 118.605 7.85 H110H-N 117.583 7.994 H111H-N 119.206 8.175 H112H-N 119.773 8.471 H113H-N 120.435 8.57 H115H-N 125.265 8.269