Assignment w1 w2 S3H-N 121.907 9.855 D6H-N 118.496 8.199 K7H-N 118.779 8.066 T8H-N 115.941 8.04 N9H-N 121.249 8.431 V10H-N 119.653 8.492 K11H-N 118.608 8.027 A12H-N 121.859 8.247 A13H-N 120.871 8.276 W14H-N 117.681 9.104 W14HE1-NE1 129.654 10.418 G15H-N 105.952 8.036 K16H-N 119.99 7.333 V17H-N 121.012 7.515 G18H-N 102.927 7.202 H20H-N 115.262 7.775 A21H-N 121.98 7.026 G22H-N 104.309 8.487 E23H-N 124.174 7.747 Y24H-N 120.893 8.012 G25H-N 107.738 8.843 A26H-N 121.351 7.772 E27H-N 119.488 7.903 A28H-N 121.871 8.371 L29H-N 115.704 7.076 E30H-N 118.191 7.838 R31H-N 116.389 8.711 M32H-N 123.049 7.981 F33H-N 118.363 8.427 L34H-N 114.109 7.683 S35H-N 112.887 7.983 F36H-N 117.621 8.381 T38H-N 113.016 8.376 T39H-N 115.055 8.885 K40H-N 118.342 7.791 T41H-N 111.203 7.833 Y42H-N 116.894 7.512 F43H-N 116.967 7.835 H45H-N 116.698 9.554 F46H-N 122.647 7.501 D47H-N 119.257 7.93 L48H-N 128.099 8.528 S49H-N 117.233 8.194 G51H-N 116.049 9.002 S52H-N 114.415 7.433 A53H-N 131.667 9.088 Q54H-N 120.096 8.298 Q54HE21-NE2 113.068 6.645 Q54HE22-NE2 113.068 7.27 V55H-N 121.775 7.54 K56H-N 120.062 7.735 G57H-N 106.072 8.256 H58H-N 124.485 8.185 G59H-N 105.531 8.556 K60H-N 120.115 7.072 K61H-N 118.339 6.982 V62H-N 120.323 7.751 A63H-N 120.978 8.145 D64H-N 119.821 8.913 A65H-N 124.579 8.331 L66H-N 119.336 8.482 T67H-N 118.175 9.123 N68H-N 121.266 8.118 N68HD21-ND2 112.723 6.917 N68HD22-ND2 112.723 7.782 A69H-N 123.259 8.562 V70H-N 116.721 8.257 A71H-N 120.193 7.721 H72H-N 116.005 7.699 V73H-N 119.79 6.665 D74H-N 119.56 8.242 D75H-N 122.432 8.351 M76H-N 121.791 8.672 N78H-N 113.172 7.461 N78HD21-ND2 115.698 6.912 N78HD22-ND2 115.698 8.46 A79H-N 121.971 7.904 L80H-N 113.63 8.091 S81H-N 116.611 7.102 L83H-N 117.731 7.506 S84H-N 121.307 8.238 D85H-N 121.403 7.622 L86H-N 116.255 7.072 H87H-N 112.288 7.238 H87HD1-ND1 163.386 9.433 H89H-N 114.928 7.216 K90H-N 117.273 7.43 R92H-N 111.608 6.488 V93H-N 115.834 7.486 D94H-N 129.626 7.674 V96H-N 120.185 8.97 N97H-N 116.564 8.343 F98H-N 118.456 7.9 K99H-N 121.173 7.475 L100H-N 119.418 7.359 L101H-N 120.829 8.197 S102H-N 114.839 8.379 H103H-N 119.663 7.806 H103HE2-ND1 163.856 12.08 C104H-N 114.982 7.882 L105H-N 125.054 8.904 V107H-N 117.605 8.224 T108H-N 114.891 7.164 L109H-N 120.418 8.028 A110H-N 121.784 7.878 A111H-N 113.28 7.423 H112H-N 112.348 7.23 L113H-N 121.163 8.246 A115H-N 118.796 8.308 E116H-N 113.865 7.739 F117H-N 122.853 7.63 T118H-N 114.809 7.885 A120H-N 116.163 8.36 V121H-N 119.866 7.28 H122H-N 121.647 8.428 A123H-N 120.213 7.971 S124H-N 115.409 8.103 L125H-N 121.332 9.15 D126H-N 120.637 8.648 K127H-N 118.245 7.955 F128H-N 122.132 8.892 L129H-N 120.943 8.983 A130H-N 125.565 8.558 S131H-N 118.251 8.194 V132H-N 122.863 8.224 S133H-N 115.171 8.2 T134H-N 119.594 8.108 V135H-N 122.485 7.432 L136H-N 109.527 7.681 T137H-N 101.553 6.703 S138H-N 117.966 7.182 R141H-N 125.253 7.341 L3H-N 126.048 8.138 T4H-N 115.319 9.219 E6H-N 117.569 8.719 E7H-N 121.612 