Assignment w1 w2 S1H-N 116.226 8.113 D2H-N 125.26 9.078 V3H-N 123.482 8.608 L4H-N 130.918 9.085 E5H-N 125.342 8.635 L6H-N 127.078 8.526 T7H-N 110.157 8.866 D8H-N 118.984 8.841 D9H-N 115.512 7.919 N10H-N 115.597 7.538 N10HD21-ND2 106.917 7.323 N10HD22-ND2 106.917 6.404 F11H-N 123.122 8.509 E12H-N 114.781 8.557 S13H-N 112.931 7.895 R14H-N 119.467 7.833 R14HE-NE 119.929 7.379 I15H-N 116.303 7.783 S16H-N 112.323 7.003 D17H-N 124.615 7.51 T18H-N 111.639 7.853 G19H-N 109.291 8.261 S20H-N 117.581 8.539 A21H-N 122.633 8.42 G22H-N 104.943 7.857 L23H-N 118.489 7.316 M24H-N 119.652 8.737 L25H-N 127.666 7.879 V26H-N 125.184 9.19 E27H-N 126.586 8.241 F28H-N 129.657 9.792 F29H-N 122.311 8.977 A30H-N 118.132 6.052 G34H-N 110.954 8.324 C36H-N 117.235 8.694 K37H-N 123.624 8.028 R38H-N 117.486 7.483 L39H-N 117.16 7.313 A40H-N 120.672 7.208 E42H-N 117.419 6.962 Y43H-N 123.302 8.444 E44H-N 114.714 8.135 A45H-N 120.148 7.246 A46H-N 120.387 8.242 A47H-N 119.681 8.058 T48H-N 116.071 7.781 R49H-N 120.889 7.793 L50H-N 117.825 7.81 K51H-N 125.231 7.104 G52H-N 115.98 9.131 I53H-N 121.029 8.535 V54H-N 117.514 7.991 L56H-N 126.055 8.49 A57H-N 121.385 9.138 K58H-N 121.385 9.14 V59H-N 119.477 8.734 D60H-N 125.486 9.074 C61H-N 126.364 8.938 T62H-N 113.199 8.764 A63H-N 122.41 6.503 N64H-N 119.241 7.391 T65H-N 113.772 7.663 N66H-N 121.28 9.296 N66HD21-ND2 113.74 7.532 N66HD22-ND2 113.74 6.926 T67H-N 119.524 8.787 C68H-N 116.516 7.362 N69H-N 117.71 8.407 N69HD21-ND2 111.909 7.568 N69HD22-ND2 111.909 6.827 K70H-N 123.246 7.864 Y71H-N 112.648 6.754 G72H-N 108.176 7.459 V73H-N 119.638 7.654 S74H-N 123.733 8.852 G75H-N 109.775 7.213 Y76H-N 117.706 8.365 T78H-N 118.212 8.954 L79H-N 131.468 9.498 K80H-N 122.597 9.294 I81H-N 122.626 8.708 F82H-N 126.768 9.18 R83H-N 122.283 9.083 R83HE-NE 120.445 7.295 D84H-N 128.0 9.409 G85H-N 103.006 8.967 E86H-N 118.981 7.867 E87H-N 125.18 8.97 A88H-N 130.401 9.094 G89H-N 106.886 7.605 A90H-N 121.338 8.413 Y91H-N 120.164 8.084 D92H-N 130.543 8.444 R95H-N 127.788 9.251 R95HE-NE 118.153 7.583 T96H-N 107.28 7.484 A97H-N 126.537 10.038 D98H-N 114.331 8.608 G99H-N 109.492 8.253 I100H-N 123.762 8.456 V101H-N 117.513 8.373 S102H-N 112.104 7.983 H103H-N 120.115 8.264 L104H-N 118.463 8.459 K105H-N 118.458 8.447 K106H-N 117.803 7.21 Q107H-N 117.268 7.597 Q107HE21-NE2 110.944 7.025 Q107HE22-NE2 110.944 6.62 A108H-N 121.155 7.813 G109H-N 106.623 7.618 A111H-N 123.935 8.302 S112H-N 115.572 8.159 V113H-N 125.24 7.606