Assignment w1 w2 K3H-N 123.835 8.592 R4H-N 125.046 8.622 K6H-N 123.271 8.509 G8H-N 109.747 8.531 G9H-N 108.749 8.313 W10H-N 120.836 8.125 W10HE1-NE1 129.406 10.109 N11H-N 120.615 8.301 N11HD21-ND2 112.84 7.487 N11HD22-ND2 112.84 6.861 T12H-N 113.664 8.072 G13H-N 111.161 8.487 G14H-N 108.884 8.294 S15H-N 115.661 8.275 R16H-N 122.819 8.374 Y17H-N 121.422 8.151 G19H-N 109.44 8.257 Q20H-N 120.008 8.189 Q20HE21-NE2 112.456 7.549 Q20HE22-NE2 112.456 6.867 G21H-N 110.698 8.594 S22H-N 116.792 8.259 G24H-N 109.511 8.515 G25H-N 108.519 8.226 N26H-N 118.61 8.383 N26HD21-ND2 112.885 7.558 N26HD22-ND2 112.885 6.938 R27H-N 121.258 8.279 Y28H-N 121.038 8.174 Q31H-N 120.417 8.587 Q31HE21-NE2 112.982 7.525 Q31HE22-NE2 112.982 6.893 G32H-N 110.321 8.473 G33H-N 108.653 8.345 G34H-N 108.653 8.345 G35H-N 108.519 8.226 W36H-N 120.889 8.096 W36HE1-NE1 129.326 10.066 G37H-N 110.785 8.337 Q38H-N 120.136 8.023 Q38HE21-NE2 112.673 7.51 Q38HE22-NE2 112.673 6.87 H40H-N 119.366 8.352 G41H-N 110.441 8.376 G42H-N 108.653 8.345 G43H-N 108.519 8.226 W44H-N 120.889 8.096 W44HE1-NE1 129.326 10.066 G45H-N 110.785 8.337 Q46H-N 120.136 8.023 Q46HE21-NE2 112.673 7.51 Q46HE22-NE2 112.673 6.87 H48H-N 119.366 8.352 G49H-N 110.441 8.376 G50H-N 108.653 8.345 G51H-N 108.519 8.226 W52H-N 120.889 8.096 W52HE1-NE1 129.326 10.066 G53H-N 110.785 8.337 Q54H-N 120.136 8.023 Q54HE21-NE2 112.673 7.51 Q54HE22-NE2 112.673 6.87 H56H-N 119.366 8.352 G57H-N 110.441 8.376 G58H-N 108.653 8.345 G59H-N 108.519 8.226 W60H-N 120.889 8.096 W60HE1-NE1 129.326 10.066 G61H-N 110.785 8.337 Q62H-N 120.136 8.023 Q62HE21-NE2 112.673 7.51 Q62HE22-NE2 112.673 6.87 H64H-N 119.366 8.352 G65H-N 110.441 8.376 G66H-N 108.653 8.345 G67H-N 108.519 8.226 W68H-N 120.889 8.096 W68HE1-NE1 129.326 10.066 G69H-N 110.885 8.358 Q70H-N 119.564 8.187 Q70HE21-NE2 112.253 7.474 Q70HE22-NE2 112.253 6.819 G71H-N 110.095 8.535 G73H-N 108.627 8.314 T74H-N 113.515 8.159 H75H-N 121.595 8.379 S76H-N 116.851 8.223 Q77H-N 121.961 8.529 Q77HE21-NE2 112.664 7.394 Q77HE22-NE2 112.664 6.87 W78H-N 121.235 8.051 W78HE1-NE1 129.673 10.16 N79H-N 120.25 8.053 N79HD21-ND2 112.735 7.481 N79HD22-ND2 112.735 6.867 K80H-N 122.646 8.036 S82H-N 117.123 8.524 K83H-N 124.391 8.433 K85H-N 122.365 8.624 T86H-N 115.585 8.245 N87H-N 121.361 8.625 N87HD21-ND2 112.976 7.662 N87HD22-ND2 112.976 6.945 M88H-N 121.436 8.443 K89H-N 122.525 8.391 H90H-N 120.858 8.359 M91H-N 122.581 8.274 A92H-N 125.567 8.406 G93H-N 108.655 8.466 A94H-N 123.941 8.182 A95H-N 123.339 8.366 A96H-N 123.459 8.269 A97H-N 123.45 8.313 G98H-N 108.214 8.364 A99H-N 123.666 8.085 V100H-N 120.335 8.239 V101H-N 125.721 8.415 G102H-N 113.497 8.627 G103H-N 108.466 8.294 L104H-N 121.727 8.374 G105H-N 109.7 8.575 G106H-N 108.519 8.226 Y107H-N 120.211 8.095 M108H-N 122.413 8.32 L109H-N 123.518 8.212 G110H-N 110.345 8.52 S111H-N 115.663 8.206 A112H-N 125.751 8.484 M113H-N 118.56 8.262 S114H-N 116.951 8.239 R115H-N 123.891 8.294 I117H-N 122.131 8.358 I118H-N 125.887 8.231 H119H-N 124.594 8.46 F120H-N 123.227 8.453 G121H-N 111.462 8.425 S122H-N 115.825 8.286 D123H-N 127.551 8.183