Assignment w1 w2 S6H-N 120.138 8.714 R7H-N 125.546 8.684 K8H-N 126.758 9.332 I9H-N 129.026 9.15 A10H-N 128.138 7.822 I11H-N 124.253 8.913 L12H-N 128.185 9.505 G13H-N 106.543 9.288 Y14H-N 122.936 9.407 R15H-N 125.464 6.673 S16H-N 118.716 9.922 V17H-N 113.706 7.709 G18H-N 109.14 8.564 K19H-N 125.893 10.395 S20H-N 120.577 9.38 S21H-N 119.901 9.154 L22H-N 126.004 9.162 T23H-N 117.617 7.699 I24H-N 122.739 8.901 Q25H-N 122.614 7.96 F26H-N 117.844 7.684 V27H-N 117.751 8.829 E28H-N 116.744 9.0 G29H-N 110.353 7.744 Q30H-N 113.749 6.623 Q30HE21-NE2 112.371 7.408 Q30HE22-NE2 112.371 6.75 F31H-N 123.857 8.679 V32H-N 126.365 7.796 D33H-N 122.451 8.124 S34H-N 113.479 7.683 Y35H-N 127.13 8.582 D36H-N 130.714 7.929 T38H-N 110.411 8.961 I39H-N 120.299 6.889 E40H-N 129.792 8.537 N41H-N 125.218 8.404 T42H-N 118.453 7.921 F43H-N 127.717 9.299 T44H-N 114.74 8.731 K45H-N 123.463 8.409 L46H-N 129.261 8.291 I47H-N 122.538 9.031 T48H-N 123.464 8.581 V49H-N 127.683 9.217 G51H-N 103.795 8.557 Q52H-N 121.555 7.794 E53H-N 126.939 8.67 Y54H-N 125.747 9.554 H55H-N 124.52 8.979 L56H-N 126.63 8.899 Q57H-N 122.539 8.674 L58H-N 125.635 9.449 V59H-N 125.921 9.331 D60H-N 130.622 8.696 T61H-N 112.828 7.144 A62H-N 122.803 9.172 G63H-N 105.15 7.524 Q64H-N 120.562 7.399 D65H-N 120.409 8.881 E66H-N 118.013 10.778 Y67H-N 119.905 8.573 S68H-N 119.051 7.74 I69H-N 123.707 8.472 F70H-N 128.191 8.808 Y74H-N 122.193 7.884 S75H-N 112.389 7.955 I76H-N 121.175 7.426 D77H-N 120.957 8.352 I78H-N 118.208 7.4 N79H-N 123.329 9.408 N79HD21-ND2 110.923 7.206 N79HD22-ND2 110.923 8.04 G80H-N 104.61 7.148 Y81H-N 118.095 8.308 I82H-N 122.445 8.98 L83H-N 132.429 9.375 V84H-N 124.607 9.067 Y85H-N 124.253 9.269 S86H-N 113.445 9.106 V87H-N 121.622 9.005 T88H-N 111.574 8.432 S89H-N 117.487 7.838 I90H-N 134.187 9.154 K91H-N 122.759 8.582 S92H-N 114.276 8.316 F93H-N 131.084 7.771 E94H-N 119.725 8.462 V95H-N 118.366 8.74 I96H-N 122.892 7.832 K97H-N 121.24 7.117 V98H-N 121.835 7.223 I99H-N 121.97 8.776 H100H-N 118.195 8.158 G101H-N 104.389 7.378 K102H-N 121.967 7.753 L103H-N 123.55 8.312 D105H-N 119.553 7.558 M106H-N 119.243 7.532 V107H-N 114.323 8.22 G108H-N 110.369 7.985 K109H-N 121.527 8.396 V110H-N 119.77 7.567 Q111H-N 124.36 8.408 Q111HE21-NE2 113.058 7.664 Q111HE22-NE2 113.058 6.903 I112H-N 122.758 7.96 I114H-N 124.902 8.449 M115H-N 125.439 8.485 L116H-N 130.669 9.173 V117H-N 126.275 9.208 G118H-N 113.136 7.877 N119H-N 123.924 8.969 K120H-N 111.862 7.188 K121H-N 116.078 8.511 D122H-N 116.739 8.608 L123H-N 124.957 7.708 H124H-N 120.5 7.547 M125H-N 117.724 8.58 E126H-N 118.263 7.694 R127H-N 121.221 6.985 R127HE-NE 90.592 7.4 V128H-N 120.453 9.162 I129H-N 124.342 7.585 S130H-N 123.725 8.988 Y131H-N 127.811 9.384 E132H-N 116.696 8.859 E133H-N 121.597 7.938 G134H-N 109.18 7.215 K135H-N 123.025 7.62 A136H-N 119.728 7.796 L137H-N 122.232 7.06 A138H-N 121.748 7.77 E139H-N 118.671 8.608 S140H-N 118.804 7.752 W141H-N 123.282 7.444 W141HE1-NE1 127.418 9.411 N142H-N 118.036 8.277 N142HD21-ND2 113.238 7.646 N142HD22-ND2 113.238 6.864 A143H-N 120.869 8.441 A144H-N 123.462 7.912 F145H-N 120.264 8.094 L146H-N 128.648 7.664 E147H-N 115.198 7.735 S148H-N 115.635 9.19 S149H-N 113.117 8.546 A150H-N 132.782 9.596 K151H-N 113.992 7.533 E152H-N 120.568 7.749 Q154H-N 116.577 9.444 T155H-N 108.256 7.452 A156H-N 126.099 7.211 V157H-N 117.881 8.308 D158H-N 118.453 8.026 V159H-N 119.948 7.258 F160H-N 116.362 6.775 R161H-N 118.103 8.582 R162H-N 117.661 7.911 I163H-N 119.028 7.591 I164H-N 124.386 6.958 L165H-N 121.353 7.894 E166H-N 120.121 8.511 A167H-N 123.285 8.221 E168H-N 118.421 8.201 K169H-N 120.624 7.737 I170H-N 120.387 7.691 D171H-N 122.538 8.326 G172H-N 108.962 8.193 A173H-N 124.736 7.991 A174H-N 114.853 8.182