Assignment w1 w2 T3H-N 116.643 7.887 V4H-N 125.765 9.099 V5H-N 127.169 8.733 I6H-N 127.482 9.169 V7H-N 129.169 9.247 V8H-N 125.294 8.712 S9H-N 117.861 7.97 R10H-N 124.794 9.29 D11H-N 119.923 8.147 E12H-N 127.669 9.132 R13H-N 119.419 8.306 I14H-N 119.098 7.323 L15H-N 117.551 7.479 E16H-N 117.982 8.058 E17H-N 119.767 8.198 L18H-N 120.282 8.488 L19H-N 123.368 8.049 E20H-N 117.752 7.472 V21H-N 117.52 7.376 V22H-N 120.357 7.695 L23H-N 118.499 8.257 K24H-N 115.172 7.812 S25H-N 116.115 7.706 D26H-N 117.982 7.966 N28H-N 116.192 8.776 N28HD21-ND2 115.453 8.059 N28HD22-ND2 115.453 7.065 V29H-N 121.395 7.383 K30H-N 128.857 8.556 T31H-N 114.611 8.107 V32H-N 119.919 8.652 R33H-N 130.169 9.006 T34H-N 122.055 8.116 D35H-N 122.246 8.227 D36H-N 122.449 8.35 K37H-N 126.732 8.969 E38H-N 118.247 8.237 K39H-N 122.132 7.436 V40H-N 117.892 7.954 K41H-N 117.255 7.567 E42H-N 119.022 7.685 E43H-N 117.96 8.248 I44H-N 122.705 8.64 E45H-N 120.666 8.255 K46H-N 117.732 7.831 A47H-N 122.069 8.104 R48H-N 119.426 8.653 K49H-N 119.664 8.175 Q50H-N 115.312 7.913 Q50HE21-NE2 110.914 7.48 Q50HE22-NE2 110.914 6.87 G51H-N 109.857 8.06 R52H-N 118.544 7.877 I54H-N 115.6 7.913 V55H-N 125.754 8.53 I56H-N 127.107 9.101 F57H-N 125.232 9.151 I58H-N 124.688 9.132 R59H-N 127.073 8.76 G60H-N 109.869 8.237 A61H-N 120.669 7.176 T62H-N 110.086 7.379 E63H-N 121.52 9.306 E64H-N 117.583 8.603 V65H-N 120.36 7.349 V66H-N 117.847 7.975 R67H-N 117.583 8.492 D68H-N 118.639 7.873 I69H-N 118.544 7.92 V70H-N 119.794 8.442 E71H-N 118.731 8.568 Y72H-N 120.094 7.947 A73H-N 119.677 8.329 Q74H-N 115.733 8.631 Q74HE21-NE2 110.226 7.274 Q74HE22-NE2 110.226 6.73 K75H-N 123.164 8.316 E76H-N 116.834 7.364 G77H-N 106.707 7.822 L78H-N 120.258 7.673 R79H-N 121.839 8.193 V80H-N 123.292 8.464 L81H-N 128.794 8.701 V82H-N 121.48 8.618 I83H-N 127.934 9.381 M84H-N 125.044 8.606 V85H-N 122.705 8.435 D86H-N 127.294 8.416 Q87H-N 118.881 8.495 Q87HE21-NE2 112.533 7.675 Q87HE22-NE2 112.533 6.953 D88H-N 120.601 8.874 Q89H-N 123.081 8.449 Q89HE21-NE2 111.554 7.636 Q89HE22-NE2 111.554 6.639 E90H-N 119.691 8.488 E91H-N 120.363 7.945 L92H-N 117.714 7.907 R94H-N 118.716 7.742 I95H-N 119.875 8.077 Y96H-N 119.797 8.504 E97H-N 117.269 8.132 L99H-N 118.227 8.223 K100H-N 119.327 8.253 K101H-N 121.607 7.81 D102H-N 118.435 7.675 G103H-N 107.741 7.961 V104H-N 121.919 7.763 D105H-N 127.794 8.643 V106H-N 123.919 7.559 R107H-N 126.485 8.728 V108H-N 118.237 8.636 T109H-N 117.25 8.469 D110H-N 122.494 8.126 N111H-N 119.174 8.366 N111HD21-ND2 114.806 7.891 N111HD22-ND2 114.806 7.189 D113H-N 120.399 8.138 E114H-N 121.676 8.321 A115H-N 121.169 8.188 K116H-N 116.357 8.018 K117H-N 119.419 7.639 R118H-N 117.492 8.713 L119H-N 120.419 8.565 K120H-N 118.483 7.858 E121H-N 117.661 7.84 L122H-N 119.758 8.207 L123H-N 119.315 8.427 E124H-N 117.544 7.949 K125H-N 117.377 7.569 V126H-N 118.69 8.108 L127H-N 119.549 8.173 E128H-N 119.732 7.853 H129H-N 118.527 8.066 H131H-N 125.732 7.917