7.769 K8H-N 119.141 8.798 S9H-N 115.088 8.186 A10H-N 123.919 7.651 V11H-N 115.746 8.404 T12H-N 115.532 8.403 A13H-N 125.746 8.264 L14H-N 117.083 7.232 W15H-N 119.157 8.159 W15HE1-NE1 127.683 10.118 G16H-N 101.518 7.813 K17H-N 118.173 7.726 V18H-N 121.555 7.247 N19H-N 124.948 8.345 N19HD21-ND2 112.191 7.482 N19HD22-ND2 112.191 6.989 V20H-N 124.178 8.191 D21H-N 119.232 7.949 E22H-N 117.441 7.224 V23H-N 118.284 7.802 G24H-N 108.589 8.59 G25H-N 108.766 7.515 E26H-N 121.951 7.61 A27H-N 119.996 8.053 L28H-N 116.456 7.861 G29H-N 104.306 8.064 R30H-N 116.977 7.921 L31H-N 121.166 7.757 L32H-N 115.477 7.051 V33H-N 116.348 7.494 V34H-N 119.158 8.582 Y35H-N 117.735 7.475 W37H-N 117.401 7.112 W37HE1-NE1 133.634 10.652 T38H-N 117.248 8.213 Q39H-N 118.091 7.751 R40H-N 118.215 7.779 F41H-N 112.422 7.498 F42H-N 116.396 7.594 E43H-N 121.043 7.388 S44H-N 113.22 8.727 F45H-N 122.163 8.578 G46H-N 108.128 7.763 D47H-N 122.418 8.439 L48H-N 128.504 8.401 S49H-N 112.811 8.19 T50H-N 111.489 7.13 D52H-N 114.667 7.958 A53H-N 123.758 7.815 V54H-N 116.672 7.835 M55H-N 111.923 7.923 G56H-N 103.328 7.405 N57H-N 123.465 7.179 K59H-N 119.345 8.12 V60H-N 122.434 7.482 K61H-N 118.639 7.346 A62H-N 120.836 7.854 H63H-N 120.455 8.339 G64H-N 105.417 8.214 K65H-N 120.844 7.098 K66H-N 120.201 6.966 V67H-N 121.046 7.312 L68H-N 119.594 8.198 G69H-N 107.883 8.373 A70H-N 125.146 8.135 F71H-N 118.247 8.532 S72H-N 116.183 9.179 D73H-N 123.788 8.313 G74H-N 108.305 8.591 L75H-N 119.879 8.079 A76H-N 118.691 7.364 H77H-N 118.36 7.659 L78H-N 120.943 7.802 D79H-N 114.595 8.596 N80H-N 119.15 8.105 K82H-N 118.37 8.658 G83H-N 104.045 7.51 T84H-N 118.273 7.577 F85H-N 115.814 7.704 A86H-N 124.988 7.114 T87H-N 114.294 8.4 L88H-N 123.344 7.848 S89H-N 119.729 8.99 E90H-N 120.234 7.548 L91H-N 117.386 7.253 H92H-N 112.027 7.091 H92HD1-ND1 163.539 9.353 C93H-N 114.878 7.91 D94H-N 117.01 7.292 K95H-N 115.242 6.826 L96H-N 114.337 7.253 H97H-N 110.856 6.387 V98H-N 119.491 8.057 D99H-N 130.974 9.297 E101H-N 123.745 9.088 N102H-N 112.413 8.2 F103H-N 117.932 7.61 R104H-N 119.48 7.349 L105H-N 118.552 8.007 L106H-N 118.358 8.243 G107H-N 105.468 8.178 N108H-N 120.515 8.169 V109H-N 123.527 8.966 L110H-N 121.078 8.749 V111H-N 118.598 7.986 C112H-N 117.395 8.104 V113H-N 120.365 8.422 L114H-N 121.042 8.385 A115H-N 121.656 7.428 H116H-N 116.999 7.967 H117H-N 115.765 8.169 F118H-N 114.887 8.368 G119H-N 113.592 8.483 K120H-N 125.03 8.702 E121H-N 116.831 7.805 F122H-N 126.301 8.537 T123H-N 113.32 7.165 V126H-N 120.999 6.916 Q127H-N 119.741 8.295 A128H-N 121.72 8.156 A129H-N 120.077 7.274 Y130H-N 116.203 8.264 Q131H-N 119.142 9.523 K132H-N 121.039 7.618 V133H-N 119.223 7.571 V134H-N 113.878 9.102 A135H-N 124.553 8.118 G136H-N 106.85 8.023 V137H-N 124.249 8.668 A138H-N 121.232 8.358 N139H-N 114.855 8.27 A140H-N 122.549 7.9 L141H-N 120.557 8.117 A142H-N 118.78 7.369 H143H-N 118.257 7.129 K144H-N 115.563 7.053 Y145H-N 118.084 7.77 H146H-N 124.445 7.474