Assignment w1 w2 G3H-N 111.0 8.404 L4H-N 124.977 8.521 R5H-N 125.85 9.604 V6H-N 121.984 8.639 Y7H-N 126.836 9.407 S8H-N 118.34 9.084 T9H-N 113.185 9.668 S10H-N 122.71 8.169 V11H-N 122.058 7.786 T12H-N 119.847 7.975 G13H-N 114.65 8.528 S14H-N 116.776 8.359 R15H-N 130.494 8.998 E16H-N 120.867 8.394 I17H-N 119.822 7.72 K18H-N 116.793 7.395 S19H-N 115.037 8.175 Q20H-N 121.895 8.294 Q20HE21-NE2 107.084 6.38 Q20HE22-NE2 107.084 6.845 Q21H-N 116.406 8.527 Q21HE21-NE2 106.058 7.151 Q21HE22-NE2 106.058 7.33 S22H-N 114.568 7.727 E23H-N 122.829 7.961 V24H-N 116.498 7.651 T25H-N 107.57 7.696 R26H-N 122.626 8.201 I27H-N 121.121 8.165 L28H-N 119.726 8.216 D29H-N 119.113 9.104 G30H-N 109.37 8.298 K31H-N 118.868 7.542 R32H-N 116.204 8.013 I33H-N 120.99 7.945 Q34H-N 127.965 8.543 Q34HE21-NE2 112.339 6.824 Q34HE22-NE2 112.339 7.501 Q36H-N 119.471 8.295 Q36HE21-NE2 111.297 6.799 Q36HE22-NE2 111.297 7.499 L37H-N 129.33 8.913 V38H-N 128.625 8.785 D39H-N 127.36 8.675 I40H-N 119.573 9.508 S41H-N 117.223 8.487 Q42H-N 118.091 7.682 Q42HE21-NE2 112.179 6.797 Q42HE22-NE2 112.179 7.441 D43H-N 116.017 7.064 N44H-N 127.051 9.361 N44HD21-ND2 111.39 6.924 N44HD22-ND2 111.39 7.694 A45H-N 122.622 8.962 L46H-N 118.619 7.766 R47H-N 120.344 7.108 D48H-N 119.594 8.315 E49H-N 124.417 8.072 M50H-N 119.054 7.808 R51H-N 116.056 7.717 A52H-N 123.284 8.103 L53H-N 120.143 8.08 A54H-N 115.739 7.5 G55H-N 106.608 7.339 N56H-N 112.454 7.036 N56HD21-ND2 111.461 7.148 N56HD22-ND2 111.461 7.951 K58H-N 114.565 7.721 A59H-N 122.421 7.387 T60H-N 113.571 8.616 Q63H-N 116.049 7.721 I64H-N 123.028 8.948 V65H-N 125.92 8.968 N66H-N 122.893 9.041 N66HD21-ND2 109.525 6.583 N66HD22-ND2 109.525 7.925 G67H-N 115.383 8.432 D68H-N 126.395 8.618 Q69H-N 117.831 8.143 Q69HE21-NE2 112.607 6.94 Q69HE22-NE2 112.607 7.616 Y70H-N 126.155 9.133 C71H-N 125.532 8.281 G72H-N 102.015 6.685 D73H-N 119.464 7.23 Y74H-N 117.956 8.995 E75H-N 116.549 8.106 L76H-N 118.976 7.921 F77H-N 122.923 8.201 V78H-N 117.405 8.314 E79H-N 120.35 7.186 A80H-N 121.454 7.145 V81H-N 117.95 7.777 E82H-N 120.979 8.147 Q83H-N 114.893 8.108 Q83HE21-NE2 111.873 6.744 Q83HE22-NE2 111.873 7.503 N84H-N 116.258 7.816 N84HD21-ND2 112.371 6.865 N84HD22-ND2 112.371 7.633 T85H-N 109.658 8.898 L86H-N 122.795 7.799 Q87H-N 116.167 8.576 Q87HE21-NE2 110.674 6.703 Q87HE22-NE2 110.674 7.532 E88H-N 119.521 8.341 F89H-N 123.891 8.644 L90H-N 114.241 8.105 K91H-N 112.387 7.657 L92H-N 115.988 7.698 A93H-N 123.057 8.013 L94H-N 121.587 8.143 E95H-N 120.919 8.361