Assignment w1 w2 D3H-N 120.31 8.451 E4H-N 120.806 8.42 E5H-N 122.025 8.36 K6H-N 123.51 8.245 L7H-N 124.996 8.535 G10H-N 111.842 8.71 W11H-N 117.547 7.395 W11HE1-NE1 129.247 10.452 E12H-N 120.435 9.775 K13H-N 124.217 8.831 R14H-N 126.219 8.696 R14HH21-NH2 71.869 6.4 R14HE-NE 83.831 6.961 M15H-N 116.81 8.066 S16H-N 120.868 9.286 R17H-N 130.88 9.295 R17HE-NE 85.521 8.313 S18H-N 112.997 8.648 S19H-N 112.676 7.917 G20H-N 112.396 7.95 R21H-N 119.465 7.608 R21HE-NE 83.731 6.672 V22H-N 124.24 8.47 Y23H-N 122.247 8.657 Y24H-N 116.583 8.904 F25H-N 124.643 9.439 N26H-N 128.97 8.234 N26HD21-ND2 109.403 6.516 N26HD22-ND2 109.403 4.235 H27H-N 120.167 8.012 I28H-N 121.942 8.276 T29H-N 107.883 7.293 N30H-N 118.19 7.955 N30HD21-ND2 112.05 7.42 N30HD22-ND2 112.05 6.732 A31H-N 121.244 7.105 S32H-N 112.703 8.305 Q33H-N 115.931 9.444 Q33HE21-NE2 113.131 7.541 Q33HE22-NE2 113.131 6.62 W34H-N 121.555 8.853 W34HE1-NE1 128.634 9.6 E35H-N 117.091 8.299 R36H-N 125.4 8.457 R36HE-NE 85.41 7.222 S38H-N 115.227 8.051 G39H-N 110.549 8.473 N40H-N 118.648 8.372 S41H-N 116.554 8.379 S42H-N 117.926 8.435 S43H-N 117.589 8.344 G44H-N 110.707 8.39 G45H-N 108.639 8.235 K46H-N 120.857 8.26 N47H-N 119.298 8.529 G48H-N 109.219 8.341 Q49H-N 119.607 8.202 Q49HE21-NE2 112.318 7.561 Q49HE22-NE2 112.318 6.843 G50H-N 110.077 8.429 E51H-N 121.892 8.216 A53H-N 122.921 8.597 R54H-N 115.854 7.733 R54HE-NE 84.234 7.175 V55H-N 114.037 7.893 R56H-N 121.033 8.178 R56HE-NE 84.201 7.583 C57H-N 117.837 7.241 S58H-N 116.32 9.351 H59H-N 120.266 9.706 L60H-N 125.094 8.849 L61H-N 127.074 8.047 V62H-N 128.188 9.491 K63H-N 125.374 9.128 H64H-N 114.04 8.251 S65H-N 113.828 9.51 Q66H-N 120.521 9.184 Q66HE21-NE2 112.282 6.906 Q66HE22-NE2 112.282 7.623 S67H-N 121.424 7.845 R68H-N 122.61 8.154 R68HE-NE 85.34 6.797 R69H-N 118.024 8.566 R69HE-NE 84.933 7.744 S71H-N 121.045 9.047 S72H-N 118.947 8.941 W73H-N 118.887 8.614 W73HE1-NE1 132.458 9.963 R74H-N 117.809 7.022 R74HE-NE 84.483 6.447 Q75H-N 118.394 6.896 Q75HE21-NE2 110.851 6.508 Q75HE22-NE2 110.851 7.399 K77H-N 117.869 7.989 I78H-N 126.255 7.835 T79H-N 116.45 8.166 R80H-N 123.953 7.541 R80HE-NE 81.113 7.51 T81H-N 113.72 9.0 K82H-N 122.598 8.871 E83H-N 118.267 8.52 E84H-N 121.75 7.923 A85H-N 122.063 8.639 L86H-N 120.16 8.16 E87H-N 119.312 7.671 L88H-N 121.289 7.753 I89H-N 120.23 8.016 N90H-N 118.894 8.689 N90HD21-ND2 109.638 7.248 N90HD22-ND2 109.638 6.565 G91H-N 110.131 7.941 Y92H-N 123.155 8.109 I93H-N 118.884 8.603 Q94H-N 117.499 7.761 Q94HE21-NE2 111.841 6.871 Q94HE22-NE2 111.841 7.446 K95H-N 120.253 8.062 I96H-N 120.042 8.151 K97H-N 120.977 9.012 S98H-N 111.532 8.131 G99H-N 110.34 7.802 E100H-N 121.806 8.243 E101H-N 114.32 7.364 D102H-N 118.561 8.324 F103H-N 122.329 9.064 E104H-N 116.545 8.964 S105H-N 115.888 8.034 L106H-N 120.825 7.655 A107H-N 122.59 8.775 S108H-N 108.561 7.689 Q109H-N 115.2 6.879 Q109HE21-NE2 110.949 6.946 Q109HE22-NE2 110.949 6.702 F110H-N 112.662 8.115 S111H-N 111.428 7.84 D112H-N 125.023 9.92 C113H-N 123.487 8.126 S114H-N 127.504 8.788 S115H-N 124.114 10.137 A116H-N 132.155 8.566 K117H-N 114.194 7.093 A118H-N 124.264 7.733 R119H-N 115.262 8.053 R119HE-NE 84.231 7.308 G120H-N 103.503 8.302 D121H-N 118.745 7.123 L122H-N 125.544 8.75 G123H-N 107.711 8.162 A124H-N 119.199 8.044 F125H-N 117.345 8.769 S126H-N 113.974 8.583 R127H-N 121.694 8.851 R127HE-NE 85.4 7.458 G128H-N 112.611 10.152 Q129H-N 118.364 7.78 Q129HE21-NE2 111.946 7.53 Q129HE22-NE2 111.946 7.001 M130H-N 117.882 8.994 Q131H-N 117.995 8.15 Q131HE21-NE2 112.758 7.14 Q131HE22-NE2 112.758 7.592 K132H-N 124.801 9.012 F134H-N 117.013 7.227 E135H-N 122.576 8.689 D136H-N 118.697 9.322 A137H-N 118.907 7.093 S138H-N 113.541 7.815 F139H-N 114.989 8.245 A140H-N 119.213 6.988 L141H-N 119.907 6.899 R142H-N 122.127 8.859 R142HE-NE 85.031 7.204 T143H-N 117.049 8.477 G144H-N 115.757 8.912 E145H-N 122.154 8.147 M146H-N 122.952 8.207 S147H-N 123.578 9.693 G148H-N 103.226 7.755 V150H-N 127.567 9.235 F151H-N 127.782 9.081 T152H-N 113.025 9.032 D153H-N 117.872 9.064 S154H-N 115.277 8.927 G155H-N 110.51 7.687 I156H-N 123.074 8.247 H157H-N 124.606 9.905 I158H-N 115.788 8.507 I159H-N 125.72 8.844 L160H-N 128.88 8.813 R161H-N 127.405 8.088 R161HE-NE 88.324 7.778 T162H-N 121.059 9.073 E163H-N 126.261 7.957 V10H-N 121.396 8.134 I11H-N 124.527 8.157 F19H-N 120.063 8.073 F22H-N 120.07 8.063 F24H-N 118.984 6.963