Assignment w1 w2 G3H-N 114.653 8.382 E4H-N 121.678 8.164 D5H-N 121.204 8.368 D6H-N 121.349 8.113 E7H-N 121.865 8.234 E8H-N 122.876 8.352 D9H-N 122.934 8.32 D10H-N 122.375 8.27 D11H-N 121.827 8.11 F12H-N 121.108 8.174 N13H-N 122.476 8.276 N13HD21-ND2 113.967 7.536 N13HD22-ND2 113.967 6.88 E14H-N 123.349 8.457 N15H-N 120.912 8.457 N15HD21-ND2 114.315 7.558 N15HD22-ND2 114.315 6.915 D16H-N 122.782 8.352 E17H-N 121.576 8.264 D18H-N 122.627 8.275 D19H-N 126.977 7.867 A4H-N 125.987 8.225 T5H-N 113.664 8.113 S6H-N 118.317 8.263 S7H-N 118.231 8.341 E8H-N 124.927 8.031 E9H-N 126.954 8.564 V10H-N 125.986 8.406 L11H-N 129.176 9.524 L12H-N 120.496 7.663 I13H-N 126.357 8.048 V14H-N 129.229 9.227 K15H-N 126.527 8.593 K16H-N 117.28 8.661 V17H-N 122.835 8.36 R18H-N 131.308 9.914 Q19H-N 124.555 8.209 Q19HE21-NE2 111.571 6.633 Q19HE22-NE2 111.571 5.845 K20H-N 128.37 9.498 K21H-N 111.14 8.831 Q22H-N 120.267 7.733 Q22HE21-NE2 113.174 7.644 Q22HE22-NE2 113.174 6.95 D23H-N 124.577 8.802 G24H-N 113.436 7.835 A25H-N 123.026 7.831 L26H-N 124.834 9.012 Y27H-N 126.585 9.62 L28H-N 126.038 9.273 M29H-N 123.693 8.867 A30H-N 122.521 8.031 E31H-N 109.144 8.625 R32H-N 117.179 6.59 I33H-N 118.98 8.266 A34H-N 130.028 9.229 W35H-N 121.492 8.772 W35HE1-NE1 129.694 9.954 A36H-N 131.219 8.065 E38H-N 124.047 8.427 G39H-N 114.239 8.651 K40H-N 120.261 7.637 D41H-N 120.49 8.2 R42H-N 116.95 6.854 F43H-N 120.263 7.873 T44H-N 114.8 8.668 I45H-N 124.061 7.867 S46H-N 120.651 8.064 H47H-N 125.898 9.019 M48H-N 124.775 9.24 Y49H-N 125.41 7.771 A50H-N 119.752 8.794 D51H-N 115.967 7.844 I52H-N 125.352 7.676 K53H-N 129.126 9.139 C54H-N 111.159 7.836 Q55H-N 116.878 8.302 Q55HE21-NE2 105.103 7.037 Q55HE22-NE2 105.103 6.432 K56H-N 121.449 9.27 I57H-N 118.452 8.737 S58H-N 121.072 7.694 E60H-N 124.233 8.787 G61H-N 111.922 8.643 K62H-N 120.505 7.249 A63H-N 127.111 8.587 K64H-N 117.537 7.759 I65H-N 127.842 8.985 Q66H-N 126.772 8.77 Q66HE21-NE2 112.991 7.606 Q66HE22-NE2 112.991 7.147 L67H-N 126.472 9.22 Q68H-N 128.508 9.639 Q68HE21-NE2 111.154 7.43 Q68HE22-NE2 111.154 6.302 L69H-N 124.998 9.048 V70H-N 123.929 8.398 L71H-N 129.219 8.774 H72H-N 122.895 8.141 A73H-N 119.074 8.492 G74H-N 106.137 7.665 D75H-N 119.537 7.796 T76H-N 110.651 8.082 T77H-N 119.861 8.405 N78H-N 126.865 8.709 N78HD21-ND2 111.617 7.147 N78HD22-ND2 111.617 6.766 F79H-N 122.147 9.117 H80H-N 124.167 9.044 F81H-N 132.199 9.173 S82H-N 121.268 7.892 N83H-N 125.583 9.163 N83HD21-ND2 117.155 8.358 N83HD22-ND2 117.155 6.852 E84H-N 127.651 8.741 S85H-N 113.283 8.632 T86H-N 109.842 7.352 A87H-N 126.564 7.67 V88H-N 116.514 8.261 K89H-N 120.93 7.581 E90H-N 122.354 8.487 R91H-N 121.199 8.27 D92H-N 120.761 8.276 A93H-N 124.239 7.787 V94H-N 120.692 7.936 K95H-N 122.415 8.736 D96H-N 120.932 8.553 L97H-N 122.407 7.598 L98H-N 120.882 8.909 Q99H-N 118.249 8.383 Q99HE21-NE2 112.644 7.467 Q99HE22-NE2 112.644 6.888 Q100H-N 116.057 7.271 Q100HE21-NE2 113.07 7.286 Q100HE22-NE2 113.07 6.777 L101H-N 121.906 8.169 L102H-N 118.604 8.725 K104H-N 117.13 7.156 F105H-N 116.545 7.418 K106H-N 122.122 7.099 R107H-N 126.173 8.654 K108H-N 124.764 8.43 A109H-N 127.334 8.353 N110H-N 124.405 7.934 N110HD21-ND2 113.752 7.476 N110HD22-ND2 113.752 6.767