Assignment w1 w2 D3H-N 119.181 8.091 D4H-N 122.108 7.845 S6H-N 115.787 8.188 A7H-N 125.621 7.638 A8H-N 122.103 7.787 D9H-N 119.219 7.922 R10H-N 121.967 8.0 N11H-N 117.836 8.037 N11HD21-ND2 113.774 7.011 N11HD22-ND2 113.774 7.517 V12H-N 122.409 7.69 E13H-N 120.658 7.656 I14H-N 120.771 7.687 W15H-N 120.814 7.692 W15HE1-NE1 129.683 9.893 K16H-N 119.482 7.852 I17H-N 120.493 7.485 K18H-N 121.146 8.124 K19H-N 119.139 7.465 L20H-N 122.98 7.434 I21H-N 119.637 8.323 K22H-N 117.677 7.219 S23H-N 115.708 7.612 L24H-N 121.115 7.905 E25H-N 119.849 8.141 A26H-N 118.587 7.011 A27H-N 121.392 6.778 R28H-N 124.248 8.729 G29H-N 109.074 7.885 N30H-N 119.621 8.324 N30HD22-ND2 112.736 7.243 G31H-N 110.519 7.973 T32H-N 113.543 7.832 S33H-N 115.324 7.54 M34H-N 121.29 8.449 I35H-N 126.81 9.446 S36H-N 122.833 8.549 L37H-N 128.137 8.542 I38H-N 126.543 8.947 I39H-N 129.738 8.988 K42H-N 113.327 7.904 D43H-N 121.445 7.205 Q44H-N 117.453 9.144 Q44HE22-NE2 113.366 7.181 I45H-N 126.951 8.665 S46H-N 113.533 8.351 R47H-N 124.278 6.708 V48H-N 122.069 7.181 A49H-N 121.917 8.645 K50H-N 120.365 7.308 M51H-N 121.881 7.53 L52H-N 120.456 8.182 A53H-N 123.141 7.66 D54H-N 122.138 8.104 Q55H-N 120.528 8.044 F56H-N 123.245 8.549 G57H-N 106.799 7.871 T58H-N 118.648 7.916 A59H-N 126.374 8.199 S60H-N 112.301 7.377 N61H-N 116.986 7.269 N61HD21-ND2 114.661 6.865 N61HD22-ND2 114.661 7.268 I62H-N 123.823 7.353 K63H-N 128.921 8.298 S64H-N 114.291 7.493 R65H-N 131.672 8.572 V66H-N 116.766 7.823 N67H-N 119.541 7.283 N67HD22-ND2 111.693 7.324 R68H-N 122.027 8.415 L69H-N 116.623 8.029 S70H-N 116.631 7.527 V71H-N 124.538 7.897 L72H-N 118.498 8.266 G73H-N 106.601 7.932 A74H-N 127.256 7.622 I75H-N 119.402 8.528 T76H-N 115.787 8.189 S77H-N 118.438 7.692 V78H-N 124.128 8.032 Q79H-N 119.563 8.563 Q80H-N 116.756 7.771 Q80HE22-NE2 112.634 7.133 R81H-N 118.991 7.421 L82H-N 117.296 8.042 K83H-N 115.0 6.973 L84H-N 117.635 7.166 Y85H-N 119.514 7.547 N86H-N 119.323 8.528 N86HD22-ND2 113.463 7.372 K87H-N 116.166 7.532 V88H-N 125.11 8.252 N91H-N 112.597 8.994 N91HD21-ND2 107.349 5.884 N91HD22-ND2 107.349 5.884 G92H-N 108.681 7.707 L93H-N 117.295 8.46 V94H-N 126.28 7.963 V95H-N 125.189 8.439 Y96H-N 123.507 8.463 C97H-N 119.848 8.437 G98H-N 112.556 8.7 T99H-N 118.753 7.921 I100H-N 122.189 8.706 V101H-N 120.539 8.212 T102H-N 118.651 8.77 E103H-N 121.812 9.124 E104H-N 115.809 7.612 G105H-N 108.822 7.949 K106H-N 119.483 6.838 E107H-N 121.664 8.258 K108H-N 124.521 8.785 K109H-N 125.183 8.444 V110H-N 123.978 8.716 N111H-N 125.873 8.569 N111HD22-ND2 111.829 7.308 I112H-N 125.462 8.794 D113H-N 122.633 8.025 F114H-N 115.564 8.506 E115H-N 124.172 8.433 F117H-N 116.45 7.524 K118H-N 120.375 6.725 I120H-N 122.268 7.464 N121H-N 121.917 8.0 N121HD21-ND2 112.936 6.47 N121HD22-ND2 112.936 7.242 T122H-N 115.126 6.834 S123H-N 116.43 7.706 L124H-N 127.0 8.317 Y125H-N 125.78 8.071 L126H-N 128.244 8.038 C127H-N 123.926 8.164 D128H-N 127.559 8.991 N129H-N 119.184 8.985 N129HD21-ND2 110.551 7.145 N129HD22-ND2 110.551 7.145 K130H-N 113.846 6.984 F131H-N 121.139 9.313 H132H-N 120.875 8.762 T133H-N 118.102 8.615 E134H-N 128.414 10.131 A135H-N 122.021 8.924 L136H-N 116.296 7.369 T137H-N 117.446 7.823 A138H-N 123.451 7.655 L139H-N 119.516 7.282 L140H-N 117.539 7.639 S141H-N 115.496 7.608 D142H-N 121.853 7.905