Assignment w1 w2 N2H-N 112.969 7.603 T3H-N 115.084 8.243 I4H-N 124.642 8.078 H6H-N 117.425 7.541 Y7H-N 122.42 8.707 W9H-N 128.947 10.206 W9HE1-NE1 128.4 10.431 F10H-N 114.057 8.053 S11H-N 118.182 8.243 G12H-N 110.327 9.255 I13H-N 117.179 9.151 T14H-N 127.173 9.302 Q15H-N 128.441 8.749 Q15HE21-NE2 111.884 6.476 Q15HE22-NE2 111.884 7.493 F16H-N 122.54 8.769 Q17H-N 121.821 6.963 Q17HE21-NE2 111.21 7.159 Q17HE22-NE2 111.21 7.519 K18H-N 125.626 8.687 R20H-N 117.344 6.794 F22H-N 125.693 8.548 F24H-N 116.917 6.079 S25H-N 118.883 9.407 D26H-N 121.573 8.565 G27H-N 115.09 9.159 Q28H-N 119.417 8.375 Q28HE21-NE2 111.349 7.395 Q28HE22-NE2 111.349 6.795 G29H-N 101.115 7.915 V30H-N 121.503 7.521 I32H-N 118.036 7.559 A33H-N 129.847 8.26 F34H-N 124.968 8.8 G35H-N 113.273 8.382 V36H-N 122.457 7.285 S39H-N 107.927 7.605 E40H-N 118.099 7.98 A41H-N 124.74 7.48 K42H-N 119.332 8.22 G43H-N 109.481 9.958 Y44H-N 118.309 8.512 W45H-N 120.341 9.405 W45HE1-NE1 132.547 10.914 Y46H-N 125.84 10.427 R47H-N 131.224 8.01 H48H-N 129.514 9.225 S49H-N 120.093 8.267 R50H-N 123.192 8.638 R51H-N 121.58 8.378 S52H-N 116.344 8.373 F53H-N 121.237 8.474 K54H-N 122.472 8.351 T55H-N 115.136 8.472 A56H-N 124.511 8.798 D57H-N 115.17 8.087 G58H-N 108.228 8.124 Q59H-N 119.337 7.859 Q59HE21-NE2 113.243 6.832 Q59HE22-NE2 113.243 7.682 Q60H-N 121.064 8.506 Q60HE21-NE2 111.873 7.483 Q60HE22-NE2 111.873 6.812 K61H-N 124.676 8.625 Q62H-N 121.917 8.47 Q62HE21-NE2 112.538 7.563 Q62HE22-NE2 112.538 6.852 L63H-N 124.993 8.342 L64H-N 123.594 8.403 R66H-N 118.417 7.924 W67H-N 125.901 9.701 W67HE1-NE1 128.112 10.321 Y68H-N 119.102 9.487 F69H-N 123.234 9.163 Y70H-N 128.377 8.059 Y71H-N 117.556 6.869 L72H-N 125.259 8.934 G73H-N 115.552 9.909 T74H-N 110.36 8.331 G75H-N 106.88 8.985 Y77H-N 115.775 7.721 A78H-N 122.728 6.764 N79H-N 109.72 8.234 N79HD21-ND2 112.685 7.571 N79HD22-ND2 112.685 6.886 A80H-N 123.509 7.453 S81H-N 118.439 8.759 Y82H-N 122.087 8.493 G83H-N 112.449 3.044 E84H-N 122.179 7.107 S85H-N 120.482 8.665 L86H-N 131.451 8.348 E87H-N 123.711 8.537 G88H-N 113.758 9.235 V89H-N 116.095 7.245 F90H-N 129.703 9.654 W91H-N 131.537 7.743 W91HE1-NE1 131.267 10.92 V92H-N 115.565 9.362 A93H-N 118.715 8.813 N94H-N 120.154 8.271 N94HD21-ND2 113.365 7.162 N94HD22-ND2 113.365 7.853 H95H-N 124.493 9.205 Q96H-N 115.771 8.918 Q96HE21-NE2 112.154 7.521 Q96HE22-NE2 112.154 6.863 A97H-N 122.266 7.657 D98H-N 121.773 9.026 T99H-N 115.14 8.199 S100H-N 115.396 8.44 T101H-N 113.137 7.11 S103H-N 115.973 8.179 D104H-N 127.958 9.431 V105H-N 117.677 7.35 S106H-N 120.61 8.365 S107H-N 117.784 8.758 R108H-N 125.717 7.93 D109H-N 126.221 8.512 T111H-N 111.257 7.994 T112H-N 108.661 7.15 Q113H-N 122.206 8.086 Q113HE21-NE2 112.248 6.917 Q113HE22-NE2 112.248 7.741 E114H-N 124.853 8.536 A115H-N 122.544 8.441 I116H-N 126.656 9.614 T118H-N 126.956 8.624 R119H-N 130.235 8.934 F120H-N 117.414 8.583 T124H-N 117.241 7.477 I125H-N 129.486 8.171 L126H-N 132.302 8.584 Q128H-N 124.251 8.214 Q128HE21-NE2 112.543 7.606 Q128HE22-NE2 112.543 6.905 G129H-N 109.235 8.97 Y130H-N 118.137 7.245 Y131H-N 119.564 9.289 V132H-N 124.047 8.797 E133H-N 128.524 8.909 G134H-N 112.235 8.993 S135H-N 114.598 8.222 G136H-N 111.06 8.658 R137H-N 120.806 8.169 S138H-N 122.619 7.974